data_2koh_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 2koh _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 ' 585' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 . . . . . 0 N--CA 1.439 -0.979 0 N-CA-C 109.113 -0.699 . . . . 65.25 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -102.33 122.77 44.91 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.928 -0.397 . . . . 63.340000000000003 109.928 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.46 HD12 HH22 ' A' ' 637' ' ' ARG . 92.0 mt -112.16 137.12 50.69 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 108.828 -0.804 . . . . 63.439999999999998 108.828 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.4 m -112.29 121.88 46.14 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 115.527 -0.76 . . . . 73.140000000000001 109.804 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 636' ' ' LEU . 39.3 m-85 -109.37 138.16 46.13 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.357 -0.608 . . . . 73.209999999999994 109.357 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.88 118.87 33.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.877 -0.786 . . . . 71.329999999999998 108.877 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.442 ' HB ' HG21 ' A' ' 676' ' ' ILE . 96.8 t -116.63 116.72 38.58 Favored Pre-proline 0 C--N 1.277 -2.58 0 CA-C-N 115.195 -0.911 . . . . 74.409999999999997 109.123 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.8 145.2 22.55 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.153 1.236 . . . . 54.329999999999998 110.364 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.34 69.44 6.79 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.155 0.979 . . . . 73.200000000000003 110.217 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -106.47 -68.13 0.9 Allowed 'General case' 0 CA--C 1.485 -1.557 0 CA-C-N 113.929 -1.487 . . . . 74.329999999999998 108.105 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.27 71.99 10.78 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 106.282 -1.747 . . . . 74.219999999999999 106.282 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 28.0 t -135.19 129.6 34.01 Favored 'General case' 1 N--CA 1.379 -4.012 0 CA-C-N 112.996 -1.911 . . . . 73.349999999999994 106.085 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 133.57 -30.91 2.93 Favored Glycine 1 C--N 1.239 -4.818 0 N-CA-C 107.338 -2.305 . . . . 71.439999999999998 107.338 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 13.2 m -63.27 -37.95 89.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.614 -1.624 . . . . 62.539999999999999 106.614 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -166.02 -177.2 4.09 Favored 'General case' 0 N--CA 1.404 -2.761 0 N-CA-C 102.194 -3.261 . . . . 54.439999999999998 102.194 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -72.84 -60.46 3.92 Favored Glycine 0 C--N 1.284 -2.329 0 N-CA-C 109.147 -1.581 . . . . 63.450000000000003 109.147 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 630' ' ' ALA . 10.3 mp -118.83 -33.85 4.11 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 123.562 0.745 . . . . 62.119999999999997 109.525 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 96.31 41.27 3.74 Favored Glycine 0 N--CA 1.399 -3.785 0 CA-C-N 115.042 -0.981 . . . . 43.130000000000003 110.673 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.31 151.2 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 107.313 -1.366 . . . . 62.399999999999999 107.313 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.0 m -114.9 130.85 56.98 Favored 'General case' 0 N--CA 1.403 -2.784 0 N-CA-C 107.318 -1.364 . . . . 73.349999999999994 107.318 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 642' ' ' LEU . 4.2 m -124.93 159.23 31.85 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 116.082 -0.508 . . . . 62.100000000000001 110.894 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -149.82 153.1 36.23 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 109.135 -0.691 . . . . 62.539999999999999 109.135 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.63 145.38 16.84 Favored Glycine 0 C--N 1.293 -1.826 0 C-N-CA 119.532 -1.318 . . . . 61.119999999999997 111.301 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -123.18 154.72 38.33 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.816 -0.809 . . . . 60.310000000000002 108.816 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.8 mtt85 -122.21 142.79 50.07 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 109.955 -0.387 . . . . 72.420000000000002 109.955 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.422 -1.849 0 N-CA-C 106.688 -1.597 . . . . 64.209999999999994 106.688 172.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -1.821 0 N-CA-C 107.836 -1.172 . . . . 72.239999999999995 107.836 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.5 p-10 -69.9 149.24 48.04 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.415 0.626 . . . . 70.439999999999998 111.928 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -96.15 -8.38 33.36 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.125 -1.065 . . . . 64.299999999999997 108.125 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.78 -173.93 25.11 Favored Glycine 0 N--CA 1.429 -1.802 0 CA-C-N 114.605 -1.18 . . . . 73.5 112.029 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.95 131.8 40.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 109.519 -0.549 . . . . 62.329999999999998 109.519 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.5 m-85 -127.09 151.8 48.14 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.346 -0.388 . . . . 75.349999999999994 110.231 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.418 ' HA ' HG11 ' A' ' 605' ' ' VAL . 48.2 t -71.41 138.41 21.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.253 -0.647 . . . . 72.109999999999999 109.253 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.486 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -114.49 -41.32 3.46 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 116.326 -0.397 . . . . 71.219999999999999 111.338 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 42.8 t -148.94 138.4 21.76 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.641 -0.503 . . . . 74.299999999999997 109.641 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.58 130.04 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 N-CA-C 108.32 -0.993 . . . . 63.439999999999998 108.32 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 80.5 mt -89.76 112.33 24.39 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 N-CA-C 107.336 -1.357 . . . . 62.009999999999998 107.336 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -81.32 78.68 8.07 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 122.285 1.04 . . . . 73.230000000000004 109.741 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 165.14 48.4 0.02 OUTLIER Glycine 0 N--CA 1.415 -2.704 0 N-CA-C 108.509 -1.837 . . . . 71.239999999999995 108.509 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 632' ' ' LYS . . . -159.92 147.99 15.87 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.274 -1.53 . . . . 70.439999999999998 109.274 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.73 61.37 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 114.299 1.222 . . . . 74.099999999999994 114.299 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -64.61 -30.77 71.79 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 121.301 0.572 . . . . 55.549999999999997 111.243 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.2 t -76.77 -48.22 19.33 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.228 -0.896 . . . . 72.329999999999998 108.827 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 628' ' ' GLY . 53.5 mtpt -64.21 -52.46 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.511 -0.768 . . . . 72.120000000000005 111.044 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -80.77 -52.35 7.62 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 112.463 0.542 . . . . 75.230000000000004 112.463 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -74.12 -42.41 36.36 Favored Glycine 0 CA--C 1.507 -0.433 0 CA-C-N 115.64 -0.709 . . . . 70.209999999999994 114.678 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 63.25 32.48 14.85 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.908 0.354 . . . . 71.409999999999997 111.641 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' A' ' 589' ' ' PHE 0.309 0.7 OUTLIER -68.86 171.2 8.29 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.227 1.195 . . . . 73.0 114.227 178.506 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.675 ' NH2' ' HB2' ' A' ' 682' ' ' ARG . 8.8 ptt-85 -114.12 172.17 7.16 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 113.348 0.87 . . . . 72.099999999999994 113.348 -169.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 79.1 t -83.67 141.5 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.488 -1.233 . . . . 74.319999999999993 109.878 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 67.91 24.85 7.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.888 1.675 . . . . 74.400000000000006 111.508 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.821 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 12.4 t70 -80.33 154.11 27.98 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.443 -1.688 . . . . 54.149999999999999 106.443 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.07 115.72 31.15 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.264 -0.643 . . . . 72.329999999999998 109.264 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.6 mp -74.74 120.04 19.74 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.401 0.62 . . . . 50.149999999999999 112.513 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 44.9 mm -95.47 -56.13 5.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 115.297 -0.865 . . . . 72.239999999999995 111.331 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.34 155.09 43.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.871 -0.604 . . . . 74.340000000000003 111.826 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.427 HG22 ' CD1' ' A' ' 678' ' ' LEU . 15.0 p -135.17 128.03 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 115.705 -0.68 . . . . 74.510000000000005 109.311 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 84.1 m-20 51.63 30.79 6.97 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.649 0.981 . . . . 63.43 113.649 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 90.63 -15.39 60.48 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.812 -0.709 . . . . 60.229999999999997 113.37 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.7 127.11 36.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.32 -0.992 . . . . 62.020000000000003 108.32 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 50.8 m -93.7 140.55 29.51 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 112.782 0.66 . . . . 72.319999999999993 112.782 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 658' ' ' ALA . 0.9 OUTLIER -112.71 -3.71 14.2 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 116.011 -0.541 . . . . 72.109999999999999 111.246 175.01 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.05 93.91 0.22 Allowed 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.863 -0.792 . . . . 70.329999999999998 108.863 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 142.27 -25.91 2.32 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 115.723 -0.671 . . . . 64.400000000000006 112.113 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -98.65 152.68 19.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.232 -0.284 . . . . 71.140000000000001 110.232 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.52 167.22 9.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.211 0.449 . . . . 44.310000000000002 112.211 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.32 -47.28 81.95 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.283 0.845 . . . . 75.450000000000003 113.283 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.621 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -68.45 -30.63 69.54 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 121.035 -0.266 . . . . 74.230000000000004 110.639 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.33 -47.32 64.76 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.252 -1.018 . . . . 72.319999999999993 108.252 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -56.21 -43.72 78.83 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.578 -1.646 . . . . 74.239999999999995 111.066 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.532 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 63.0 mtt -60.71 -42.32 97.0 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.386 0.429 . . . . 73.329999999999998 111.769 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -61.51 -45.67 93.2 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.931 -0.308 . . . . 75.319999999999993 110.821 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.4 m -59.02 -43.5 91.6 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 110.143 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 666' ' ' MET . 97.7 mt -63.33 -56.51 15.83 Favored 'General case' 0 C--O 1.204 -1.325 0 CA-C-N 116.411 -0.359 . . . . 71.209999999999994 110.73 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 659' ' ' MET . 75.3 mtp180 -55.13 -39.93 69.96 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.457 0.646 . . . . 71.129999999999995 110.989 -175.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -74.66 -51.37 14.58 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.427 -0.806 . . . . 72.120000000000005 111.448 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 -31.9 51.79 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 113.255 0.835 . . . . 54.030000000000001 113.255 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.52 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 4.3 ppp? -68.29 -33.97 75.31 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.305 -0.558 . . . . 64.430000000000007 110.684 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.6 t -92.54 -56.59 2.97 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.961 -0.563 . . . . 72.329999999999998 110.375 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 71.9 m -65.84 -41.78 91.32 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.225 0.454 . . . . 73.310000000000002 112.225 -172.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -93.3 -18.63 22.22 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.618 -0.833 . . . . 62.140000000000001 110.849 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.6 -55.16 18.86 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.438 -0.665 . . . . 73.329999999999998 111.438 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -73.71 -13.0 60.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.468 0.651 . . . . 72.120000000000005 110.672 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -75.43 -54.62 6.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.354 -0.839 . . . . 74.239999999999995 109.383 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -70.0 -37.29 75.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 73.340000000000003 109.671 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.3 42.55 Favored Glycine 0 CA--C 1.501 -0.82 0 N-CA-C 110.012 -1.235 . . . . 60.020000000000003 110.012 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.0 ptm -145.66 144.92 30.7 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.667 -1.235 . . . . 72.230000000000004 107.667 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.442 HG21 ' HB ' ' A' ' 591' ' ' VAL . 9.4 tt -110.45 136.7 45.64 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-O 121.676 0.751 . . . . 64.140000000000001 110.293 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.05 129.54 51.7 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.884 -1.053 . . . . 72.400000000000006 109.996 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.2 mm? -124.7 125.25 43.78 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.082 -0.71 . . . . 73.230000000000004 109.082 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.65 117.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.614 -1.254 . . . . 74.010000000000005 107.614 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.821 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.3 m -122.94 152.82 27.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 115.925 -0.58 . . . . 52.200000000000003 109.707 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -113.63 134.31 54.8 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.872 0.844 . . . . 37.020000000000003 112.869 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.675 ' HB2' ' NH2' ' A' ' 637' ' ' ARG . 8.1 tpt180 . . . . . 0 C--N 1.293 -1.88 0 CA-C-N 114.25 -1.341 . . . . 71.329999999999998 108.463 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 122.343 1.068 . . . . 74.549999999999997 111.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.486 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.6 mt-10 -106.49 150.24 26.29 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 113.6 -1.637 . . . . 72.409999999999997 109.298 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.67 131.14 26.99 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 105.924 -1.88 . . . . 74.420000000000002 105.924 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . 0.407 ' N ' HD13 ' B' ' 783' ' ' ILE . 2.5 mp -108.26 126.41 64.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 120.326 -0.549 . . . . 74.230000000000004 109.895 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.52 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 29.0 pt . . . . . 0 N--CA 1.408 -2.544 0 CA-C-O 118.232 -0.889 . . . . 73.230000000000004 109.055 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.485 -1.532 0 N-CA-C 109.465 -0.569 . . . . 75.420000000000002 109.465 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-N 115.537 -0.756 . . . . 73.209999999999994 109.04 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 84.9 mt -123.37 146.24 48.12 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 108.286 -1.005 . . . . 71.120000000000005 108.286 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 26.6 m -111.15 121.89 46.46 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.515 -0.766 . . . . 71.120000000000005 110.323 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.74 137.76 47.99 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 115.72 -0.673 . . . . 73.299999999999997 109.717 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . 0.419 ' HG2' ' OE1' ' A' ' 677' ' ' GLN . 35.5 mt-10 -109.92 128.02 55.11 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.476 -0.564 . . . . 62.329999999999998 109.476 -177.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.406 ' HB ' HG21 ' A' ' 676' ' ' ILE . 59.0 t -128.9 116.76 19.2 Favored Pre-proline 0 C--N 1.294 -1.806 0 N-CA-C 108.386 -0.968 . . . . 63.020000000000003 108.386 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.1 Cg_endo -83.62 148.79 12.67 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.533 1.489 . . . . 72.030000000000001 111.724 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.41 73.32 3.99 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.826 0.822 . . . . 75.450000000000003 111.133 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -119.88 -74.88 0.59 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.488 -1.233 . . . . 72.510000000000005 108.796 175.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.64 -3.52 59.05 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.834 1.302 . . . . 74.530000000000001 107.637 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.507 ' OG ' ' HA ' ' A' ' 601' ' ' LEU . 44.6 t -102.37 124.1 47.34 Favored 'General case' 0 N--CA 1.405 -2.702 0 N-CA-C 103.251 -2.87 . . . . 74.019999999999996 103.251 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.18 10.83 Favored Glycine 1 C--N 1.243 -4.605 0 N-CA-C 107.445 -2.262 . . . . 73.329999999999998 107.445 -172.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 41.0 m -69.63 -25.06 63.75 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.403 -0.899 . . . . 62.329999999999998 108.646 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -135.44 -67.28 0.54 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.319 -1.734 . . . . 65.310000000000002 106.319 168.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -157.0 -71.96 0.01 OUTLIER Glycine 0 C--N 1.277 -2.732 0 N-CA-C 106.253 -2.739 . . . . 72.400000000000006 106.253 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.507 ' HA ' ' OG ' ' A' ' 596' ' ' SER . 11.0 mp -125.44 -41.74 2.01 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 124.526 1.13 . . . . 62.530000000000001 108.39 170.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 104.42 48.7 1.1 Allowed Glycine 1 N--CA 1.391 -4.364 0 N-CA-C 108.867 -1.693 . . . . 75.239999999999995 108.867 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.3 t -136.94 153.49 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 N-CA-C 107.032 -1.47 . . . . 72.239999999999995 107.032 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 29.2 m -115.68 135.05 54.43 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 107.913 -1.143 . . . . 64.129999999999995 107.913 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' A' ' 642' ' ' LEU . 9.4 m -124.89 164.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 CA-C-N 116.168 -0.469 . . . . 73.230000000000004 111.103 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.475 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.68 152.63 35.66 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.784 -0.644 . . . . 64.099999999999994 110.666 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -106.77 134.42 12.16 Favored Glycine 0 C--N 1.293 -1.837 0 C-N-CA 120.195 -1.002 . . . . 42.439999999999998 112.025 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.14 144.64 42.31 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.044 -0.724 . . . . 64.430000000000007 109.044 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 30.2 ttt180 -134.42 128.79 34.25 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 116.55 -0.295 . . . . 75.109999999999999 110.688 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.297 -1.717 0 N-CA-C 108.99 -0.744 . . . . 70.310000000000002 108.99 176.298 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 108.316 -0.994 . . . . 72.329999999999998 108.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.4 p30 -88.06 154.43 20.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.424 -0.91 . . . . 74.349999999999994 112.186 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.12 -5.91 46.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.344 -0.844 . . . . 65.040000000000006 110.871 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.19 -154.31 18.11 Favored Glycine 0 C--N 1.304 -1.229 0 C-N-CA 120.451 -0.88 . . . . 70.109999999999999 112.838 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.7 126.85 72.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.26 -0.645 . . . . 75.120000000000005 109.26 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -119.1 149.11 42.25 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 122.791 0.436 . . . . 74.219999999999999 110.165 -177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.452 ' HA ' HG11 ' A' ' 605' ' ' VAL . 64.0 t -70.39 139.79 19.53 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 N-CA-C 109.568 -0.531 . . . . 74.430000000000007 109.568 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.21 -42.73 3.14 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 122.042 -0.411 . . . . 63.030000000000001 111.178 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 37.6 t -149.12 138.56 21.66 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.608 -0.516 . . . . 62.009999999999998 109.608 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -97.91 128.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.439 -0.948 . . . . 71.439999999999998 108.439 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.03 113.48 25.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 109.511 -0.552 . . . . 50.140000000000001 109.511 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -70.07 123.8 22.5 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.605 -0.725 . . . . 55.520000000000003 109.3 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 126.56 -22.56 5.83 Favored Glycine 0 C--N 1.3 -1.466 0 N-CA-C 110.647 -0.981 . . . . 72.400000000000006 110.647 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -88.41 164.0 33.02 Favored Glycine 0 N--CA 1.436 -1.318 0 N-CA-C 110.192 -1.163 . . . . 75.450000000000003 110.192 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.16 -29.01 67.79 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 117.771 0.785 . . . . 64.120000000000005 110.819 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -66.07 -24.25 66.68 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 116.044 -0.526 . . . . 73.140000000000001 110.977 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -72.77 -52.33 15.46 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.527 -1.269 . . . . 70.540000000000006 109.839 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER -75.88 -49.94 16.45 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.003 1.483 . . . . 53.340000000000003 115.003 -179.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.91 -39.62 29.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.749 0.648 . . . . 63.329999999999998 112.749 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -66.98 -43.81 90.31 Favored Glycine 0 C--O 1.207 -1.582 0 C-N-CA 120.542 -0.837 . . . . 74.319999999999993 113.356 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 57.43 27.21 13.58 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 117.543 0.671 . . . . 74.129999999999995 111.478 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.09 161.57 3.02 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 113.9 1.074 . . . . 73.219999999999999 113.9 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.616 ' O ' ' HB ' ' A' ' 638' ' ' VAL . 19.0 ttm-85 -99.75 -42.65 6.75 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 117.025 2.232 . . . . 62.039999999999999 117.025 -166.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 54.8 t 94.43 129.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 126.583 1.953 . . . . 72.140000000000001 109.483 -169.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 71.82 13.17 6.15 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.191 1.797 . . . . 61.119999999999997 109.875 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.04 144.15 26.35 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.523 -0.762 . . . . 62.509999999999998 110.328 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -87.59 127.47 35.27 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.138 -0.937 . . . . 54.5 112.684 -170.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.8 mp -81.61 118.42 22.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.325 0.583 . . . . 73.209999999999994 110.403 178.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.9 mm -100.36 -57.37 4.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.404 -0.816 . . . . 75.150000000000006 111.406 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.45 148.97 48.0 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.371 -0.377 . . . . 60.240000000000002 110.402 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.442 HG22 ' CD1' ' A' ' 678' ' ' LEU . 9.2 p -135.87 131.7 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 CA-C-O 120.875 0.369 . . . . 65.329999999999998 110.289 -176.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.48 14.3 7.88 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.263 1.025 . . . . 62.299999999999997 111.857 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.45 -1.21 64.05 Favored Glycine 0 N--CA 1.437 -1.281 0 C-N-CA 120.894 -0.669 . . . . 73.319999999999993 111.581 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -103.43 134.7 46.36 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.108 -0.701 . . . . 64.109999999999999 109.108 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 60.2 m -90.92 141.63 28.63 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.978 -0.555 . . . . 75.030000000000001 111.262 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 650' ' ' LEU . 1.2 pt? -133.98 7.61 3.73 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 111.974 0.361 . . . . 64.150000000000006 111.974 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.63 101.32 2.02 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.337 -1.357 . . . . 71.030000000000001 107.337 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.37 -25.97 0.6 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.395 -0.82 . . . . 61.149999999999999 111.433 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . 0.502 ' HZ2' ' HB3' ' A' ' 653' ' ' LYS . 0.7 OUTLIER -94.53 171.06 9.03 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.231 -0.285 . . . . 71.019999999999996 110.231 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.35 171.82 14.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.496 0.554 . . . . 74.409999999999997 112.496 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -50.01 -47.8 52.84 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 123.891 0.876 . . . . 72.239999999999995 110.497 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.09 -45.28 89.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.271 . . . . 74.200000000000003 111.163 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.1 -39.32 75.58 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.287 -0.87 . . . . 75.450000000000003 110.004 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -58.75 -46.21 87.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.008 -0.996 . . . . 71.129999999999995 111.431 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.09 -35.19 80.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.486 -0.485 . . . . 71.439999999999998 112.173 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.96 -44.22 96.64 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.439 -0.578 . . . . 62.439999999999998 109.439 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 77.1 m -63.94 -48.38 76.77 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.69 -0.686 . . . . 74.019999999999996 110.149 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 658' ' ' ALA . 96.0 mt -56.03 -55.98 26.32 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.678 -0.237 . . . . 74.450000000000003 111.595 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -61.82 -33.61 74.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.095 0.474 . . . . 74.450000000000003 111.486 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.36 -45.86 30.09 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.054 -0.521 . . . . 75.310000000000002 111.473 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.0 m -70.48 -35.47 73.28 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 120.596 -0.441 . . . . 72.019999999999996 110.459 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.566 ' SD ' HG22 ' B' ' 784' ' ' ILE . 23.9 ptm -70.8 -28.43 64.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.913 0.387 . . . . 73.430000000000007 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 48.3 t -87.87 -54.38 4.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 116.119 -0.491 . . . . 73.340000000000003 110.085 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 88.1 m -71.42 -54.78 9.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.033 -0.531 . . . . 72.200000000000003 111.922 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 29.7 mm-40 -81.53 -29.31 33.59 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.52 -0.309 . . . . 55.340000000000003 110.886 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.35 -59.31 11.03 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 116.378 -0.374 . . . . 71.299999999999997 112.609 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -66.52 -23.06 66.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.384 0.611 . . . . 75.010000000000005 110.225 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 672' ' ' LYS . 0.4 OUTLIER -72.56 -49.08 34.96 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.005 -0.543 . . . . 75.530000000000001 111.249 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 29.2 mmt180 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.748 0.308 . . . . 71.430000000000007 110.734 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.99 -10.74 67.13 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.284 -1.126 . . . . 43.229999999999997 110.284 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' MET . . . . . 0.428 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.1 ptm -148.66 151.23 34.59 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.446 0.698 . . . . 43.030000000000001 109.257 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.487 HD13 HD11 ' A' ' 601' ' ' LEU . 13.8 tt -111.85 134.05 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.086 0 N-CA-C 107.972 -1.122 . . . . 63.43 107.972 177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . 0.419 ' OE1' ' HG2' ' A' ' 590' ' ' GLU . 5.4 tp-100 -106.19 130.41 54.07 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.239 -1.393 . . . . 64.430000000000007 107.239 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.442 ' CD1' HG22 ' A' ' 645' ' ' VAL . 1.3 mm? -124.44 125.44 44.28 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.817 -0.753 . . . . 74.25 111.05 -177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.4 mp -107.44 121.88 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.128 -1.434 . . . . 75.099999999999994 107.128 172.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.37 161.15 25.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 N-CA-C 109.56 -0.533 . . . . 74.010000000000005 109.56 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -110.4 124.54 51.92 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.716 -1.216 . . . . 61.420000000000002 107.716 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.583 0 CA-C-N 115.594 -0.73 . . . . 75.239999999999995 111.033 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 N--CA 1.418 -2.063 0 N-CA-C 113.187 0.81 . . . . 62.119999999999997 113.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 40.6 mt-10 -116.22 131.43 56.95 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 113.426 -1.716 . . . . 61.310000000000002 107.862 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.1 tp -129.61 129.08 43.91 Favored 'General case' 0 N--CA 1.404 -2.772 0 CA-C-N 115.811 -0.631 . . . . 72.239999999999995 110.273 -177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.63 122.5 47.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 109.308 -0.627 . . . . 73.109999999999999 109.308 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.566 HG22 ' SD ' ' A' ' 666' ' ' MET . 26.4 pt . . . . . 0 N--CA 1.401 -2.889 0 N-CA-C 108.136 -1.061 . . . . 74.140000000000001 108.136 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 16.9 pt-20 . . . . . 0 N--CA 1.44 -0.971 0 CA-C-O 120.727 0.298 . . . . 74.349999999999994 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . 0.474 ' CE2' HG22 ' A' ' 643' ' ' ILE . 4.1 m-30 -91.8 128.49 37.65 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.459 -0.792 . . . . 73.430000000000007 109.58 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.73 131.44 51.34 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.313 -0.995 . . . . 74.510000000000005 108.313 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 29.9 m -101.41 124.14 46.61 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.276 -0.874 . . . . 65.239999999999995 110.844 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -118.86 130.18 55.61 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.953 -0.567 . . . . 72.049999999999997 109.489 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.94 135.34 48.67 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 120.977 0.417 . . . . 75.430000000000007 110.149 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.458 ' HB ' HG21 ' A' ' 676' ' ' ILE . 61.0 t -125.14 117.82 25.47 Favored Pre-proline 0 C--N 1.291 -1.949 0 N-CA-C 108.549 -0.908 . . . . 72.040000000000006 108.549 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -79.27 147.04 20.21 Favored 'Trans proline' 0 N--CA 1.427 -2.42 0 N-CA-C 108.895 -1.233 . . . . 53.32 108.895 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.42 80.16 4.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 122.064 0.935 . . . . 75.109999999999999 109.691 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 596' ' ' SER . 13.3 m120 -122.83 119.54 30.85 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 114.258 -1.337 . . . . 74.349999999999994 111.063 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 t70 71.59 -11.38 0.73 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.52 1.528 . . . . 53.140000000000001 111.457 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 594' ' ' ASN . 20.3 m -82.06 102.41 10.99 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 115.025 -0.989 . . . . 50.450000000000003 108.87 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -131.54 -39.85 0.24 Allowed Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 109.367 -1.493 . . . . 55.439999999999998 109.367 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.1 m -72.99 -21.62 60.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.713 0.768 . . . . 73.540000000000006 109.381 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.88 43.36 Favored 'General case' 0 N--CA 1.395 -3.212 0 N-CA-C 105.493 -2.04 . . . . 74.420000000000002 105.493 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -76.91 -52.57 5.73 Favored Glycine 0 C--N 1.27 -3.13 0 N-CA-C 110.01 -1.236 . . . . 52.119999999999997 110.01 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.475 HD22 HG23 ' A' ' 676' ' ' ILE . 12.4 mt -113.81 -35.3 5.19 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.265 -1.013 . . . . 72.409999999999997 108.265 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.535 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.49 51.94 2.61 Favored Glycine 0 N--CA 1.401 -3.648 0 CA-C-N 114.378 -1.283 . . . . 36.939999999999998 110.505 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.5 t -140.2 152.0 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 N-CA-C 106.275 -1.75 . . . . 72.319999999999993 106.275 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 40.1 m -111.87 131.93 55.04 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.959 -1.497 . . . . 73.430000000000007 106.959 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 621' ' ' VAL . 4.2 m -124.76 164.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.688 0 CA-C-O 121.336 0.589 . . . . 71.120000000000005 112.027 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -149.1 152.34 35.99 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.828 -1.078 . . . . 65.549999999999997 109.747 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.37 122.19 5.74 Favored Glycine 0 C--N 1.276 -2.79 0 C-N-CA 120.546 -0.835 . . . . 62.229999999999997 111.26 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -94.41 138.84 31.87 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-O 121.474 0.654 . . . . 54.149999999999999 111.099 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 56.0 ttp180 -130.45 125.27 33.99 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 107.586 -1.264 . . . . 73.329999999999998 107.586 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.304 -1.387 0 O-C-N 123.835 0.709 . . . . 72.109999999999999 109.235 -179.195 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 108.712 -0.847 . . . . 61.420000000000002 108.712 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.6 p-10 -86.14 141.22 29.54 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 119.816 -0.754 . . . . 63.219999999999999 109.945 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.37 -12.45 40.35 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.296 -0.865 . . . . 74.400000000000006 109.52 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 108.81 -167.28 12.98 Favored Glycine 0 C--N 1.311 -0.823 0 CA-C-N 115.238 -0.892 . . . . 63.119999999999997 112.94 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -99.27 131.19 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.373 0.669 . . . . 64.319999999999993 109.94 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.545 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 87.2 m-85 -130.56 144.96 51.76 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.806 0.336 . . . . 75.0 110.567 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.435 ' HA ' HG11 ' A' ' 605' ' ' VAL . 84.7 t -65.82 131.83 31.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 CA-C-N 116.048 -0.524 . . . . 75.140000000000001 110.376 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -105.7 -38.06 6.53 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 120.942 0.401 . . . . 63.219999999999999 110.834 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.9 t -149.01 135.79 19.69 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 109.617 -0.512 . . . . 62.049999999999997 109.617 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.03 125.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.143 -1.058 . . . . 74.150000000000006 108.143 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -92.42 113.76 28.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.35 0.595 . . . . 64.329999999999998 109.758 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.15 114.14 15.64 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.009 -1.108 . . . . 62.409999999999997 108.009 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.17 -22.28 2.76 Favored Glycine 0 N--CA 1.427 -1.944 0 N-CA-C 110.355 -1.098 . . . . 75.129999999999995 110.355 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -89.47 156.1 25.54 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.723 -0.751 . . . . 71.329999999999998 111.866 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.41 74.09 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 111.723 0.268 . . . . 75.329999999999998 111.723 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.434 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -63.13 -27.24 69.24 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-O 121.304 0.573 . . . . 65.239999999999995 110.588 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.4 t -74.37 -54.82 6.86 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.049 -0.978 . . . . 74.549999999999997 109.766 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.367 0.0 OUTLIER -75.82 -35.2 60.1 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.582 1.697 . . . . 72.430000000000007 115.582 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 -47.14 19.28 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 112.403 0.52 . . . . 54.25 112.403 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.51 -43.06 5.63 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.06 -1.067 . . . . 74.0 114.976 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 61.75 82.96 0.16 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.758 -0.46 . . . . 73.400000000000006 109.758 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.34 177.93 4.73 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.102 -0.374 . . . . 75.340000000000003 111.539 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.544 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.0 OUTLIER -112.79 170.44 8.19 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.133 -0.692 . . . . 72.439999999999998 109.133 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.4 t -85.68 142.19 13.51 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 107.439 -1.319 . . . . 74.540000000000006 107.439 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 68.71 18.85 8.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.017 1.327 . . . . 73.140000000000001 109.578 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 37.0 t0 -70.68 137.63 49.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.635 -1.246 . . . . 75.030000000000001 107.635 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -86.49 113.05 22.1 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 123.819 0.847 . . . . 62.43 111.316 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.432 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.6 mp -80.37 121.79 26.14 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 120.969 0.414 . . . . 45.100000000000001 109.972 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.474 HG22 ' CE2' ' A' ' 586' ' ' PHE . 49.4 mm -101.4 -60.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.699 -0.682 . . . . 75.219999999999999 111.62 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -138.62 157.59 45.86 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.991 -0.55 . . . . 65.349999999999994 110.628 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.451 HG22 ' CD1' ' A' ' 678' ' ' LEU . 14.9 p -138.49 131.69 40.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 O-C-N 123.344 0.402 . . . . 75.010000000000005 109.92 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 86.5 m-20 52.45 29.57 7.17 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.52 0.933 . . . . 74.150000000000006 113.52 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.39 -8.7 78.05 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.9 -0.667 . . . . 51.149999999999999 113.098 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.45 130.37 34.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 106.63 -1.619 . . . . 74.439999999999998 106.63 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.6 t -89.12 111.52 22.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.605 0.716 . . . . 72.329999999999998 111.12 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 6.5 mp -92.87 -18.98 22.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 115.877 -0.602 . . . . 71.040000000000006 109.85 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.94 94.79 1.49 Allowed 'General case' 0 N--CA 1.428 -1.561 0 N-CA-C 108.208 -1.034 . . . . 71.549999999999997 108.208 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.98 -41.07 0.61 Allowed Glycine 0 C--N 1.287 -2.157 0 N-CA-C 108.902 -1.679 . . . . 71.129999999999995 108.902 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -88.26 166.53 14.26 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.576 -0.812 . . . . 73.25 109.716 173.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.14 160.65 29.54 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 123.328 0.392 . . . . 63.229999999999997 111.402 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.654 ' O ' ' HG3' ' A' ' 659' ' ' MET . 32.9 p30 -49.35 -46.48 47.09 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.166 0.802 . . . . 71.349999999999994 113.166 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.39 -46.87 79.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.418 0.628 . . . . 75.200000000000003 110.758 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.74 -42.31 95.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.315 -0.857 . . . . 74.319999999999993 108.857 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.61 77.18 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.75 -1.113 . . . . 65.200000000000003 110.971 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.2 mtp -61.58 -42.04 98.28 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.056 0.142 . . . . 70.209999999999994 110.797 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.02 -41.04 87.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.871 0.367 . . . . 65.230000000000004 110.611 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.4 m -66.02 -39.45 90.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.874 -0.417 . . . . 74.329999999999998 109.874 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.2 -52.54 65.25 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 124.125 0.97 . . . . 74.040000000000006 111.165 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 659' ' ' MET . 71.2 mtp180 -56.04 -49.08 74.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.714 0.634 . . . . 65.439999999999998 110.616 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -66.67 -43.22 85.11 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 115.683 -0.69 . . . . 73.340000000000003 111.771 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 42.4 m -70.38 -31.33 68.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 122.018 -0.426 . . . . 55.340000000000003 111.495 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.52 ' SD ' HG22 ' B' ' 784' ' ' ILE . 22.2 ptm -77.8 -35.47 51.41 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.216 -0.994 . . . . 74.129999999999995 110.358 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 34.4 t -76.54 -48.56 18.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 74.129999999999995 110.219 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 89.0 m -75.43 -50.62 15.25 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.24 -0.436 . . . . 74.25 112.127 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -86.82 -56.32 3.45 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.282 -0.967 . . . . 70.319999999999993 112.446 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -51.97 -59.13 9.12 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 114.086 0.394 . . . . 50.140000000000001 114.086 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -70.18 -4.9 23.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.495 0.924 . . . . 60.229999999999997 113.495 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -114.07 -28.16 7.43 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.34 -0.544 . . . . 75.230000000000004 111.781 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -76.24 -27.03 56.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.73 -0.841 . . . . 75.329999999999998 108.73 173.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 99.53 -20.73 48.42 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.734 -0.946 . . . . 75.319999999999993 110.734 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.7 ptp -146.45 153.66 40.7 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.161 0.505 . . . . 74.349999999999994 109.651 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.475 HG23 HD22 ' A' ' 601' ' ' LEU . 8.6 tt -122.21 144.49 31.34 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.707 0 CA-C-N 114.87 -1.059 . . . . 74.129999999999995 110.081 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -109.66 129.96 55.55 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.81 -0.441 . . . . 75.400000000000006 109.81 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 645' ' ' VAL . 1.5 mm? -122.99 128.59 50.41 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.876 -0.416 . . . . 54.43 109.876 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -108.4 118.23 55.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.21 -1.404 . . . . 75.109999999999999 107.21 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.413 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 24.0 m -123.15 158.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 123.283 0.365 . . . . 73.099999999999994 110.138 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -124.92 125.62 44.22 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.098 0.475 . . . . 61.439999999999998 110.717 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 . . . . . 0 C--N 1.301 -1.527 0 N-CA-C 108.794 -0.817 . . . . 64.140000000000001 108.794 178.539 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . 0.559 ' HB3' ' SD ' ' A' ' 659' ' ' MET . 7.9 mm-40 . . . . . 0 CA--C 1.49 -1.344 0 N-CA-C 113.362 0.875 . . . . 72.140000000000001 113.362 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.16 134.52 47.37 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 113.891 -1.504 . . . . 64.349999999999994 110.142 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 58.4 tp -136.9 131.61 33.35 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 116.074 -0.512 . . . . 73.030000000000001 109.973 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -98.02 121.73 48.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 107.644 -1.243 . . . . 72.150000000000006 107.644 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.52 HG22 ' SD ' ' A' ' 666' ' ' MET . 11.0 pt . . . . . 0 N--CA 1.411 -2.392 0 CA-C-O 117.84 -1.076 . . . . 73.120000000000005 110.455 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.244 0.797 0 N-CA-C 109.267 -0.642 . . . . 73.239999999999995 109.267 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . 0.471 ' CE2' HG22 ' A' ' 643' ' ' ILE . 3.2 m-30 -102.66 122.34 44.24 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.314 0.383 . . . . 74.209999999999994 110.697 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 146.32 32.1 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.191 -0.67 . . . . 64.209999999999994 109.191 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 24.6 m -110.68 121.28 44.94 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.508 -0.923 . . . . 64.409999999999997 108.508 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.53 127.63 53.81 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.374 -0.375 . . . . 72.510000000000005 110.045 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.34 119.31 38.42 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.417 -0.957 . . . . 63.520000000000003 108.417 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.97 117.19 37.39 Favored Pre-proline 0 C--N 1.283 -2.292 0 CA-C-N 115.257 -0.883 . . . . 74.519999999999996 109.697 -171.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -78.09 148.46 24.56 Favored 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.494 1.463 . . . . 64.030000000000001 110.465 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.57 73.23 3.28 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 122.577 1.179 . . . . 74.150000000000006 110.132 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -107.99 -67.33 0.97 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 113.634 -1.621 . . . . 74.340000000000003 107.919 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.492 ' HB2' ' N ' ' A' ' 629' ' ' ALA . 5.3 m-20 -86.08 73.39 10.27 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 122.526 1.155 . . . . 73.450000000000003 108.309 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 41.0 t -143.24 135.13 26.75 Favored 'General case' 0 N--CA 1.384 -3.761 0 CA-C-N 112.7 -2.045 . . . . 73.329999999999998 106.869 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 164.55 -45.93 0.3 Allowed Glycine 1 C--N 1.25 -4.235 0 N-CA-C 109.551 -1.42 . . . . 60.039999999999999 109.551 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 29.1 t -81.34 -32.05 33.17 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 107.954 -1.128 . . . . 72.239999999999995 107.954 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -148.49 -175.32 4.88 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 106.26 -1.756 . . . . 75.450000000000003 106.26 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -91.77 -60.31 1.28 Allowed Glycine 0 C--N 1.267 -3.26 0 N-CA-C 109.872 -1.291 . . . . 73.230000000000004 109.872 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.52 ' CD1' ' HE2' ' A' ' 666' ' ' MET . 6.9 mp -108.39 -28.05 9.61 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.19 -0.67 . . . . 61.539999999999999 109.19 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.478 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 82.52 49.9 4.97 Favored Glycine 1 N--CA 1.391 -4.331 0 N-CA-C 109.288 -1.525 . . . . 37.630000000000003 109.288 -178.618 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.11 151.56 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.108 0 N-CA-C 106.939 -1.504 . . . . 75.430000000000007 106.939 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 45.3 m -114.63 132.57 56.32 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 107.225 -1.398 . . . . 64.030000000000001 107.225 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' A' ' 621' ' ' VAL . 2.0 m -124.2 162.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.117 0 CA-C-N 115.585 -0.734 . . . . 64.230000000000004 111.209 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -150.23 153.51 36.34 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.081 -0.963 . . . . 60.310000000000002 109.078 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.47 152.47 17.21 Favored Glycine 0 C--N 1.267 -3.252 0 C-N-CA 119.605 -1.283 . . . . 70.200000000000003 111.216 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.521 HD21 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -123.36 130.36 52.61 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.986 -1.487 . . . . 74.409999999999997 106.986 179.149 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.521 ' N ' HD21 ' A' ' 608' ' ' ASN . 48.8 ttp180 -127.73 138.72 52.87 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.734 -0.469 . . . . 64.120000000000005 109.734 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.307 -1.272 0 CA-C-N 115.549 -0.75 . . . . 53.229999999999997 111.972 -178.161 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.543 0 N-CA-C 109.581 -0.525 . . . . 64.219999999999999 109.581 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.28 143.37 29.59 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.4 -1.333 . . . . 62.210000000000001 107.4 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.61 -15.79 38.69 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.808 -1.182 . . . . 74.310000000000002 107.808 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 114.21 -169.0 12.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.648 -1.16 . . . . 71.239999999999995 112.226 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . 0.408 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 48.5 mm -103.59 126.37 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.215 -1.032 . . . . 73.5 108.215 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -119.99 148.44 43.55 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 122.805 0.442 . . . . 74.430000000000007 110.053 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.446 ' HA ' HG11 ' A' ' 605' ' ' VAL . 73.9 t -68.67 130.91 33.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 109.708 -0.478 . . . . 71.310000000000002 109.708 173.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -105.87 -38.01 6.49 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 116.101 -0.499 . . . . 75.329999999999998 111.206 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.7 m -150.04 140.48 22.39 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.181 -0.463 . . . . 65.510000000000005 109.957 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.0 mp -104.11 129.26 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 108.725 -0.843 . . . . 73.450000000000003 108.725 177.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.3 mt -89.96 119.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 CA-C-N 115.9 -0.591 . . . . 63.109999999999999 109.653 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -79.07 90.6 4.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.133 -1.062 . . . . 73.120000000000005 108.133 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 160.94 33.3 0.02 OUTLIER Glycine 0 C--N 1.291 -1.955 0 N-CA-C 109.592 -1.403 . . . . 64.310000000000002 109.592 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 601' ' ' LEU . . . -148.9 150.6 22.77 Favored Glycine 0 N--CA 1.425 -2.092 0 N-CA-C 110.263 -1.135 . . . . 53.5 110.263 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . 0.492 ' N ' ' HB2' ' A' ' 595' ' ' ASP . . . -65.27 -29.93 70.75 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.199 0.444 . . . . 73.120000000000005 112.199 -176.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.89 64.54 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 121.242 0.544 . . . . 62.030000000000001 110.235 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 32.8 t -74.6 -52.42 11.82 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.379 -0.828 . . . . 74.219999999999999 109.667 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.19 -50.02 21.04 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.263 0.838 . . . . 73.219999999999999 113.263 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -80.28 -42.82 22.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.303 0.483 . . . . 71.140000000000001 112.303 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -87.58 -43.68 5.73 Favored Glycine 0 C--O 1.223 -0.532 0 C-N-CA 120.43 -0.89 . . . . 73.25 114.77 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 61.93 81.58 0.19 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.545 0.673 . . . . 74.230000000000004 112.056 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.83 171.65 8.17 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.755 -0.461 . . . . 75.109999999999999 109.755 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.567 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 0.4 OUTLIER -117.69 169.78 9.3 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.072 -0.651 . . . . 75.310000000000002 109.609 -175.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.99 144.14 10.68 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 107.054 -1.461 . . . . 75.140000000000001 107.054 171.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 59.2 t30 71.57 18.92 5.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.563 1.173 . . . . 75.420000000000002 109.044 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.434 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 52.1 t0 -84.59 129.48 34.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.205 -1.406 . . . . 70.209999999999994 107.205 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -89.4 122.69 32.86 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.198 0.444 . . . . 72.019999999999996 112.198 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.5 mp -81.94 114.19 20.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.688 -0.687 . . . . 72.109999999999999 110.229 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.471 HG22 ' CE2' ' A' ' 586' ' ' PHE . 45.1 mm -94.15 -55.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.497 -0.774 . . . . 74.230000000000004 111.088 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -140.58 146.0 37.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.305 -0.861 . . . . 37.630000000000003 110.515 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.71 130.67 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 CA-C-O 121.144 0.497 . . . . 54.140000000000001 110.083 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.403 ' ND2' HG13 ' A' ' 676' ' ' ILE . 18.6 m120 57.16 23.68 8.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.823 1.249 . . . . 53.340000000000003 111.903 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 92.2 6.19 65.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.897 -0.668 . . . . 60.119999999999997 113.355 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -117.95 126.85 53.12 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 122.134 -0.627 . . . . 72.239999999999995 109.614 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.8 m -78.35 146.35 34.72 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 120.769 0.319 . . . . 71.030000000000001 111.358 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.82 17.58 2.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.627 0.727 . . . . 75.310000000000002 109.871 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.5 -14.5 62.55 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.132 -0.94 . . . . 71.040000000000006 111.034 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -115.27 45.08 1.36 Allowed Glycine 0 N--CA 1.435 -1.386 0 C-N-CA 120.771 -0.728 . . . . 53.219999999999999 112.869 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.82 176.24 10.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 117.025 0.412 . . . . 75.140000000000001 110.787 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.87 165.58 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.174 0.589 . . . . 73.510000000000005 112.165 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -48.35 76.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.272 0.358 . . . . 75.140000000000001 111.198 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.44 -52.31 65.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 121.43 0.634 . . . . 63.329999999999998 111.315 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.02 -43.88 78.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 113.959 -1.473 . . . . 54.210000000000001 110.209 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.82 98.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.658 -0.701 . . . . 64.120000000000005 110.981 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.81 -41.07 96.07 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 120.65 0.262 . . . . 71.200000000000003 111.019 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -61.02 -44.53 97.28 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 108.788 -0.819 . . . . 65.239999999999995 108.788 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 94.0 m -61.33 -46.56 89.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.948 0.499 . . . . 53.439999999999998 110.918 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -57.43 -56.79 17.25 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 122.246 0.218 . . . . 65.239999999999995 111.323 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.57 -37.72 87.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 72.549999999999997 110.191 -176.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.62 -46.41 89.94 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 115.433 -0.803 . . . . 71.400000000000006 110.191 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.8 m -69.42 -33.6 73.21 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 116.489 -0.323 . . . . 60.409999999999997 110.866 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.1 mtp -69.89 -41.38 74.82 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.188 0.518 . . . . 74.439999999999998 109.971 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 21.8 t -77.67 -50.49 12.37 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.488 -0.778 . . . . 72.310000000000002 110.715 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.8 m -74.23 -49.97 21.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 112.227 0.455 . . . . 74.409999999999997 112.227 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -94.15 -44.4 8.02 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 112.931 0.715 . . . . 61.030000000000001 112.931 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.22 -56.72 22.8 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-O 120.129 -0.261 . . . . 51.340000000000003 113.391 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.88 -8.27 53.39 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.097 0.475 . . . . 71.310000000000002 111.679 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -90.87 -54.72 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.121 -0.49 . . . . 75.120000000000005 110.255 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -73.0 -28.85 62.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.903 -0.589 . . . . 64.450000000000003 111.077 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 95.44 -13.47 66.59 Favored Glycine 0 C--O 1.242 0.598 0 N-CA-C 110.499 -1.04 . . . . 73.209999999999994 110.499 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 20.6 ptp -147.31 145.09 29.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 123.629 0.772 . . . . 71.420000000000002 109.87 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.466 HD13 HD11 ' A' ' 601' ' ' LEU . 11.5 tt -112.44 135.03 53.1 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-N 115.044 -0.98 . . . . 63.200000000000003 110.566 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.87 132.6 50.91 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.025 -0.534 . . . . 72.230000000000004 110.488 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.457 ' N ' HD22 ' A' ' 678' ' ' LEU . 0.9 OUTLIER -127.26 127.84 45.04 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.393 -0.595 . . . . 74.109999999999999 109.393 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -106.01 115.9 48.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.872 -1.529 . . . . 70.530000000000001 106.872 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.434 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.4 m -123.72 152.77 29.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.971 0 CA-C-N 116.109 -0.496 . . . . 73.019999999999996 109.874 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.06 127.96 54.3 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.393 -0.367 . . . . 72.439999999999998 111.222 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.448 ' NH2' HH21 ' A' ' 637' ' ' ARG . 4.1 ptp180 . . . . . 0 C--N 1.312 -1.05 0 N-CA-C 107.534 -1.284 . . . . 43.350000000000001 107.534 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.653 0.264 . . . . 61.210000000000001 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -115.92 152.38 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.715 0.806 . . . . 71.299999999999997 110.088 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.74 135.02 20.57 Favored 'General case' 0 N--CA 1.421 -1.923 0 N-CA-C 107.538 -1.282 . . . . 74.109999999999999 107.538 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . 0.407 ' N ' HD13 ' B' ' 783' ' ' ILE . 2.5 mp -104.87 129.51 57.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.625 -0.88 . . . . 73.239999999999995 108.625 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 24.6 pt . . . . . 0 N--CA 1.423 -1.795 0 CA-C-O 117.715 -1.136 . . . . 72.299999999999997 111.265 -179.306 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.424 -1.725 0 N-CA-C 109.113 -0.699 . . . . 70.200000000000003 109.113 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.83 122.4 35.18 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 109.205 -0.665 . . . . 75.329999999999998 109.205 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 93.6 mt -112.28 131.27 55.6 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-O 120.992 0.425 . . . . 73.219999999999999 110.492 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 53.6 m -107.06 122.18 45.95 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-N 115.041 -0.981 . . . . 73.409999999999997 109.04 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -121.77 121.14 36.58 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.43 -0.35 . . . . 74.439999999999998 110.662 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.47 112.01 24.56 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.064 0.935 . . . . 74.040000000000006 108.609 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.03 118.96 51.43 Favored Pre-proline 0 C--N 1.278 -2.519 0 CA-C-N 113.712 -1.586 . . . . 74.030000000000001 109.925 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.74 148.2 41.08 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.567 1.512 . . . . 74.409999999999997 110.74 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.3 73.46 3.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.861 0.838 . . . . 74.439999999999998 108.991 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.73 -51.94 3.32 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.687 -1.142 . . . . 65.430000000000007 110.75 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.78 17.33 9.19 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 121.607 0.718 . . . . 74.400000000000006 109.434 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.701 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.1 t -73.6 116.72 14.52 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 114.888 -1.051 . . . . 75.150000000000006 110.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 177.67 -60.29 0.09 OUTLIER Glycine 1 C--N 1.254 -4.003 0 CA-C-N 113.139 -1.846 . . . . 52.439999999999998 109.697 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.4 p -77.61 -30.59 52.44 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.97 0.891 . . . . 62.130000000000003 109.415 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.701 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -152.6 170.13 20.96 Favored 'General case' 0 N--CA 1.402 -2.843 0 N-CA-C 104.064 -2.569 . . . . 64.450000000000003 104.064 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -88.95 -51.86 2.91 Favored Glycine 0 C--N 1.271 -3.08 0 N-CA-C 110.55 -1.02 . . . . 62.340000000000003 110.55 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 676' ' ' ILE . 6.2 mp -106.59 -36.3 6.79 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.612 -0.884 . . . . 74.200000000000003 108.612 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.596 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.17 49.12 3.37 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 109.924 -1.27 . . . . 65.329999999999998 109.924 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 11.7 t -134.81 152.32 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 N-CA-C 106.899 -1.519 . . . . 62.439999999999998 106.899 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 44.9 m -113.09 134.15 54.67 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.219 -1.03 . . . . 71.420000000000002 108.219 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' A' ' 621' ' ' VAL . 2.4 m -124.63 163.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 CA-C-N 116.026 -0.534 . . . . 71.340000000000003 111.51 177.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 152.55 34.45 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 115.154 -0.93 . . . . 60.119999999999997 109.324 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.38 137.72 13.86 Favored Glycine 0 C--N 1.28 -2.556 0 C-N-CA 119.456 -1.354 . . . . 60.240000000000002 111.836 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -113.53 145.46 41.18 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 109.099 -0.704 . . . . 74.319999999999993 109.099 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 24.7 ttt85 -133.17 133.84 43.34 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.57 -0.53 . . . . 74.420000000000002 109.57 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.423 -1.794 0 O-C-N 123.787 0.68 . . . . 75.239999999999995 109.423 -179.422 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.867 0 CA-C-O 120.857 0.36 . . . . 73.25 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 9.0 m-20 69.48 152.93 0.1 Allowed 'General case' 0 N--CA 1.435 -1.205 0 C-N-CA 125.343 1.457 . . . . 61.310000000000002 109.802 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 96.3 mt -99.56 -10.58 21.89 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 107.529 -1.286 . . . . 74.450000000000003 107.529 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 97.69 -164.52 21.93 Favored Glycine 0 CA--C 1.523 0.534 0 CA-C-N 114.648 -1.16 . . . . 43.509999999999998 112.375 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . 0.41 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 45.8 mm -105.26 129.07 58.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.746 -0.835 . . . . 74.109999999999999 108.746 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.502 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.5 m-85 -123.73 149.85 45.06 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 122.344 0.258 . . . . 72.140000000000001 110.783 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.45 ' HA ' HG11 ' A' ' 605' ' ' VAL . 92.6 t -67.49 136.26 26.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.404 0.621 . . . . 73.239999999999995 110.487 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -106.37 -45.53 4.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 111.228 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 33.4 t -148.52 142.33 25.68 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 109.67 -0.493 . . . . 63.350000000000001 109.67 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.64 131.58 40.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.316 -0.994 . . . . 63.219999999999999 108.316 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.596 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 72.0 mt -93.55 123.47 45.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 110.04 -0.356 . . . . 75.219999999999999 110.04 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.15 132.16 45.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.671 -0.863 . . . . 65.129999999999995 108.671 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 91.82 42.88 4.63 Favored Glycine 0 C--N 1.297 -1.597 0 C-N-CA 120.247 -0.977 . . . . 75.239999999999995 110.97 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -139.87 140.27 10.58 Favored Glycine 0 N--CA 1.431 -1.662 0 N-CA-C 110.18 -1.168 . . . . 71.329999999999998 110.18 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.06 -30.26 71.34 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.374 0.509 . . . . 72.519999999999996 112.374 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.87 69.29 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.551 0.691 . . . . 73.420000000000002 109.694 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 19.2 m -73.59 -47.09 43.07 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 114.228 -1.351 . . . . 64.329999999999998 109.783 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -75.92 -52.54 10.07 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 114.186 1.18 . . . . 72.519999999999996 114.186 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -79.0 -52.76 7.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.226 0.824 . . . . 74.409999999999997 113.226 -170.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.74 -42.44 5.72 Favored Glycine 0 CA--C 1.495 -1.164 0 C-N-CA 120.103 -1.046 . . . . 54.439999999999998 111.968 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.402 ' HE ' ' HB2' ' A' ' 635' ' ' ARG . 60.8 mtm180 71.57 95.43 0.07 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 122.429 1.109 . . . . 72.030000000000001 111.453 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 90.4 mt -88.43 179.66 6.27 Favored 'General case' 0 C--N 1.268 -2.974 0 CA-C-N 113.634 -1.621 . . . . 74.510000000000005 109.315 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.588 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 0.2 OUTLIER -136.55 176.19 8.93 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.598 -0.889 . . . . 73.140000000000001 108.598 -175.223 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.79 132.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.938 0 C-N-CA 120.466 -0.494 . . . . 72.219999999999999 109.794 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.04 23.95 2.61 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.224 1.409 . . . . 61.329999999999998 111.77 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.588 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 2.9 p30 -78.58 151.14 32.57 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 118.095 -1.442 . . . . 60.119999999999997 109.436 171.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -92.39 115.11 27.8 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 116.022 -0.536 . . . . 71.219999999999999 112.215 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.439 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.7 mp -76.57 109.52 10.38 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.673 0.749 . . . . 63.109999999999999 109.894 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.6 mm -87.19 -53.57 9.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.982 -1.008 . . . . 74.540000000000006 110.039 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -134.56 142.87 47.1 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.332 -0.849 . . . . 70.349999999999994 110.014 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.546 HG21 ' CD1' ' A' ' 662' ' ' LEU . 10.0 p -126.99 119.57 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.276 0 CA-C-O 121.986 0.898 . . . . 73.140000000000001 111.299 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.406 ' HB2' HG13 ' A' ' 676' ' ' ILE . 56.6 t30 51.35 47.74 24.28 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.002 -1.454 . . . . 74.219999999999999 110.007 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 105.35 -51.8 0.75 Allowed Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.102 -1.047 . . . . 63.420000000000002 114.836 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.503 ' OE2' HG23 ' A' ' 661' ' ' THR . 36.7 tt0 -85.34 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.573 0.687 . . . . 72.519999999999996 112.008 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 45.6 m -84.5 120.27 26.12 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.652 -0.499 . . . . 52.520000000000003 109.652 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.01 -22.6 42.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 109.835 -0.431 . . . . 72.200000000000003 109.835 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.15 93.03 0.57 Allowed 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.603 -1.258 . . . . 64.150000000000006 107.603 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 161.75 -36.39 0.38 Allowed Glycine 0 C--N 1.301 -1.386 0 N-CA-C 110.375 -1.09 . . . . 55.340000000000003 110.375 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.29 156.04 18.24 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 110.301 -0.259 . . . . 73.109999999999999 110.301 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.28 168.6 5.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.912 0.485 . . . . 52.340000000000003 111.442 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.573 ' O ' ' HG3' ' A' ' 659' ' ' MET . 12.7 m120 -52.93 -49.95 64.99 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 112.075 0.398 . . . . 63.530000000000001 112.075 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.586 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -63.88 -42.46 97.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.819 0.342 . . . . 74.450000000000003 110.686 -175.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.11 -45.88 91.51 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.568 -0.742 . . . . 74.200000000000003 109.611 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.03 99.8 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.21 -0.905 . . . . 70.129999999999995 111.496 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.576 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 84.7 mtp -70.54 -37.08 74.02 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.524 -0.307 . . . . 71.430000000000007 110.95 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 16.1 mm-40 -65.59 -41.38 92.88 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 120.854 0.359 . . . . 75.040000000000006 110.692 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' THR . . . . . 0.503 HG23 ' OE2' ' A' ' 648' ' ' GLU . 54.7 m -65.6 -43.46 89.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.792 -0.64 . . . . 72.310000000000002 109.53 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.595 ' O ' ' HG3' ' A' ' 666' ' ' MET . 56.7 tp -53.74 -55.5 25.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.922 -1.035 . . . . 73.239999999999995 111.037 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 659' ' ' MET . 43.6 mtm105 -54.84 -44.82 74.28 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.607 0.567 . . . . 70.099999999999994 110.861 -177.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -68.97 -51.29 41.01 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.841 -0.618 . . . . 74.430000000000007 111.58 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 36.7 m -77.53 -28.8 52.06 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 113.576 0.954 . . . . 71.239999999999995 113.576 -170.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 3.1 ppp? -76.2 -24.39 54.68 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.066 -1.054 . . . . 75.150000000000006 110.174 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.2 t -92.32 -56.86 2.89 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.598 -0.728 . . . . 72.540000000000006 109.777 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 52.6 m -71.21 -60.33 2.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.166 -0.47 . . . . 71.329999999999998 111.635 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -71.83 -27.75 63.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 120.95 0.405 . . . . 73.310000000000002 110.923 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -61.24 -54.28 37.66 Favored Glycine 0 CA--C 1.507 -0.443 0 N-CA-C 111.31 -0.716 . . . . 43.340000000000003 111.31 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.46 -19.51 64.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.169 0.509 . . . . 73.450000000000003 111.078 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.09 -53.17 10.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.144 -0.48 . . . . 62.219999999999999 110.558 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -69.16 -32.19 71.37 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.026 -0.534 . . . . 71.049999999999997 110.93 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 105.39 -36.88 4.11 Favored Glycine 0 C--N 1.309 -0.935 0 N-CA-C 110.1 -1.2 . . . . 65.219999999999999 110.1 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -136.58 154.17 50.76 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.849 -0.797 . . . . 72.209999999999994 108.849 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 601' ' ' LEU . 8.7 tt -111.05 135.09 51.26 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 115.282 -0.872 . . . . 70.030000000000001 110.629 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -104.44 115.78 30.97 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.557 -0.747 . . . . 72.140000000000001 111.793 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.1 mm? -110.96 128.9 55.99 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 109.479 -0.563 . . . . 74.140000000000001 109.479 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.0 118.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.974 -1.491 . . . . 73.439999999999998 106.974 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.36 153.04 26.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 N-CA-C 109.194 -0.669 . . . . 75.340000000000003 109.194 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -110.66 124.8 52.62 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 109.06 -0.719 . . . . 71.310000000000002 109.06 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 . . . . . 0 C--N 1.285 -2.206 0 N-CA-C 108.264 -1.013 . . . . 65.120000000000005 108.264 178.098 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.435 -1.199 0 CA-C-O 120.936 0.398 . . . . 73.510000000000005 110.351 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -107.78 145.5 33.47 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.224 -0.898 . . . . 74.530000000000001 110.524 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . 0.425 ' HB2' ' CE ' ' A' ' 659' ' ' MET . 3.1 tm? -146.65 132.05 18.6 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 107.898 -1.149 . . . . 61.229999999999997 107.898 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . 0.414 ' N ' HD13 ' B' ' 783' ' ' ILE . 1.9 mp -105.04 132.06 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 109.048 -0.723 . . . . 71.319999999999993 109.048 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.564 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 18.9 pt . . . . . 0 N--CA 1.411 -2.391 0 CA-C-O 117.488 -1.244 . . . . 64.430000000000007 111.15 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 15.2 pt-20 . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 108.745 -0.835 . . . . 73.540000000000006 108.745 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -106.27 127.71 53.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 120.717 0.294 . . . . 74.5 110.648 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.57 143.78 37.13 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.379 -0.971 . . . . 72.099999999999994 108.379 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 50.2 m -111.22 122.85 48.93 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 116.101 -0.499 . . . . 74.349999999999994 109.839 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.46 119.69 35.3 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.243 -0.651 . . . . 64.340000000000003 109.243 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -108.5 116.03 31.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.268 -0.642 . . . . 74.329999999999998 109.268 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.408 ' HB ' HG21 ' A' ' 676' ' ' ILE . 66.2 t -105.67 116.86 59.27 Favored Pre-proline 0 C--N 1.28 -2.448 0 CA-C-N 115.2 -0.909 . . . . 65.329999999999998 109.154 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.65 148.69 47.65 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.61 1.54 . . . . 72.099999999999994 109.895 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 71.44 3.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.027 0.918 . . . . 62.130000000000003 111.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' A' ' 629' ' ' ALA . 2.3 m-20 -123.77 129.39 50.99 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.207 -1.361 . . . . 64.319999999999993 108.253 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 63.29 22.39 13.29 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.866 0.841 . . . . 71.329999999999998 109.88 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.8 m -102.24 114.01 27.79 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-N 114.488 -1.233 . . . . 70.040000000000006 108.371 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 175.45 -46.57 0.13 Allowed Glycine 0 C--N 1.278 -2.654 0 N-CA-C 108.943 -1.663 . . . . 74.430000000000007 108.943 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.4 m -74.33 -29.68 61.71 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.861 0.839 . . . . 72.150000000000006 109.481 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -143.75 148.64 35.93 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 104.209 -2.515 . . . . 73.430000000000007 104.209 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -71.16 -56.78 6.67 Favored Glycine 0 C--N 1.282 -2.46 0 N-CA-C 110.528 -1.029 . . . . 65.0 110.528 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 676' ' ' ILE . 15.3 mt -115.87 -33.06 5.24 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.547 -1.279 . . . . 74.519999999999996 107.547 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.61 49.22 3.47 Favored Glycine 0 N--CA 1.4 -3.755 0 N-CA-C 109.25 -1.54 . . . . 70.430000000000007 109.25 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.0 t -139.23 153.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 106.381 -1.711 . . . . 60.299999999999997 106.381 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.0 m -113.42 135.42 53.89 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.067 -1.086 . . . . 75.340000000000003 108.067 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.403 HG12 ' CD2' ' A' ' 642' ' ' LEU . 3.0 m -124.53 162.3 26.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 121.108 0.48 . . . . 65.230000000000004 111.553 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' B' ' 780' ' ' GLU . 64.5 pttt -148.99 154.24 39.08 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 115.204 -0.907 . . . . 74.530000000000001 108.821 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.72 128.88 9.62 Favored Glycine 0 N--CA 1.411 -2.994 0 C-N-CA 119.343 -1.408 . . . . 73.239999999999995 111.585 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 620' ' ' PHE . 4.4 m-20 -99.72 121.65 41.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.775 -1.194 . . . . 61.329999999999998 107.775 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.529 ' HD3' ' OD2' ' A' ' 616' ' ' ASP . 35.6 ttp180 -129.45 148.83 51.4 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 109.745 -0.465 . . . . 74.140000000000001 109.745 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-N 115.574 -0.739 . . . . 64.329999999999998 110.728 178.275 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.297 0 CA-C-O 120.802 0.334 . . . . 75.299999999999997 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.529 ' OD2' ' HD3' ' A' ' 609' ' ' ARG . 2.0 m-20 -81.12 138.46 35.91 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 105.554 -2.017 . . . . 64.340000000000003 105.554 175.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.5 mt -87.98 -14.76 38.29 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.239 -1.023 . . . . 71.420000000000002 108.239 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 119.8 -171.24 14.37 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.697 -1.138 . . . . 75.25 112.572 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.19 128.16 55.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.418 -0.956 . . . . 72.430000000000007 108.418 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.576 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 80.6 m-85 -122.51 142.17 50.88 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 123.292 0.37 . . . . 65.510000000000005 110.448 -177.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.4 132.94 29.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-O 121.375 0.607 . . . . 71.510000000000005 110.742 174.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.466 ' HZ3' ' HB2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -106.49 -40.28 5.62 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 116.332 -0.394 . . . . 72.219999999999999 111.238 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 143.48 25.73 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.218 -0.66 . . . . 74.109999999999999 109.218 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.17 133.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.596 -0.89 . . . . 72.340000000000003 108.596 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -97.55 111.95 28.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.968 -0.753 . . . . 71.239999999999995 108.968 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -75.0 113.8 12.74 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.547 -0.751 . . . . 75.030000000000001 109.458 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.93 -26.18 2.51 Favored Glycine 0 N--CA 1.429 -1.801 0 N-CA-C 109.987 -1.245 . . . . 53.020000000000003 109.987 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 158.49 34.97 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.974 -0.632 . . . . 55.140000000000001 111.623 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 594' ' ' ASN . . . -63.4 -32.19 73.55 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 111.867 0.321 . . . . 55.32 111.867 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.38 -30.0 69.68 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 121.027 0.442 . . . . 53.210000000000001 110.053 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' SER . . . . . 0.575 ' O ' ' HB2' ' A' ' 635' ' ' ARG . 42.3 t -78.86 -48.96 13.7 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.101 -0.954 . . . . 72.319999999999993 110.196 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.648 ' HE2' ' O ' ' A' ' 632' ' ' LYS . 0.0 OUTLIER -65.33 -52.38 54.29 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.856 -0.611 . . . . 74.230000000000004 110.354 -176.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -79.44 -53.96 6.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.196 1.184 . . . . 72.349999999999994 114.196 -170.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -101.75 -44.13 2.0 Allowed Glycine 0 C--O 1.229 -0.197 0 C-N-CA 119.273 -1.442 . . . . 37.170000000000002 114.252 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' A' ' 631' ' ' SER . 32.6 ttm180 55.84 96.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.98 1.312 . . . . 62.420000000000002 112.814 -175.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . 0.556 ' HB3' ' OD2' ' A' ' 640' ' ' ASP . 6.0 mp -77.58 -167.72 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.237 -1.347 . . . . 73.400000000000006 110.456 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.602 ' NE ' ' HB3' ' A' ' 640' ' ' ASP . 5.0 ppt_? -131.0 148.29 52.73 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.449 0.642 . . . . 74.400000000000006 112.167 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.7 t -61.66 131.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.635 -0.711 . . . . 72.109999999999999 109.262 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 83.37 11.74 0.45 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.394 1.477 . . . . 65.409999999999997 112.59 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.602 ' HB3' ' NE ' ' A' ' 637' ' ' ARG 0.29 2.9 p30 -74.29 142.41 45.23 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 117.098 -1.841 . . . . 62.119999999999997 111.713 174.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.77 113.9 24.82 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.658 -0.701 . . . . 74.510000000000005 112.227 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.7 mp -73.83 109.59 7.46 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.589 0.709 . . . . 73.420000000000002 110.396 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.425 HG23 HD11 ' A' ' 651' ' ' LEU . 47.4 mm -89.89 -55.42 6.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.133 -0.939 . . . . 63.530000000000001 110.76 -175.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -139.4 145.44 38.93 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.995 -1.002 . . . . 73.140000000000001 110.655 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.427 HG22 ' CD1' ' A' ' 678' ' ' LEU . 14.0 p -126.2 127.87 71.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 72.040000000000006 108.366 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.41 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.5 m-20 51.67 34.4 12.73 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.756 0.789 . . . . 75.409999999999997 112.371 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.55 58.61 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.907 -1.042 . . . . 73.540000000000006 113.673 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.21 125.42 35.47 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 117.751 0.775 . . . . 74.200000000000003 109.281 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.3 t -84.66 136.46 33.74 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.068 0.461 . . . . 53.0 110.244 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -130.82 17.42 5.18 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.943 0.877 . . . . 63.329999999999998 109.139 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.425 HD11 HG23 ' A' ' 643' ' ' ILE . 4.3 tt -55.47 -31.18 61.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.792 -1.549 . . . . 71.040000000000006 111.291 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -110.14 14.72 30.97 Favored Glycine 0 N--CA 1.434 -1.447 0 C-N-CA 120.24 -0.981 . . . . 43.399999999999999 114.335 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -109.95 163.7 13.31 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.798 -1.161 . . . . 63.32 110.599 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.74 152.96 37.82 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.42 0.45 . . . . 52.32 111.309 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 13.6 m120 -55.0 -42.39 72.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.537 0.569 . . . . 70.409999999999997 112.537 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.29 -44.58 94.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.06 0.457 . . . . 70.409999999999997 110.123 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.25 -38.33 90.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.331 -0.85 . . . . 72.409999999999997 109.615 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -63.1 -44.01 96.87 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.645 -1.161 . . . . 37.170000000000002 111.102 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 mmt -58.4 -45.77 87.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.903 0.383 . . . . 70.019999999999996 110.52 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.43 -41.36 98.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.599 -0.728 . . . . 75.200000000000003 110.014 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.9 m -61.34 -48.9 79.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.962 -0.563 . . . . 74.319999999999993 110.474 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.626 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -56.81 -56.11 25.68 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 116.361 -0.381 . . . . 74.030000000000001 110.863 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.423 0.452 . . . . 74.340000000000003 111.174 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.55 -50.53 62.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.838 -0.619 . . . . 71.109999999999999 110.209 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -32.94 74.8 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 116.77 -0.195 . . . . 72.510000000000005 111.442 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -67.86 -41.69 82.5 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.07 0.462 . . . . 73.439999999999998 110.441 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 27.5 t -80.8 -48.53 12.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.569 -0.741 . . . . 75.209999999999994 110.891 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 64.6 m -76.52 -53.68 7.75 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.202 0.525 . . . . 73.310000000000002 112.144 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.56 -40.07 11.55 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.133 -0.485 . . . . 51.43 112.126 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.98 -58.71 13.15 Favored Glycine 0 C--O 1.249 1.069 0 CA-C-N 116.022 -0.535 . . . . 61.240000000000002 112.193 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -81.05 69.43 7.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.74 0.781 . . . . 73.420000000000002 109.989 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -174.67 -53.51 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 113.885 -1.507 . . . . 71.219999999999999 107.669 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -67.98 -21.85 65.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.328 -0.851 . . . . 73.120000000000005 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.73 -30.32 9.08 Favored Glycine 0 CA--C 1.5 -0.868 0 N-CA-C 110.774 -0.931 . . . . 64.530000000000001 110.774 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.8 ptp -143.93 155.42 44.05 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.257 -1.016 . . . . 61.219999999999999 108.257 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.447 HG23 HD22 ' A' ' 601' ' ' LEU . 7.3 tt -110.28 133.44 55.66 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 CA-C-N 115.7 -0.682 . . . . 74.409999999999997 109.342 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -101.91 126.0 48.72 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 115.362 -0.836 . . . . 65.409999999999997 110.237 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.2 mm? -119.38 123.79 45.0 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.629 -0.878 . . . . 63.409999999999997 108.629 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.25 117.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 106.911 -1.515 . . . . 73.129999999999995 106.911 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.28 152.91 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 110.027 -0.36 . . . . 72.209999999999994 110.027 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -113.26 146.67 38.97 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.283 0.564 . . . . 64.340000000000003 112.042 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.416 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 19.8 ptt180 . . . . . 0 C--N 1.305 -1.367 0 CA-C-N 115.216 -0.902 . . . . 70.230000000000004 108.609 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.429 -1.508 0 CA-C-O 121.506 0.67 . . . . 74.310000000000002 110.559 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.4 mt-10 -117.39 132.33 56.6 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 114.422 -1.263 . . . . 72.120000000000005 110.226 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.29 131.36 38.32 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 115.455 -0.793 . . . . 73.420000000000002 110.426 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.63 125.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.12 -1.067 . . . . 64.040000000000006 108.12 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.445 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 14.1 pt . . . . . 0 N--CA 1.413 -2.32 0 CA-C-O 117.98 -1.01 . . . . 72.340000000000003 108.486 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.424 -1.737 0 CA-C-O 121.103 0.477 . . . . 53.140000000000001 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.29 122.5 36.9 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.233 -0.894 . . . . 75.430000000000007 110.788 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 8.0 mp -109.77 144.0 38.81 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 116.032 -0.531 . . . . 73.099999999999994 109.571 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.9 m -111.01 121.31 45.04 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 121.432 0.634 . . . . 62.149999999999999 109.552 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . 0.451 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 50.0 m-85 -117.2 119.88 36.56 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 108.558 -0.905 . . . . 70.230000000000004 108.558 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.41 121.84 46.26 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.345 0.593 . . . . 74.299999999999997 110.273 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 85.5 t -114.58 117.84 42.07 Favored Pre-proline 0 C--N 1.285 -2.204 0 CA-C-N 114.782 -1.099 . . . . 75.340000000000003 109.894 -172.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.73 148.56 25.74 Favored 'Trans proline' 0 N--CA 1.442 -1.534 0 C-N-CA 121.57 1.513 . . . . 71.549999999999997 111.354 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.23 84.1 1.37 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.199 -1.037 . . . . 74.420000000000002 108.199 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -105.54 -75.91 0.62 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.544 -1.207 . . . . 71.420000000000002 111.166 -177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.09 31.51 3.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.111 -1.44 . . . . 62.329999999999998 107.111 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 42.9 m -71.02 9.69 0.67 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.496 -1.229 . . . . 65.310000000000002 113.947 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.41 39.48 Favored Glycine 0 N--CA 1.426 -1.976 0 N-CA-C 111.384 -0.686 . . . . 61.32 111.384 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 56.3 p -82.62 -37.37 25.07 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.199 0.999 . . . . 63.450000000000003 109.757 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.589 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -165.54 152.29 10.1 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 103.863 -2.643 . . . . 52.039999999999999 103.863 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.18 -54.61 31.53 Favored Glycine 0 C--N 1.294 -1.799 0 N-CA-C 111.391 -0.683 . . . . 37.369999999999997 111.391 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.523 ' CD1' ' HE2' ' A' ' 666' ' ' MET . 7.3 mp -115.01 -33.52 5.38 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 108.752 -0.833 . . . . 73.329999999999998 108.752 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 88.0 46.4 4.79 Favored Glycine 1 N--CA 1.395 -4.09 0 N-CA-C 109.269 -1.533 . . . . 43.229999999999997 109.269 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.41 151.71 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.973 0 N-CA-C 106.531 -1.655 . . . . 74.450000000000003 106.531 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 22.9 m -114.79 133.83 55.61 Favored 'General case' 0 N--CA 1.397 -3.091 0 N-CA-C 107.174 -1.417 . . . . 74.439999999999998 107.174 171.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.458 HG12 ' CD2' ' A' ' 642' ' ' LEU . 3.5 m -124.88 159.86 30.88 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.669 0 CA-C-N 115.887 -0.597 . . . . 75.439999999999998 111.247 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -148.61 152.79 37.37 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.597 -0.728 . . . . 74.310000000000002 109.53 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.0 128.45 8.41 Favored Glycine 0 C--N 1.284 -2.325 0 C-N-CA 119.248 -1.454 . . . . 44.229999999999997 113.369 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.04 139.4 39.78 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.632 -0.877 . . . . 75.439999999999998 108.632 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.481 ' HB3' ' OD1' ' A' ' 655' ' ' ASN . 18.2 ptt-85 -135.41 162.25 33.15 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 109.614 -0.513 . . . . 73.430000000000007 109.614 175.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--N 1.27 -2.887 0 N-CA-C 108.834 -0.802 . . . . 72.049999999999997 108.834 172.519 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.071 0 N-CA-C 106.147 -1.797 . . . . 75.200000000000003 106.147 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.19 149.55 23.81 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 108.243 -1.021 . . . . 72.219999999999999 108.243 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.06 -1.15 37.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.483 -0.932 . . . . 74.209999999999994 108.483 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 95.34 -172.99 30.92 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.249 -1.341 . . . . 63.450000000000003 113.11 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.49 135.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.391 -0.966 . . . . 75.239999999999995 108.391 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -126.22 145.51 50.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.9 -0.408 . . . . 74.109999999999999 109.9 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.81 133.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 109.763 -0.458 . . . . 74.230000000000004 109.763 173.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -42.58 4.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.05 0.452 . . . . 61.549999999999997 111.422 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 17.7 p -149.71 139.95 22.21 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.069 -0.514 . . . . 42.299999999999997 111.486 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.1 130.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.985 -0.746 . . . . 62.409999999999997 108.985 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.96 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 107.861 -1.163 . . . . 72.310000000000002 107.861 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -65.72 118.75 10.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.517 -0.765 . . . . 74.120000000000005 111.37 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.46 -15.1 22.55 Favored Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.175 -1.012 . . . . 70.400000000000006 112.213 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -69.31 165.39 49.53 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 111.227 -0.749 . . . . 61.329999999999998 111.227 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.62 89.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 122.557 -0.378 . . . . 73.019999999999996 111.334 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.89 -25.94 63.01 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.332 0.587 . . . . 74.230000000000004 109.819 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 45.8 t -71.53 -49.08 44.34 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 115.002 -0.999 . . . . 42.210000000000001 109.616 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -75.0 -52.88 10.0 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.247 0.462 . . . . 75.0 112.247 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.35 -52.38 7.75 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.552 0.575 . . . . 74.120000000000005 112.552 -176.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.74 41.71 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 120.56 -0.829 . . . . 63.140000000000001 113.383 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 58.13 36.67 26.07 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.142 0.496 . . . . 73.439999999999998 111.844 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 5.0 mp -64.09 175.74 1.17 Allowed 'General case' 0 C--O 1.256 1.446 0 CA-C-O 121.926 0.869 . . . . 64.219999999999999 111.994 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.527 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 15.9 ptt180 -115.97 169.31 9.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.013 -0.994 . . . . 71.120000000000005 109.615 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.43 146.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 106.527 -1.657 . . . . 72.439999999999998 106.527 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 84.09 -0.86 1.02 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 113.848 1.055 . . . . 71.239999999999995 113.848 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 12.7 m-20 -63.3 128.21 34.82 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 118.747 -1.181 . . . . 62.420000000000002 109.978 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.59 115.36 26.05 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.772 -0.825 . . . . 75.140000000000001 108.772 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.1 mp -72.98 117.24 14.47 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.709 0.804 . . . . 74.340000000000003 112.145 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.3 mm -97.73 -56.08 5.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.05 -0.977 . . . . 72.319999999999993 110.953 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.68 154.17 48.59 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.265 -0.88 . . . . 75.420000000000002 110.237 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.437 HG13 HD12 ' A' ' 650' ' ' LEU . 8.0 p -139.05 139.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.628 0 N-CA-C 109.007 -0.738 . . . . 74.310000000000002 109.007 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 17.5 m120 57.56 18.95 4.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.13 0.972 . . . . 71.239999999999995 112.407 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.05 6.91 62.89 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.738 -0.744 . . . . 42.32 112.765 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -118.85 133.25 55.96 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.795 -0.446 . . . . 72.519999999999996 109.795 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 59.6 m -88.95 137.02 32.69 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.907 0.706 . . . . 73.120000000000005 112.907 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 6.5 mp -109.28 -13.14 14.69 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 115.396 -0.82 . . . . 72.409999999999997 110.732 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.74 99.89 0.05 OUTLIER 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.044 0.84 . . . . 73.319999999999993 110.672 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 143.21 -25.57 2.19 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 115.4 -0.818 . . . . 50.310000000000002 111.606 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 18.1 ptpt -97.18 157.84 15.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.625 -0.43 . . . . 74.120000000000005 110.168 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.78 168.05 3.28 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.513 0.56 . . . . 74.209999999999994 112.513 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.481 ' OD1' ' HB3' ' A' ' 609' ' ' ARG . 13.3 m120 -60.49 -47.2 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.994 0.518 . . . . 60.049999999999997 111.608 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.8 -33.35 70.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.322 -0.399 . . . . 73.209999999999994 110.607 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.26 -40.57 97.78 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 109.394 -0.595 . . . . 74.129999999999995 109.394 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -60.5 -44.56 95.85 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.082 -0.963 . . . . 62.109999999999999 110.203 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.1 mtt -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.595 -0.275 . . . . 74.450000000000003 111.363 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.14 -33.62 75.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.322 0.649 . . . . 72.239999999999995 109.903 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 42.6 m -74.97 -51.09 14.55 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.549 -0.75 . . . . 63.210000000000001 109.703 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.636 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.0 mt -50.96 -55.7 15.98 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.581 0.752 . . . . 73.030000000000001 111.951 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -55.15 -37.78 67.4 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.282 0.563 . . . . 74.209999999999994 110.755 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -76.16 -46.84 26.59 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.255 -0.884 . . . . 75.430000000000007 111.338 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 49.9 m -60.85 -35.98 77.96 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 120.706 0.289 . . . . 75.450000000000003 111.073 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.405 0.621 . . . . 75.030000000000001 110.575 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 30.4 t -87.39 -48.9 7.6 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.476 -0.783 . . . . 60.420000000000002 110.758 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.1 m -73.61 -46.92 44.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.425 -0.352 . . . . 74.219999999999999 111.589 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.71 -45.86 7.84 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 112.079 0.4 . . . . 71.430000000000007 112.079 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -54.99 -61.86 6.91 Favored Glycine 0 C--O 1.249 1.05 0 O-C-N 123.545 0.528 . . . . 71.400000000000006 112.758 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.84 78.58 9.86 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.654 -0.818 . . . . 74.329999999999998 109.04 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 55.8 tptt 175.62 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.586 1.554 . . . . 75.299999999999997 107.885 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -95.62 -2.56 47.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.497 -0.774 . . . . 63.409999999999997 112.484 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.12 -37.23 3.12 Favored Glycine 0 C--N 1.316 -0.576 0 C-N-CA 121.071 -0.585 . . . . 65.329999999999998 113.12 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -137.72 156.26 48.19 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.974 0.416 . . . . 64.420000000000002 110.759 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.473 HD13 HD11 ' A' ' 601' ' ' LEU . 9.3 tt -111.14 133.77 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.154 0 CA-C-N 115.055 -0.975 . . . . 64.099999999999994 109.299 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -102.8 128.38 49.58 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.856 -0.611 . . . . 74.430000000000007 110.471 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.6 mm? -116.95 128.42 55.18 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.407 -0.59 . . . . 70.540000000000006 109.407 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 95.8 mt -114.98 118.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 N-CA-C 107.984 -1.117 . . . . 62.130000000000003 107.984 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.93 161.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 CA-C-N 115.3 -0.864 . . . . 65.329999999999998 109.951 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -109.22 125.79 52.62 Favored 'General case' 0 N--CA 1.41 -2.448 0 N-CA-C 107.984 -1.117 . . . . 75.140000000000001 107.984 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 N--CA 1.403 -2.817 0 CA-C-N 114.093 -1.412 . . . . 72.420000000000002 109.299 -175.491 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.464 0.173 . . . . 75.120000000000005 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -115.98 131.35 56.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.095 0.558 . . . . 73.319999999999993 110.572 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 55.0 tp -127.17 128.33 45.96 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.452 0.701 . . . . 71.209999999999994 110.47 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.01 126.71 48.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.045 -1.094 . . . . 73.25 108.045 173.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 117.597 -1.192 . . . . 74.430000000000007 111.391 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.978 -0.749 . . . . 54.240000000000002 108.978 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.83 129.79 51.33 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.921 -0.582 . . . . 74.109999999999999 111.073 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 91.5 mt -118.69 131.9 56.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.673 -0.694 . . . . 72.319999999999993 110.767 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 48.8 m -107.13 122.19 46.0 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-N 114.749 -1.114 . . . . 73.430000000000007 109.221 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.31 133.7 55.67 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.54 -0.755 . . . . 75.109999999999999 109.267 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.51 127.83 55.35 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 108.712 -0.847 . . . . 73.219999999999999 108.712 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 66.5 t -119.61 115.73 33.65 Favored Pre-proline 0 C--N 1.281 -2.388 0 N-CA-C 107.72 -1.215 . . . . 71.120000000000005 107.72 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 57.8 Cg_endo -76.38 144.44 25.89 Favored 'Trans proline' 0 N--CA 1.422 -2.693 0 N-CA-C 108.713 -1.303 . . . . 70.519999999999996 108.713 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 87.6 mt -79.92 83.18 5.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.964 0.888 . . . . 75.150000000000006 108.765 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -66.96 -75.05 0.1 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.707 -1.588 . . . . 72.219999999999999 109.216 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.56 -73.36 0.64 Allowed 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 106.755 -1.572 . . . . 72.200000000000003 106.755 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.623 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.3 m 63.46 6.31 2.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.54 1.311 . . . . 73.239999999999995 114.54 170.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -78.19 -44.32 11.77 Favored Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 119.694 -1.241 . . . . 40.130000000000003 111.873 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -79.95 -37.67 33.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.73 0.776 . . . . 74.310000000000002 110.322 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.623 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -145.74 127.0 14.82 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.251 -1.759 . . . . 74.450000000000003 106.251 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.92 -54.3 38.04 Favored Glycine 0 CA--C 1.486 -1.778 0 O-C-N 124.214 0.946 . . . . 60.350000000000001 111.616 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.507 HD22 HG23 ' A' ' 676' ' ' ILE . 11.5 mt -108.93 -27.2 9.82 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.261 -1.015 . . . . 62.509999999999998 108.261 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.463 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 79.89 48.32 6.64 Favored Glycine 0 N--CA 1.399 -3.819 0 N-CA-C 109.289 -1.524 . . . . 73.219999999999999 109.289 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.85 152.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.281 0 N-CA-C 106.403 -1.703 . . . . 74.219999999999999 106.403 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 m -113.09 137.28 51.67 Favored 'General case' 0 N--CA 1.395 -3.185 0 N-CA-C 107.048 -1.464 . . . . 72.329999999999998 107.048 172.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 621' ' ' VAL . 2.2 m -123.8 162.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 CA-C-O 121.278 0.561 . . . . 72.310000000000002 111.318 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.419 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 0.1 OUTLIER -139.95 152.73 46.57 Favored 'General case' 0 C--N 1.278 -2.517 0 N-CA-C 107.339 -1.356 . . . . 71.129999999999995 107.339 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.36 117.98 5.05 Favored Glycine 0 C--N 1.269 -3.16 0 C-N-CA 119.484 -1.341 . . . . 65.349999999999994 110.075 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.544 ' ND2' HD13 ' A' ' 617' ' ' LEU . 53.2 t30 -94.76 131.94 40.06 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.75 -0.833 . . . . 74.409999999999997 108.75 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -134.83 125.66 27.29 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.16 -0.927 . . . . 74.540000000000006 109.054 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.287 -2.124 0 N-CA-C 109.122 -0.696 . . . . 74.129999999999995 109.122 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 109.173 -0.677 . . . . 71.510000000000005 109.173 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -87.04 150.76 23.81 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.998 -1.112 . . . . 75.25 107.998 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.544 HD13 ' ND2' ' A' ' 608' ' ' ASN . 75.6 mt -101.14 -5.18 25.99 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.265 0.555 . . . . 64.340000000000003 109.524 178.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.44 -172.47 21.25 Favored Glycine 0 C--N 1.308 -1.001 0 CA-C-N 115.371 -0.831 . . . . 63.310000000000002 112.683 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -96.43 134.78 32.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 N-CA-C 108.783 -0.821 . . . . 72.25 108.783 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.474 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 84.5 m-85 -129.63 147.9 51.47 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.744 -0.465 . . . . 73.420000000000002 109.744 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.431 ' HA ' HG11 ' A' ' 605' ' ' VAL . 87.1 t -66.98 126.78 27.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-O 121.295 0.569 . . . . 74.540000000000006 110.092 172.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.469 ' HZ2' ' CD ' ' B' ' 781' ' ' GLU . 18.7 ptmt -97.94 -44.5 6.65 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 116.323 -0.399 . . . . 75.319999999999993 110.915 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 622' ' ' LYS . 37.8 t -150.04 146.31 26.9 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 109.025 -0.731 . . . . 62.210000000000001 109.025 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.82 132.03 46.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 109.249 -0.649 . . . . 62.210000000000001 109.249 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.463 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 75.6 mt -87.54 120.91 37.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-O 121.051 0.453 . . . . 74.219999999999999 110.033 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -67.03 117.98 9.83 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.342 -0.845 . . . . 71.450000000000003 108.855 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.03 5.26 38.29 Favored Glycine 0 N--CA 1.434 -1.479 0 C-N-CA 120.768 -0.73 . . . . 74.450000000000003 111.7 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.83 22.94 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.619 -0.8 . . . . 54.100000000000001 111.328 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.24 88.49 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 117.399 0.599 . . . . 72.439999999999998 110.918 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -65.46 -25.81 67.67 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.334 -0.394 . . . . 71.129999999999995 111.221 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 93.0 p -74.98 -48.42 24.37 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 70.409999999999997 110.473 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -76.94 -50.81 12.4 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.068 0.461 . . . . 71.219999999999999 112.111 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.96 -50.9 11.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.492 0.553 . . . . 73.340000000000003 112.492 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.41 -43.77 8.36 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.62 -1.276 . . . . 51.329999999999998 113.559 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 61.91 76.72 0.36 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.857 0.837 . . . . 45.399999999999999 112.082 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.14 -170.77 2.17 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.713 -1.131 . . . . 65.540000000000006 109.695 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.607 ' NH2' ' HA ' ' A' ' 682' ' ' ARG . 23.0 ptt85 -136.26 171.3 14.68 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.221 0.534 . . . . 74.319999999999993 110.125 -176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -79.67 139.37 18.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 N-CA-C 108.224 -1.028 . . . . 72.239999999999995 108.224 172.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 77.2 11.99 2.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 124.924 1.289 . . . . 72.200000000000003 112.898 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 2.7 p30 -74.81 141.34 44.32 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 117.097 -1.841 . . . . 55.140000000000001 109.645 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 119.2 32.42 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.546 -0.909 . . . . 71.5 108.546 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.84 109.61 6.55 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.7 0.8 . . . . 63.409999999999997 111.058 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.436 ' CG2' HD22 ' A' ' 651' ' ' LEU . 48.6 mm -87.46 -55.03 6.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.721 -1.127 . . . . 75.120000000000005 110.534 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.01 157.12 44.53 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.263 -0.88 . . . . 74.540000000000006 110.575 -176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 678' ' ' LEU . 15.0 p -138.07 132.6 43.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.884 -0.784 . . . . 74.040000000000006 108.884 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 52.42 23.98 2.75 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.705 1.002 . . . . 62.520000000000003 113.705 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.28 59.36 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.743 -0.662 . . . . 65.129999999999995 113.478 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.18 131.64 35.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.234 -0.568 . . . . 74.549999999999997 110.015 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 19.6 p -93.51 152.24 19.19 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 122.969 0.508 . . . . 65.530000000000001 112.086 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 4.1 mp -121.41 18.69 11.37 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 111.066 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.436 HD22 ' CG2' ' A' ' 643' ' ' ILE . 2.0 mm? -79.27 103.05 8.93 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 120.555 -0.458 . . . . 72.439999999999998 110.008 -176.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 134.65 -30.23 2.89 Favored Glycine 0 C--N 1.3 -1.447 0 C-N-CA 120.424 -0.893 . . . . 54.240000000000002 112.347 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -87.02 155.58 20.1 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.878 -0.329 . . . . 62.409999999999997 110.619 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.87 169.43 13.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.99 0.367 . . . . 61.329999999999998 111.99 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -57.08 -46.74 82.3 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.234 0.614 . . . . 73.319999999999993 111.341 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -68.08 -31.57 71.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.098 -0.501 . . . . 53.219999999999999 111.359 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.02 -38.81 63.94 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.653 -0.869 . . . . 71.209999999999994 108.653 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.16 91.82 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.468 -1.242 . . . . 54.219999999999999 110.622 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 58.5 mtt -66.02 -37.39 85.76 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.882 0.697 . . . . 73.140000000000001 112.882 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.55 -38.1 89.85 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.675 -0.861 . . . . 74.019999999999996 108.675 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 84.0 m -62.63 -51.14 68.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.543 -0.753 . . . . 52.109999999999999 110.136 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.6 mt -56.44 -55.58 31.83 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.898 -0.592 . . . . 52.039999999999999 111.475 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.45 -41.87 86.13 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.96 0.41 . . . . 75.420000000000002 111.076 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.82 -46.0 87.07 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.864 -0.607 . . . . 61.409999999999997 110.28 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 52.1 m -68.28 -32.68 73.02 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 121.277 -0.169 . . . . 64.510000000000005 111.173 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 86.8 mtp -72.16 -42.05 66.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.389 -0.524 . . . . 60.229999999999997 110.274 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.4 t -73.83 -55.88 5.65 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.917 -0.583 . . . . 62.539999999999999 109.944 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.8 m -70.35 -52.43 22.65 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 112.513 0.56 . . . . 73.230000000000004 112.513 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 672' ' ' LYS . 18.3 tt0 -95.99 -17.14 21.22 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 113.681 0.993 . . . . 70.310000000000002 113.681 -173.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.59 96.7 Favored Glycine 0 C--N 1.312 -0.793 0 C-N-CA 120.06 -1.067 . . . . 63.310000000000002 110.448 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -82.12 5.68 18.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.151 0.5 . . . . 71.430000000000007 111.128 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 669' ' ' GLU . 85.5 tttt -85.78 -51.69 6.26 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.236 -0.654 . . . . 64.510000000000005 109.236 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -92.83 -23.86 18.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.059 -0.519 . . . . 74.510000000000005 111.197 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.75 74.65 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 109.567 -1.413 . . . . 60.130000000000003 109.567 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' MET . . . . . 0.486 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 25.5 ptt? -148.19 169.56 19.79 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 106.829 -1.545 . . . . 65.400000000000006 106.829 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.507 HG23 HD22 ' A' ' 601' ' ' LEU . 6.8 tt -133.98 144.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.994 0 O-C-N 123.888 0.742 . . . . 74.239999999999995 110.573 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -105.06 137.39 42.88 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.886 -0.597 . . . . 63.229999999999997 109.794 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.459 HD13 HG22 ' A' ' 645' ' ' VAL . 1.8 mm? -127.56 135.4 50.26 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.244 -0.65 . . . . 63.530000000000001 109.244 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 92.2 mt -120.37 115.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 107.713 -1.217 . . . . 63.229999999999997 107.713 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.89 156.53 30.92 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.725 0 CA-C-N 115.33 -0.85 . . . . 70.040000000000006 109.784 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.22 143.21 42.34 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.448 0.642 . . . . 53.109999999999999 110.427 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.607 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 4.3 ptp180 . . . . . 0 C--N 1.292 -1.929 0 N-CA-C 109.299 -0.63 . . . . 75.549999999999997 109.299 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.429 -1.486 0 CA-C-O 121.076 0.465 . . . . 73.510000000000005 111.134 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.469 ' CD ' ' HZ2' ' A' ' 622' ' ' LYS . 87.3 mt-10 -133.95 132.88 40.71 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.991 -1.004 . . . . 64.530000000000001 110.096 175.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.81 131.58 49.55 Favored 'General case' 0 N--CA 1.398 -3.033 0 CA-C-N 114.722 -1.127 . . . . 72.439999999999998 110.13 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.26 120.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 107.947 -1.131 . . . . 73.25 107.947 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.407 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 11.1 pt . . . . . 0 N--CA 1.415 -2.219 0 CA-C-O 117.629 -1.177 . . . . 74.25 111.019 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.238 0.491 0 N-CA-C 109.921 -0.4 . . . . 72.340000000000003 109.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.12 123.06 47.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 O-C-N 123.578 0.549 . . . . 73.209999999999994 112.286 -173.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.11 139.36 49.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.086 -0.709 . . . . 74.400000000000006 109.086 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 94.1 m -108.28 122.18 46.43 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.468 -0.567 . . . . 45.310000000000002 109.468 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.83 135.05 54.38 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 109.027 -0.731 . . . . 72.340000000000003 109.027 175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -115.24 116.4 28.27 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.655 -0.869 . . . . 75.239999999999995 108.655 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.3 119.85 35.83 Favored Pre-proline 0 C--N 1.276 -2.591 0 CA-C-N 114.065 -1.425 . . . . 71.409999999999997 111.113 -170.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . 0.477 ' C ' ' H ' ' A' ' 594' ' ' ASN . 58.1 Cg_endo -71.36 148.13 54.25 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 121.198 1.265 . . . . 73.010000000000005 109.673 174.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.46 19.43 1.26 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.76 -0.588 . . . . 63.32 110.716 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 592' ' ' PRO . 8.3 t30 -60.99 -69.82 0.21 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.433 -1.258 . . . . 71.239999999999995 112.429 -176.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.43 -23.85 61.13 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.837 0.351 . . . . 74.310000000000002 111.052 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 18.0 m -58.63 -65.51 0.65 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.352 -0.84 . . . . 74.239999999999995 109.695 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 65.13 -74.51 0.08 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 123.436 0.46 . . . . 65.219999999999999 113.484 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.2 m -92.13 -13.31 30.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-O 121.144 0.497 . . . . 64.329999999999998 110.286 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -116.16 175.68 5.44 Favored 'General case' 0 N--CA 1.394 -3.264 0 N-CA-C 107.012 -1.477 . . . . 75.030000000000001 107.012 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -97.32 -52.63 1.43 Allowed Glycine 0 C--N 1.26 -3.649 0 N-CA-C 109.607 -1.397 . . . . 40.32 109.607 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.557 HD22 ' HB ' ' B' ' 784' ' ' ILE . 2.5 mm? -110.4 -40.46 4.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.782 -1.192 . . . . 72.409999999999997 107.782 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.579 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.87 53.17 2.44 Favored Glycine 0 N--CA 1.398 -3.894 0 N-CA-C 107.125 -2.39 . . . . 71.540000000000006 107.125 -175.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.8 t -140.99 153.03 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 106.97 -1.493 . . . . 52.539999999999999 106.97 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 622' ' ' LYS . 32.5 m -108.83 134.24 51.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 106.879 -1.526 . . . . 72.040000000000006 106.879 172.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.497 HG11 ' HA ' ' A' ' 621' ' ' VAL . 6.1 m -124.61 165.86 20.94 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.885 0 CA-C-O 121.313 0.578 . . . . 74.349999999999994 111.74 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.455 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 65.2 pttt -149.54 153.12 36.67 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 114.661 -1.154 . . . . 51.219999999999999 109.075 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.25 130.12 10.09 Favored Glycine 0 C--N 1.273 -2.932 0 C-N-CA 119.153 -1.499 . . . . 55.219999999999999 110.842 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.574 ' ND2' HD13 ' A' ' 617' ' ' LEU . 54.5 t30 -103.29 129.45 50.29 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.625 -0.879 . . . . 64.329999999999998 108.625 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 14.2 ttm180 -128.67 129.79 46.32 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 108.775 -0.824 . . . . 73.219999999999999 108.775 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.406 -2.629 0 N-CA-C 106.484 -1.673 . . . . 44.25 106.484 172.812 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 109.692 -0.484 . . . . 53.119999999999997 109.692 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.5 m-20 -80.65 152.49 28.44 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.005 -1.109 . . . . 71.299999999999997 108.005 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . 0.574 HD13 ' ND2' ' A' ' 608' ' ' ASN . 58.3 mt -100.04 -5.17 28.48 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.698 0.761 . . . . 75.450000000000003 109.373 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.1 -176.16 24.42 Favored Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 115.008 -0.996 . . . . 72.030000000000001 111.916 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.97 132.55 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.945 -1.131 . . . . 72.0 107.945 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.1 m-85 -122.76 149.94 43.45 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 120.746 0.308 . . . . 74.530000000000001 110.58 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.497 ' HA ' HG11 ' A' ' 605' ' ' VAL . 94.2 t -65.13 119.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 CA-C-O 122.322 1.058 . . . . 75.450000000000003 110.351 173.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 604' ' ' SER . 70.9 tttt -83.32 -60.17 2.23 Favored 'General case' 0 C--N 1.26 -3.318 0 CA-C-N 113.74 -1.573 . . . . 74.120000000000005 109.847 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 24.0 t -151.7 155.39 38.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.407 -0.96 . . . . 74.239999999999995 108.407 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -98.59 135.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 117.688 0.222 . . . . 70.129999999999995 110.549 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.579 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.1 mt -91.34 117.15 34.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.76 -0.83 . . . . 65.510000000000005 108.76 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -74.42 122.75 23.48 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.772 -0.649 . . . . 70.319999999999993 110.324 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.94 14.56 Favored Glycine 0 C--N 1.297 -1.589 0 N-CA-C 110.116 -1.194 . . . . 50.340000000000003 110.116 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -71.72 145.82 39.17 Favored Glycine 0 N--CA 1.438 -1.231 0 N-CA-C 111.247 -0.741 . . . . 74.230000000000004 111.247 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.01 69.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.707 0.289 . . . . 64.109999999999999 111.452 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.0 -27.74 69.04 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-O 121.105 0.479 . . . . 72.230000000000004 110.764 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 33.2 t -77.71 -43.03 32.36 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.467 -0.788 . . . . 74.150000000000006 109.764 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.73 -52.86 10.43 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.401 -0.52 . . . . 64.25 111.824 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.34 -52.56 7.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.043 0.449 . . . . 72.25 111.85 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -79.08 -43.75 10.49 Favored Glycine 0 CA--C 1.496 -1.124 0 C-N-CA 120.156 -1.021 . . . . 71.019999999999996 114.002 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 67.56 89.29 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.764 0.792 . . . . 72.310000000000002 109.816 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.9 177.13 5.05 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.276 -0.875 . . . . 74.25 110.736 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.406 HH21 ' NE ' ' A' ' 682' ' ' ARG . 0.0 OUTLIER -140.65 155.86 46.4 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.212 -0.449 . . . . 55.439999999999998 111.942 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 91.4 t -70.08 137.87 23.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.55 -0.75 . . . . 74.409999999999997 110.18 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 75.31 16.58 2.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.022 1.329 . . . . 74.420000000000002 110.59 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 58.9 t0 -77.5 137.03 38.41 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.661 -1.237 . . . . 73.209999999999994 107.661 175.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 114.32 27.13 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 118.301 0.5 . . . . 63.32 110.92 -172.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.409 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.6 mp -74.51 120.67 20.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.299 1.04 . . . . 62.539999999999999 111.63 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.2 mm -100.95 -53.3 7.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.849 -0.614 . . . . 65.549999999999997 112.05 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -137.75 156.11 48.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.649 -0.705 . . . . 64.430000000000007 111.571 -174.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.4 123.82 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.262 -0.881 . . . . 74.140000000000001 110.728 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.561 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.8 m-20 51.72 29.29 5.6 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.754 1.39 . . . . 63.329999999999998 114.754 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.28 62.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.641 -0.79 . . . . 71.450000000000003 112.722 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -93.06 125.13 37.5 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.371 -0.974 . . . . 73.109999999999999 108.371 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -98.43 129.71 45.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.342 -0.614 . . . . 74.140000000000001 109.342 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.408 HD21 ' H ' ' A' ' 650' ' ' LEU . 1.8 pt? -125.72 10.66 7.78 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.291 0.849 . . . . 75.230000000000004 113.291 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 62.6 tp -77.76 84.12 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.342 -0.943 . . . . 75.25 110.197 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 169.17 36.46 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.013 -0.994 . . . . 54.240000000000002 110.739 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -159.12 167.02 30.23 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.847 -0.798 . . . . 74.340000000000003 108.847 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.427 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -64.46 157.01 27.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.667 0.604 . . . . 74.530000000000001 111.645 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.435 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 14.0 m120 -50.81 -47.33 59.97 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.458 0.703 . . . . 64.310000000000002 112.416 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.65 -37.59 86.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 111.371 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.56 -38.76 81.04 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.782 0.801 . . . . 72.239999999999995 109.343 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.75 76.32 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.505 -1.225 . . . . 75.129999999999995 109.93 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.491 ' HE2' ' O ' ' B' ' 780' ' ' GLU . 61.7 mtt -61.15 -37.5 83.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.153 0.427 . . . . 63.5 112.153 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.82 -37.9 83.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.361 0.601 . . . . 54.140000000000001 109.958 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 57.9 m -76.77 -48.25 19.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.547 -0.751 . . . . 71.409999999999997 109.485 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.674 ' O ' ' HG3' ' A' ' 666' ' ' MET . 64.8 tp -56.23 -56.09 25.3 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.666 1.187 . . . . 73.310000000000002 112.754 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -58.98 -35.96 74.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.395 0.617 . . . . 75.430000000000007 110.442 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.75 -48.01 56.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.579 -0.737 . . . . 54.310000000000002 110.941 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 73.0 m -67.63 -27.32 66.78 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 111.696 0.258 . . . . 71.439999999999998 111.696 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.674 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 89.3 mtp -64.67 -41.87 95.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.045 0.45 . . . . 75.299999999999997 110.193 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 25.4 t -88.03 -49.75 6.84 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.668 -0.696 . . . . 60.049999999999997 110.866 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 62.0 m -73.42 -46.44 48.57 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.085 0.469 . . . . 64.010000000000005 111.113 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 672' ' ' LYS . 42.5 mt-10 -93.15 -1.57 56.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.159 0.429 . . . . 71.099999999999994 112.159 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -82.93 -42.75 7.98 Favored Glycine 0 CA--C 1.497 -1.083 0 N-CA-C 110.044 -1.222 . . . . 70.219999999999999 110.044 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.52 -18.49 65.36 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.819 0.848 . . . . 73.420000000000002 112.342 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 63.5 pttt -72.9 -26.41 61.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.209 0.528 . . . . 73.109999999999999 110.936 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -110.72 -48.3 3.15 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.613 0.72 . . . . 75.340000000000003 110.576 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 110.24 -9.88 31.18 Favored Glycine 0 C--N 1.305 -1.155 0 N-CA-C 108.376 -1.89 . . . . 72.319999999999993 108.376 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' MET . . . . . 0.43 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.8 ptp -135.43 150.61 49.91 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 113.736 -1.232 . . . . 71.299999999999997 108.936 177.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.561 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 4.7 tt -110.97 132.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.653 0 CA-C-N 115.04 -0.982 . . . . 74.219999999999999 110.962 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.67 126.51 45.71 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 114.332 -1.304 . . . . 73.010000000000005 109.122 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.0 OUTLIER -131.12 128.32 39.89 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-O 121.08 0.466 . . . . 74.019999999999996 111.6 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.2 mp -103.37 124.11 57.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.051 -1.463 . . . . 70.319999999999993 107.051 175.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.37 152.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 N-CA-C 109.06 -0.718 . . . . 72.450000000000003 109.06 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -119.83 125.79 49.41 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 116.026 -0.534 . . . . 74.439999999999998 111.441 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.406 ' NE ' HH21 ' A' ' 637' ' ' ARG . 1.2 ptp180 . . . . . 0 C--N 1.301 -1.516 0 N-CA-C 107.504 -1.295 . . . . 72.420000000000002 107.504 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . 0.491 ' O ' ' HE2' ' A' ' 659' ' ' MET . 44.2 mt-10 . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.953 0.882 . . . . 71.319999999999993 112.009 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.455 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 77.0 mt-10 -107.62 135.17 49.51 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.238 -1.347 . . . . 72.400000000000006 109.851 168.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 50.7 tp -137.47 134.46 35.8 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 116.012 -0.54 . . . . 54.25 111.082 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.9 123.63 48.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.854 -0.795 . . . . 71.5 108.854 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.557 ' HB ' HD22 ' A' ' 601' ' ' LEU . 16.4 pt . . . . . 0 N--CA 1.424 -1.729 0 CA-C-O 118.137 -0.935 . . . . 71.230000000000004 110.944 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 110.221 -0.288 . . . . 74.409999999999997 110.221 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . 0.421 ' CE2' HG22 ' A' ' 643' ' ' ILE . 4.6 m-30 -95.3 136.18 35.98 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.455 -0.793 . . . . 75.349999999999994 111.43 -174.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.82 154.22 31.1 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.83 -1.174 . . . . 73.200000000000003 107.83 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 31.7 m -116.07 122.47 45.24 Favored 'General case' 0 C--N 1.287 -2.13 0 C-N-CA 120.117 -0.633 . . . . 73.439999999999998 110.33 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . 0.535 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 51.5 m-85 -123.84 119.33 29.36 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 109.576 -0.528 . . . . 71.420000000000002 109.576 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . 0.449 ' HG2' ' HG3' ' A' ' 677' ' ' GLN . 44.9 mt-10 -106.77 130.82 54.42 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.994 -0.743 . . . . 74.519999999999996 108.994 176.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 94.8 t -120.08 117.6 32.0 Favored Pre-proline 0 C--N 1.281 -2.403 0 CA-C-N 115.631 -0.713 . . . . 72.140000000000001 110.279 -172.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . 0.451 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 73.0 Cg_endo -73.98 148.44 40.29 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.721 1.614 . . . . 73.450000000000003 111.409 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 65.77 2.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.854 0.835 . . . . 63.340000000000003 110.402 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 5.3 m-20 -102.19 -71.92 0.7 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.475 -1.239 . . . . 72.5 110.161 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.06 50.99 1.84 Allowed 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.74 0.781 . . . . 75.319999999999993 109.464 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.591 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 14.1 m -115.97 112.13 21.38 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-N 114.614 -1.175 . . . . 74.439999999999998 108.716 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -177.03 -50.44 0.06 OUTLIER Glycine 0 N--CA 1.419 -2.491 0 N-CA-C 110.092 -1.203 . . . . 41.409999999999997 110.092 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.9 m -86.67 -22.74 25.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.986 0.898 . . . . 72.299999999999997 108.765 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.591 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -156.15 162.43 40.22 Favored 'General case' 0 N--CA 1.402 -2.862 0 N-CA-C 104.9 -2.259 . . . . 71.510000000000005 104.9 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -84.2 -58.02 2.27 Favored Glycine 0 C--N 1.28 -2.581 0 N-CA-C 110.781 -0.928 . . . . 74.540000000000006 110.781 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 676' ' ' ILE . 6.3 mp -102.28 -28.28 12.36 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.259 -1.015 . . . . 71.420000000000002 108.259 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 81.05 51.2 4.83 Favored Glycine 0 N--CA 1.404 -3.436 0 N-CA-C 109.329 -1.508 . . . . 55.229999999999997 109.329 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . 0.436 ' CG1' HG12 ' A' ' 621' ' ' VAL . 46.6 t -134.66 150.98 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 N-CA-C 107.278 -1.379 . . . . 71.510000000000005 107.278 177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 26.1 m -110.23 132.19 54.39 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 106.392 -1.707 . . . . 74.230000000000004 106.392 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 642' ' ' LEU . 4.1 m -124.25 159.06 30.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.417 0 CA-C-O 121.402 0.62 . . . . 71.0 111.724 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -149.13 153.01 37.1 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 115.114 -0.948 . . . . 71.430000000000007 109.925 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -110.89 134.67 12.33 Favored Glycine 0 C--N 1.265 -3.409 0 C-N-CA 119.981 -1.104 . . . . 37.119999999999997 110.756 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -103.5 127.16 50.95 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.847 -1.168 . . . . 71.230000000000004 107.847 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -124.12 128.91 49.97 Favored 'General case' 0 C--N 1.27 -2.876 0 N-CA-C 109.819 -0.437 . . . . 75.329999999999998 109.819 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 C--N 1.29 -2.007 0 N-CA-C 108.273 -1.01 . . . . 45.109999999999999 108.273 175.585 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.641 0 CA-C-O 121.037 0.446 . . . . 65.420000000000002 110.381 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.75 146.54 29.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.194 -1.039 . . . . 73.530000000000001 108.194 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.2 -6.36 44.92 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.783 -0.821 . . . . 62.420000000000002 108.783 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 101.29 -179.6 28.35 Favored Glycine 0 N--CA 1.426 -1.97 0 CA-C-N 114.565 -1.198 . . . . 42.240000000000002 112.687 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 43.6 mm -91.34 126.8 43.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.491 -0.929 . . . . 74.340000000000003 108.491 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.505 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.0 m-85 -118.77 150.12 40.33 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 122.836 0.454 . . . . 72.530000000000001 110.679 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.436 HG12 ' CG1' ' A' ' 603' ' ' VAL . 93.3 t -71.77 130.87 35.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.569 -0.741 . . . . 72.420000000000002 109.997 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -88.08 -64.55 1.13 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.875 -0.787 . . . . 74.409999999999997 108.875 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 22.5 p -149.38 157.56 43.42 Favored 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 114.209 -1.36 . . . . 74.129999999999995 109.606 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.64 134.7 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 C-N-CA 123.409 0.684 . . . . 74.319999999999993 110.4 176.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.68 115.16 28.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 106.739 -1.578 . . . . 72.140000000000001 106.739 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -50.91 -32.09 19.6 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.133 1.161 . . . . 64.230000000000004 114.133 -173.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -93.93 42.79 2.48 Favored Glycine 0 C--N 1.299 -1.517 0 C-N-CA 121.268 -0.492 . . . . 74.120000000000005 111.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -126.79 152.75 18.63 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.893 -0.883 . . . . 50.299999999999997 110.893 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 112.478 0.547 . . . . 74.430000000000007 112.478 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -72.92 -26.75 61.51 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-O 121.976 0.893 . . . . 72.409999999999997 109.443 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.3 m -76.28 -52.27 10.32 Favored 'General case' 0 C--N 1.275 -2.666 0 CA-C-N 113.721 -1.581 . . . . 73.420000000000002 109.685 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.51 -51.63 14.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.629 0.603 . . . . 65.219999999999999 112.629 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.81 -51.44 9.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.041 0.448 . . . . 74.310000000000002 111.832 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -78.85 -32.05 41.89 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.179 -0.918 . . . . 75.239999999999995 115.194 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.18 35.13 18.59 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.399 -1.334 . . . . 75.349999999999994 107.399 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 3.0 tt -56.37 129.54 40.95 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.826 0.822 . . . . 75.230000000000004 111.142 -171.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.794 ' HD3' ' OD2' ' A' ' 640' ' ' ASP . 7.1 ptm180 -54.63 -26.2 31.43 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 118.419 2.748 . . . . 72.010000000000005 118.419 -167.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 70.0 t 75.65 145.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 118.504 0.593 . . . . 71.510000000000005 112.159 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 621' ' ' VAL . 66.3 t30 60.59 26.28 15.98 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.691 1.596 . . . . 73.439999999999998 109.656 -176.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.89 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 13.0 t70 -96.04 157.57 15.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 CA-C-N 114.648 -1.16 . . . . 63.039999999999999 108.416 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.94 117.83 35.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.835 -0.802 . . . . 61.43 108.835 -176.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.417 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.2 mp -72.39 109.91 6.43 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.518 0.727 . . . . 75.150000000000006 111.082 -176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.444 HG23 HD22 ' A' ' 651' ' ' LEU . 47.5 mm -86.93 -64.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.372 -0.831 . . . . 75.409999999999997 111.659 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 648' ' ' GLU . . . -123.4 142.53 50.88 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.613 0.598 . . . . 61.340000000000003 112.613 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.95 119.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.494 -0.775 . . . . 53.340000000000003 109.22 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 677' ' ' GLN . 86.6 m-20 53.07 24.57 3.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.809 0.814 . . . . 73.5 112.362 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 116.7 -33.91 4.88 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-N 114.888 -1.051 . . . . 55.43 113.99 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 644' ' ' ALA . 11.9 pt-20 -90.55 131.59 36.19 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 115.003 1.483 . . . . 63.439999999999998 115.003 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.1 m -81.25 137.82 35.81 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.438 -1.256 . . . . 63.119999999999997 110.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 658' ' ' ALA . 83.5 mt -100.39 17.13 22.31 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.0 0.52 . . . . 71.310000000000002 111.364 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.444 HD21 ' N ' ' A' ' 651' ' ' LEU . 2.9 mm? -84.05 -1.57 55.07 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.677 0.621 . . . . 74.219999999999999 112.677 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -105.99 16.68 42.57 Favored Glycine 0 C--N 1.308 -0.988 0 C-N-CA 120.755 -0.736 . . . . 70.439999999999998 111.61 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -150.76 159.1 44.75 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 122.815 0.446 . . . . 53.420000000000002 109.797 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.06 170.65 15.02 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.197 0.311 . . . . 74.140000000000001 111.025 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -52.35 -47.51 66.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.753 0.821 . . . . 62.310000000000002 112.156 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.6 tt0 -63.52 -46.76 84.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.358 -0.383 . . . . 64.209999999999994 110.861 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -61.14 -39.45 90.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.586 0.707 . . . . 72.129999999999995 109.269 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' ' 650' ' ' LEU . . . -59.78 -47.77 84.36 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 114.807 -1.088 . . . . 73.409999999999997 109.839 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.2 mtt -60.13 -43.74 95.43 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 112.086 0.402 . . . . 63.140000000000001 112.086 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 43.6 mm-40 -61.41 -41.81 97.74 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.043 0.449 . . . . 61.32 110.452 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 46.3 m -70.72 -43.01 69.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.82 -0.627 . . . . 75.209999999999994 109.31 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 43.0 tp -55.18 -54.0 48.89 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.198 0.999 . . . . 73.319999999999993 111.398 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -56.72 -36.0 69.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.884 0.373 . . . . 72.519999999999996 111.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.22 -50.26 14.94 Favored 'General case' 0 C--O 1.205 -1.287 0 CA-C-N 116.331 -0.395 . . . . 73.299999999999997 110.943 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -28.43 65.79 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 113.0 0.741 . . . . 71.200000000000003 113.0 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.613 ' SD ' HG22 ' B' ' 784' ' ' ILE . 23.9 ptm -72.46 -30.08 64.25 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.047 -0.661 . . . . 70.329999999999998 110.274 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.5 -50.49 5.59 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.885 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 23.0 m -72.95 -50.02 25.83 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 120.771 0.32 . . . . 74.409999999999997 111.202 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -28.06 29.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.36 -0.382 . . . . 72.319999999999993 111.345 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 666' ' ' MET . . . -57.46 -60.2 9.44 Favored Glycine 0 CA--C 1.51 -0.269 0 CA-C-N 116.139 -0.482 . . . . 64.030000000000001 113.526 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -72.89 -15.36 61.59 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.227 0.537 . . . . 73.430000000000007 111.515 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -75.02 -45.3 42.75 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.19 -0.67 . . . . 70.400000000000006 109.19 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -71.09 -30.91 67.15 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.309 -0.86 . . . . 74.019999999999996 110.885 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 97.55 -22.78 38.98 Favored Glycine 0 C--O 1.246 0.844 0 N-CA-C 109.863 -1.295 . . . . 65.219999999999999 109.863 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' MET . . . . . 0.451 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 26.6 ptt? -148.05 160.93 42.35 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.336 -1.357 . . . . 65.329999999999998 107.336 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.429 HD13 HD11 ' A' ' 601' ' ' LEU . 7.7 tt -110.1 132.06 59.41 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.059 0 CA-C-O 121.523 0.678 . . . . 71.239999999999995 109.675 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . 0.449 ' HG3' ' HG2' ' A' ' 590' ' ' GLU . 63.5 tt0 -99.98 127.37 46.19 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.046 -0.979 . . . . 75.310000000000002 109.981 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.2 mm? -127.64 127.56 43.99 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.732 -0.84 . . . . 75.299999999999997 108.732 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.445 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 1.9 mp -103.23 126.89 57.52 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.777 0 N-CA-C 104.894 -2.262 . . . . 71.109999999999999 104.894 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.89 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 30.9 m -122.53 164.96 19.08 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.401 0 N-CA-C 109.089 -0.708 . . . . 72.340000000000003 109.089 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.48 130.93 28.92 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.097 0.475 . . . . 60.219999999999999 111.047 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 N--CA 1.421 -1.896 0 C-N-CA 119.702 -0.799 . . . . 72.219999999999999 110.824 179.589 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 N--CA 1.433 -1.294 0 CA-C-O 121.622 0.725 . . . . 74.340000000000003 111.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -130.3 145.64 51.8 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 124.304 1.042 . . . . 71.120000000000005 110.933 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.9 tp -144.41 142.05 30.07 Favored 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 123.457 0.703 . . . . 74.049999999999997 109.399 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 3.2 mp -101.71 137.42 29.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.571 -0.9 . . . . 74.230000000000004 108.571 170.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.613 HG22 ' SD ' ' A' ' 666' ' ' MET . 11.4 pt . . . . . 0 N--CA 1.425 -1.704 0 CA-C-O 117.709 -1.138 . . . . 71.519999999999996 111.577 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.435 -1.225 0 CA-C-O 120.953 0.406 . . . . 73.120000000000005 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 643' ' ' ILE . 7.4 m-30 -90.96 143.42 26.74 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.589 -0.732 . . . . 74.209999999999994 110.325 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.08 129.67 48.42 Favored 'General case' 0 C--N 1.275 -2.646 0 N-CA-C 107.203 -1.406 . . . . 61.32 107.203 176.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' THR . . . . . 0.44 ' HB ' HG13 ' A' ' 679' ' ' ILE 0.253 10.3 t -116.17 124.73 51.03 Favored 'General case' 0 C--N 1.257 -3.422 0 C-N-CA 118.735 -1.186 . . . . 75.420000000000002 111.412 177.275 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -110.98 133.65 53.22 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.783 -1.099 . . . . 64.239999999999995 109.034 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -109.07 128.1 54.69 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.319 -0.623 . . . . 51.439999999999998 109.319 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.428 ' HB ' HG21 ' A' ' 676' ' ' ILE . 40.5 t -121.68 121.52 28.23 Favored Pre-proline 0 C--N 1.291 -1.951 0 CA-C-N 115.266 -0.879 . . . . 74.439999999999998 108.658 -172.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . 0.436 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 96.0 Cg_endo -79.49 135.81 12.01 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 120.968 1.112 . . . . 52.229999999999997 111.123 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.28 75.23 5.85 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.94 0.876 . . . . 65.150000000000006 109.364 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.436 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 19.1 m120 -128.66 -60.7 1.09 Allowed 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.351 -1.295 . . . . 73.420000000000002 111.509 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . 0.416 ' C ' ' HG ' ' A' ' 596' ' ' SER . 31.5 t70 -121.29 73.65 1.05 Allowed 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.003 0.906 . . . . 75.310000000000002 110.573 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.416 ' HG ' ' C ' ' A' ' 595' ' ' ASP . 49.5 m -154.38 19.19 0.48 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.919 -1.491 . . . . 75.219999999999999 108.177 176.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.89 77.49 Favored Glycine 0 C--N 1.305 -1.165 0 CA-C-N 114.735 -1.12 . . . . 43.210000000000001 110.328 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 25.9 m -70.73 -16.81 62.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.875 -0.663 . . . . 74.530000000000001 110.246 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -139.42 -80.86 0.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.442 0.639 . . . . 72.129999999999995 111.32 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -177.31 -62.06 0.06 OUTLIER Glycine 0 C--N 1.286 -2.234 0 N-CA-C 106.474 -2.65 . . . . 61.539999999999999 106.474 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.463 ' HG ' ' HE2' ' A' ' 666' ' ' MET . 19.8 mt -122.33 -39.42 2.57 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 106.273 -1.751 . . . . 71.120000000000005 106.273 167.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 101.57 46.8 1.61 Allowed Glycine 0 N--CA 1.403 -3.561 0 CA-C-N 113.739 -1.573 . . . . 65.540000000000006 110.692 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.9 t -137.58 152.51 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 N-CA-C 107.05 -1.463 . . . . 61.25 107.05 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 38.4 m -112.56 134.0 54.32 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.337 -1.357 . . . . 64.329999999999998 107.337 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.5 HG12 ' CD2' ' A' ' 642' ' ' LEU . 5.0 m -127.5 158.91 38.64 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 CA-C-O 121.202 0.525 . . . . 74.219999999999999 111.524 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -148.73 151.59 35.14 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.368 -0.833 . . . . 64.230000000000004 109.721 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.55 145.36 15.91 Favored Glycine 0 N--CA 1.416 -2.684 0 C-N-CA 119.845 -1.169 . . . . 53.039999999999999 110.959 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.424 HD21 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -116.12 132.41 56.67 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.816 -1.55 . . . . 74.409999999999997 106.816 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.641 ' HG3' ' ND2' ' A' ' 655' ' ' ASN . 57.9 mtm180 -116.77 151.1 37.16 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 112.724 0.639 . . . . 73.150000000000006 112.724 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--N 1.309 -1.194 0 CA-C-N 114.864 -1.062 . . . . 75.109999999999999 109.993 176.355 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 107.022 -1.473 . . . . 73.099999999999994 107.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -120.66 152.53 38.09 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 106.966 -1.494 . . . . 73.109999999999999 106.966 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.17 -11.67 23.99 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.429 -0.582 . . . . 64.129999999999995 109.429 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 99.31 -175.08 27.93 Favored Glycine 0 C--N 1.309 -0.919 0 CA-C-N 115.042 -0.981 . . . . 75.430000000000007 112.836 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.3 mm -91.66 126.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 C-N-CA 122.964 0.505 . . . . 44.340000000000003 109.716 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.1 m-85 -120.26 151.32 39.34 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 116.124 -0.489 . . . . 71.120000000000005 110.045 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.22 136.25 26.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 116.236 -0.438 . . . . 73.329999999999998 109.878 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.433 ' HB2' ' HZ2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -110.88 -37.72 5.32 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.138 0.494 . . . . 74.329999999999998 110.908 178.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 32.9 t -150.51 144.16 25.17 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 109.419 -0.585 . . . . 71.239999999999995 109.419 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.9 mp -102.36 129.17 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 108.154 -1.054 . . . . 72.319999999999993 108.154 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.426 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.7 mt -93.51 113.08 27.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 121.297 0.57 . . . . 64.5 109.648 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -80.5 86.78 5.76 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.651 0.739 . . . . 73.129999999999995 110.501 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 178.04 -32.04 0.07 OUTLIER Glycine 0 C--N 1.295 -1.744 0 N-CA-C 110.144 -1.183 . . . . 63.43 110.144 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.31 40.67 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.578 -0.82 . . . . 52.210000000000001 111.617 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.12 65.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 55.219999999999999 111.058 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.11 -26.83 68.72 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.407 0.622 . . . . 75.129999999999995 110.7 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 44.3 t -77.84 -47.29 19.19 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.317 -0.856 . . . . 74.340000000000003 109.869 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -49.9 21.75 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.111 -0.495 . . . . 74.409999999999997 111.576 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.18 -43.02 29.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 111.953 0.353 . . . . 74.450000000000003 111.953 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -84.31 -43.53 6.97 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 119.823 -1.18 . . . . 73.329999999999998 114.354 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 635' ' ' ARG . 2.3 mmp_? 54.54 74.92 0.32 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.224 0.535 . . . . 64.329999999999998 111.791 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 636' ' ' LEU . 5.2 mp -92.66 -177.33 4.53 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.153 -0.476 . . . . 71.030000000000001 109.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 640' ' ' ASP . 12.0 ptp180 -129.71 164.08 24.75 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.195 -0.669 . . . . 72.140000000000001 109.195 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.73 145.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 108.289 -1.004 . . . . 71.140000000000001 108.289 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.59 20.79 4.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.189 0.996 . . . . 72.409999999999997 110.23 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 7.4 t70 -92.23 149.82 21.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.654 -0.869 . . . . 61.039999999999999 108.654 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -93.84 125.49 38.49 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 112.733 0.642 . . . . 73.310000000000002 112.733 -172.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.5 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.8 mp -85.62 110.9 19.59 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.582 0.706 . . . . 63.509999999999998 110.26 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.4 HG22 ' CE2' ' A' ' 586' ' ' PHE . 43.8 mm -85.8 -57.03 4.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.152 -0.931 . . . . 65.150000000000006 110.518 -176.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.31 155.91 44.03 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.76 -0.655 . . . . 71.409999999999997 111.409 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 678' ' ' LEU . 12.7 p -133.5 129.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.122 -0.696 . . . . 74.319999999999993 109.122 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 47.73 36.41 5.67 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.501 0.667 . . . . 71.120000000000005 112.484 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 80.5 -1.05 83.75 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 115.211 -0.904 . . . . 53.25 115.094 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.493 ' OE1' HG23 ' A' ' 661' ' ' THR . 0.3 OUTLIER -94.71 129.82 41.47 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.329 -1.36 . . . . 50.039999999999999 107.329 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.5 m -82.02 106.28 13.8 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.534 0.683 . . . . 63.409999999999997 112.643 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.89 -28.62 44.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.774 -0.648 . . . . 73.010000000000005 109.767 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 53.4 tp -65.77 -13.57 59.65 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.749 -0.659 . . . . 52.350000000000001 111.851 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -91.51 -4.78 67.67 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.639 -0.791 . . . . 73.230000000000004 112.322 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -130.27 163.16 27.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.32 -0.252 . . . . 74.209999999999994 110.32 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.29 161.68 28.78 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.002 0.189 . . . . 73.409999999999997 110.981 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.641 ' ND2' ' HG3' ' A' ' 609' ' ' ARG . 57.5 m-20 -51.03 -48.29 61.52 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.343 0.657 . . . . 75.209999999999994 112.557 -175.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.53 -36.67 79.15 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.652 -0.704 . . . . 71.209999999999994 112.298 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.83 -38.54 76.56 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.998 -1.112 . . . . 75.230000000000004 107.998 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.55 96.82 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.132 -1.395 . . . . 60.539999999999999 110.996 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 mtt -62.22 -41.95 98.86 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.488 0.551 . . . . 71.299999999999997 112.488 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.58 -41.37 98.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.296 0.569 . . . . 72.430000000000007 109.611 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' THR . . . . . 0.493 HG23 ' OE1' ' A' ' 648' ' ' GLU . 86.4 m -71.09 -39.24 72.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.279 -0.873 . . . . 74.140000000000001 110.469 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.603 ' O ' ' HG3' ' A' ' 666' ' ' MET . 36.2 tp -59.54 -56.07 26.54 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.725 0.81 . . . . 61.009999999999998 111.687 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.88 -36.36 83.08 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.208 0.528 . . . . 74.239999999999995 110.563 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.03 -50.08 74.79 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.02 -0.991 . . . . 72.120000000000005 110.449 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 40.2 m -64.07 -34.37 77.88 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 116.439 -0.346 . . . . 64.140000000000001 110.669 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 83.5 mtp -66.55 -41.23 88.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.129 0.49 . . . . 54.539999999999999 109.8 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.9 t -78.82 -55.71 4.95 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.525 -0.761 . . . . 74.109999999999999 110.896 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 58.4 m -69.94 -54.32 13.86 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.145 -0.479 . . . . 54.43 112.081 -175.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.985 0.735 . . . . 74.25 112.985 -176.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.56 -52.11 54.87 Favored Glycine 0 C--N 1.315 -0.625 0 C-N-CA 121.222 -0.513 . . . . 74.140000000000001 112.655 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.11 -12.99 60.43 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.504 0.669 . . . . 64.519999999999996 110.672 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . 0.476 ' HZ2' ' HB2' ' A' ' 672' ' ' LYS . 4.7 ttmp? -84.01 -40.74 18.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.29 0.567 . . . . 73.120000000000005 110.702 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -90.41 -22.59 21.37 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.043 -0.526 . . . . 75.140000000000001 110.427 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.12 -29.73 10.75 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.802 -0.919 . . . . 62.340000000000003 110.802 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.7 ptm -135.44 150.72 49.92 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.962 -0.755 . . . . 73.430000000000007 108.962 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.428 HG21 ' HB ' ' A' ' 591' ' ' VAL . 7.9 tt -111.09 141.0 27.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 115.451 -0.795 . . . . 74.219999999999999 110.329 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -106.92 135.46 48.44 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.727 -0.67 . . . . 73.319999999999993 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 645' ' ' VAL . 1.7 mm? -127.78 123.7 35.88 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.878 -1.156 . . . . 55.409999999999997 107.878 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.44 HG13 ' HB ' ' A' ' 588' ' ' THR . 2.6 mp -108.57 119.74 58.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 107.291 -1.374 . . . . 73.310000000000002 107.291 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.454 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.8 m -122.59 173.25 8.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.174 -0.676 . . . . 73.400000000000006 109.174 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -137.66 126.05 23.35 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 120.892 0.377 . . . . 73.040000000000006 111.586 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 . . . . . 0 N--CA 1.417 -2.087 0 N-CA-C 107.761 -1.2 . . . . 64.430000000000007 107.761 175.227 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.199 -1.6 0 N-CA-C 110.299 -0.26 . . . . 75.120000000000005 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -117.74 138.41 52.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 112.892 0.701 . . . . 74.329999999999998 112.892 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 60.7 tp -140.43 134.95 31.51 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 115.349 -0.841 . . . . 73.439999999999998 110.376 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -104.14 125.81 58.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.54 -0.911 . . . . 73.519999999999996 108.54 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.402 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 19.9 pt . . . . . 0 N--CA 1.411 -2.389 0 CA-C-O 117.934 -1.032 . . . . 72.409999999999997 109.276 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.784 -1.191 . . . . 72.310000000000002 107.784 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.72 132.66 54.48 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.77 0.655 . . . . 75.349999999999994 112.77 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.64 140.25 51.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.217 -0.447 . . . . 72.409999999999997 109.89 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 43.0 m -116.15 122.41 44.99 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.897 -0.592 . . . . 73.099999999999994 109.936 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -125.88 141.44 51.98 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.534 -0.303 . . . . 73.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.33 127.11 54.39 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.655 0.74 . . . . 74.049999999999997 110.437 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 91.9 t -117.85 117.39 35.65 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 114.469 -1.242 . . . . 71.120000000000005 108.927 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . 0.416 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 78.8 Cg_endo -77.39 145.38 23.78 Favored 'Trans proline' 0 N--CA 1.44 -1.657 0 C-N-CA 121.128 1.219 . . . . 71.409999999999997 110.139 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.15 78.87 5.6 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.906 -1.146 . . . . 71.140000000000001 107.906 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -129.22 120.87 26.49 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.331 -1.304 . . . . 75.400000000000006 111.109 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.0 t70 76.84 -37.1 0.27 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.963 1.705 . . . . 74.430000000000007 111.628 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.577 ' HB2' ' O ' ' A' ' 599' ' ' ALA . 22.6 p -78.55 100.14 6.8 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 122.226 1.012 . . . . 61.130000000000003 110.207 174.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -117.24 -32.91 1.42 Allowed Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 113.872 -1.513 . . . . 72.439999999999998 110.661 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.7 p -77.07 -21.19 54.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.259 1.028 . . . . 72.340000000000003 109.643 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 596' ' ' SER . . . -137.23 137.12 38.74 Favored 'General case' 0 N--CA 1.393 -3.283 0 N-CA-C 104.763 -2.31 . . . . 63.119999999999997 104.763 174.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -68.15 -57.32 8.66 Favored Glycine 0 C--N 1.283 -2.373 0 N-CA-C 110.359 -1.096 . . . . 51.549999999999997 110.359 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.55 ' CD1' ' HE2' ' A' ' 666' ' ' MET . 7.0 mp -109.95 -27.65 9.13 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 109.019 -0.734 . . . . 72.510000000000005 109.019 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.461 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 78.09 52.65 5.2 Favored Glycine 0 N--CA 1.399 -3.788 0 N-CA-C 109.802 -1.319 . . . . 63.149999999999999 109.802 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.3 152.25 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.32 0 N-CA-C 106.209 -1.774 . . . . 74.140000000000001 106.209 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 30.6 m -114.13 133.12 55.78 Favored 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 106.944 -1.502 . . . . 75.030000000000001 106.944 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.412 HG12 ' CD2' ' A' ' 642' ' ' LEU . 1.8 m -124.33 161.68 27.03 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.753 0 CA-C-N 116.099 -0.5 . . . . 75.409999999999997 111.663 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.37 154.37 37.65 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.33 -0.85 . . . . 62.229999999999997 109.239 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.17 126.27 8.6 Favored Glycine 0 C--N 1.288 -2.118 0 C-N-CA 118.874 -1.632 . . . . 64.430000000000007 112.605 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -95.48 130.52 42.28 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 106.649 -1.612 . . . . 54.030000000000001 106.649 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -134.44 134.23 41.37 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 116.586 -0.279 . . . . 75.239999999999995 111.459 -175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.426 -1.625 0 N-CA-C 107.24 -1.393 . . . . 75.540000000000006 107.24 174.648 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 108.879 -0.786 . . . . 55.130000000000003 108.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.73 157.7 17.28 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 121.118 0.485 . . . . 75.530000000000001 110.334 -176.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.8 mt -98.48 -7.28 28.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.081 -1.081 . . . . 75.319999999999993 108.081 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 109.01 -171.96 15.9 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.47 -1.241 . . . . 75.310000000000002 111.835 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.1 mm -97.42 131.04 45.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.249 -1.019 . . . . 71.200000000000003 108.249 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -122.42 146.04 47.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 110.083 -0.34 . . . . 70.430000000000007 110.083 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.45 128.19 27.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.77 -0.456 . . . . 72.519999999999996 109.77 172.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -98.95 -44.06 6.47 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 116.302 -0.408 . . . . 74.439999999999998 110.637 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 29.5 t -150.13 146.37 26.86 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 109.251 -0.648 . . . . 72.409999999999997 109.251 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.33 138.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.681 -0.859 . . . . 72.530000000000001 108.681 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -98.29 117.04 42.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.981 -0.748 . . . . 72.25 108.981 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -66.62 131.31 45.72 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.971 -0.559 . . . . 70.540000000000006 110.063 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.86 -23.98 22.6 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 110.923 -0.871 . . . . 62.229999999999997 110.923 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -69.27 144.09 40.36 Favored Glycine 0 N--CA 1.434 -1.489 0 C-N-CA 120.877 -0.677 . . . . 73.230000000000004 111.903 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.4 76.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.367 0.267 . . . . 73.109999999999999 111.657 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -65.8 -26.43 67.69 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.119 0.485 . . . . 75.140000000000001 111.034 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 36.3 t -76.16 -48.38 20.77 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.652 -0.869 . . . . 73.519999999999996 108.652 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.91 -52.13 39.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.76 -0.654 . . . . 54.130000000000003 111.338 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.43 -51.61 9.15 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.571 0.952 . . . . 74.430000000000007 113.571 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.14 -42.25 9.61 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.795 -0.717 . . . . 65.450000000000003 114.876 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 65.35 33.96 8.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.104 0.452 . . . . 73.319999999999993 111.611 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.82 160.07 18.18 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.886 0.374 . . . . 63.240000000000002 110.625 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.496 ' HE ' ' CG ' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -114.0 179.52 3.93 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.664 -0.815 . . . . 71.140000000000001 112.273 -176.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.2 t -81.13 141.66 14.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 108.435 -0.95 . . . . 74.0 108.435 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 67.9 31.76 5.52 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 122.985 1.374 . . . . 74.430000000000007 107.727 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.496 ' CG ' ' HE ' ' A' ' 637' ' ' ARG . 22.5 t0 -92.07 125.62 36.83 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.106 -1.812 . . . . 75.25 106.106 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.61 116.58 29.09 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.248 0.547 . . . . 63.020000000000003 111.182 -170.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.5 mp -74.1 109.8 7.88 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 123.933 0.893 . . . . 73.099999999999994 111.178 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.57 -56.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 124.013 0.925 . . . . 75.430000000000007 111.042 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.89 146.03 40.64 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 114.837 -1.074 . . . . 64.219999999999999 108.757 -176.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 8.5 p -130.67 136.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.811 -0.44 . . . . 72.420000000000002 109.811 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.408 ' HB3' ' HG3' ' A' ' 669' ' ' GLU . 17.8 m120 62.3 16.19 8.26 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.181 0.992 . . . . 75.549999999999997 111.626 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.24 -5.24 67.93 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.462 -0.79 . . . . 74.329999999999998 111.51 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.92 127.38 47.42 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.043 0.449 . . . . 71.510000000000005 110.125 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.2 p -81.51 134.74 35.56 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.738 -0.664 . . . . 54.5 110.613 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -135.54 5.3 3.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 120.777 -0.369 . . . . 70.140000000000001 111.283 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.19 95.26 2.07 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 121.091 0.472 . . . . 65.230000000000004 110.178 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 149.28 38.87 0.04 OUTLIER Glycine 0 C--N 1.304 -1.225 0 CA-C-N 115.242 -0.89 . . . . 74.299999999999997 111.885 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 653' ' ' LYS . 0.3 OUTLIER -148.25 177.07 9.72 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.899 -0.778 . . . . 63.229999999999997 108.899 179.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -68.97 158.94 33.69 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.94 -0.304 . . . . 51.200000000000003 110.669 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.5 m120 -64.31 -40.82 96.7 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 116.291 -0.413 . . . . 75.409999999999997 111.19 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.577 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -66.37 -41.04 90.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 72.420000000000002 110.051 178.445 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . 0.445 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 21.4 mm-40 -60.21 -46.0 91.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.378 -0.828 . . . . 72.120000000000005 109.12 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -59.47 -40.89 88.39 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 114.803 -1.09 . . . . 74.209999999999994 110.741 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 63.2 mtt -59.98 -44.44 94.47 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.465 -0.334 . . . . 74.510000000000005 111.606 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.54 -37.99 86.17 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 120.542 -0.463 . . . . 65.209999999999994 110.574 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 49.8 m -63.13 -40.06 96.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 109.602 -0.518 . . . . 61.009999999999998 109.602 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.697 ' O ' ' HG3' ' A' ' 666' ' ' MET . 93.7 mt -62.69 -57.47 10.9 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.006 -0.368 . . . . 73.140000000000001 110.006 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 659' ' ' MET . 64.2 mtp180 -59.14 -41.46 88.33 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.571 0.544 . . . . 75.150000000000006 110.874 -175.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -40.53 92.97 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.733 -0.667 . . . . 75.329999999999998 112.627 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 48.8 m -70.42 -30.89 67.87 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.715 -0.794 . . . . 75.430000000000007 110.065 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.697 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.7 mtp -67.22 -41.56 85.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.661 . . . . 74.219999999999999 109.214 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.2 t -77.64 -52.33 9.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.933 -1.03 . . . . 72.209999999999994 110.951 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.7 m -69.88 -59.31 3.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.083 0.468 . . . . 74.299999999999997 111.43 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . 0.408 ' HG3' ' HB3' ' A' ' 646' ' ' ASN . 1.1 tm-20 -79.15 -41.57 28.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.15 -0.477 . . . . 73.25 109.954 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.5 -21.88 55.32 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 116.22 -0.445 . . . . 63.32 113.454 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -82.27 -27.47 32.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 74.120000000000005 109.968 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -72.15 -63.49 1.13 Allowed 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.061 -0.518 . . . . 73.209999999999994 111.186 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.59 -20.74 27.45 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.616 -0.434 . . . . 74.099999999999994 112.057 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.36 0.84 82.04 Favored Glycine 0 C--N 1.311 -0.837 0 C-N-CA 119.911 -1.138 . . . . 73.019999999999996 111.471 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' MET . . . . . 0.416 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 26.2 ptt? -141.57 155.71 45.75 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 109.989 -0.374 . . . . 74.209999999999994 109.989 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.455 HD13 HD11 ' A' ' 601' ' ' LEU . 9.6 tt -117.63 140.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.263 0 CA-C-N 115.101 -0.954 . . . . 71.209999999999994 109.688 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -108.07 132.3 53.71 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.72 -0.474 . . . . 65.030000000000001 109.72 -178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.5 mm? -121.17 123.74 43.01 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 109.279 -0.638 . . . . 74.030000000000001 109.279 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 91.6 mt -108.14 115.18 48.47 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.418 -1.697 . . . . 74.219999999999999 106.418 174.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.85 152.54 29.31 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.102 0 CA-C-N 115.21 -0.905 . . . . 61.200000000000003 111.291 -174.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.85 132.83 54.45 Favored 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 107.653 -1.24 . . . . 53.229999999999997 107.653 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.456 ' HG3' ' HD2' ' A' ' 637' ' ' ARG . 51.6 ttt180 . . . . . 0 C--N 1.256 -3.496 0 N-CA-C 107.862 -1.162 . . . . 74.540000000000006 107.862 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 N--CA 1.433 -1.295 0 CA-C-O 122.049 0.928 . . . . 65.319999999999993 112.824 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -133.17 149.28 52.06 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.086 1.754 . . . . 71.329999999999998 107.637 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.23 133.12 21.23 Favored 'General case' 0 N--CA 1.41 -2.447 0 N-CA-C 107.81 -1.181 . . . . 74.129999999999995 107.81 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.24 128.71 56.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 108.9 -0.778 . . . . 75.349999999999994 108.9 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 18.3 pt . . . . . 0 N--CA 1.411 -2.397 0 CA-C-O 117.864 -1.065 . . . . 72.239999999999995 111.286 -179.387 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.262 -1.014 . . . . 73.239999999999995 108.262 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 643' ' ' ILE . 10.9 m-30 -92.71 131.33 37.88 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.024 0.44 . . . . 71.150000000000006 111.549 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 94.4 mt -114.12 132.08 56.18 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.131 . . . . 73.310000000000002 107.948 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 68.9 m -113.13 121.43 44.53 Favored 'General case' 0 C--N 1.265 -3.089 0 CA-C-N 115.799 -0.637 . . . . 70.0 109.711 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.96 132.67 56.09 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.771 -0.825 . . . . 72.439999999999998 108.771 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -112.8 132.32 55.31 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.205 -0.598 . . . . 61.420000000000002 109.798 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.14 117.52 26.92 Favored Pre-proline 0 C--N 1.285 -2.239 0 N-CA-C 108.474 -0.936 . . . . 75.319999999999993 108.474 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . 0.422 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 91.6 Cg_endo -80.78 147.21 17.03 Favored 'Trans proline' 0 N--CA 1.43 -2.228 0 C-N-CA 121.002 1.134 . . . . 74.329999999999998 111.456 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 65.93 5.46 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-O 122.701 1.238 . . . . 65.329999999999998 107.882 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -111.03 -72.79 0.7 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 112.991 -1.913 . . . . 72.319999999999993 109.434 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.84 77.28 3.21 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.668 -1.234 . . . . 73.450000000000003 107.668 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 47.7 p -153.44 110.23 3.41 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 113.349 -1.75 . . . . 62.450000000000003 108.657 -175.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -144.78 -35.22 0.07 OUTLIER Glycine 0 N--CA 1.417 -2.594 0 N-CA-C 110.648 -0.981 . . . . 70.040000000000006 110.648 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 39.8 p -86.66 -18.14 32.04 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.48 0.657 . . . . 71.400000000000006 109.991 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -150.99 177.83 9.77 Favored 'General case' 0 N--CA 1.406 -2.632 0 N-CA-C 106.887 -1.523 . . . . 60.439999999999998 106.887 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -90.7 -50.63 2.86 Favored Glycine 0 C--N 1.283 -2.4 0 N-CA-C 109.701 -1.359 . . . . 52.43 109.701 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.75 -39.26 4.05 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.591 -0.892 . . . . 75.430000000000007 108.591 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 93.57 48.73 2.69 Favored Glycine 1 N--CA 1.393 -4.21 0 N-CA-C 109.518 -1.433 . . . . 61.520000000000003 109.518 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.6 152.46 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.6 -1.259 . . . . 74.200000000000003 107.6 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 25.0 m -116.24 131.29 56.98 Favored 'General case' 0 N--CA 1.406 -2.675 0 N-CA-C 107.492 -1.299 . . . . 74.209999999999994 107.492 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 642' ' ' LEU . 2.9 m -124.89 153.33 31.87 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.313 0 CA-C-O 121.413 0.625 . . . . 72.200000000000003 111.218 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -150.54 155.42 39.42 Favored 'General case' 0 C--N 1.268 -2.948 0 CA-C-N 115.218 -0.901 . . . . 50.109999999999999 108.597 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -102.54 128.25 9.48 Favored Glycine 0 C--N 1.281 -2.499 0 C-N-CA 118.694 -1.717 . . . . 74.120000000000005 110.905 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.431 HD21 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -94.07 123.15 37.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 106.364 -1.717 . . . . 73.150000000000006 106.364 -179.087 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.431 ' N ' HD21 ' A' ' 608' ' ' ASN . 35.0 ttm180 -116.05 142.3 46.98 Favored 'General case' 0 C--N 1.275 -2.672 0 N-CA-C 108.408 -0.96 . . . . 74.310000000000002 108.408 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--N 1.302 -1.467 0 N-CA-C 107.934 -1.135 . . . . 73.430000000000007 107.934 174.552 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.133 0 N-CA-C 108.04 -1.096 . . . . 73.109999999999999 108.04 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -82.57 148.13 28.22 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 120.46 -0.496 . . . . 64.420000000000002 110.384 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -95.99 -7.62 35.91 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.342 -1.355 . . . . 64.129999999999995 107.342 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 113.11 -178.42 18.67 Favored Glycine 0 C--O 1.244 0.768 0 CA-C-N 114.28 -1.327 . . . . 63.119999999999997 112.127 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . 0.443 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.9 mm -92.09 126.15 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 107.865 -1.161 . . . . 73.150000000000006 107.865 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.2 m-85 -118.97 148.08 43.36 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.442 0.639 . . . . 63.009999999999998 111.465 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.429 ' HA ' HG11 ' A' ' 605' ' ' VAL . 67.3 t -72.57 118.05 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 107.968 -1.123 . . . . 73.150000000000006 107.968 172.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.585 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -93.76 -44.53 8.1 Favored 'General case' 0 C--N 1.273 -2.726 0 CA-C-N 115.622 -0.717 . . . . 74.0 111.103 -178.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 15.8 m -148.78 135.96 20.13 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 115.736 -0.665 . . . . 65.010000000000005 109.326 -174.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.04 135.7 27.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 107.62 -1.252 . . . . 74.430000000000007 107.62 172.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.0 mt -84.12 111.51 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 N-CA-C 107.134 -1.432 . . . . 72.209999999999994 107.134 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.16 108.7 3.71 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.087 -0.96 . . . . 74.150000000000006 110.689 -174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 130.78 -16.58 5.31 Favored Glycine 0 N--CA 1.431 -1.64 0 CA-C-N 115.22 -0.9 . . . . 60.25 111.369 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -76.14 166.3 54.32 Favored Glycine 0 C--O 1.241 0.544 0 C-N-CA 120.623 -0.799 . . . . 72.230000000000004 111.947 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.56 78.64 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 122.647 -0.325 . . . . 61.210000000000001 111.666 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.47 -26.53 62.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.412 0.625 . . . . 42.43 109.797 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 30.5 t -69.32 -53.19 20.92 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.775 -1.102 . . . . 75.450000000000003 109.456 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -75.65 -51.29 13.13 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 114.896 1.443 . . . . 71.310000000000002 114.896 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.94 -52.55 7.33 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.313 0.857 . . . . 71.219999999999999 113.313 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -75.19 -40.87 33.04 Favored Glycine 0 CA--C 1.501 -0.842 0 CA-C-N 115.554 -0.748 . . . . 43.140000000000001 113.824 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 56.19 80.4 0.15 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.453 1.101 . . . . 60.329999999999998 112.01 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.13 162.23 28.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.816 0.817 . . . . 72.329999999999998 112.769 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.468 ' HD3' ' OD1' ' A' ' 640' ' ' ASP . 6.2 ptm180 -110.64 -9.63 14.52 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 115.832 1.79 . . . . 64.549999999999997 115.832 -164.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 68.9 t 71.15 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 123.468 0.707 . . . . 64.120000000000005 112.691 175.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 61.83 32.39 18.08 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.668 -2.345 . . . . 74.109999999999999 104.668 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.4 t0 -98.66 130.12 45.16 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 111.98 -2.373 . . . . 70.230000000000004 109.28 -173.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -88.54 120.8 30.26 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 112.424 0.527 . . . . 72.230000000000004 112.424 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 605' ' ' VAL . 7.5 mp -78.31 117.63 19.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.455 0.645 . . . . 75.219999999999999 110.571 177.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 651' ' ' LEU . 45.1 mm -95.33 -56.22 5.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 CA-C-N 115.275 -0.875 . . . . 63.25 109.895 -176.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . 0.401 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -143.26 155.49 44.51 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 114.87 -1.059 . . . . 73.329999999999998 110.186 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 13.5 p -136.41 131.51 48.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 109.128 -0.693 . . . . 74.519999999999996 109.128 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.31 28.74 4.49 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.125 0.787 . . . . 73.329999999999998 113.125 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.75 -19.6 51.9 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 120.808 -0.711 . . . . 71.420000000000002 113.618 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -86.77 126.18 34.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.965 -0.754 . . . . 74.150000000000006 108.965 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.5 t -90.57 146.3 24.18 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 120.714 0.292 . . . . 73.319999999999993 110.294 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 1.5 pp -133.39 5.19 3.74 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 113.551 0.945 . . . . 65.010000000000005 113.551 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 643' ' ' ILE . 4.9 tt -73.17 101.11 3.24 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.41 -0.959 . . . . 72.400000000000006 108.41 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 153.07 -29.58 0.8 Allowed Glycine 0 C--N 1.292 -1.904 0 N-CA-C 110.368 -1.093 . . . . 73.409999999999997 110.368 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . 0.557 ' HB3' ' HZ3' ' A' ' 653' ' ' LYS . 0.4 OUTLIER -90.68 169.04 11.32 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 109.074 -0.713 . . . . 73.530000000000001 109.074 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.0 167.84 20.53 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 116.304 -0.407 . . . . 72.400000000000006 111.301 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -53.15 -42.1 65.77 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.358 0.663 . . . . 73.239999999999995 111.681 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.602 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -63.89 -51.47 64.39 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.597 -0.729 . . . . 64.329999999999998 110.224 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.39 -39.94 95.86 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.167 -0.924 . . . . 72.129999999999995 109.701 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.56 88.24 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 115.046 -0.979 . . . . 75.109999999999999 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.468 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.1 mtt -62.65 -40.42 96.97 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 120.093 -0.643 . . . . 41.130000000000003 111.831 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.0 mt-10 -59.32 -45.49 91.19 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.032 0.444 . . . . 73.299999999999997 110.154 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 62.2 m -65.83 -48.36 71.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.274 -0.876 . . . . 64.120000000000005 109.555 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.1 -50.64 72.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.297 -0.865 . . . . 63.130000000000003 111.721 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 659' ' ' MET . 92.8 mtt180 -55.03 -47.33 74.9 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.379 0.424 . . . . 74.420000000000002 110.38 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.54 -51.13 66.77 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.59 -0.732 . . . . 74.319999999999993 111.582 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 34.7 m -71.84 -35.34 69.85 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 120.514 -0.475 . . . . 64.219999999999999 111.675 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.533 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 4.1 ppp? -74.94 -32.59 61.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.19 -0.604 . . . . 64.109999999999999 110.801 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 37.5 t -85.25 -53.0 5.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.25 -0.432 . . . . 74.010000000000005 110.115 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 95.5 m -66.05 -54.85 20.71 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.424 -0.353 . . . . 75.230000000000004 111.802 -176.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -90.48 -22.51 21.34 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.907 1.077 . . . . 53.340000000000003 113.907 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.86 -56.89 22.26 Favored Glycine 0 C--N 1.318 -0.438 0 C-N-CA 120.711 -0.757 . . . . 61.140000000000001 112.119 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.57 -21.68 60.28 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 122.685 -0.303 . . . . 74.450000000000003 111.81 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.83 -47.77 61.49 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.186 0.517 . . . . 61.119999999999997 110.534 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -77.38 -31.7 54.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.626 0.727 . . . . 72.040000000000006 109.969 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 102.65 -13.84 56.45 Favored Glycine 0 CA--C 1.502 -0.737 0 N-CA-C 110.308 -1.117 . . . . 71.510000000000005 110.308 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' MET . . . . . 0.422 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 21.9 ptp -148.24 154.58 40.26 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 109.183 -0.673 . . . . 45.109999999999999 109.183 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . . . . . . . . . 7.3 tt -119.43 140.76 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.56 0 CA-C-N 115.146 -0.934 . . . . 74.329999999999998 110.736 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.5 132.62 51.44 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.978 -0.555 . . . . 73.530000000000001 109.888 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.5 mm? -121.8 124.06 43.26 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.972 -0.751 . . . . 74.319999999999993 108.972 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 98.2 mt -110.02 115.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 N-CA-C 108.082 -1.081 . . . . 71.439999999999998 108.082 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.31 165.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 CA-C-N 114.554 -1.203 . . . . 70.430000000000007 109.452 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.66 139.08 52.09 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.612 0.72 . . . . 62.219999999999999 111.725 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.432 ' HA ' ' NH1' ' A' ' 637' ' ' ARG . 35.2 ttt180 . . . . . 0 N--CA 1.413 -2.292 0 N-CA-C 107.356 -1.35 . . . . 75.019999999999996 107.356 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.48 -1.713 0 CA-C-O 122.541 1.163 . . . . 70.349999999999994 107.883 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.585 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 25.8 mt-10 -134.08 141.56 47.21 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 112.637 -2.074 . . . . 71.129999999999995 108.27 -173.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 35.6 tp -125.02 126.47 45.47 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 115.992 -0.549 . . . . 74.120000000000005 109.684 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -100.7 126.34 54.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 N-CA-C 109.001 -0.74 . . . . 74.439999999999998 109.001 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.533 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 27.2 pt . . . . . 0 N--CA 1.414 -2.264 0 CA-C-O 118.676 -0.678 . . . . 62.420000000000002 110.184 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 19.9 mm-40 . . . . . 0 CA--C 1.492 -1.258 0 N-CA-C 110.028 -0.36 . . . . 63.039999999999999 110.028 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . 0.415 ' C ' HD13 ' A' ' 587' ' ' LEU . 89.4 m-85 -100.66 122.72 43.78 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.214 -0.903 . . . . 74.5 110.198 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 586' ' ' PHE . 5.9 mp -122.09 137.12 54.93 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 108.458 -0.941 . . . . 74.299999999999997 108.458 178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 45.4 m -109.48 127.72 54.64 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 115.833 -0.621 . . . . 70.510000000000005 109.836 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -123.96 135.65 53.8 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.428 -0.805 . . . . 74.150000000000006 109.566 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.64 134.35 53.27 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.461 -0.941 . . . . 72.049999999999997 108.461 175.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.416 ' HB ' HG21 ' A' ' 676' ' ' ILE . 84.9 t -126.05 117.76 23.81 Favored Pre-proline 0 C--N 1.285 -2.205 0 CA-C-N 115.918 -0.583 . . . . 61.539999999999999 109.617 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.82 148.1 31.8 Favored 'Trans proline' 0 N--CA 1.44 -1.648 0 C-N-CA 121.279 1.319 . . . . 74.439999999999998 110.461 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.38 82.87 5.47 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.715 0.769 . . . . 74.230000000000004 110.248 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -76.52 -160.85 0.16 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.997 -1.456 . . . . 74.430000000000007 111.317 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -78.12 74.9 4.66 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 121.825 0.821 . . . . 73.25 110.737 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.1 p -110.12 -77.75 0.59 Allowed 'General case' 0 N--CA 1.402 -2.868 0 CA-C-N 114.059 -1.428 . . . . 63.100000000000001 109.312 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 72.91 -63.56 1.59 Allowed Glycine 0 C--N 1.314 -0.654 0 C-N-CA 121.103 -0.57 . . . . 71.310000000000002 112.342 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.5 p -72.41 -28.53 63.03 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.459 0.647 . . . . 74.239999999999995 109.948 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.417 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -116.59 164.54 14.44 Favored 'General case' 1 N--CA 1.372 -4.349 0 N-CA-C 105.227 -2.138 . . . . 75.340000000000003 105.227 169.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -99.44 -62.52 0.83 Allowed Glycine 1 C--N 1.243 -4.62 0 N-CA-C 107.976 -2.05 . . . . 55.009999999999998 107.976 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.47 -30.76 10.34 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.983 -1.108 . . . . 65.109999999999999 108.093 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 83.32 53.79 3.34 Favored Glycine 0 N--CA 1.406 -3.348 0 N-CA-C 109.487 -1.445 . . . . 74.209999999999994 109.487 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.0 t -136.17 153.25 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 106.649 -1.611 . . . . 64.319999999999993 106.649 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.9 m -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.826 -1.175 . . . . 51.240000000000002 107.826 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 642' ' ' LEU . 6.6 m -124.4 159.93 29.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 O-C-N 123.546 0.529 . . . . 75.340000000000003 111.16 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.45 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 62.6 pttt -150.08 155.14 39.33 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-N 115.458 -0.792 . . . . 74.329999999999998 109.104 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -103.71 125.69 8.52 Favored Glycine 0 C--N 1.282 -2.444 0 C-N-CA 118.762 -1.685 . . . . 70.409999999999997 111.505 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.499 HD21 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -94.75 130.13 41.4 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.017 -1.475 . . . . 72.230000000000004 107.017 -179.01 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.499 ' N ' HD21 ' A' ' 608' ' ' ASN . 17.3 ttp180 -133.75 129.86 37.25 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 120.963 0.411 . . . . 74.129999999999995 111.157 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.299 -1.591 0 CA-C-N 115.342 -0.845 . . . . 73.340000000000003 108.741 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 109.877 -0.416 . . . . 72.0 109.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.2 p-10 -79.07 153.11 30.44 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.772 -0.455 . . . . 75.310000000000002 109.772 176.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.53 -5.25 27.19 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.417 -0.957 . . . . 63.439999999999998 108.417 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.52 -166.39 15.08 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.633 -1.167 . . . . 71.430000000000007 112.164 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.9 mm -98.25 133.69 39.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.445 -0.946 . . . . 74.400000000000006 108.445 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 88.4 m-85 -127.59 152.84 47.13 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 122.51 0.324 . . . . 75.340000000000003 110.944 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.06 136.75 24.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.799 -0.637 . . . . 73.120000000000005 109.51 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.453 ' HZ3' ' HB2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -116.57 -35.14 4.32 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.04 0.447 . . . . 73.310000000000002 111.682 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 48.5 m -148.75 138.92 22.34 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.555 -0.293 . . . . 62.229999999999997 110.425 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.28 128.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 108.147 -1.057 . . . . 73.230000000000004 108.147 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.518 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 68.6 mt -90.83 113.92 27.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 109.539 -0.541 . . . . 74.200000000000003 109.539 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -61.5 126.84 28.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.319 -0.855 . . . . 71.420000000000002 109.408 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.79 -22.66 25.52 Favored Glycine 0 C--N 1.303 -1.3 0 N-CA-C 111.038 -0.825 . . . . 74.230000000000004 111.038 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -65.25 153.89 50.47 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.555 -0.322 . . . . 72.299999999999997 112.705 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.946 0.403 . . . . 74.200000000000003 111.121 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.01 -26.8 63.28 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.572 0.701 . . . . 64.519999999999996 109.342 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.0 m -73.31 -51.82 16.15 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 114.414 -1.266 . . . . 63.509999999999998 110.005 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.48 -52.87 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.275 0.472 . . . . 54.210000000000001 112.275 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.52 -51.04 9.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.968 0.729 . . . . 74.120000000000005 112.968 -171.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.65 7.84 Favored Glycine 0 C--N 1.318 -0.43 0 C-N-CA 120.487 -0.863 . . . . 54.140000000000001 114.095 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 68.38 82.77 0.17 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.951 0.882 . . . . 74.120000000000005 110.781 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.51 163.98 12.08 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.09 -0.959 . . . . 74.230000000000004 111.411 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.469 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 9.5 ptt-85 -112.4 163.1 14.82 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.318 -1.31 . . . . 63.100000000000001 111.255 -175.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 47.8 t -81.32 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.122 -0.944 . . . . 72.409999999999997 109.157 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 73.33 18.24 3.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.172 1.389 . . . . 73.409999999999997 112.092 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.83 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 11.9 t70 -81.1 153.14 27.47 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.383 -1.71 . . . . 74.129999999999995 106.383 173.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . 0.418 ' HB2' ' CE2' ' A' ' 620' ' ' PHE . 0.1 OUTLIER -105.47 115.92 31.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 118.525 0.602 . . . . 64.219999999999999 109.638 -174.425 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.7 mp -72.64 118.32 15.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.558 0.694 . . . . 61.43 111.668 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.7 mm -95.06 -62.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.092 -0.958 . . . . 71.349999999999994 111.744 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -132.97 140.73 47.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 115.675 -0.693 . . . . 64.109999999999999 110.958 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.478 HG23 ' CD2' ' A' ' 662' ' ' LEU . 32.8 t -125.08 119.05 54.74 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 N-CA-C 107.741 -1.207 . . . . 72.129999999999995 107.741 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 49.91 44.48 25.33 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.391 0.615 . . . . 43.140000000000001 111.351 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 73.24 0.09 50.75 Favored Glycine 0 CA--C 1.541 1.67 0 CA-C-N 115.192 -0.913 . . . . 73.420000000000002 114.479 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.87 127.1 41.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.362 0.581 . . . . 73.340000000000003 109.494 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 31.5 t -94.07 148.93 21.69 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.677 0.751 . . . . 72.239999999999995 111.932 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.59 -6.63 17.88 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.202 -0.908 . . . . 70.219999999999999 109.804 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.17 100.01 1.59 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.902 -0.59 . . . . 61.210000000000001 111.41 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 132.35 -14.38 5.09 Favored Glycine 0 C--N 1.3 -1.46 0 C-N-CA 120.344 -0.931 . . . . 53.43 112.197 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -110.22 149.22 30.45 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 120.901 -0.32 . . . . 64.510000000000005 110.143 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.91 164.36 3.92 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.909 0.756 . . . . 72.129999999999995 111.813 -177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -54.35 -47.12 72.93 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.806 0.443 . . . . 64.040000000000006 112.047 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.591 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -73.07 -34.99 66.58 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.588 -0.445 . . . . 72.099999999999994 111.302 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -61.53 -46.3 90.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.423 -0.955 . . . . 75.230000000000004 108.423 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.34 -47.34 81.83 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.225 -1.352 . . . . 75.450000000000003 110.622 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.515 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.3 mtt -60.47 -37.13 80.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.855 1.058 . . . . 73.5 113.855 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.42 -48.37 75.64 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.022 -0.733 . . . . 64.0 109.022 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 82.9 m -65.27 -35.15 80.14 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.316 -0.857 . . . . 75.239999999999995 109.714 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 645' ' ' VAL . 2.6 tm? -63.92 -56.11 17.7 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 124.302 1.041 . . . . 70.109999999999999 109.743 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 659' ' ' MET . 80.8 mtp180 -56.77 -46.29 81.55 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.361 0.6 . . . . 72.329999999999998 110.382 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -63.99 -48.29 77.0 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.0 -1.0 . . . . 74.209999999999994 111.949 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 33.6 m -75.66 -32.88 60.36 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.79 -0.764 . . . . 65.129999999999995 111.581 -174.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.516 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 4.3 ppp? -72.52 -30.83 64.83 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.609 -0.437 . . . . 74.299999999999997 110.695 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.06 -55.9 3.27 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 116.111 -0.495 . . . . 72.109999999999999 110.558 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.2 m -62.75 -47.5 83.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.667 0.617 . . . . 74.430000000000007 112.667 -174.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 7.5 tp10 -87.83 -35.6 17.71 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.267 0.556 . . . . 72.219999999999999 109.577 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.25 -51.28 56.12 Favored Glycine 0 C--O 1.238 0.36 0 CA-C-N 116.02 -0.537 . . . . 55.420000000000002 113.141 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -77.67 -2.88 38.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.751 0.786 . . . . 61.130000000000003 110.118 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -87.0 -46.9 9.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.772 -0.649 . . . . 72.219999999999999 109.486 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 14.4 mmt180 -78.84 -27.99 44.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.728 -0.669 . . . . 61.539999999999999 110.193 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.63 -13.36 62.64 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.179 -1.168 . . . . 72.450000000000003 110.179 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 23.1 ptm -148.27 145.81 28.35 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 108.619 -0.882 . . . . 41.520000000000003 108.619 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.416 HG21 ' HB ' ' A' ' 591' ' ' VAL . 6.9 tt -111.25 143.44 21.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.317 0 CA-C-N 115.573 -0.74 . . . . 73.439999999999998 110.424 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -108.94 131.37 55.1 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.141 -0.481 . . . . 73.230000000000004 109.896 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -126.53 124.57 40.32 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.839 -0.43 . . . . 74.420000000000002 109.839 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.3 mp -103.76 121.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 105.93 -1.878 . . . . 65.530000000000001 105.93 170.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.83 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.1 m -122.98 152.93 27.85 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.326 0 O-C-N 123.489 0.493 . . . . 64.349999999999994 109.758 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -127.7 126.15 41.35 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 120.959 0.409 . . . . 53.5 111.654 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 682' ' ' ARG . 6.3 ppt_? . . . . . 0 C--N 1.293 -1.849 0 N-CA-C 107.869 -1.16 . . . . 75.230000000000004 107.869 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 122.144 0.973 . . . . 64.129999999999995 108.722 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.443 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.4 mt-10 -115.81 136.39 53.09 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 113.293 -1.776 . . . . 75.409999999999997 107.871 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 63.9 tp -137.11 130.81 31.77 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 109.851 -0.425 . . . . 73.129999999999995 109.851 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . 0.408 ' N ' HD13 ' B' ' 783' ' ' ILE . 2.4 mp -101.53 127.85 54.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.841 -0.429 . . . . 71.439999999999998 109.841 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.516 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 15.6 pt . . . . . 0 N--CA 1.412 -2.331 0 CA-C-O 118.232 -0.89 . . . . 64.230000000000004 109.771 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 109.825 -0.435 . . . . 74.510000000000005 109.825 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.48 122.46 39.41 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 116.383 -0.372 . . . . 74.510000000000005 111.263 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.38 131.7 54.83 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 116.007 -0.542 . . . . 73.120000000000005 109.723 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 47.8 m -104.37 121.5 43.51 Favored 'General case' 0 C--N 1.266 -3.034 0 CA-C-N 115.21 -0.905 . . . . 70.549999999999997 109.741 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -121.34 126.45 49.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.558 -0.904 . . . . 71.230000000000004 108.558 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.57 120.79 43.28 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 121.558 0.695 . . . . 54.210000000000001 109.599 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 83.7 t -108.04 118.22 53.19 Favored Pre-proline 0 C--N 1.279 -2.469 0 CA-C-N 114.496 -1.229 . . . . 72.109999999999999 109.525 -172.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.02 145.83 31.84 Favored 'Trans proline' 0 N--CA 1.441 -1.567 0 C-N-CA 121.586 1.524 . . . . 65.430000000000007 111.24 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.4 80.24 4.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.663 0.744 . . . . 71.109999999999999 109.5 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 596' ' ' SER . 86.1 m-20 -120.54 -65.61 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.546 -1.206 . . . . 62.100000000000001 110.358 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.47 15.37 3.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.941 0.877 . . . . 71.140000000000001 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 21.6 m -78.45 8.81 4.6 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.071 1.348 . . . . 74.5 112.671 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.38 -22.55 40.28 Favored Glycine 0 N--CA 1.421 -2.366 0 C-N-CA 120.026 -1.083 . . . . 54.119999999999997 111.913 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 23.7 t -92.89 -30.99 15.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.07 0.938 . . . . 74.230000000000004 109.763 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -164.18 155.03 15.41 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 103.907 -2.627 . . . . 72.530000000000001 103.907 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -65.06 -55.82 19.59 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 111.301 -0.719 . . . . 51.100000000000001 111.301 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.498 HD22 HG23 ' A' ' 676' ' ' ILE . 12.0 mt -112.42 -32.65 6.42 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.734 -0.839 . . . . 54.43 108.734 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 91.73 41.05 5.14 Favored Glycine 0 N--CA 1.411 -3.005 0 N-CA-C 109.759 -1.336 . . . . 71.230000000000004 109.759 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.35 152.56 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 N-CA-C 106.912 -1.514 . . . . 72.129999999999995 106.912 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 622' ' ' LYS . 24.7 m -109.92 136.94 48.42 Favored 'General case' 0 C--N 1.267 -2.999 0 N-CA-C 106.265 -1.754 . . . . 54.409999999999997 106.265 171.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.447 HG11 ' HA ' ' A' ' 621' ' ' VAL . 3.7 m -126.67 163.5 28.92 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-O 121.158 0.504 . . . . 75.349999999999994 111.129 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.455 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 60.0 pttt -149.62 152.29 35.18 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.039 -0.982 . . . . 74.540000000000006 109.603 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.8 134.85 12.3 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.908 -1.139 . . . . 62.329999999999998 111.233 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.94 139.63 40.19 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.908 -0.775 . . . . 63.229999999999997 108.908 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -133.18 139.54 47.08 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 108.153 -1.054 . . . . 75.340000000000003 108.153 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.438 -1.029 0 O-C-N 123.914 0.759 . . . . 74.400000000000006 110.406 179.097 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.534 0 N-CA-C 108.598 -0.889 . . . . 50.409999999999997 108.598 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.75 145.09 34.62 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.479 -0.489 . . . . 74.140000000000001 111.082 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.49 -7.61 37.62 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.367 -0.975 . . . . 72.420000000000002 108.367 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.72 -177.64 23.64 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 114.423 -1.262 . . . . 55.210000000000001 112.834 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.3 mm -93.22 130.83 41.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 109.27 -0.641 . . . . 74.310000000000002 109.27 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.3 m-85 -123.83 152.61 42.1 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 122.655 0.382 . . . . 74.209999999999994 110.436 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.447 ' HA ' HG11 ' A' ' 605' ' ' VAL . 68.5 t -66.19 127.08 26.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.798 0.808 . . . . 72.150000000000006 110.672 174.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.449 ' HD2' ' HG2' ' B' ' 781' ' ' GLU . 39.9 tttp -92.87 -59.13 2.13 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 114.263 -1.335 . . . . 64.200000000000003 110.608 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.0 m -150.24 146.46 26.83 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.664 -0.495 . . . . 74.109999999999999 109.664 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.85 130.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.618 -0.512 . . . . 75.140000000000001 109.618 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -91.45 113.28 26.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.055 -1.461 . . . . 74.140000000000001 107.055 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.08 81.28 5.36 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 122.07 0.938 . . . . 74.310000000000002 110.239 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 163.55 45.07 0.02 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 N-CA-C 108.61 -1.796 . . . . 55.119999999999997 108.61 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -148.78 159.32 27.99 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.242 -1.143 . . . . 74.540000000000006 110.242 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.48 72.52 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 112.173 0.435 . . . . 72.219999999999999 112.173 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.31 -26.51 63.81 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.566 0.698 . . . . 72.540000000000006 110.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 12.8 m -72.4 -52.86 14.14 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.74 -1.118 . . . . 73.230000000000004 109.756 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.67 -52.58 10.19 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.462 0.541 . . . . 64.040000000000006 112.462 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.89 -51.26 9.33 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.668 -0.413 . . . . 75.329999999999998 110.747 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -62.63 -42.63 99.67 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.284 -0.871 . . . . 54.43 114.087 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 68.0 32.37 5.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.737 0.415 . . . . 64.239999999999995 111.387 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.98 158.88 34.8 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.982 0.734 . . . . 74.420000000000002 112.982 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 640' ' ' ASP . 1.4 ppt_? -114.74 158.16 22.2 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.514 -1.221 . . . . 75.420000000000002 112.024 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.32 143.85 14.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.325 -0.398 . . . . 64.120000000000005 110.364 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 66.51 29.19 9.2 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.85 1.26 . . . . 64.519999999999996 109.804 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.768 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 9.0 t70 -82.0 146.25 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.728 -1.582 . . . . 71.150000000000006 106.728 173.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.89 112.52 24.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.861 -0.792 . . . . 74.299999999999997 108.861 -176.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.5 mp -73.29 112.82 9.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.61 -0.723 . . . . 72.430000000000007 110.747 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 35.0 mm -90.88 -54.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.27 -0.877 . . . . 54.109999999999999 111.541 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -142.29 152.14 42.7 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.295 0.48 . . . . 71.129999999999995 112.295 -173.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.11 134.85 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.165 -0.47 . . . . 73.109999999999999 110.19 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 45.23 36.07 2.04 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.144 1.164 . . . . 72.239999999999995 114.144 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.02 37.87 Favored Glycine 0 C--N 1.313 -0.715 0 C-N-CA 119.872 -1.156 . . . . 61.43 114.976 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.52 131.76 37.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 118.336 1.068 . . . . 74.040000000000006 111.305 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.6 m -79.32 128.76 33.73 Favored 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 123.574 0.546 . . . . 75.129999999999995 109.749 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.22 -15.98 17.14 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.285 -0.416 . . . . 72.329999999999998 111.098 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 5.3 tt -71.28 93.41 1.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.617 -1.253 . . . . 64.109999999999999 107.617 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.4 -32.39 0.64 Allowed Glycine 0 C--N 1.298 -1.573 0 N-CA-C 109.962 -1.255 . . . . 73.219999999999999 109.962 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -92.63 162.3 14.23 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.325 -0.62 . . . . 72.239999999999995 109.325 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.9 167.34 15.9 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 123.322 0.389 . . . . 54.119999999999997 110.848 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.645 ' O ' ' HG3' ' A' ' 659' ' ' MET . 92.1 m-20 -58.21 -47.95 81.87 Favored 'General case' 0 CA--C 1.492 -1.277 0 C-N-CA 121.3 -0.16 . . . . 70.150000000000006 110.89 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 660' ' ' GLU . 21.4 mt-30 -54.53 -44.77 73.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.244 0.545 . . . . 74.310000000000002 110.518 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -65.07 -48.07 75.07 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.972 -1.013 . . . . 72.219999999999999 109.98 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.22 86.03 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.214 -0.903 . . . . 70.219999999999999 110.979 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.9 mtp -64.75 -40.48 95.36 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.611 -0.268 . . . . 71.409999999999997 110.862 -177.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.5 mt-10 -68.46 -40.4 81.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.805 -0.758 . . . . 61.32 110.432 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.3 m -65.41 -40.02 92.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.24 0.543 . . . . 52.140000000000001 109.857 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 666' ' ' MET . 39.1 tp -59.75 -55.87 28.96 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.164 0.986 . . . . 72.400000000000006 111.633 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 659' ' ' MET . 16.4 ptm180 -68.69 -30.3 68.93 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.244 -0.582 . . . . 74.109999999999999 111.284 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -72.33 -42.42 65.39 Favored 'General case' 0 C--O 1.2 -1.547 0 CA-C-N 116.509 -0.314 . . . . 73.140000000000001 110.995 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 51.3 m -66.39 -34.01 76.99 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.66 -0.416 . . . . 73.150000000000006 111.392 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 662' ' ' LEU . 19.6 ptp -77.16 -18.37 57.89 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.697 -0.401 . . . . 72.510000000000005 111.824 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.2 t -92.57 -55.96 3.2 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.221 0.534 . . . . 74.420000000000002 109.626 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 41.7 m -71.06 -48.33 53.32 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.698 -0.683 . . . . 63.299999999999997 111.906 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.31 -15.33 21.97 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.084 -0.647 . . . . 62.520000000000003 111.754 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -62.92 -71.19 0.87 Allowed Glycine 0 C--O 1.255 1.434 0 N-CA-C 111.075 -0.81 . . . . 43.409999999999997 111.075 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -79.04 79.55 5.43 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.28 -1.007 . . . . 65.25 108.28 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -175.5 -54.9 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.592 -1.64 . . . . 75.140000000000001 107.789 -176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -84.11 -41.34 17.21 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.392 -0.822 . . . . 73.129999999999995 109.678 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 112.91 -24.38 13.04 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.315 -1.114 . . . . 44.109999999999999 110.315 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -146.17 153.71 40.96 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.804 -0.443 . . . . 65.299999999999997 109.804 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.498 HG23 HD22 ' A' ' 601' ' ' LEU . 3.6 tt -111.67 139.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 CA-C-N 115.072 -0.967 . . . . 75.340000000000003 109.73 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -102.39 130.13 49.07 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.227 -0.442 . . . . 72.299999999999997 110.655 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.7 124.03 42.47 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 116.053 -0.521 . . . . 63.299999999999997 109.653 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.7 mp -105.03 119.52 54.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.404 -1.702 . . . . 73.129999999999995 106.404 171.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.768 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 23.4 m -122.78 162.71 22.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 108.717 -0.846 . . . . 71.200000000000003 108.717 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.03 125.97 54.31 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 121.242 0.544 . . . . 72.230000000000004 110.035 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 . . . . . 0 C--N 1.29 -1.992 0 CA-C-O 121.307 0.575 . . . . 75.219999999999999 110.078 -176.566 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.2 mt-10 . . . . . 0 N--CA 1.423 -1.798 0 N-CA-C 108.542 -0.91 . . . . 73.209999999999994 108.542 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.455 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 44.4 mt-10 -118.8 136.86 53.77 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.812 -0.631 . . . . 75.299999999999997 112.19 -175.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . 0.41 ' HB2' ' HE1' ' A' ' 659' ' ' MET . 57.7 tp -135.67 132.41 36.93 Favored 'General case' 0 N--CA 1.422 -1.843 0 CA-C-N 115.312 -0.858 . . . . 60.039999999999999 110.269 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . 0.4 HD13 ' N ' ' B' ' 783' ' ' ILE . 2.0 mp -96.29 121.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 108.098 -1.075 . . . . 74.040000000000006 108.098 170.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.44 ' HB ' ' SD ' ' A' ' 666' ' ' MET . 8.9 pt . . . . . 0 N--CA 1.403 -2.8 0 CA-C-O 117.534 -1.222 . . . . 38.960000000000001 110.864 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.436 -1.152 0 N-CA-C 108.655 -0.869 . . . . 73.510000000000005 108.655 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.12 129.48 54.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.976 0.417 . . . . 73.409999999999997 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.66 131.16 55.48 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.958 -0.756 . . . . 64.409999999999997 108.958 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 37.7 m -110.5 122.07 46.84 Favored 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 115.243 -0.89 . . . . 74.319999999999993 109.063 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -121.27 134.36 55.16 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 108.912 -0.773 . . . . 74.540000000000006 108.912 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.71 113.94 21.41 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.759 -0.83 . . . . 64.049999999999997 108.759 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 98.7 t -110.31 117.18 51.89 Favored Pre-proline 0 C--N 1.27 -2.87 0 CA-C-N 114.453 -1.249 . . . . 73.5 110.871 -169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 148.87 49.93 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.749 1.633 . . . . 65.310000000000002 110.35 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.82 78.98 0.87 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.848 0.832 . . . . 75.219999999999999 111.285 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -114.29 119.15 36.01 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.741 -1.118 . . . . 62.310000000000002 110.636 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 18.5 t70 63.98 24.09 13.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.861 1.315 . . . . 73.340000000000003 108.566 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 49.1 m -75.14 11.06 1.25 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.673 -1.603 . . . . 64.340000000000003 113.473 -175.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.28 -34.49 20.27 Favored Glycine 0 N--CA 1.419 -2.46 0 C-N-CA 119.799 -1.191 . . . . 61.130000000000003 110.874 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -84.09 -43.56 14.94 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.776 0.798 . . . . 74.430000000000007 109.548 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.614 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -149.09 132.87 16.96 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 106.561 -1.644 . . . . 71.409999999999997 106.561 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.98 -60.82 7.43 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 124.006 0.816 . . . . 73.549999999999997 111.988 -173.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.402 HD11 HG23 ' A' ' 676' ' ' ILE . 6.5 mp -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.163 -1.051 . . . . 74.310000000000002 108.163 176.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.434 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 79.71 48.74 6.48 Favored Glycine 0 N--CA 1.402 -3.579 0 CA-C-N 114.421 -1.263 . . . . 52.420000000000002 109.986 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.67 151.14 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 N-CA-C 106.625 -1.621 . . . . 73.340000000000003 106.625 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.7 m -113.43 134.02 54.88 Favored 'General case' 0 N--CA 1.406 -2.626 0 N-CA-C 107.177 -1.416 . . . . 70.510000000000005 107.177 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.451 HG12 ' CD2' ' A' ' 642' ' ' LEU . 2.9 m -124.55 160.75 28.92 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 CA-C-O 121.33 0.586 . . . . 74.439999999999998 111.805 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -149.5 153.06 36.63 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.835 -1.075 . . . . 74.420000000000002 109.452 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -124.85 139.38 11.68 Favored Glycine 0 C--N 1.275 -2.831 0 C-N-CA 119.894 -1.146 . . . . 63.340000000000003 111.792 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -123.58 140.33 53.11 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 120.969 0.414 . . . . 74.209999999999994 111.37 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.515 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 55.3 ttp180 -129.7 125.74 36.67 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.215 -0.661 . . . . 73.109999999999999 109.215 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 N--CA 1.421 -1.901 0 N-CA-C 108.043 -1.095 . . . . 74.510000000000005 108.043 178.799 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.038 0 CA-C-O 121.121 0.486 . . . . 70.25 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 6.4 p-10 -85.14 143.33 28.89 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.929 -0.767 . . . . 72.5 108.929 177.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 74.4 mt -90.97 -10.89 40.7 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.991 -0.744 . . . . 64.099999999999994 108.991 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 94.17 -167.42 27.75 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.023 -0.99 . . . . 52.539999999999999 111.925 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 42.9 mm -99.53 136.34 31.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.509 -0.923 . . . . 61.240000000000002 108.509 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.51 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 94.9 m-85 -128.32 147.25 50.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 123.309 0.381 . . . . 73.5 110.445 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 62.6 t -68.9 126.68 29.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 109.137 -0.69 . . . . 62.310000000000002 109.137 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -98.68 -42.78 7.08 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 120.786 0.327 . . . . 70.319999999999993 111.236 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 31.2 t -149.68 145.03 26.49 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.822 -0.436 . . . . 73.010000000000005 109.822 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.53 129.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 108.963 -0.754 . . . . 63.25 108.963 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.58 120.26 39.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 109.246 -0.65 . . . . 70.230000000000004 109.246 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -68.8 128.63 37.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.022 -0.535 . . . . 70.129999999999995 110.2 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 103.92 -8.19 49.86 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 110.881 -0.887 . . . . 75.340000000000003 110.881 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -74.67 146.59 35.71 Favored Glycine 0 N--CA 1.433 -1.544 0 N-CA-C 110.69 -0.964 . . . . 51.100000000000001 110.69 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.53 84.18 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.964 0.382 . . . . 71.129999999999995 111.395 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.26 70.63 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-O 121.398 0.618 . . . . 72.340000000000003 109.853 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 -52.16 18.88 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.808 -1.087 . . . . 65.319999999999993 109.603 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.73 -50.86 39.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.625 0.602 . . . . 72.409999999999997 112.625 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -79.35 -51.21 9.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 72.140000000000001 112.567 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -82.73 -41.96 8.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.585 -0.734 . . . . 74.319999999999993 114.788 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 64.34 79.08 0.27 Allowed 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.43 0.633 . . . . 74.439999999999998 111.153 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.57 -178.21 4.33 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.92 -0.582 . . . . 74.510000000000005 110.125 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 682' ' ' ARG . 17.4 ptp180 -129.28 168.35 16.35 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.988 -0.551 . . . . 74.209999999999994 110.631 -176.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.3 t -83.0 152.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.279 -1.008 . . . . 71.540000000000006 108.279 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 62.8 31.62 16.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 122.35 1.072 . . . . 71.439999999999998 109.26 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.647 ' OD2' ' HB ' ' A' ' 680' ' ' VAL . 5.5 t70 -97.41 144.14 27.44 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 106.87 -1.53 . . . . 72.140000000000001 106.87 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.19 115.43 28.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.921 0.391 . . . . 75.129999999999995 110.782 -169.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.3 mp -75.49 124.73 27.68 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.507 0.723 . . . . 75.150000000000006 112.365 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.2 mm -102.39 -54.72 6.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.47 -0.786 . . . . 72.420000000000002 111.83 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -141.04 157.23 45.6 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.923 -0.581 . . . . 75.329999999999998 111.487 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.07 131.02 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 115.63 -0.714 . . . . 64.430000000000007 110.317 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.519 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 81.9 m-20 52.67 22.76 2.37 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.963 1.468 . . . . 65.030000000000001 114.963 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.7 -12.49 56.48 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.749 -0.738 . . . . 74.310000000000002 112.911 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -101.74 126.39 48.59 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 109.51 -0.552 . . . . 73.140000000000001 109.51 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 52.8 p -84.88 130.07 34.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.003 0.43 . . . . 75.5 111.962 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.7 pp -110.94 0.56 17.11 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 112.783 0.66 . . . . 72.409999999999997 112.783 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 56.1 tp -80.39 82.99 6.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.654 0.74 . . . . 71.439999999999998 109.816 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.1 0.02 OUTLIER Glycine 0 C--N 1.302 -1.334 0 CA-C-N 114.605 -1.18 . . . . 53.32 110.343 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . 0.529 ' HZ3' ' HB3' ' A' ' 653' ' ' LYS . 0.5 OUTLIER -161.21 179.77 8.09 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.425 -1.324 . . . . 74.430000000000007 107.425 -177.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.1 164.65 26.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.762 0.315 . . . . 37.979999999999997 111.006 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 10.2 m120 -62.19 -47.25 85.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.608 . . . . 75.439999999999998 110.734 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 10.4 pt20 -61.37 -40.26 93.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.863 -0.608 . . . . 75.540000000000006 110.915 178.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -62.22 -45.2 94.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.142 0.496 . . . . 61.310000000000002 109.701 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.46 92.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.145 -0.934 . . . . 71.340000000000003 111.189 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.497 ' HB3' HD22 ' B' ' 782' ' ' LEU . 34.1 mtm -73.66 -28.33 61.71 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 119.569 -0.853 . . . . 75.510000000000005 112.51 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 20.0 mm-40 -65.15 -39.05 92.46 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.76 -0.83 . . . . 75.420000000000002 108.76 171.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.2 m -61.02 -42.16 97.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.359 -0.837 . . . . 64.439999999999998 109.285 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 -53.35 59.23 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.474 -0.33 . . . . 71.209999999999994 110.423 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 659' ' ' MET . 83.8 mtp180 -54.6 -44.96 73.5 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.835 0.709 . . . . 72.299999999999997 110.671 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.9 -50.34 56.79 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.689 -0.687 . . . . 71.319999999999993 111.22 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 19.3 m -68.39 -36.98 79.94 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 111.711 0.263 . . . . 74.25 111.711 -173.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.661 ' SD ' HG22 ' B' ' 784' ' ' ILE . 20.0 ptm -70.54 -23.67 62.67 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.76 -0.376 . . . . 73.310000000000002 110.917 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 45.2 t -92.7 -57.1 2.77 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 116.402 -0.363 . . . . 71.340000000000003 110.097 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 59.7 m -67.46 -53.07 32.09 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.879 -0.601 . . . . 71.319999999999993 111.522 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.85 -41.31 21.19 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.541 -0.464 . . . . 74.209999999999994 111.487 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -52.2 -51.16 43.13 Favored Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.406 0.441 . . . . 74.310000000000002 113.812 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -75.15 -7.91 55.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.441 0.534 . . . . 75.120000000000005 112.441 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.57 -46.19 6.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.443 0.64 . . . . 72.25 109.729 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -70.14 -31.01 68.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.418 -0.81 . . . . 74.120000000000005 110.347 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.0 -22.73 37.91 Favored Glycine 0 C--O 1.238 0.369 0 N-CA-C 110.933 -0.867 . . . . 71.439999999999998 110.933 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 20.9 ptp -145.66 154.87 42.58 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 107.818 -1.178 . . . . 71.010000000000005 107.818 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.519 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 9.5 tt -110.4 130.21 64.09 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-O 121.64 0.733 . . . . 52.32 110.623 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -96.78 128.64 43.93 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 114.838 -1.074 . . . . 61.299999999999997 108.913 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 678' ' ' LEU . 0.7 OUTLIER -130.19 126.14 36.69 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-O 121.506 0.67 . . . . 64.239999999999995 111.194 177.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 88.1 mt -107.41 120.82 59.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-N 114.577 -1.192 . . . . 62.240000000000002 108.446 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.647 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.3 m -123.19 155.61 29.1 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.493 0 CA-C-N 115.126 -0.943 . . . . 73.420000000000002 110.234 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.739 0.781 . . . . 71.310000000000002 111.624 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 637' ' ' ARG . 8.2 tpp180 . . . . . 0 N--CA 1.41 -2.428 0 CA-C-N 114.711 -1.131 . . . . 73.239999999999995 109.908 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 108.591 -0.892 . . . . 63.109999999999999 108.591 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -141.08 131.92 25.89 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.785 0.834 . . . . 75.120000000000005 111.17 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 659' ' ' MET . 44.5 tp -134.78 133.4 39.81 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 115.566 -0.743 . . . . 71.200000000000003 110.248 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.63 128.58 51.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.395 -0.965 . . . . 65.030000000000001 108.395 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.661 HG22 ' SD ' ' A' ' 666' ' ' MET . 18.6 pt . . . . . 0 N--CA 1.418 -2.066 0 CA-C-N 116.867 -0.151 . . . . 63.310000000000002 110.954 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 109.922 -0.399 . . . . 63.439999999999998 109.922 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -97.09 137.65 35.82 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.475 0.917 . . . . 74.319999999999993 113.475 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.66 132.89 41.24 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 115.033 -0.985 . . . . 74.230000000000004 108.946 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 62.8 m -109.47 122.49 47.51 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 115.802 -0.635 . . . . 72.439999999999998 109.507 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -117.59 146.83 43.36 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.825 -0.435 . . . . 62.509999999999998 109.825 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.79 132.98 53.9 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.119 0.485 . . . . 75.109999999999999 110.491 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.458 ' HB ' HG21 ' A' ' 676' ' ' ILE . 61.7 t -125.18 117.79 25.4 Favored Pre-proline 0 C--N 1.282 -2.329 0 CA-C-N 115.503 -0.771 . . . . 65.239999999999995 108.979 -173.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.08 146.58 25.68 Favored 'Trans proline' 0 N--CA 1.435 -1.936 0 N-CA-C 109.072 -1.165 . . . . 63.310000000000002 109.072 173.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.52 73.51 5.07 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.944 0.878 . . . . 70.430000000000007 110.716 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -86.21 -89.25 0.12 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 114.606 -1.179 . . . . 74.120000000000005 112.799 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -88.75 -10.47 48.17 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 109.062 -0.718 . . . . 75.530000000000001 109.062 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 40.3 m -71.85 93.24 1.3 Allowed 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 122.23 1.014 . . . . 72.299999999999997 108.951 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -155.64 -29.96 0.03 OUTLIER Glycine 0 C--N 1.282 -2.451 0 N-CA-C 108.242 -1.943 . . . . 51.149999999999999 108.242 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.4 m -68.44 -26.39 65.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.393 1.092 . . . . 62.229999999999997 108.426 173.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -137.58 -177.56 4.85 Favored 'General case' 0 N--CA 1.4 -2.941 0 N-CA-C 104.77 -2.307 . . . . 64.040000000000006 104.77 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -77.61 -55.91 4.06 Favored Glycine 0 C--N 1.274 -2.875 0 N-CA-C 109.412 -1.475 . . . . 72.230000000000004 109.412 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 676' ' ' ILE . 21.5 mt -122.87 -43.63 2.23 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.975 -1.12 . . . . 75.109999999999999 107.975 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.6 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 110.14 47.84 0.8 Allowed Glycine 0 N--CA 1.399 -3.778 0 N-CA-C 109.253 -1.539 . . . . 51.32 109.253 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.9 t -138.47 152.5 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 107.547 -1.279 . . . . 75.310000000000002 107.547 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 21.5 m -109.97 132.85 53.78 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.741 -1.207 . . . . 72.129999999999995 107.741 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' A' ' 621' ' ' VAL . 3.3 m -124.4 163.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.739 0.781 . . . . 73.0 111.283 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' B' ' 781' ' ' GLU . 22.9 pttp -149.08 153.43 37.79 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 114.652 -1.158 . . . . 74.349999999999994 107.957 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.11 153.79 17.28 Favored Glycine 0 C--N 1.265 -3.415 0 C-N-CA 119.032 -1.556 . . . . 65.109999999999999 111.723 -177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -122.83 128.49 50.47 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.665 0.745 . . . . 64.120000000000005 109.939 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 45.5 ttp180 -129.43 125.79 37.31 Favored 'General case' 0 C--N 1.278 -2.504 0 N-CA-C 107.317 -1.364 . . . . 71.430000000000007 107.317 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.41 -2.441 0 N-CA-C 109.026 -0.731 . . . . 71.420000000000002 109.026 -179.303 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 108.59 -0.893 . . . . 64.129999999999995 108.59 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 654' ' ' ALA . 3.8 m-20 -98.48 151.06 21.01 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.838 -1.171 . . . . 65.340000000000003 107.838 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.53 -23.29 20.96 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.3 -1.0 . . . . 74.219999999999999 108.3 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 117.57 -160.0 13.86 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 114.754 -1.112 . . . . 61.439999999999998 110.884 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.4 mm -110.34 136.62 45.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 108.609 -0.886 . . . . 72.219999999999999 108.609 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 96.0 m-85 -125.2 145.99 49.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.886 0.374 . . . . 75.239999999999995 111.661 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.446 ' HA ' HG11 ' A' ' 605' ' ' VAL . 87.5 t -68.87 139.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.223 -0.658 . . . . 73.209999999999994 109.223 172.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -120.68 -37.14 3.05 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 116.025 -0.534 . . . . 60.119999999999997 112.115 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.4 t -148.64 136.78 21.0 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.757 -0.831 . . . . 74.409999999999997 108.757 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.0 mp -100.26 127.5 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 N-CA-C 108.986 -0.746 . . . . 73.310000000000002 108.986 178.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.6 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 73.9 mt -89.11 121.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 107.741 -1.207 . . . . 72.329999999999998 107.741 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . 0.477 ' O ' ' HE3' ' A' ' 632' ' ' LYS . 3.8 p-10 -58.2 -21.47 47.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.503 0.557 . . . . 71.420000000000002 112.503 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -96.95 67.15 0.89 Allowed Glycine 0 N--CA 1.428 -1.837 0 CA-C-N 115.864 -0.607 . . . . 71.340000000000003 111.749 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -158.62 142.87 8.75 Favored Glycine 0 N--CA 1.417 -2.58 0 C-N-CA 120.199 -1.0 . . . . 62.310000000000002 112.078 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.29 -29.69 70.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.956 0.407 . . . . 64.120000000000005 110.605 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.402 ' HA ' HG23 ' A' ' 591' ' ' VAL . . . -65.91 -42.05 90.68 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 121.555 0.693 . . . . 71.120000000000005 109.542 177.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 635' ' ' ARG . 14.8 m -67.3 -42.9 82.94 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 113.754 -1.566 . . . . 73.019999999999996 110.717 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 626' ' ' ASN . 34.0 mmtp -75.1 -51.56 13.18 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.052 -0.522 . . . . 71.150000000000006 112.386 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.96 -52.05 8.79 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.223 0.823 . . . . 63.32 113.223 -174.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.59 -16.72 54.5 Favored Glycine 0 C--O 1.243 0.711 0 C-N-CA 120.704 -0.76 . . . . 41.409999999999997 113.063 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 631' ' ' SER . 30.5 ttm180 66.79 -60.69 0.34 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.656 1.582 . . . . 72.030000000000001 113.716 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 95.1 mt 62.13 -173.63 0.14 Allowed 'General case' 0 C--O 1.252 1.202 0 C-N-CA 123.476 0.71 . . . . 72.319999999999993 110.399 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.467 HH11 ' CG ' ' A' ' 640' ' ' ASP . 0.6 OUTLIER -155.21 173.12 17.07 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.581 -0.525 . . . . 70.540000000000006 109.581 176.265 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 84.9 t -80.12 147.05 6.79 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 109.117 -0.697 . . . . 65.25 109.117 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 66.11 35.39 6.22 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.086 -1.45 . . . . 73.420000000000002 107.086 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.9 t0 -94.35 130.4 40.68 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.233 -1.348 . . . . 75.239999999999995 108.911 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 681' ' ' ALA . 21.8 tp60 -86.09 110.39 19.5 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 123.413 0.446 . . . . 64.329999999999998 111.996 -172.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.09 120.22 21.09 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 109.162 -0.681 . . . . 62.32 109.162 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.5 mm -102.2 -59.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 115.503 -0.772 . . . . 73.129999999999995 111.098 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.48 137.06 39.97 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.206 -0.906 . . . . 72.239999999999995 108.746 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 662' ' ' LEU . 34.5 m -117.45 125.02 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.306 1.051 . . . . 74.209999999999994 112.124 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.42 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 42.5 t30 52.91 38.29 26.56 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 126.642 1.977 . . . . 62.140000000000001 113.135 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.68 -3.32 60.92 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.941 -1.027 . . . . 74.299999999999997 114.167 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.96 134.81 55.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 117.445 0.622 . . . . 61.530000000000001 111.299 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 650' ' ' LEU . 48.4 m -83.24 144.76 29.54 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.473 0.916 . . . . 64.340000000000003 113.473 -175.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 649' ' ' SER . 6.8 mp -124.92 19.63 8.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.722 -0.672 . . . . 73.540000000000006 110.604 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.38 96.69 5.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 112.546 0.573 . . . . 65.430000000000007 112.546 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.86 -30.9 3.16 Favored Glycine 0 N--CA 1.431 -1.681 0 C-N-CA 120.271 -0.966 . . . . 71.030000000000001 112.869 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.49 154.14 40.04 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 120.769 0.319 . . . . 74.120000000000005 111.163 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.531 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -66.2 161.93 21.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 61.439999999999998 111.988 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.85 -48.3 51.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 123.589 0.556 . . . . 71.219999999999999 112.283 -178.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.1 pt20 -68.45 -38.58 81.24 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.879 -0.6 . . . . 71.299999999999997 112.594 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.36 -39.43 93.87 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.264 -1.013 . . . . 75.450000000000003 108.264 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.58 79.73 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.222 -1.354 . . . . 73.310000000000002 110.098 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.413 ' HE2' ' C ' ' B' ' 780' ' ' GLU . 62.8 mtt -60.48 -40.47 91.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.281 0.475 . . . . 75.349999999999994 112.281 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 23.4 mm-40 -62.96 -44.97 94.61 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.907 0.384 . . . . 71.049999999999997 110.467 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 85.1 m -66.43 -43.59 85.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.014 -0.736 . . . . 73.319999999999993 109.014 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 645' ' ' VAL . 0.7 OUTLIER -59.09 -56.01 27.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.063 -0.971 . . . . 74.439999999999998 112.375 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -58.98 -42.3 89.63 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.267 0.556 . . . . 74.530000000000001 110.786 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.98 -50.45 55.62 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.104 -0.953 . . . . 73.25 111.769 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 669' ' ' GLU . 25.2 m -77.09 -29.02 54.75 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.73 -0.606 . . . . 71.109999999999999 111.564 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.437 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 3.9 ppp? -75.65 -27.91 58.56 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.778 -0.769 . . . . 62.109999999999999 110.599 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 23.3 t -93.03 -56.23 3.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.432 -0.349 . . . . 74.430000000000007 110.448 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.4 m -64.77 -56.09 15.73 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.472 -0.331 . . . . 64.140000000000001 111.362 -175.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 665' ' ' SER . 39.7 mm-40 -74.3 -23.22 59.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.192 0.52 . . . . 54.240000000000002 110.24 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.49 -55.3 26.24 Favored Glycine 0 CA--C 1.498 -0.996 0 N-CA-C 111.114 -0.794 . . . . 64.340000000000003 111.114 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.2 -26.93 62.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.806 0.336 . . . . 70.420000000000002 110.527 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -57.11 -56.06 26.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.487 0.715 . . . . 72.230000000000004 110.005 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . 0.408 HH12 ' HB2' ' A' ' 677' ' ' GLN . 71.0 mtp180 -76.4 -39.92 52.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.477 0.656 . . . . 73.040000000000006 109.815 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.97 43.26 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.511 -1.436 . . . . 71.510000000000005 109.511 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.6 ptm -144.86 153.37 41.52 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.497 -0.851 . . . . 62.32 108.821 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.494 HG23 HD22 ' A' ' 601' ' ' LEU . 10.9 tt -115.28 144.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 CA-C-N 115.421 -0.809 . . . . 54.100000000000001 111.009 -176.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . 0.408 ' HB2' HH12 ' A' ' 673' ' ' ARG . 35.1 tt0 -108.87 138.7 44.79 Favored 'General case' 0 C--O 1.196 -1.729 0 N-CA-C 109.35 -0.611 . . . . 65.299999999999997 109.35 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -128.47 123.07 32.7 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 121.626 -0.671 . . . . 71.239999999999995 109.49 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.487 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.5 mp -106.08 115.92 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.69 0 N-CA-C 106.547 -1.649 . . . . 72.040000000000006 106.547 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.4 m -123.03 152.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.736 0 N-CA-C 109.015 -0.735 . . . . 65.030000000000001 109.015 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 641' ' ' GLN . . . -111.67 126.02 54.58 Favored 'General case' 0 C--N 1.271 -2.819 0 N-CA-C 106.649 -1.611 . . . . 64.209999999999994 106.649 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? . . . . . 0 N--CA 1.411 -2.381 0 C-N-CA 118.838 -1.145 . . . . 72.430000000000007 108.485 -176.257 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . 0.413 ' C ' ' HE2' ' A' ' 659' ' ' MET . 44.7 mt-10 . . . . . 0 N--CA 1.432 -1.364 0 CA-C-O 121.96 0.886 . . . . 37.710000000000001 113.212 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 606' ' ' LYS . 25.6 mt-10 -128.46 147.3 50.66 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 125.437 1.495 . . . . 72.25 109.745 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.41 134.58 21.65 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.091 -1.448 . . . . 73.239999999999995 107.091 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.5 mp -109.29 125.43 66.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.787 -0.82 . . . . 60.450000000000003 108.787 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 662' ' ' LEU . 12.2 pt . . . . . 0 N--CA 1.391 -3.406 0 N-CA-C 107.419 -1.326 . . . . 62.350000000000001 107.419 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.438 -1.053 0 CA-C-O 120.634 0.254 . . . . 55.350000000000001 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -95.8 121.73 37.84 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.97 -0.559 . . . . 71.200000000000003 109.723 175.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.4 mp -121.91 147.24 46.26 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.642 -0.503 . . . . 53.399999999999999 109.642 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 56.6 m -114.24 121.37 43.51 Favored 'General case' 0 N--CA 1.407 -2.578 0 N-CA-C 108.91 -0.774 . . . . 75.400000000000006 108.91 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.89 129.81 53.17 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.095 -0.706 . . . . 72.019999999999996 109.095 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -111.93 123.41 50.2 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.149 -1.056 . . . . 75.519999999999996 108.149 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . 0.431 ' HB ' HG21 ' A' ' 676' ' ' ILE . 79.2 t -122.24 116.97 29.54 Favored Pre-proline 0 C--N 1.279 -2.477 0 CA-C-N 115.257 -0.883 . . . . 75.400000000000006 110.109 -171.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -77.38 142.4 21.1 Favored 'Trans proline' 0 N--CA 1.428 -2.346 0 C-N-CA 121.141 1.227 . . . . 75.420000000000002 109.632 174.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -78.38 78.5 4.85 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.472 0.653 . . . . 74.109999999999999 109.42 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.54 -92.92 0.12 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.962 -1.017 . . . . 75.530000000000001 110.858 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.6 93.05 4.21 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 107.534 -1.284 . . . . 73.129999999999995 107.534 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.27 41.24 0.32 Allowed 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 105.613 -1.995 . . . . 75.109999999999999 105.613 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.87 -28.76 33.77 Favored Glycine 0 C--N 1.29 -2.023 0 CA-C-N 113.46 -1.7 . . . . 55.399999999999999 111.274 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 46.3 p -71.69 -33.0 68.44 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.982 0.896 . . . . 71.140000000000001 110.268 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -150.62 119.94 6.85 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.779 -1.563 . . . . 60.030000000000001 106.779 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . 0.417 ' C ' HD13 ' A' ' 601' ' ' LEU . . . -44.4 -49.35 8.4 Favored Glycine 0 N--CA 1.478 1.497 0 O-C-N 124.653 1.221 . . . . 60.140000000000001 113.624 -173.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 600' ' ' GLY . 9.8 mp -122.8 -32.6 3.51 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.623 . . . . 71.140000000000001 109.824 171.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 92.62 41.21 4.81 Favored Glycine 0 N--CA 1.4 -3.723 0 CA-C-N 114.569 -1.196 . . . . 71.349999999999994 111.412 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.8 t -127.73 151.54 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 N-CA-C 106.772 -1.566 . . . . 64.530000000000001 106.772 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.2 m -116.73 133.52 55.91 Favored 'General case' 0 N--CA 1.406 -2.634 0 N-CA-C 107.719 -1.215 . . . . 75.040000000000006 107.719 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.49 HG12 ' CD2' ' A' ' 642' ' ' LEU . 3.3 m -125.88 161.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.653 0 CA-C-N 115.841 -0.618 . . . . 62.32 112.037 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -150.88 154.3 36.95 Favored 'General case' 0 C--N 1.278 -2.523 0 CA-C-N 115.119 -0.946 . . . . 62.43 108.868 174.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -103.87 129.66 9.95 Favored Glycine 0 C--N 1.292 -1.89 0 C-N-CA 118.583 -1.77 . . . . 52.130000000000003 111.634 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -95.6 141.69 28.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 71.109999999999999 108.894 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 59.2 ttp180 -134.12 134.91 42.78 Favored 'General case' 0 N--CA 1.417 -2.075 0 N-CA-C 107.823 -1.177 . . . . 72.439999999999998 107.823 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.284 -2.251 0 N-CA-C 108.464 -0.939 . . . . 65.450000000000003 108.464 175.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 108.473 -0.936 . . . . 62.119999999999997 108.473 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.4 p-10 -84.71 151.07 24.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.844 -0.428 . . . . 73.510000000000005 109.844 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 89.3 mt -99.56 -11.1 21.3 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.679 -0.86 . . . . 70.439999999999998 108.679 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 106.69 -165.2 13.38 Favored Glycine 0 C--N 1.308 -0.998 0 CA-C-N 115.087 -0.961 . . . . 74.299999999999997 112.676 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 47.9 mm -103.21 126.86 57.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 109.199 -0.667 . . . . 71.510000000000005 109.199 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -128.3 153.71 46.7 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.031 0.443 . . . . 74.400000000000006 110.616 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.455 ' HA ' HG11 ' A' ' 605' ' ' VAL . 58.3 t -68.77 138.27 22.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 115.569 -0.741 . . . . 55.210000000000001 110.01 174.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -107.79 -45.58 3.98 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.823 -0.626 . . . . 74.540000000000006 110.288 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 43.0 p -149.07 144.92 26.98 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 110.249 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -99.41 129.64 49.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.004 -0.739 . . . . 70.409999999999997 109.004 176.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 74.7 mt -87.35 125.79 41.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 108.557 -0.905 . . . . 42.399999999999999 108.557 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.24 82.02 8.18 Favored 'General case' 0 C--N 1.292 -1.891 0 C-N-CA 120.341 -0.544 . . . . 62.43 109.614 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 167.08 33.32 0.02 OUTLIER Glycine 0 C--N 1.315 -0.607 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.509 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -137.53 156.21 23.44 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.847 -0.901 . . . . 72.209999999999994 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.37 95.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.941 0.37 . . . . 73.230000000000004 111.765 -176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.27 83.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.508 0.671 . . . . 53.009999999999998 109.892 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 42.0 t -64.68 -48.32 75.18 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 114.058 -1.428 . . . . 54.119999999999997 110.173 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -74.38 -51.07 16.12 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.898 0.703 . . . . 72.340000000000003 112.898 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.84 -48.85 15.5 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 119.721 -0.792 . . . . 72.219999999999999 112.084 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -76.35 -42.84 21.96 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.837 -0.697 . . . . 51.409999999999997 113.74 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 60.32 82.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.326 0.584 . . . . 75.530000000000001 111.161 -176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.4 166.65 20.23 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.972 -0.558 . . . . 75.120000000000005 110.711 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.569 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.7 mpt_? -107.88 167.27 10.1 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.733 -1.21 . . . . 64.340000000000003 107.733 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.13 139.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 N-CA-C 107.911 -1.144 . . . . 72.230000000000004 107.911 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 66.71 26.21 9.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.491 1.116 . . . . 72.25 109.637 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.33 142.1 32.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.541 -1.209 . . . . 72.239999999999995 108.035 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -88.32 117.32 27.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.029 0.532 . . . . 73.439999999999998 111.77 -172.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.49 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.3 mp -81.29 131.41 35.29 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.574 -0.528 . . . . 65.120000000000005 109.574 176.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.4 HG23 HD21 ' A' ' 651' ' ' LEU . 42.9 mm -113.51 -57.01 4.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 CA-C-O 121.513 0.673 . . . . 72.530000000000001 111.584 -173.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . 0.402 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -140.95 150.28 42.92 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.622 -0.717 . . . . 71.549999999999997 109.559 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.14 137.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 121.096 0.474 . . . . 63.210000000000001 111.937 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.53 14.67 6.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.941 1.696 . . . . 54.399999999999999 111.189 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.2 -5.7 52.87 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.692 -0.766 . . . . 71.310000000000002 112.022 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -108.0 132.54 53.42 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.097 0.475 . . . . 64.209999999999994 110.531 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -90.28 138.77 31.26 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.339 -0.392 . . . . 55.140000000000001 110.008 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.452 ' H ' HD21 ' A' ' 650' ' ' LEU . 1.4 pt? -129.25 10.44 5.79 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.196 0.522 . . . . 74.530000000000001 110.681 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . 0.4 HD21 HG23 ' A' ' 643' ' ' ILE . 54.5 tp -73.64 93.1 2.02 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-N 115.435 -0.802 . . . . 70.150000000000006 109.687 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.32 -25.86 0.68 Allowed Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.496 -0.859 . . . . 64.319999999999993 112.312 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -84.66 167.28 16.34 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.661 -0.415 . . . . 75.530000000000001 110.123 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.94 164.47 19.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.852 -0.158 . . . . 62.130000000000003 110.757 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.645 ' O ' ' HG3' ' A' ' 659' ' ' MET . 94.6 m-20 -59.28 -49.02 79.44 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.006 0.743 . . . . 64.5 113.006 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -34.85 78.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.23 0.538 . . . . 74.329999999999998 110.483 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.35 -48.38 70.38 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.155 -0.929 . . . . 73.200000000000003 108.616 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.24 94.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.72 -1.127 . . . . 73.510000000000005 111.255 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 80.7 mtp -64.63 -38.04 89.63 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.65 -0.25 . . . . 75.030000000000001 110.973 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.07 -44.61 75.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 N-CA-C 108.946 -0.761 . . . . 74.120000000000005 108.946 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.7 m -58.26 -41.7 84.86 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.387 0.613 . . . . 74.25 109.956 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 666' ' ' MET . 43.6 tp -66.6 -56.79 9.11 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.856 -1.066 . . . . 73.450000000000003 112.674 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 659' ' ' MET . 15.4 ptm180 -63.99 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.048 0.451 . . . . 71.409999999999997 111.151 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -65.35 -50.88 63.92 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 115.792 -0.64 . . . . 75.230000000000004 111.255 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 35.8 p -75.59 -36.35 60.36 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.832 -0.747 . . . . 73.430000000000007 111.704 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.543 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 3.4 ppp? -70.59 -26.87 63.72 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.214 -0.594 . . . . 64.140000000000001 111.584 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 40.3 t -93.03 -55.99 3.14 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 116.422 -0.354 . . . . 72.120000000000005 110.768 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 96.7 m -66.42 -43.72 84.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.534 0.568 . . . . 70.129999999999995 112.534 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -100.34 -5.42 27.38 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.617 -0.433 . . . . 63.109999999999999 110.991 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.75 -68.33 1.7 Allowed Glycine 0 C--O 1.251 1.184 0 N-CA-C 109.522 -1.431 . . . . 72.099999999999994 109.522 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -81.73 70.19 8.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.712 1.244 . . . . 73.219999999999999 109.794 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -164.1 -39.29 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.609 -1.632 . . . . 64.239999999999995 108.481 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' ' 673' ' ' ARG . 3.9 mmp_? -98.21 -9.97 24.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.709 -0.678 . . . . 63.340000000000003 111.068 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 84.73 -38.18 2.94 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.047 -0.597 . . . . 44.310000000000002 111.705 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.6 ptm -133.83 141.76 47.57 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 109.544 -0.539 . . . . 73.510000000000005 109.544 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.431 HG21 ' HB ' ' A' ' 591' ' ' VAL . 9.5 tt -111.34 138.34 40.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 115.145 -0.934 . . . . 54.109999999999999 110.459 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -103.85 138.12 40.88 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.622 -0.717 . . . . 71.030000000000001 110.658 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.6 mm? -129.32 131.99 47.03 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.423 -0.584 . . . . 74.439999999999998 109.423 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 90.7 mt -119.45 116.73 51.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 108.893 -0.78 . . . . 64.200000000000003 108.893 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.8 158.9 37.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 114.639 -1.164 . . . . 72.239999999999995 109.883 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.24 124.49 48.0 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.055 -0.72 . . . . 63.009999999999998 109.055 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 682' ' ' ARG . 2.7 ppt_? . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 109.073 -0.714 . . . . 71.25 109.073 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 CA--C 1.465 -2.293 0 N-CA-C 108.948 -0.76 . . . . 61.539999999999999 108.948 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -105.85 140.98 38.04 Favored 'General case' 0 C--N 1.263 -3.155 0 CA-C-N 113.748 -1.569 . . . . 72.120000000000005 109.939 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . 0.459 ' HB2' ' HE1' ' A' ' 659' ' ' MET . 3.3 tm? -138.83 130.63 27.74 Favored 'General case' 0 N--CA 1.405 -2.719 0 N-CA-C 108.135 -1.061 . . . . 64.120000000000005 108.135 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -101.2 132.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 N-CA-C 109.292 -0.633 . . . . 75.540000000000006 109.292 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.543 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 25.0 pt . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 118.555 -0.736 . . . . 74.209999999999994 109.041 176.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 11.1 pt-20 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 108.56 -0.904 . . . . 74.530000000000001 108.56 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -105.01 136.99 43.45 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.116 0.413 . . . . 71.420000000000002 112.116 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -127.36 142.29 51.47 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.766 -0.828 . . . . 64.540000000000006 108.766 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 91.4 m -110.05 122.64 48.07 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.989 -0.55 . . . . 72.329999999999998 109.845 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.79 142.08 50.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.401 -0.592 . . . . 74.409999999999997 109.401 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -122.25 132.19 54.3 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.308 0.575 . . . . 72.120000000000005 109.891 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 71.5 t -121.15 117.57 30.59 Favored Pre-proline 0 C--N 1.285 -2.219 0 CA-C-N 115.175 -0.921 . . . . 70.209999999999994 109.205 -173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.44 147.87 23.04 Favored 'Trans proline' 0 N--CA 1.434 -1.984 0 C-N-CA 121.278 1.319 . . . . 75.109999999999999 111.177 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.87 77.54 2.13 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.777 0.799 . . . . 72.439999999999998 110.124 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 596' ' ' SER . 4.4 m-20 -108.68 -74.71 0.65 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.362 -1.29 . . . . 55.439999999999998 110.653 -178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.88 29.81 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.231 1.015 . . . . 73.129999999999995 110.75 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 594' ' ' ASN . 22.6 m -74.73 -5.01 40.86 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.252 -1.34 . . . . 73.510000000000005 112.387 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.27 -20.71 60.04 Favored Glycine 0 N--CA 1.419 -2.474 0 C-N-CA 120.063 -1.065 . . . . 74.329999999999998 110.505 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 50.8 m -76.12 -25.42 55.37 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.242 0.544 . . . . 63.399999999999999 110.257 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -165.97 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.909 -1.041 . . . . 63.240000000000002 109.638 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 171.55 -67.78 0.13 Allowed Glycine 0 C--N 1.293 -1.819 0 N-CA-C 107.737 -2.145 . . . . 74.5 107.737 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 630' ' ' ALA . 7.7 mp -109.37 -37.5 5.73 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.075 -1.083 . . . . 72.109999999999999 108.075 171.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 92.77 46.24 3.46 Favored Glycine 0 N--CA 1.405 -3.415 0 CA-C-N 114.365 -1.289 . . . . 44.049999999999997 110.136 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.7 t -133.95 152.5 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 106.735 -1.58 . . . . 74.319999999999993 106.735 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' SER . . . . . 0.545 ' CB ' ' HE3' ' A' ' 622' ' ' LYS . 18.8 m -121.03 130.64 53.87 Favored 'General case' 0 N--CA 1.397 -3.11 0 N-CA-C 108.148 -1.056 . . . . 74.409999999999997 108.148 173.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 642' ' ' LEU . 4.5 m -123.43 156.96 29.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 115.781 -0.645 . . . . 63.219999999999999 110.935 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -149.74 153.83 37.52 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.896 -0.779 . . . . 65.420000000000002 108.896 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.29 156.58 17.26 Favored Glycine 0 N--CA 1.421 -2.335 0 C-N-CA 119.386 -1.388 . . . . 52.329999999999998 111.502 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -123.13 147.13 47.13 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.57 -0.53 . . . . 54.100000000000001 109.57 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 2.2 tmm_? -127.21 125.71 41.52 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.093 -1.077 . . . . 73.310000000000002 108.093 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.318 -0.779 0 N-CA-C 112.176 0.436 . . . . 74.540000000000006 112.176 -178.36 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.733 0 N-CA-C 108.962 -0.755 . . . . 73.310000000000002 108.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.9 p-10 -91.36 144.96 25.05 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.896 -1.122 . . . . 65.519999999999996 108.582 174.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -88.82 -2.68 58.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.418 0.628 . . . . 62.329999999999998 110.163 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.54 -161.16 18.88 Favored Glycine 0 C--N 1.294 -1.783 0 CA-C-N 115.287 -0.869 . . . . 35.630000000000003 111.633 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.67 130.62 66.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.485 -0.932 . . . . 51.439999999999998 108.485 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -125.96 149.13 49.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.657 0.265 . . . . 64.129999999999995 111.198 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.44 ' HA ' HG11 ' A' ' 605' ' ' VAL . 92.7 t -68.48 132.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.059 -0.719 . . . . 73.400000000000006 109.059 171.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.545 ' HE3' ' CB ' ' A' ' 604' ' ' SER . 14.0 pttp -109.35 -38.56 5.45 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 108.985 -0.746 . . . . 72.430000000000007 108.985 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 30.2 p -149.74 143.92 25.73 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.724 -0.671 . . . . 71.310000000000002 110.461 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.5 139.76 21.88 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 N-CA-C 108.658 -0.867 . . . . 64.340000000000003 108.658 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 84.2 mt -95.64 113.25 29.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 108.653 -0.869 . . . . 73.209999999999994 108.653 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -63.62 118.41 8.19 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.439 -0.8 . . . . 73.519999999999996 111.533 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.07 -13.93 23.86 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.49 -0.777 . . . . 35.630000000000003 111.303 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -66.32 152.66 52.19 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 121.219 -0.515 . . . . 64.310000000000002 112.311 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.18 76.51 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.765 0.317 . . . . 54.43 110.912 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.91 -26.6 63.29 Favored 'General case' 0 CA--C 1.491 -1.299 0 CA-C-O 121.334 0.588 . . . . 74.340000000000003 110.198 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 48.1 t -74.13 -52.27 13.07 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 114.847 -1.07 . . . . 75.450000000000003 109.184 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.15 -51.32 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.002 0.741 . . . . 71.430000000000007 113.002 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.04 -51.03 9.54 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.029 -0.668 . . . . 52.43 110.486 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -71.53 -42.73 54.86 Favored Glycine 0 CA--C 1.517 0.17 0 CA-C-N 115.261 -0.881 . . . . 41.240000000000002 114.22 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? 68.87 33.39 3.61 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.955 0.502 . . . . 74.530000000000001 111.654 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 170.82 5.11 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.214 0.45 . . . . 72.150000000000006 112.214 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -135.25 175.56 9.48 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.359 0.874 . . . . 72.120000000000005 113.359 -173.528 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 77.4 t -79.06 149.33 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.62 -0.881 . . . . 74.5 108.62 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.64 11.33 6.43 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.383 1.087 . . . . 75.010000000000005 109.103 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.622 ' HB2' ' O ' ' A' ' 637' ' ' ARG . 13.6 t0 -69.34 121.43 16.89 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.43 -1.259 . . . . 72.340000000000003 107.88 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -81.57 111.01 17.48 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 122.957 0.503 . . . . 74.129999999999995 111.354 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.455 ' CD2' HG12 ' A' ' 605' ' ' VAL . 8.0 mp -76.75 122.6 24.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.897 0.38 . . . . 62.009999999999998 110.406 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.36 -52.58 6.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.388 -0.824 . . . . 75.099999999999994 109.993 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.13 42.68 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.395 -0.366 . . . . 54.140000000000001 110.313 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 678' ' ' LEU . 14.9 p -134.01 126.81 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-O 121.624 0.726 . . . . 60.219999999999999 111.385 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 54.06 34.09 19.12 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 126.089 1.756 . . . . 73.150000000000006 110.282 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.62 58.4 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.628 -0.796 . . . . 72.219999999999999 113.77 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -94.72 144.86 25.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 117.715 0.758 . . . . 75.129999999999995 109.598 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 23.1 t -91.31 141.51 28.7 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.566 0.698 . . . . 74.030000000000001 111.767 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.67 -167.42 1.29 Allowed 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.142 -1.799 . . . . 35.630000000000003 106.142 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 6.2 tt 71.78 -46.23 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.556 0.742 . . . . 73.109999999999999 112.284 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -71.05 -7.32 62.32 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 110.961 -0.855 . . . . 52.350000000000001 110.961 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -122.47 152.1 40.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 107.097 -1.446 . . . . 73.439999999999998 107.097 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.85 166.07 7.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.416 0.525 . . . . 45.439999999999998 112.416 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.32 -47.61 47.04 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.81 0.844 . . . . 74.140000000000001 112.581 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -60.9 -47.64 85.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.331 -0.849 . . . . 72.040000000000006 109.203 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -66.37 -40.79 89.96 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.964 -1.471 . . . . 63.039999999999999 110.008 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.18 68.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.981 -1.009 . . . . 54.310000000000002 110.957 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.581 ' HE2' ' O ' ' B' ' 780' ' ' GLU . 61.9 mtt -61.8 -37.17 83.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 112.279 0.474 . . . . 73.140000000000001 112.279 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.15 -47.76 81.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 109.428 -0.582 . . . . 75.010000000000005 109.428 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 89.4 m -64.21 -45.18 89.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.474 -0.785 . . . . 71.230000000000004 109.358 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.56 -55.33 33.24 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.437 -1.256 . . . . 75.230000000000004 111.459 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.421 ' HD2' HD23 ' B' ' 782' ' ' LEU . 81.8 mtp180 -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.861 0.362 . . . . 72.329999999999998 110.822 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -61.91 -51.59 67.53 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 115.412 -0.813 . . . . 63.43 110.247 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 59.7 m -78.22 -30.29 48.77 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.643 0.608 . . . . 72.439999999999998 112.643 -174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.516 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 3.9 ppp? -74.96 -30.24 61.15 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.537 -0.865 . . . . 65.0 110.637 -177.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 16.4 t -92.92 -54.47 3.73 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.315 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 75.1 m -67.95 -57.14 6.69 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.963 0.411 . . . . 71.530000000000001 111.224 -175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.05 -18.72 38.69 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.023 -0.535 . . . . 74.230000000000004 111.153 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.44 19.85 Favored Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 111.354 -0.698 . . . . 74.430000000000007 111.354 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -71.96 -12.54 61.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.094 0.473 . . . . 75.5 111.641 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -82.22 -50.39 9.04 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 116.41 -0.359 . . . . 74.319999999999993 110.178 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.45 -10.16 59.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.001 0.741 . . . . 70.049999999999997 113.001 -176.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.14 -29.83 5.41 Favored Glycine 0 C--O 1.243 0.713 0 C-N-CA 120.362 -0.923 . . . . 71.329999999999998 112.409 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.54 157.18 46.25 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.069 -0.715 . . . . 73.109999999999999 109.069 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . . . . . . . . . 10.1 tt -116.98 138.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 115.473 -0.785 . . . . 74.040000000000006 110.144 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.23 137.7 42.59 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.914 -0.585 . . . . 61.530000000000001 110.085 -177.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 645' ' ' VAL . 1.2 mm? -130.41 130.2 44.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.937 -0.477 . . . . 73.439999999999998 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 679' ' ' ILE . 2.7 mp -109.07 117.95 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 106.831 -1.544 . . . . 64.109999999999999 106.831 170.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.506 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.7 m -123.59 153.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 CA-C-N 115.568 -0.742 . . . . 72.299999999999997 109.403 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.5 138.97 47.34 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.276 -0.42 . . . . 54.229999999999997 110.224 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . 0.457 ' HB3' ' NH2' ' A' ' 637' ' ' ARG . 2.1 ppt_? . . . . . 0 C--N 1.306 -1.317 0 C-N-CA 120.078 -0.649 . . . . 65.010000000000005 109.45 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . 0.581 ' O ' ' HE2' ' A' ' 659' ' ' MET . 41.4 mt-10 . . . . . 0 CA--C 1.471 -2.065 0 N-CA-C 107.569 -1.271 . . . . 53.149999999999999 107.569 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.402 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 56.6 mt-10 -109.98 136.36 49.37 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.233 -1.349 . . . . 64.200000000000003 109.853 -176.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . 0.461 HD21 ' SD ' ' A' ' 659' ' ' MET . 0.1 OUTLIER -126.86 129.44 48.25 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 107.342 -1.355 . . . . 75.150000000000006 107.342 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.81 127.5 57.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 C-N-CA 120.444 -0.502 . . . . 63.340000000000003 109.683 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.516 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 28.0 pt . . . . . 0 N--CA 1.411 -2.412 0 CA-C-N 115.488 -0.778 . . . . 64.409999999999997 110.228 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.436 -1.127 0 N-CA-C 109.646 -0.502 . . . . 74.25 109.646 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' PHE . . . . . 0.411 ' CE2' HG22 ' A' ' 643' ' ' ILE . 9.6 m-30 -91.84 127.89 37.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.614 -0.721 . . . . 71.219999999999999 110.656 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 98.0 mt -104.6 131.68 51.73 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.759 -0.83 . . . . 72.439999999999998 108.759 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 41.7 m -105.86 121.59 44.37 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 115.528 -0.76 . . . . 75.099999999999994 109.473 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' PHE . . . . . 0.416 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 58.7 m-85 -120.91 129.54 53.52 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.589 -0.732 . . . . 73.329999999999998 109.989 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -112.12 117.89 33.87 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.89 -0.782 . . . . 71.439999999999998 108.89 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.29 117.47 45.36 Favored Pre-proline 0 C--N 1.284 -2.247 0 CA-C-N 115.58 -0.736 . . . . 70.439999999999998 109.74 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.79 148.33 41.05 Favored 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 121.501 1.467 . . . . 74.239999999999995 111.303 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.95 76.87 2.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.641 0.734 . . . . 72.319999999999993 110.395 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 596' ' ' SER . 53.5 t30 -102.82 -75.1 0.61 Allowed 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.93 -1.032 . . . . 74.140000000000001 111.132 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.36 20.0 2.56 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.519 0.728 . . . . 73.030000000000001 109.25 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 16.1 m -71.6 1.45 6.61 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 124.976 1.311 . . . . 71.319999999999993 114.216 -171.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.75 -28.99 33.36 Favored Glycine 0 N--CA 1.425 -2.088 0 C-N-CA 119.399 -1.381 . . . . 62.130000000000003 110.489 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.8 m -87.29 -47.04 9.15 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.895 0.855 . . . . 75.049999999999997 109.784 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -151.3 141.06 21.84 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 104.388 -2.449 . . . . 55.130000000000003 104.388 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' GLY . . . . . 0.425 ' HA3' ' HE3' ' A' ' 666' ' ' MET . . . -60.84 -57.54 18.29 Favored Glycine 0 C--N 1.288 -2.131 0 O-C-N 123.939 0.775 . . . . 64.310000000000002 112.307 -171.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' LEU . . . . . 0.455 HD11 HD13 ' A' ' 676' ' ' ILE . 6.4 mp -109.43 -36.51 5.97 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 107.841 -1.17 . . . . 72.519999999999996 107.841 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 88.64 50.73 3.26 Favored Glycine 1 N--CA 1.38 -5.077 0 N-CA-C 108.991 -1.644 . . . . 73.109999999999999 108.991 -177.279 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.03 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.745 0 N-CA-C 106.696 -1.594 . . . . 64.299999999999997 106.696 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' SER . . . . . 0.412 ' O ' ' HD3' ' A' ' 622' ' ' LYS . 39.4 m -115.27 124.61 51.77 Favored 'General case' 0 N--CA 1.38 -3.974 0 N-CA-C 107.358 -1.349 . . . . 63.229999999999997 107.358 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 621' ' ' VAL . 5.1 m -121.99 165.15 18.11 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 CA-C-N 116.092 -0.504 . . . . 64.439999999999998 109.935 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.519 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 3.5 ptpt -149.5 151.29 33.68 Favored 'General case' 0 C--N 1.268 -2.973 0 CA-C-N 115.359 -0.837 . . . . 75.25 108.889 177.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -110.44 111.04 2.96 Favored Glycine 0 N--CA 1.399 -3.774 0 N-CA-C 109.558 -1.417 . . . . 54.399999999999999 109.558 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.15 135.39 35.58 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 119.747 -0.781 . . . . 54.439999999999998 109.415 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -113.23 146.21 39.7 Favored 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 108.407 -0.96 . . . . 74.530000000000001 108.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 107.122 -1.436 . . . . 62.240000000000002 107.122 172.374 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 106.885 -1.524 . . . . 65.209999999999994 106.885 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.57 155.62 23.18 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 120.005 -0.678 . . . . 74.430000000000007 110.855 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.48 -15.75 18.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.982 -1.118 . . . . 73.25 107.982 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 118.87 -149.82 18.12 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 114.715 -1.129 . . . . 75.129999999999995 112.066 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' ILE . . . . . 0.4 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.6 mm -128.1 126.26 65.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.441 -1.688 . . . . 65.340000000000003 106.441 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' PHE . . . . . 0.557 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 60.9 m-85 -128.87 147.19 50.8 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.836 0.35 . . . . 72.439999999999998 111.157 -173.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' VAL . . . . . 0.421 ' HA ' HG11 ' A' ' 605' ' ' VAL . 81.9 t -70.2 130.81 34.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 108.396 -0.965 . . . . 75.030000000000001 108.396 171.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -110.63 -31.1 7.34 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 117.83 -1.548 . . . . 74.530000000000001 110.714 176.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 23.4 p -149.46 137.99 20.87 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 110.524 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.17 138.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 108.394 -0.965 . . . . 72.340000000000003 108.394 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' ILE . . . . . 0.48 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 82.5 mt -88.71 110.77 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 N-CA-C 106.423 -1.695 . . . . 75.040000000000006 106.423 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -81.03 108.93 15.12 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 121.576 0.703 . . . . 75.140000000000001 111.285 -174.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.58 -27.44 2.48 Favored Glycine 0 N--CA 1.422 -2.249 0 CA-C-N 114.372 -1.286 . . . . 64.319999999999993 110.174 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -72.09 169.3 51.24 Favored Glycine 0 C--O 1.244 0.741 0 C-N-CA 121.379 -0.439 . . . . 43.200000000000003 112.575 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.97 74.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 111.895 0.332 . . . . 74.230000000000004 111.895 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -72.52 -26.65 61.84 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-O 121.532 0.682 . . . . 72.150000000000006 109.815 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.3 t -74.69 -52.02 12.73 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.614 -1.175 . . . . 70.299999999999997 109.416 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.54 -51.46 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 112.351 0.5 . . . . 71.400000000000006 112.351 -177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.61 -51.54 9.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.453 0.538 . . . . 75.040000000000006 112.453 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.25 -43.24 7.57 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.349 -0.929 . . . . 72.109999999999999 115.0 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.83 49.48 7.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.847 -1.538 . . . . 74.219999999999999 106.847 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 6.4 mp -67.24 154.53 41.07 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 115.908 -0.587 . . . . 73.239999999999995 110.63 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' ARG . . . . . 0.414 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 18.2 ptt180 -96.51 164.34 12.66 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 115.322 -0.854 . . . . 71.230000000000004 111.384 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.36 149.84 5.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 114.831 -1.077 . . . . 75.310000000000002 108.156 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 74.5 11.09 4.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.456 1.102 . . . . 55.310000000000002 111.845 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' ASP . . . . . 0.715 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 6.4 t70 -82.36 143.1 31.48 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 118.778 -1.169 . . . . 74.299999999999997 109.151 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -89.82 119.21 30.0 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.894 0.878 . . . . 73.540000000000006 111.583 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.7 mp -78.6 109.95 13.27 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.486 0.66 . . . . 73.400000000000006 110.843 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' ILE . . . . . 0.411 HG22 ' CE2' ' A' ' 586' ' ' PHE . 43.7 mm -89.41 -53.66 8.97 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 CA-C-N 115.288 -0.869 . . . . 75.349999999999994 110.997 -175.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' ALA . . . . . 0.429 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.96 153.6 46.95 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.206 -0.907 . . . . 75.150000000000006 110.63 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' VAL . . . . . 0.42 HG23 ' OD1' ' A' ' 646' ' ' ASN . 13.1 p -138.31 131.52 40.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 116.091 -0.504 . . . . 74.439999999999998 110.022 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' ASN . . . . . 0.42 ' OD1' HG23 ' A' ' 645' ' ' VAL . 18.5 m120 60.7 23.44 13.3 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.445 1.098 . . . . 73.319999999999993 110.859 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.26 -19.31 53.2 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 115.512 -0.767 . . . . 75.540000000000006 113.107 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -86.17 132.71 33.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 117.293 0.546 . . . . 72.450000000000003 109.986 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.5 m -90.66 142.59 27.59 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 120.775 0.321 . . . . 72.349999999999994 110.973 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 650' ' ' LEU . 1.1 pt? -132.64 7.75 4.14 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 116.367 -0.379 . . . . 74.129999999999995 111.489 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 57.3 tp -68.4 99.13 0.91 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.117 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 148.29 -21.34 1.38 Allowed Glycine 0 C--N 1.307 -1.071 0 C-N-CA 120.584 -0.817 . . . . 61.140000000000001 112.306 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.17 159.85 15.46 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.343 -0.614 . . . . 61.329999999999998 109.343 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.5 168.25 2.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.013 0.525 . . . . 55.299999999999997 112.235 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' ASN . . . . . 0.686 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.6 m120 -56.28 -49.63 73.69 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 123.428 0.455 . . . . 62.200000000000003 111.093 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -64.97 -48.58 73.49 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.952 -0.758 . . . . 73.019999999999996 108.952 -174.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.42 -47.78 72.4 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.959 -1.473 . . . . 74.230000000000004 110.067 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.67 97.93 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.475 -0.784 . . . . 75.400000000000006 111.063 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 76.9 mtp -63.93 -37.76 88.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.548 -0.296 . . . . 74.200000000000003 110.715 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -68.87 -41.9 77.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.301 -0.56 . . . . 75.109999999999999 110.763 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 90.1 m -58.71 -43.52 90.14 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.552 0.691 . . . . 73.209999999999994 109.519 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.57 -56.37 16.46 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.916 -1.038 . . . . 74.140000000000001 112.775 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 659' ' ' MET . 14.9 ptm180 -62.91 -30.89 71.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.197 0.443 . . . . 73.329999999999998 112.197 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -76.77 -45.29 29.57 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 112.217 0.451 . . . . 71.140000000000001 112.217 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 23.4 m -66.6 -39.79 88.57 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.137 -0.625 . . . . 74.450000000000003 109.995 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.547 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 4.0 ppp? -68.9 -23.01 64.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.915 -0.584 . . . . 72.430000000000007 111.315 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 38.8 t -92.05 -56.13 3.19 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 115.904 -0.589 . . . . 71.319999999999993 109.759 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 39.2 m -69.94 -51.31 33.84 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.666 -0.697 . . . . 75.329999999999998 112.013 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.85 -19.18 26.24 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 120.927 0.394 . . . . 72.409999999999997 111.016 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -64.87 -60.73 6.55 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 111.116 -0.794 . . . . 65.150000000000006 111.116 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -84.13 76.67 10.06 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.411 0.624 . . . . 62.530000000000001 110.745 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 -31.1 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.747 1.619 . . . . 65.120000000000005 109.012 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -81.42 -27.6 34.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.355 -0.839 . . . . 74.310000000000002 110.42 171.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 100.12 -37.96 3.33 Favored Glycine 0 CA--C 1.5 -0.881 0 N-CA-C 110.275 -1.13 . . . . 73.430000000000007 110.275 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.2 ptp -136.38 157.71 46.15 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.348 -0.982 . . . . 75.129999999999995 108.348 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' ILE . . . . . 0.455 HD13 HD11 ' A' ' 601' ' ' LEU . 8.3 tt -110.7 132.38 59.29 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 121.393 0.616 . . . . 65.010000000000005 110.13 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -102.01 124.72 48.11 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 115.423 -0.808 . . . . 72.439999999999998 110.567 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.5 mm? -115.1 128.07 56.0 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.638 -0.875 . . . . 74.420000000000002 108.638 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -107.98 116.93 52.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 106.71 -1.589 . . . . 72.230000000000004 106.71 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' VAL . . . . . 0.715 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 27.6 m -121.99 173.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.324 0 N-CA-C 108.983 -0.747 . . . . 74.349999999999994 108.983 -177.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.72 127.59 23.7 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.556 0.693 . . . . 74.319999999999993 112.426 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.419 -1.987 0 N-CA-C 109.16 -0.681 . . . . 73.129999999999995 109.16 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 780' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.7 mt-10 . . . . . 0 C--O 1.188 -2.167 0 N-CA-C 107.725 -1.213 . . . . 73.099999999999994 107.725 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 781' ' ' GLU . . . . . 0.519 ' OE2' ' HE2' ' A' ' 606' ' ' LYS . 4.1 mp0 -104.05 143.23 33.18 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.428 0.632 . . . . 62.140000000000001 112.126 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 782' ' ' LEU . . . . . 0.45 ' HB2' ' HE1' ' A' ' 659' ' ' MET . 3.3 tm? -142.54 137.13 29.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 106.738 -1.579 . . . . 70.349999999999994 106.738 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 783' ' ' ILE . . . . . 0.425 ' N ' HD13 ' B' ' 783' ' ' ILE . 2.3 mp -111.2 132.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.733 -0.84 . . . . 72.310000000000002 108.733 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 784' ' ' ILE . . . . . 0.547 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 16.1 pt . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 117.727 -1.13 . . . . 73.540000000000006 111.27 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.956 0 N-CA-C 111.418 -0.673 . . . . 50.149999999999999 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 32.7 m -135.01 115.35 13.42 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.893 -0.78 . . . . 65.340000000000003 108.893 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -137.19 -66.02 0.52 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.641 0.258 . . . . 75.010000000000005 110.37 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -115.67 50.23 0.8 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.046 -0.821 . . . . 55.340000000000003 111.046 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 7.4 t -94.5 161.06 14.37 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.974 -0.38 . . . . 63.340000000000003 109.974 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -120.85 135.3 55.21 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 109.309 -0.626 . . . . 72.230000000000004 109.309 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -110.13 147.12 34.27 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.113 -0.699 . . . . 65.25 109.113 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -102.33 122.77 44.91 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.928 -0.397 . . . . 63.340000000000003 109.928 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.46 HD12 HH22 ' A' ' 637' ' ' ARG . 92.0 mt -112.16 137.12 50.69 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 108.828 -0.804 . . . . 63.439999999999998 108.828 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.4 m -112.29 121.88 46.14 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 115.527 -0.76 . . . . 73.140000000000001 109.804 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 636' ' ' LEU . 39.3 m-85 -109.37 138.16 46.13 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.357 -0.608 . . . . 73.209999999999994 109.357 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.88 118.87 33.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.877 -0.786 . . . . 71.329999999999998 108.877 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.442 ' HB ' HG21 ' A' ' 676' ' ' ILE . 96.8 t -116.63 116.72 38.58 Favored Pre-proline 0 C--N 1.277 -2.58 0 CA-C-N 115.195 -0.911 . . . . 74.409999999999997 109.123 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.8 145.2 22.55 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.153 1.236 . . . . 54.329999999999998 110.364 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.34 69.44 6.79 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.155 0.979 . . . . 73.200000000000003 110.217 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -106.47 -68.13 0.9 Allowed 'General case' 0 CA--C 1.485 -1.557 0 CA-C-N 113.929 -1.487 . . . . 74.329999999999998 108.105 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.27 71.99 10.78 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 106.282 -1.747 . . . . 74.219999999999999 106.282 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 28.0 t -135.19 129.6 34.01 Favored 'General case' 1 N--CA 1.379 -4.012 0 CA-C-N 112.996 -1.911 . . . . 73.349999999999994 106.085 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 133.57 -30.91 2.93 Favored Glycine 1 C--N 1.239 -4.818 0 N-CA-C 107.338 -2.305 . . . . 71.439999999999998 107.338 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 13.2 m -63.27 -37.95 89.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.614 -1.624 . . . . 62.539999999999999 106.614 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -166.02 -177.2 4.09 Favored 'General case' 0 N--CA 1.404 -2.761 0 N-CA-C 102.194 -3.261 . . . . 54.439999999999998 102.194 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -72.84 -60.46 3.92 Favored Glycine 0 C--N 1.284 -2.329 0 N-CA-C 109.147 -1.581 . . . . 63.450000000000003 109.147 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 630' ' ' ALA . 10.3 mp -118.83 -33.85 4.11 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 123.562 0.745 . . . . 62.119999999999997 109.525 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 96.31 41.27 3.74 Favored Glycine 0 N--CA 1.399 -3.785 0 CA-C-N 115.042 -0.981 . . . . 43.130000000000003 110.673 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.31 151.2 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 107.313 -1.366 . . . . 62.399999999999999 107.313 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.0 m -114.9 130.85 56.98 Favored 'General case' 0 N--CA 1.403 -2.784 0 N-CA-C 107.318 -1.364 . . . . 73.349999999999994 107.318 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 642' ' ' LEU . 4.2 m -124.93 159.23 31.85 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 116.082 -0.508 . . . . 62.100000000000001 110.894 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -149.82 153.1 36.23 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 109.135 -0.691 . . . . 62.539999999999999 109.135 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.63 145.38 16.84 Favored Glycine 0 C--N 1.293 -1.826 0 C-N-CA 119.532 -1.318 . . . . 61.119999999999997 111.301 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -123.18 154.72 38.33 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.816 -0.809 . . . . 60.310000000000002 108.816 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.8 mtt85 -122.21 142.79 50.07 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 109.955 -0.387 . . . . 72.420000000000002 109.955 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 43.0 t -71.86 125.19 26.55 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 106.688 -1.597 . . . . 64.209999999999994 106.688 172.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.77 -20.28 36.17 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-O 121.301 0.572 . . . . 74.430000000000007 109.789 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -82.22 -51.24 8.12 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.818 -0.808 . . . . 65.310000000000002 108.818 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 3.0 t-20 -77.52 -19.34 55.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.072 -0.513 . . . . 61.119999999999997 111.384 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 61.8 m80 63.01 33.58 14.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.823 0.821 . . . . 71.209999999999994 110.463 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -142.08 155.65 45.38 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 107.836 -1.172 . . . . 72.239999999999995 107.836 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.5 p-10 -69.9 149.24 48.04 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.415 0.626 . . . . 70.439999999999998 111.928 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -96.15 -8.38 33.36 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.125 -1.065 . . . . 64.299999999999997 108.125 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.78 -173.93 25.11 Favored Glycine 0 N--CA 1.429 -1.802 0 CA-C-N 114.605 -1.18 . . . . 73.5 112.029 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.95 131.8 40.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 109.519 -0.549 . . . . 62.329999999999998 109.519 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.5 m-85 -127.09 151.8 48.14 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.346 -0.388 . . . . 75.349999999999994 110.231 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.418 ' HA ' HG11 ' A' ' 605' ' ' VAL . 48.2 t -71.41 138.41 21.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.253 -0.647 . . . . 72.109999999999999 109.253 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.486 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -114.49 -41.32 3.46 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 116.326 -0.397 . . . . 71.219999999999999 111.338 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 42.8 t -148.94 138.4 21.76 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.641 -0.503 . . . . 74.299999999999997 109.641 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.58 130.04 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 N-CA-C 108.32 -0.993 . . . . 63.439999999999998 108.32 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 80.5 mt -89.76 112.33 24.39 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 N-CA-C 107.336 -1.357 . . . . 62.009999999999998 107.336 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -81.32 78.68 8.07 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 122.285 1.04 . . . . 73.230000000000004 109.741 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 165.14 48.4 0.02 OUTLIER Glycine 0 N--CA 1.415 -2.704 0 N-CA-C 108.509 -1.837 . . . . 71.239999999999995 108.509 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 632' ' ' LYS . . . -159.92 147.99 15.87 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.274 -1.53 . . . . 70.439999999999998 109.274 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.73 61.37 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 114.299 1.222 . . . . 74.099999999999994 114.299 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -64.61 -30.77 71.79 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 121.301 0.572 . . . . 55.549999999999997 111.243 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.2 t -76.77 -48.22 19.33 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.228 -0.896 . . . . 72.329999999999998 108.827 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 628' ' ' GLY . 53.5 mtpt -64.21 -52.46 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.511 -0.768 . . . . 72.120000000000005 111.044 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -80.77 -52.35 7.62 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 112.463 0.542 . . . . 75.230000000000004 112.463 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -74.12 -42.41 36.36 Favored Glycine 0 CA--C 1.507 -0.433 0 CA-C-N 115.64 -0.709 . . . . 70.209999999999994 114.678 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 63.25 32.48 14.85 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.908 0.354 . . . . 71.409999999999997 111.641 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' A' ' 589' ' ' PHE 0.309 0.7 OUTLIER -68.86 171.2 8.29 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.227 1.195 . . . . 73.0 114.227 178.506 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.675 ' NH2' ' HB2' ' A' ' 682' ' ' ARG . 8.8 ptt-85 -114.12 172.17 7.16 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 113.348 0.87 . . . . 72.099999999999994 113.348 -169.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 79.1 t -83.67 141.5 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.488 -1.233 . . . . 74.319999999999993 109.878 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 67.91 24.85 7.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.888 1.675 . . . . 74.400000000000006 111.508 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.821 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 12.4 t70 -80.33 154.11 27.98 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.443 -1.688 . . . . 54.149999999999999 106.443 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.07 115.72 31.15 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.264 -0.643 . . . . 72.329999999999998 109.264 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.514 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.6 mp -74.74 120.04 19.74 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.401 0.62 . . . . 50.149999999999999 112.513 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 44.9 mm -95.47 -56.13 5.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 115.297 -0.865 . . . . 72.239999999999995 111.331 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.34 155.09 43.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.871 -0.604 . . . . 74.340000000000003 111.826 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.427 HG22 ' CD1' ' A' ' 678' ' ' LEU . 15.0 p -135.17 128.03 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 115.705 -0.68 . . . . 74.510000000000005 109.311 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 84.1 m-20 51.63 30.79 6.97 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.649 0.981 . . . . 63.43 113.649 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 90.63 -15.39 60.48 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.812 -0.709 . . . . 60.229999999999997 113.37 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.7 127.11 36.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.32 -0.992 . . . . 62.020000000000003 108.32 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 50.8 m -93.7 140.55 29.51 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 112.782 0.66 . . . . 72.319999999999993 112.782 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 658' ' ' ALA . 0.9 OUTLIER -112.71 -3.71 14.2 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 116.011 -0.541 . . . . 72.109999999999999 111.246 175.01 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.05 93.91 0.22 Allowed 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.863 -0.792 . . . . 70.329999999999998 108.863 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 142.27 -25.91 2.32 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 115.723 -0.671 . . . . 64.400000000000006 112.113 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -98.65 152.68 19.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.232 -0.284 . . . . 71.140000000000001 110.232 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.52 167.22 9.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.211 0.449 . . . . 44.310000000000002 112.211 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.32 -47.28 81.95 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.283 0.845 . . . . 75.450000000000003 113.283 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.621 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -68.45 -30.63 69.54 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 121.035 -0.266 . . . . 74.230000000000004 110.639 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.33 -47.32 64.76 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.252 -1.018 . . . . 72.319999999999993 108.252 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -56.21 -43.72 78.83 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.578 -1.646 . . . . 74.239999999999995 111.066 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.532 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 63.0 mtt -60.71 -42.32 97.0 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.386 0.429 . . . . 73.329999999999998 111.769 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -61.51 -45.67 93.2 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.931 -0.308 . . . . 75.319999999999993 110.821 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.4 m -59.02 -43.5 91.6 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 110.143 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 666' ' ' MET . 97.7 mt -63.33 -56.51 15.83 Favored 'General case' 0 C--O 1.204 -1.325 0 CA-C-N 116.411 -0.359 . . . . 71.209999999999994 110.73 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 659' ' ' MET . 75.3 mtp180 -55.13 -39.93 69.96 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.457 0.646 . . . . 71.129999999999995 110.989 -175.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -74.66 -51.37 14.58 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.427 -0.806 . . . . 72.120000000000005 111.448 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 -31.9 51.79 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 113.255 0.835 . . . . 54.030000000000001 113.255 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.52 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 4.3 ppp? -68.29 -33.97 75.31 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.305 -0.558 . . . . 64.430000000000007 110.684 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.6 t -92.54 -56.59 2.97 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.961 -0.563 . . . . 72.329999999999998 110.375 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 71.9 m -65.84 -41.78 91.32 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.225 0.454 . . . . 73.310000000000002 112.225 -172.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -93.3 -18.63 22.22 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.618 -0.833 . . . . 62.140000000000001 110.849 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.6 -55.16 18.86 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.438 -0.665 . . . . 73.329999999999998 111.438 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -73.71 -13.0 60.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.468 0.651 . . . . 72.120000000000005 110.672 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -75.43 -54.62 6.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.354 -0.839 . . . . 74.239999999999995 109.383 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -70.0 -37.29 75.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 73.340000000000003 109.671 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.3 42.55 Favored Glycine 0 CA--C 1.501 -0.82 0 N-CA-C 110.012 -1.235 . . . . 60.020000000000003 110.012 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.0 ptm -145.66 144.92 30.7 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.667 -1.235 . . . . 72.230000000000004 107.667 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.442 HG21 ' HB ' ' A' ' 591' ' ' VAL . 9.4 tt -110.45 136.7 45.64 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-O 121.676 0.751 . . . . 64.140000000000001 110.293 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.05 129.54 51.7 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.884 -1.053 . . . . 72.400000000000006 109.996 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.2 mm? -124.7 125.25 43.78 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.082 -0.71 . . . . 73.230000000000004 109.082 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.65 117.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.614 -1.254 . . . . 74.010000000000005 107.614 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.821 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.3 m -122.94 152.82 27.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 115.925 -0.58 . . . . 52.200000000000003 109.707 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -113.63 134.31 54.8 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.872 0.844 . . . . 37.020000000000003 112.869 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.675 ' HB2' ' NH2' ' A' ' 637' ' ' ARG . 8.1 tpt180 -108.45 119.87 40.76 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.25 -1.341 . . . . 71.329999999999998 108.463 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -91.05 127.13 36.35 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.138 -1.06 . . . . 75.510000000000005 108.138 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.96 96.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 CA-C-O 122.524 1.154 . . . . 74.109999999999999 109.88 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 49.9 m -150.6 156.86 42.2 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 105.509 -2.034 . . . . 74.099999999999994 105.509 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -77.32 -32.87 55.54 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.145 -0.622 . . . . 75.230000000000004 110.393 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.72 86.4 4.0 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.687 0.756 . . . . 71.510000000000005 109.493 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -156.13 145.1 20.43 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.501 -1.227 . . . . 71.430000000000007 108.72 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--N 1.303 -1.417 0 N-CA-C 109.296 -0.631 . . . . 74.430000000000007 109.296 -178.787 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 121.777 0.799 . . . . 72.450000000000003 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.98 166.36 10.55 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.483 -0.78 . . . . 70.219999999999999 109.293 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . 63.51 82.53 0.18 Allowed 'General case' 0 C--N 1.317 -0.84 0 O-C-N 124.262 0.976 . . . . 50.509999999999998 112.908 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -124.51 134.28 53.06 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.781 -1.933 . . . . 74.310000000000002 105.781 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 7.4 mp 60.53 -165.93 0.2 Allowed 'General case' 0 C--O 1.253 1.244 0 N-CA-C 108.181 -1.044 . . . . 71.329999999999998 108.181 -168.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -157.01 111.51 2.73 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.866 -1.161 . . . . 74.239999999999995 107.866 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 152.73 153.37 6.29 Favored Glycine 0 N--CA 1.409 -3.15 0 N-CA-C 109.76 -1.336 . . . . 64.219999999999999 109.76 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 24.5 m -86.24 85.85 7.34 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.993 -0.743 . . . . 71.519999999999996 108.993 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -136.99 135.02 19.33 Favored Pre-proline 0 N--CA 1.432 -1.357 0 N-CA-C 108.35 -0.982 . . . . 64.200000000000003 108.35 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -93.7 9.01 2.3 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.439 2.093 . . . . 72.239999999999995 110.111 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 58.44 93.08 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.552 1.141 . . . . 74.319999999999993 110.573 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.1 104.12 3.5 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 122.343 1.068 . . . . 74.549999999999997 111.298 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.486 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.6 mt-10 -106.49 150.24 26.29 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 113.6 -1.637 . . . . 72.409999999999997 109.298 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.67 131.14 26.99 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 105.924 -1.88 . . . . 74.420000000000002 105.924 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . 0.407 ' N ' HD13 ' B' ' 783' ' ' ILE . 2.5 mp -108.26 126.41 64.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 120.326 -0.549 . . . . 74.230000000000004 109.895 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.52 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 29.0 pt . . . . . 0 N--CA 1.408 -2.544 0 CA-C-O 118.232 -0.889 . . . . 73.230000000000004 109.055 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 N-CA-C 110.803 -0.919 . . . . 55.32 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 52.5 p -140.74 -179.33 5.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.525 -0.546 . . . . 73.430000000000007 109.525 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 67.49 24.1 8.82 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 123.896 0.747 . . . . 73.150000000000006 110.429 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -77.48 44.5 2.23 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.749 -1.114 . . . . 74.340000000000003 112.885 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 20.6 m -82.61 -18.62 40.55 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 105.867 -1.901 . . . . 64.0 105.867 172.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 139.27 28.84 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 113.79 -1.55 . . . . 72.140000000000001 107.496 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . 0.438 ' CD ' HD12 ' A' ' 684' ' ' ILE . 45.9 mt-10 -110.16 156.24 20.88 Favored 'General case' 0 CA--C 1.485 -1.532 0 N-CA-C 109.465 -0.569 . . . . 75.420000000000002 109.465 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-N 115.537 -0.756 . . . . 73.209999999999994 109.04 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 84.9 mt -123.37 146.24 48.12 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 108.286 -1.005 . . . . 71.120000000000005 108.286 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 26.6 m -111.15 121.89 46.46 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.515 -0.766 . . . . 71.120000000000005 110.323 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.74 137.76 47.99 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 115.72 -0.673 . . . . 73.299999999999997 109.717 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . 0.419 ' HG2' ' OE1' ' A' ' 677' ' ' GLN . 35.5 mt-10 -109.92 128.02 55.11 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.476 -0.564 . . . . 62.329999999999998 109.476 -177.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.406 ' HB ' HG21 ' A' ' 676' ' ' ILE . 59.0 t -128.9 116.76 19.2 Favored Pre-proline 0 C--N 1.294 -1.806 0 N-CA-C 108.386 -0.968 . . . . 63.020000000000003 108.386 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.1 Cg_endo -83.62 148.79 12.67 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.533 1.489 . . . . 72.030000000000001 111.724 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.41 73.32 3.99 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.826 0.822 . . . . 75.450000000000003 111.133 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -119.88 -74.88 0.59 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.488 -1.233 . . . . 72.510000000000005 108.796 175.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.64 -3.52 59.05 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.834 1.302 . . . . 74.530000000000001 107.637 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.507 ' OG ' ' HA ' ' A' ' 601' ' ' LEU . 44.6 t -102.37 124.1 47.34 Favored 'General case' 0 N--CA 1.405 -2.702 0 N-CA-C 103.251 -2.87 . . . . 74.019999999999996 103.251 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.18 10.83 Favored Glycine 1 C--N 1.243 -4.605 0 N-CA-C 107.445 -2.262 . . . . 73.329999999999998 107.445 -172.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 41.0 m -69.63 -25.06 63.75 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.403 -0.899 . . . . 62.329999999999998 108.646 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -135.44 -67.28 0.54 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.319 -1.734 . . . . 65.310000000000002 106.319 168.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -157.0 -71.96 0.01 OUTLIER Glycine 0 C--N 1.277 -2.732 0 N-CA-C 106.253 -2.739 . . . . 72.400000000000006 106.253 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.507 ' HA ' ' OG ' ' A' ' 596' ' ' SER . 11.0 mp -125.44 -41.74 2.01 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 124.526 1.13 . . . . 62.530000000000001 108.39 170.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 104.42 48.7 1.1 Allowed Glycine 1 N--CA 1.391 -4.364 0 N-CA-C 108.867 -1.693 . . . . 75.239999999999995 108.867 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.3 t -136.94 153.49 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 N-CA-C 107.032 -1.47 . . . . 72.239999999999995 107.032 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 29.2 m -115.68 135.05 54.43 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 107.913 -1.143 . . . . 64.129999999999995 107.913 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' A' ' 642' ' ' LEU . 9.4 m -124.89 164.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 CA-C-N 116.168 -0.469 . . . . 73.230000000000004 111.103 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.475 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.68 152.63 35.66 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.784 -0.644 . . . . 64.099999999999994 110.666 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -106.77 134.42 12.16 Favored Glycine 0 C--N 1.293 -1.837 0 C-N-CA 120.195 -1.002 . . . . 42.439999999999998 112.025 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.14 144.64 42.31 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.044 -0.724 . . . . 64.430000000000007 109.044 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 30.2 ttt180 -134.42 128.79 34.25 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 116.55 -0.295 . . . . 75.109999999999999 110.688 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 57.1 m -78.29 123.17 26.65 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.99 -0.744 . . . . 70.310000000000002 108.99 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.542 ' HE2' ' O ' ' B' ' 774' ' ' TYR . 26.6 ttpp -80.39 -45.54 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.184 0.439 . . . . 73.439999999999998 112.184 -174.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.02 -43.41 67.96 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.91 -1.144 . . . . 55.409999999999997 107.91 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -67.41 -26.97 66.69 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.56 -0.904 . . . . 75.099999999999994 108.56 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 68.1 16.46 9.47 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.905 1.682 . . . . 72.219999999999999 111.466 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -126.48 148.57 49.66 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.316 -0.994 . . . . 72.329999999999998 108.316 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.4 p30 -88.06 154.43 20.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.424 -0.91 . . . . 74.349999999999994 112.186 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.12 -5.91 46.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.344 -0.844 . . . . 65.040000000000006 110.871 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.19 -154.31 18.11 Favored Glycine 0 C--N 1.304 -1.229 0 C-N-CA 120.451 -0.88 . . . . 70.109999999999999 112.838 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.7 126.85 72.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.26 -0.645 . . . . 75.120000000000005 109.26 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -119.1 149.11 42.25 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 122.791 0.436 . . . . 74.219999999999999 110.165 -177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.452 ' HA ' HG11 ' A' ' 605' ' ' VAL . 64.0 t -70.39 139.79 19.53 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 N-CA-C 109.568 -0.531 . . . . 74.430000000000007 109.568 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.21 -42.73 3.14 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 122.042 -0.411 . . . . 63.030000000000001 111.178 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 37.6 t -149.12 138.56 21.66 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.608 -0.516 . . . . 62.009999999999998 109.608 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -97.91 128.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.439 -0.948 . . . . 71.439999999999998 108.439 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.03 113.48 25.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 109.511 -0.552 . . . . 50.140000000000001 109.511 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -70.07 123.8 22.5 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.605 -0.725 . . . . 55.520000000000003 109.3 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 126.56 -22.56 5.83 Favored Glycine 0 C--N 1.3 -1.466 0 N-CA-C 110.647 -0.981 . . . . 72.400000000000006 110.647 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -88.41 164.0 33.02 Favored Glycine 0 N--CA 1.436 -1.318 0 N-CA-C 110.192 -1.163 . . . . 75.450000000000003 110.192 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.16 -29.01 67.79 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 117.771 0.785 . . . . 64.120000000000005 110.819 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -66.07 -24.25 66.68 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 116.044 -0.526 . . . . 73.140000000000001 110.977 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -72.77 -52.33 15.46 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.527 -1.269 . . . . 70.540000000000006 109.839 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER -75.88 -49.94 16.45 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.003 1.483 . . . . 53.340000000000003 115.003 -179.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.91 -39.62 29.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.749 0.648 . . . . 63.329999999999998 112.749 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -66.98 -43.81 90.31 Favored Glycine 0 C--O 1.207 -1.582 0 C-N-CA 120.542 -0.837 . . . . 74.319999999999993 113.356 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 57.43 27.21 13.58 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 117.543 0.671 . . . . 74.129999999999995 111.478 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.09 161.57 3.02 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 113.9 1.074 . . . . 73.219999999999999 113.9 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.616 ' O ' ' HB ' ' A' ' 638' ' ' VAL . 19.0 ttm-85 -99.75 -42.65 6.75 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 117.025 2.232 . . . . 62.039999999999999 117.025 -166.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 54.8 t 94.43 129.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 126.583 1.953 . . . . 72.140000000000001 109.483 -169.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 71.82 13.17 6.15 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.191 1.797 . . . . 61.119999999999997 109.875 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.04 144.15 26.35 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.523 -0.762 . . . . 62.509999999999998 110.328 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -87.59 127.47 35.27 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.138 -0.937 . . . . 54.5 112.684 -170.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.8 mp -81.61 118.42 22.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.325 0.583 . . . . 73.209999999999994 110.403 178.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.9 mm -100.36 -57.37 4.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.404 -0.816 . . . . 75.150000000000006 111.406 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.45 148.97 48.0 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.371 -0.377 . . . . 60.240000000000002 110.402 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.442 HG22 ' CD1' ' A' ' 678' ' ' LEU . 9.2 p -135.87 131.7 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 CA-C-O 120.875 0.369 . . . . 65.329999999999998 110.289 -176.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.48 14.3 7.88 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.263 1.025 . . . . 62.299999999999997 111.857 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.45 -1.21 64.05 Favored Glycine 0 N--CA 1.437 -1.281 0 C-N-CA 120.894 -0.669 . . . . 73.319999999999993 111.581 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -103.43 134.7 46.36 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.108 -0.701 . . . . 64.109999999999999 109.108 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 60.2 m -90.92 141.63 28.63 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.978 -0.555 . . . . 75.030000000000001 111.262 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.404 HD21 ' N ' ' A' ' 650' ' ' LEU . 1.2 pt? -133.98 7.61 3.73 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 111.974 0.361 . . . . 64.150000000000006 111.974 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.63 101.32 2.02 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.337 -1.357 . . . . 71.030000000000001 107.337 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.37 -25.97 0.6 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.395 -0.82 . . . . 61.149999999999999 111.433 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . 0.502 ' HZ2' ' HB3' ' A' ' 653' ' ' LYS . 0.7 OUTLIER -94.53 171.06 9.03 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.231 -0.285 . . . . 71.019999999999996 110.231 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.35 171.82 14.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.496 0.554 . . . . 74.409999999999997 112.496 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -50.01 -47.8 52.84 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 123.891 0.876 . . . . 72.239999999999995 110.497 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.09 -45.28 89.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.271 . . . . 74.200000000000003 111.163 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.1 -39.32 75.58 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.287 -0.87 . . . . 75.450000000000003 110.004 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -58.75 -46.21 87.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.008 -0.996 . . . . 71.129999999999995 111.431 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.09 -35.19 80.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.486 -0.485 . . . . 71.439999999999998 112.173 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.96 -44.22 96.64 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.439 -0.578 . . . . 62.439999999999998 109.439 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 77.1 m -63.94 -48.38 76.77 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.69 -0.686 . . . . 74.019999999999996 110.149 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 658' ' ' ALA . 96.0 mt -56.03 -55.98 26.32 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.678 -0.237 . . . . 74.450000000000003 111.595 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -61.82 -33.61 74.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.095 0.474 . . . . 74.450000000000003 111.486 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.36 -45.86 30.09 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.054 -0.521 . . . . 75.310000000000002 111.473 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.0 m -70.48 -35.47 73.28 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 120.596 -0.441 . . . . 72.019999999999996 110.459 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.566 ' SD ' HG22 ' B' ' 784' ' ' ILE . 23.9 ptm -70.8 -28.43 64.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.913 0.387 . . . . 73.430000000000007 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 48.3 t -87.87 -54.38 4.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 116.119 -0.491 . . . . 73.340000000000003 110.085 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 88.1 m -71.42 -54.78 9.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.033 -0.531 . . . . 72.200000000000003 111.922 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 29.7 mm-40 -81.53 -29.31 33.59 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.52 -0.309 . . . . 55.340000000000003 110.886 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.35 -59.31 11.03 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 116.378 -0.374 . . . . 71.299999999999997 112.609 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -66.52 -23.06 66.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.384 0.611 . . . . 75.010000000000005 110.225 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 672' ' ' LYS . 0.4 OUTLIER -72.56 -49.08 34.96 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.005 -0.543 . . . . 75.530000000000001 111.249 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 29.2 mmt180 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.748 0.308 . . . . 71.430000000000007 110.734 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.99 -10.74 67.13 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.284 -1.126 . . . . 43.229999999999997 110.284 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' MET . . . . . 0.428 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.1 ptm -148.66 151.23 34.59 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.446 0.698 . . . . 43.030000000000001 109.257 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.487 HD13 HD11 ' A' ' 601' ' ' LEU . 13.8 tt -111.85 134.05 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.086 0 N-CA-C 107.972 -1.122 . . . . 63.43 107.972 177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . 0.419 ' OE1' ' HG2' ' A' ' 590' ' ' GLU . 5.4 tp-100 -106.19 130.41 54.07 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.239 -1.393 . . . . 64.430000000000007 107.239 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.442 ' CD1' HG22 ' A' ' 645' ' ' VAL . 1.3 mm? -124.44 125.44 44.28 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.817 -0.753 . . . . 74.25 111.05 -177.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.4 mp -107.44 121.88 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.128 -1.434 . . . . 75.099999999999994 107.128 172.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.37 161.15 25.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 N-CA-C 109.56 -0.533 . . . . 74.010000000000005 109.56 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -110.4 124.54 51.92 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.716 -1.216 . . . . 61.420000000000002 107.716 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.84 136.15 54.59 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.594 -0.73 . . . . 75.239999999999995 111.033 -174.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -71.29 143.89 50.17 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.354 0.597 . . . . 74.530000000000001 112.187 -173.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . 0.438 HD12 ' CD ' ' A' ' 585' ' ' GLU . 43.2 mm -88.51 74.78 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 CA-C-O 122.636 1.207 . . . . 72.129999999999995 108.881 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 50.0 m -162.99 130.67 3.67 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 113.018 -1.901 . . . . 61.439999999999998 106.315 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.89 96.6 9.38 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 107.055 -1.461 . . . . 72.319999999999993 107.055 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 10.1 p -96.81 132.58 42.39 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.897 -1.047 . . . . 75.549999999999997 113.137 -171.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.64 98.12 10.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.835 -1.542 . . . . 73.120000000000005 106.835 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.257 1.482 0 O-C-N 123.915 0.76 . . . . 74.109999999999999 111.781 -175.179 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 C--O 1.244 0.788 0 N-CA-C 109.389 -0.597 . . . . 72.549999999999997 109.389 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.49 85.72 2.28 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.907 0.86 . . . . 75.519999999999996 112.655 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -90.11 -50.57 5.93 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.787 -1.19 . . . . 63.539999999999999 107.787 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 64.94 124.36 0.02 OUTLIER 'General case' 0 C--O 1.249 1.045 0 C-N-CA 125.463 1.505 . . . . 75.420000000000002 113.121 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.3 mp 68.24 178.09 0.25 Allowed 'General case' 0 C--O 1.245 0.849 0 CA-C-N 114.795 -1.093 . . . . 73.209999999999994 111.672 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . 0.542 ' O ' ' HE2' ' A' ' 611' ' ' LYS . 84.6 t80 -97.53 -45.68 6.33 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.741 -1.577 . . . . 74.319999999999993 106.741 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 172.96 162.29 24.79 Favored Glycine 0 N--CA 1.406 -3.309 0 N-CA-C 110.144 -1.182 . . . . 71.109999999999999 110.144 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 23.4 p -97.76 85.76 3.63 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-O 121.398 0.618 . . . . 38.530000000000001 112.306 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 150.48 78.38 Favored Pre-proline 0 CA--C 1.502 -0.88 0 CA-C-N 115.299 -0.864 . . . . 74.030000000000001 108.912 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.88 -31.17 67.77 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 121.522 1.482 . . . . 63.409999999999997 109.042 172.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 50.63 84.8 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.81 1.644 . . . . 73.299999999999997 111.628 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -107.66 123.73 48.94 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 113.187 0.81 . . . . 62.119999999999997 113.187 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 40.6 mt-10 -116.22 131.43 56.95 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 113.426 -1.716 . . . . 61.310000000000002 107.862 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.1 tp -129.61 129.08 43.91 Favored 'General case' 0 N--CA 1.404 -2.772 0 CA-C-N 115.811 -0.631 . . . . 72.239999999999995 110.273 -177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.63 122.5 47.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 109.308 -0.627 . . . . 73.109999999999999 109.308 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.566 HG22 ' SD ' ' A' ' 666' ' ' MET . 26.4 pt . . . . . 0 N--CA 1.401 -2.889 0 N-CA-C 108.136 -1.061 . . . . 74.140000000000001 108.136 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.869 0 N-CA-C 111.176 -0.77 . . . . 52.240000000000002 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.1 m 66.09 -179.82 0.2 Allowed 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.814 0.846 . . . . 74.420000000000002 111.237 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.35 127.22 31.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 74.310000000000002 110.675 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -104.64 29.75 11.3 Favored Glycine 0 N--CA 1.436 -1.336 0 CA-C-N 115.802 -0.635 . . . . 72.540000000000006 112.324 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -92.34 -59.26 2.13 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.899 -1.519 . . . . 71.109999999999999 106.899 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -122.28 139.45 53.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.552 -1.647 . . . . 71.439999999999998 106.552 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 16.9 pt-20 -110.31 144.65 38.71 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.223 -0.991 . . . . 74.349999999999994 111.106 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . 0.474 ' CE2' HG22 ' A' ' 643' ' ' ILE . 4.1 m-30 -91.8 128.49 37.65 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.459 -0.792 . . . . 73.430000000000007 109.58 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.73 131.44 51.34 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.313 -0.995 . . . . 74.510000000000005 108.313 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 29.9 m -101.41 124.14 46.61 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.276 -0.874 . . . . 65.239999999999995 110.844 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -118.86 130.18 55.61 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.953 -0.567 . . . . 72.049999999999997 109.489 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.94 135.34 48.67 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 120.977 0.417 . . . . 75.430000000000007 110.149 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.458 ' HB ' HG21 ' A' ' 676' ' ' ILE . 61.0 t -125.14 117.82 25.47 Favored Pre-proline 0 C--N 1.291 -1.949 0 N-CA-C 108.549 -0.908 . . . . 72.040000000000006 108.549 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -79.27 147.04 20.21 Favored 'Trans proline' 0 N--CA 1.427 -2.42 0 N-CA-C 108.895 -1.233 . . . . 53.32 108.895 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.42 80.16 4.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 122.064 0.935 . . . . 75.109999999999999 109.691 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 596' ' ' SER . 13.3 m120 -122.83 119.54 30.85 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 114.258 -1.337 . . . . 74.349999999999994 111.063 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 t70 71.59 -11.38 0.73 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.52 1.528 . . . . 53.140000000000001 111.457 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 594' ' ' ASN . 20.3 m -82.06 102.41 10.99 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 115.025 -0.989 . . . . 50.450000000000003 108.87 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -131.54 -39.85 0.24 Allowed Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 109.367 -1.493 . . . . 55.439999999999998 109.367 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.1 m -72.99 -21.62 60.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.713 0.768 . . . . 73.540000000000006 109.381 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.88 43.36 Favored 'General case' 0 N--CA 1.395 -3.212 0 N-CA-C 105.493 -2.04 . . . . 74.420000000000002 105.493 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -76.91 -52.57 5.73 Favored Glycine 0 C--N 1.27 -3.13 0 N-CA-C 110.01 -1.236 . . . . 52.119999999999997 110.01 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.475 HD22 HG23 ' A' ' 676' ' ' ILE . 12.4 mt -113.81 -35.3 5.19 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.265 -1.013 . . . . 72.409999999999997 108.265 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.535 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.49 51.94 2.61 Favored Glycine 0 N--CA 1.401 -3.648 0 CA-C-N 114.378 -1.283 . . . . 36.939999999999998 110.505 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.5 t -140.2 152.0 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 N-CA-C 106.275 -1.75 . . . . 72.319999999999993 106.275 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 40.1 m -111.87 131.93 55.04 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.959 -1.497 . . . . 73.430000000000007 106.959 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' A' ' 621' ' ' VAL . 4.2 m -124.76 164.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.688 0 CA-C-O 121.336 0.589 . . . . 71.120000000000005 112.027 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -149.1 152.34 35.99 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.828 -1.078 . . . . 65.549999999999997 109.747 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.37 122.19 5.74 Favored Glycine 0 C--N 1.276 -2.79 0 C-N-CA 120.546 -0.835 . . . . 62.229999999999997 111.26 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -94.41 138.84 31.87 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-O 121.474 0.654 . . . . 54.149999999999999 111.099 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 56.0 ttp180 -130.45 125.27 33.99 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 107.586 -1.264 . . . . 73.329999999999998 107.586 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.668 ' OG ' ' HB3' ' A' ' 613' ' ' ASN . 60.2 p -66.87 126.06 27.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 123.835 0.709 . . . . 72.109999999999999 109.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.412 ' HD2' ' HA3' ' B' ' 775' ' ' GLY . 49.1 mtmt -77.58 -41.8 37.48 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 106.733 -1.58 . . . . 75.340000000000003 106.733 175.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.33 -52.6 64.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.953 -1.476 . . . . 73.530000000000001 111.08 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.668 ' HB3' ' OG ' ' A' ' 610' ' ' SER . 52.4 t-20 -87.43 -26.03 23.47 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.986 0.422 . . . . 74.319999999999993 110.549 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 66.2 m80 77.22 4.59 3.22 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.653 1.181 . . . . 61.020000000000003 112.539 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -103.96 149.64 24.95 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.712 -0.847 . . . . 61.420000000000002 108.712 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.6 p-10 -86.14 141.22 29.54 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 119.816 -0.754 . . . . 63.219999999999999 109.945 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.37 -12.45 40.35 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.296 -0.865 . . . . 74.400000000000006 109.52 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 108.81 -167.28 12.98 Favored Glycine 0 C--N 1.311 -0.823 0 CA-C-N 115.238 -0.892 . . . . 63.119999999999997 112.94 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -99.27 131.19 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.373 0.669 . . . . 64.319999999999993 109.94 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.545 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 87.2 m-85 -130.56 144.96 51.76 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.806 0.336 . . . . 75.0 110.567 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.435 ' HA ' HG11 ' A' ' 605' ' ' VAL . 84.7 t -65.82 131.83 31.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 CA-C-N 116.048 -0.524 . . . . 75.140000000000001 110.376 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -105.7 -38.06 6.53 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 120.942 0.401 . . . . 63.219999999999999 110.834 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.9 t -149.01 135.79 19.69 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 109.617 -0.512 . . . . 62.049999999999997 109.617 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.03 125.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.143 -1.058 . . . . 74.150000000000006 108.143 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -92.42 113.76 28.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.35 0.595 . . . . 64.329999999999998 109.758 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.15 114.14 15.64 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.009 -1.108 . . . . 62.409999999999997 108.009 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.17 -22.28 2.76 Favored Glycine 0 N--CA 1.427 -1.944 0 N-CA-C 110.355 -1.098 . . . . 75.129999999999995 110.355 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -89.47 156.1 25.54 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.723 -0.751 . . . . 71.329999999999998 111.866 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.41 74.09 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 111.723 0.268 . . . . 75.329999999999998 111.723 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.434 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -63.13 -27.24 69.24 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-O 121.304 0.573 . . . . 65.239999999999995 110.588 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.4 t -74.37 -54.82 6.86 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.049 -0.978 . . . . 74.549999999999997 109.766 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.367 0.0 OUTLIER -75.82 -35.2 60.1 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.582 1.697 . . . . 72.430000000000007 115.582 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 -47.14 19.28 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 112.403 0.52 . . . . 54.25 112.403 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.51 -43.06 5.63 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.06 -1.067 . . . . 74.0 114.976 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 61.75 82.96 0.16 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.758 -0.46 . . . . 73.400000000000006 109.758 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.34 177.93 4.73 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.102 -0.374 . . . . 75.340000000000003 111.539 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.544 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.0 OUTLIER -112.79 170.44 8.19 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.133 -0.692 . . . . 72.439999999999998 109.133 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.4 t -85.68 142.19 13.51 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 107.439 -1.319 . . . . 74.540000000000006 107.439 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 68.71 18.85 8.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.017 1.327 . . . . 73.140000000000001 109.578 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 37.0 t0 -70.68 137.63 49.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.635 -1.246 . . . . 75.030000000000001 107.635 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -86.49 113.05 22.1 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 123.819 0.847 . . . . 62.43 111.316 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.432 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.6 mp -80.37 121.79 26.14 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 120.969 0.414 . . . . 45.100000000000001 109.972 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.474 HG22 ' CE2' ' A' ' 586' ' ' PHE . 49.4 mm -101.4 -60.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.699 -0.682 . . . . 75.219999999999999 111.62 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -138.62 157.59 45.86 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.991 -0.55 . . . . 65.349999999999994 110.628 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.451 HG22 ' CD1' ' A' ' 678' ' ' LEU . 14.9 p -138.49 131.69 40.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 O-C-N 123.344 0.402 . . . . 75.010000000000005 109.92 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 86.5 m-20 52.45 29.57 7.17 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.52 0.933 . . . . 74.150000000000006 113.52 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.39 -8.7 78.05 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.9 -0.667 . . . . 51.149999999999999 113.098 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.45 130.37 34.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 106.63 -1.619 . . . . 74.439999999999998 106.63 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.6 t -89.12 111.52 22.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.605 0.716 . . . . 72.329999999999998 111.12 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 6.5 mp -92.87 -18.98 22.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 115.877 -0.602 . . . . 71.040000000000006 109.85 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.94 94.79 1.49 Allowed 'General case' 0 N--CA 1.428 -1.561 0 N-CA-C 108.208 -1.034 . . . . 71.549999999999997 108.208 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.98 -41.07 0.61 Allowed Glycine 0 C--N 1.287 -2.157 0 N-CA-C 108.902 -1.679 . . . . 71.129999999999995 108.902 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -88.26 166.53 14.26 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.576 -0.812 . . . . 73.25 109.716 173.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.14 160.65 29.54 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 123.328 0.392 . . . . 63.229999999999997 111.402 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.654 ' O ' ' HG3' ' A' ' 659' ' ' MET . 32.9 p30 -49.35 -46.48 47.09 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.166 0.802 . . . . 71.349999999999994 113.166 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.39 -46.87 79.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.418 0.628 . . . . 75.200000000000003 110.758 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.74 -42.31 95.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.315 -0.857 . . . . 74.319999999999993 108.857 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.61 77.18 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.75 -1.113 . . . . 65.200000000000003 110.971 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.2 mtp -61.58 -42.04 98.28 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.056 0.142 . . . . 70.209999999999994 110.797 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.02 -41.04 87.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.871 0.367 . . . . 65.230000000000004 110.611 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.4 m -66.02 -39.45 90.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.874 -0.417 . . . . 74.329999999999998 109.874 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.2 -52.54 65.25 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 124.125 0.97 . . . . 74.040000000000006 111.165 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 659' ' ' MET . 71.2 mtp180 -56.04 -49.08 74.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.714 0.634 . . . . 65.439999999999998 110.616 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -66.67 -43.22 85.11 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 115.683 -0.69 . . . . 73.340000000000003 111.771 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 42.4 m -70.38 -31.33 68.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 122.018 -0.426 . . . . 55.340000000000003 111.495 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.52 ' SD ' HG22 ' B' ' 784' ' ' ILE . 22.2 ptm -77.8 -35.47 51.41 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.216 -0.994 . . . . 74.129999999999995 110.358 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 34.4 t -76.54 -48.56 18.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 74.129999999999995 110.219 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 89.0 m -75.43 -50.62 15.25 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.24 -0.436 . . . . 74.25 112.127 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -86.82 -56.32 3.45 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.282 -0.967 . . . . 70.319999999999993 112.446 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -51.97 -59.13 9.12 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 114.086 0.394 . . . . 50.140000000000001 114.086 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -70.18 -4.9 23.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.495 0.924 . . . . 60.229999999999997 113.495 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -114.07 -28.16 7.43 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.34 -0.544 . . . . 75.230000000000004 111.781 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -76.24 -27.03 56.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.73 -0.841 . . . . 75.329999999999998 108.73 173.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 99.53 -20.73 48.42 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.734 -0.946 . . . . 75.319999999999993 110.734 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.7 ptp -146.45 153.66 40.7 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.161 0.505 . . . . 74.349999999999994 109.651 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.475 HG23 HD22 ' A' ' 601' ' ' LEU . 8.6 tt -122.21 144.49 31.34 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.707 0 CA-C-N 114.87 -1.059 . . . . 74.129999999999995 110.081 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -109.66 129.96 55.55 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.81 -0.441 . . . . 75.400000000000006 109.81 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 645' ' ' VAL . 1.5 mm? -122.99 128.59 50.41 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.876 -0.416 . . . . 54.43 109.876 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -108.4 118.23 55.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.21 -1.404 . . . . 75.109999999999999 107.21 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.413 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 24.0 m -123.15 158.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 123.283 0.365 . . . . 73.099999999999994 110.138 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -124.92 125.62 44.22 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.098 0.475 . . . . 61.439999999999998 110.717 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -110.12 159.81 17.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.794 -0.817 . . . . 64.140000000000001 108.794 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -82.66 124.45 30.21 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.995 -0.743 . . . . 61.149999999999999 108.995 173.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.77 -39.49 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-O 121.888 0.851 . . . . 75.239999999999995 108.751 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.6 m -101.31 91.19 4.38 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.34 -1.3 . . . . 74.219999999999999 108.058 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -98.42 101.04 12.37 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.308 -0.997 . . . . 70.239999999999995 108.308 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.55 119.24 22.95 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.791 -0.64 . . . . 73.109999999999999 110.36 -176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.04 96.51 8.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.365 -0.976 . . . . 72.239999999999995 108.365 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.299 -1.612 0 CA-C-N 115.181 -0.918 . . . . 74.310000000000002 110.048 -176.077 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.855 0.36 . . . . 74.219999999999999 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.5 mp -108.1 144.11 35.93 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.946 -0.57 . . . . 71.319999999999993 110.573 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -92.2 -24.88 18.9 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.213 -1.032 . . . . 75.030000000000001 108.213 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 67.2 166.86 0.23 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.961 1.304 . . . . 54.329999999999998 112.46 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 62.9 tp -114.28 134.81 54.68 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.225 -0.443 . . . . 73.519999999999996 110.574 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.67 102.93 7.04 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 104.966 -2.235 . . . . 75.400000000000006 104.966 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 611' ' ' LYS . . . 120.03 76.32 0.47 Allowed Glycine 0 N--CA 1.398 -3.9 0 C-N-CA 119.528 -1.32 . . . . 72.310000000000002 110.48 -174.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 52.7 m -75.79 88.14 2.82 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 121.444 0.64 . . . . 65.439999999999998 110.884 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.0 139.89 36.32 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 107.781 -1.192 . . . . 71.200000000000003 107.781 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.2 -12.37 21.12 Favored 'Trans proline' 0 C--O 1.24 0.593 0 C-N-CA 122.462 2.108 . . . . 72.099999999999994 112.38 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 64.91 101.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 124.295 0.997 . . . . 65.099999999999994 109.771 -176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . 0.559 ' HB3' ' SD ' ' A' ' 659' ' ' MET . 7.9 mm-40 -72.47 118.49 15.44 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.362 0.875 . . . . 72.140000000000001 113.362 -175.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -130.16 134.52 47.37 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 113.891 -1.504 . . . . 64.349999999999994 110.142 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 58.4 tp -136.9 131.61 33.35 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 116.074 -0.512 . . . . 73.030000000000001 109.973 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -98.02 121.73 48.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 107.644 -1.243 . . . . 72.150000000000006 107.644 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.52 HG22 ' SD ' ' A' ' 666' ' ' MET . 11.0 pt . . . . . 0 N--CA 1.411 -2.392 0 CA-C-O 117.84 -1.076 . . . . 73.120000000000005 110.455 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.86 0 N-CA-C 110.741 -0.944 . . . . 70.109999999999999 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 36.9 p -100.01 122.35 42.76 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 117.05 0.425 . . . . 64.099999999999994 111.014 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 33.7 t70 74.15 -45.21 0.59 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 124.982 1.313 . . . . 75.099999999999994 112.206 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 105.78 147.53 15.48 Favored Glycine 0 N--CA 1.424 -2.141 0 N-CA-C 110.741 -0.944 . . . . 53.149999999999999 110.741 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 30.5 m -73.72 97.4 2.69 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 108.628 -0.879 . . . . 72.420000000000002 108.628 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -144.64 163.04 35.13 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.204 -0.907 . . . . 71.310000000000002 109.123 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -144.36 150.45 37.8 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 109.267 -0.642 . . . . 73.239999999999995 109.267 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . 0.471 ' CE2' HG22 ' A' ' 643' ' ' ILE . 3.2 m-30 -102.66 122.34 44.24 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.314 0.383 . . . . 74.209999999999994 110.697 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 146.32 32.1 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.191 -0.67 . . . . 64.209999999999994 109.191 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 24.6 m -110.68 121.28 44.94 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.508 -0.923 . . . . 64.409999999999997 108.508 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.53 127.63 53.81 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.374 -0.375 . . . . 72.510000000000005 110.045 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.34 119.31 38.42 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.417 -0.957 . . . . 63.520000000000003 108.417 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.97 117.19 37.39 Favored Pre-proline 0 C--N 1.283 -2.292 0 CA-C-N 115.257 -0.883 . . . . 74.519999999999996 109.697 -171.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -78.09 148.46 24.56 Favored 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.494 1.463 . . . . 64.030000000000001 110.465 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.57 73.23 3.28 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 122.577 1.179 . . . . 74.150000000000006 110.132 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -107.99 -67.33 0.97 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 113.634 -1.621 . . . . 74.340000000000003 107.919 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.492 ' HB2' ' N ' ' A' ' 629' ' ' ALA . 5.3 m-20 -86.08 73.39 10.27 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 122.526 1.155 . . . . 73.450000000000003 108.309 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 41.0 t -143.24 135.13 26.75 Favored 'General case' 0 N--CA 1.384 -3.761 0 CA-C-N 112.7 -2.045 . . . . 73.329999999999998 106.869 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 164.55 -45.93 0.3 Allowed Glycine 1 C--N 1.25 -4.235 0 N-CA-C 109.551 -1.42 . . . . 60.039999999999999 109.551 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 29.1 t -81.34 -32.05 33.17 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 107.954 -1.128 . . . . 72.239999999999995 107.954 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -148.49 -175.32 4.88 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 106.26 -1.756 . . . . 75.450000000000003 106.26 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -91.77 -60.31 1.28 Allowed Glycine 0 C--N 1.267 -3.26 0 N-CA-C 109.872 -1.291 . . . . 73.230000000000004 109.872 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.52 ' CD1' ' HE2' ' A' ' 666' ' ' MET . 6.9 mp -108.39 -28.05 9.61 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.19 -0.67 . . . . 61.539999999999999 109.19 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.478 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 82.52 49.9 4.97 Favored Glycine 1 N--CA 1.391 -4.331 0 N-CA-C 109.288 -1.525 . . . . 37.630000000000003 109.288 -178.618 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.11 151.56 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.108 0 N-CA-C 106.939 -1.504 . . . . 75.430000000000007 106.939 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 45.3 m -114.63 132.57 56.32 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 107.225 -1.398 . . . . 64.030000000000001 107.225 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' A' ' 621' ' ' VAL . 2.0 m -124.2 162.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.117 0 CA-C-N 115.585 -0.734 . . . . 64.230000000000004 111.209 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -150.23 153.51 36.34 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.081 -0.963 . . . . 60.310000000000002 109.078 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' B' ' 778' ' ' PRO . . . -105.47 152.47 17.21 Favored Glycine 0 C--N 1.267 -3.252 0 C-N-CA 119.605 -1.283 . . . . 70.200000000000003 111.216 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.521 HD21 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -123.36 130.36 52.61 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.986 -1.487 . . . . 74.409999999999997 106.986 179.149 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.521 ' N ' HD21 ' A' ' 608' ' ' ASN . 48.8 ttp180 -127.73 138.72 52.87 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.734 -0.469 . . . . 64.120000000000005 109.734 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.9 m -83.48 147.3 27.9 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.549 -0.75 . . . . 53.229999999999997 111.972 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 612' ' ' GLU . 63.0 pttt -85.48 -52.57 5.75 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 120.952 0.406 . . . . 73.299999999999997 110.366 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 611' ' ' LYS . 39.9 tt0 -79.1 -43.08 24.83 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 123.688 0.795 . . . . 65.420000000000002 110.332 -175.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.513 ' ND2' ' HB2' ' A' ' 615' ' ' ALA . 11.3 t30 -74.5 -15.81 60.86 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.765 -0.652 . . . . 73.439999999999998 110.061 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.6 m80 57.53 11.9 1.36 Allowed 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 124.528 1.131 . . . . 63.509999999999998 113.772 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . 0.513 ' HB2' ' ND2' ' A' ' 613' ' ' ASN . . . -117.39 161.55 19.36 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 109.581 -0.525 . . . . 64.219999999999999 109.581 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.28 143.37 29.59 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.4 -1.333 . . . . 62.210000000000001 107.4 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.61 -15.79 38.69 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.808 -1.182 . . . . 74.310000000000002 107.808 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 114.21 -169.0 12.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.648 -1.16 . . . . 71.239999999999995 112.226 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . 0.408 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 48.5 mm -103.59 126.37 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.215 -1.032 . . . . 73.5 108.215 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -119.99 148.44 43.55 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 122.805 0.442 . . . . 74.430000000000007 110.053 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.446 ' HA ' HG11 ' A' ' 605' ' ' VAL . 73.9 t -68.67 130.91 33.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 109.708 -0.478 . . . . 71.310000000000002 109.708 173.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -105.87 -38.01 6.49 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 116.101 -0.499 . . . . 75.329999999999998 111.206 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.7 m -150.04 140.48 22.39 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.181 -0.463 . . . . 65.510000000000005 109.957 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.0 mp -104.11 129.26 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 108.725 -0.843 . . . . 73.450000000000003 108.725 177.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.3 mt -89.96 119.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 CA-C-N 115.9 -0.591 . . . . 63.109999999999999 109.653 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -79.07 90.6 4.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.133 -1.062 . . . . 73.120000000000005 108.133 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 160.94 33.3 0.02 OUTLIER Glycine 0 C--N 1.291 -1.955 0 N-CA-C 109.592 -1.403 . . . . 64.310000000000002 109.592 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 601' ' ' LEU . . . -148.9 150.6 22.77 Favored Glycine 0 N--CA 1.425 -2.092 0 N-CA-C 110.263 -1.135 . . . . 53.5 110.263 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . 0.492 ' N ' ' HB2' ' A' ' 595' ' ' ASP . . . -65.27 -29.93 70.75 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.199 0.444 . . . . 73.120000000000005 112.199 -176.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.89 64.54 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 121.242 0.544 . . . . 62.030000000000001 110.235 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 32.8 t -74.6 -52.42 11.82 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.379 -0.828 . . . . 74.219999999999999 109.667 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.19 -50.02 21.04 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.263 0.838 . . . . 73.219999999999999 113.263 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -80.28 -42.82 22.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.303 0.483 . . . . 71.140000000000001 112.303 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -87.58 -43.68 5.73 Favored Glycine 0 C--O 1.223 -0.532 0 C-N-CA 120.43 -0.89 . . . . 73.25 114.77 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 61.93 81.58 0.19 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.545 0.673 . . . . 74.230000000000004 112.056 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.83 171.65 8.17 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.755 -0.461 . . . . 75.109999999999999 109.755 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.567 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 0.4 OUTLIER -117.69 169.78 9.3 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.072 -0.651 . . . . 75.310000000000002 109.609 -175.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.99 144.14 10.68 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 107.054 -1.461 . . . . 75.140000000000001 107.054 171.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 59.2 t30 71.57 18.92 5.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.563 1.173 . . . . 75.420000000000002 109.044 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.434 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 52.1 t0 -84.59 129.48 34.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.205 -1.406 . . . . 70.209999999999994 107.205 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -89.4 122.69 32.86 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.198 0.444 . . . . 72.019999999999996 112.198 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.5 mp -81.94 114.19 20.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.688 -0.687 . . . . 72.109999999999999 110.229 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.471 HG22 ' CE2' ' A' ' 586' ' ' PHE . 45.1 mm -94.15 -55.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.497 -0.774 . . . . 74.230000000000004 111.088 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -140.58 146.0 37.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.305 -0.861 . . . . 37.630000000000003 110.515 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.71 130.67 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 CA-C-O 121.144 0.497 . . . . 54.140000000000001 110.083 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.403 ' ND2' HG13 ' A' ' 676' ' ' ILE . 18.6 m120 57.16 23.68 8.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.823 1.249 . . . . 53.340000000000003 111.903 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 92.2 6.19 65.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.897 -0.668 . . . . 60.119999999999997 113.355 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -117.95 126.85 53.12 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 122.134 -0.627 . . . . 72.239999999999995 109.614 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.8 m -78.35 146.35 34.72 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 120.769 0.319 . . . . 71.030000000000001 111.358 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.82 17.58 2.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.627 0.727 . . . . 75.310000000000002 109.871 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.5 -14.5 62.55 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.132 -0.94 . . . . 71.040000000000006 111.034 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -115.27 45.08 1.36 Allowed Glycine 0 N--CA 1.435 -1.386 0 C-N-CA 120.771 -0.728 . . . . 53.219999999999999 112.869 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.82 176.24 10.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 117.025 0.412 . . . . 75.140000000000001 110.787 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.87 165.58 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.174 0.589 . . . . 73.510000000000005 112.165 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -48.35 76.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.272 0.358 . . . . 75.140000000000001 111.198 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.44 -52.31 65.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 121.43 0.634 . . . . 63.329999999999998 111.315 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.02 -43.88 78.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 113.959 -1.473 . . . . 54.210000000000001 110.209 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.82 98.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.658 -0.701 . . . . 64.120000000000005 110.981 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.81 -41.07 96.07 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 120.65 0.262 . . . . 71.200000000000003 111.019 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -61.02 -44.53 97.28 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 108.788 -0.819 . . . . 65.239999999999995 108.788 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 94.0 m -61.33 -46.56 89.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.948 0.499 . . . . 53.439999999999998 110.918 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -57.43 -56.79 17.25 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 122.246 0.218 . . . . 65.239999999999995 111.323 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.57 -37.72 87.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 72.549999999999997 110.191 -176.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.62 -46.41 89.94 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 115.433 -0.803 . . . . 71.400000000000006 110.191 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.8 m -69.42 -33.6 73.21 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 116.489 -0.323 . . . . 60.409999999999997 110.866 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.1 mtp -69.89 -41.38 74.82 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.188 0.518 . . . . 74.439999999999998 109.971 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 21.8 t -77.67 -50.49 12.37 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.488 -0.778 . . . . 72.310000000000002 110.715 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.8 m -74.23 -49.97 21.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 112.227 0.455 . . . . 74.409999999999997 112.227 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -94.15 -44.4 8.02 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 112.931 0.715 . . . . 61.030000000000001 112.931 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.22 -56.72 22.8 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-O 120.129 -0.261 . . . . 51.340000000000003 113.391 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.88 -8.27 53.39 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.097 0.475 . . . . 71.310000000000002 111.679 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -90.87 -54.72 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.121 -0.49 . . . . 75.120000000000005 110.255 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -73.0 -28.85 62.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.903 -0.589 . . . . 64.450000000000003 111.077 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 95.44 -13.47 66.59 Favored Glycine 0 C--O 1.242 0.598 0 N-CA-C 110.499 -1.04 . . . . 73.209999999999994 110.499 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 20.6 ptp -147.31 145.09 29.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 123.629 0.772 . . . . 71.420000000000002 109.87 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.466 HD13 HD11 ' A' ' 601' ' ' LEU . 11.5 tt -112.44 135.03 53.1 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-N 115.044 -0.98 . . . . 63.200000000000003 110.566 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.87 132.6 50.91 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.025 -0.534 . . . . 72.230000000000004 110.488 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.457 ' N ' HD22 ' A' ' 678' ' ' LEU . 0.9 OUTLIER -127.26 127.84 45.04 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.393 -0.595 . . . . 74.109999999999999 109.393 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -106.01 115.9 48.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.872 -1.529 . . . . 70.530000000000001 106.872 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.434 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.4 m -123.72 152.77 29.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.971 0 CA-C-N 116.109 -0.496 . . . . 73.019999999999996 109.874 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.06 127.96 54.3 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.393 -0.367 . . . . 72.439999999999998 111.222 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.448 ' NH2' HH21 ' A' ' 637' ' ' ARG . 4.1 ptp180 -108.61 143.39 37.73 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.534 -1.284 . . . . 43.350000000000001 107.534 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -92.69 138.9 31.09 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.367 -0.605 . . . . 73.409999999999997 109.367 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 684' ' ' ILE . 3.2 mp -87.49 107.52 17.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 N-CA-C 108.709 -0.848 . . . . 75.530000000000001 108.709 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 39.5 t -131.68 -66.36 0.72 Allowed 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.706 -1.22 . . . . 71.120000000000005 107.706 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 59.52 -178.74 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.643 0.777 . . . . 72.019999999999996 110.85 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.6 m 68.16 -54.57 0.52 Allowed 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.806 1.039 . . . . 74.510000000000005 113.806 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.23 -62.82 1.48 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 122.764 0.425 . . . . 74.140000000000001 110.87 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.312 -1.029 0 N-CA-C 107.981 -1.118 . . . . 73.049999999999997 107.981 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 C--O 1.243 0.759 0 CA-C-O 120.75 0.309 . . . . 73.140000000000001 110.794 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.16 116.06 23.51 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 110.385 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -105.97 -23.85 12.56 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.148 -0.478 . . . . 73.319999999999993 110.895 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 71.7 155.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.363 1.065 . . . . 61.229999999999997 112.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 92.7 mt 75.03 -172.72 0.11 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.975 1.31 . . . . 62.32 111.658 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -98.59 -32.35 11.48 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.78 0.8 . . . . 75.349999999999994 109.981 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 134.01 87.34 0.29 Allowed Glycine 0 N--CA 1.406 -3.341 0 CA-C-N 115.033 -0.985 . . . . 70.349999999999994 111.283 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 29.5 p -151.19 151.16 31.51 Favored 'General case' 0 N--CA 1.407 -2.595 0 N-CA-C 105.753 -1.944 . . . . 52.130000000000003 105.753 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.62 98.46 40.97 Favored Pre-proline 0 C--N 1.288 -2.085 0 C-N-CA 120.124 -0.63 . . . . 72.510000000000005 111.925 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . 0.63 ' HA ' ' O ' ' A' ' 607' ' ' GLY . 32.1 Cg_endo -105.01 20.81 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.84 3.027 . . . . 74.340000000000003 110.148 173.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -70.37 -30.46 67.39 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.141 -0.936 . . . . 74.010000000000005 112.916 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.12 112.8 15.45 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.909 -0.716 . . . . 61.210000000000001 111.201 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -115.92 152.38 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.715 0.806 . . . . 71.299999999999997 110.088 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.74 135.02 20.57 Favored 'General case' 0 N--CA 1.421 -1.923 0 N-CA-C 107.538 -1.282 . . . . 74.109999999999999 107.538 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . 0.407 ' N ' HD13 ' B' ' 783' ' ' ILE . 2.5 mp -104.87 129.51 57.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.625 -0.88 . . . . 73.239999999999995 108.625 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 24.6 pt . . . . . 0 N--CA 1.423 -1.795 0 CA-C-O 117.715 -1.136 . . . . 72.299999999999997 111.265 -179.306 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.227 0 N-CA-C 110.419 -1.073 . . . . 72.519999999999996 110.419 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 21.3 m -88.27 143.19 27.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 109.389 -0.597 . . . . 71.310000000000002 109.389 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -54.65 -56.53 18.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 123.637 0.586 . . . . 62.020000000000003 110.134 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -119.57 148.61 18.07 Favored Glycine 0 N--CA 1.413 -2.858 0 N-CA-C 109.759 -1.336 . . . . 54.119999999999997 109.759 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 24.6 m -71.72 107.97 4.81 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.144 -0.687 . . . . 75.510000000000005 109.144 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 683' ' ' ARG . 39.9 ptt180 -143.44 153.82 43.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 112.372 0.508 . . . . 74.430000000000007 112.372 -176.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -116.32 137.06 52.46 Favored 'General case' 0 N--CA 1.424 -1.725 0 CA-C-N 115.285 -0.87 . . . . 70.200000000000003 109.113 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.83 122.4 35.18 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 109.205 -0.665 . . . . 75.329999999999998 109.205 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 93.6 mt -112.28 131.27 55.6 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-O 120.992 0.425 . . . . 73.219999999999999 110.492 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 53.6 m -107.06 122.18 45.95 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-N 115.041 -0.981 . . . . 73.409999999999997 109.04 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -121.77 121.14 36.58 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.43 -0.35 . . . . 74.439999999999998 110.662 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.47 112.01 24.56 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.064 0.935 . . . . 74.040000000000006 108.609 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.03 118.96 51.43 Favored Pre-proline 0 C--N 1.278 -2.519 0 CA-C-N 113.712 -1.586 . . . . 74.030000000000001 109.925 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.74 148.2 41.08 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.567 1.512 . . . . 74.409999999999997 110.74 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.3 73.46 3.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.861 0.838 . . . . 74.439999999999998 108.991 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.73 -51.94 3.32 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.687 -1.142 . . . . 65.430000000000007 110.75 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.78 17.33 9.19 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 121.607 0.718 . . . . 74.400000000000006 109.434 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.701 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.1 t -73.6 116.72 14.52 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 114.888 -1.051 . . . . 75.150000000000006 110.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 177.67 -60.29 0.09 OUTLIER Glycine 1 C--N 1.254 -4.003 0 CA-C-N 113.139 -1.846 . . . . 52.439999999999998 109.697 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.4 p -77.61 -30.59 52.44 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.97 0.891 . . . . 62.130000000000003 109.415 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.701 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -152.6 170.13 20.96 Favored 'General case' 0 N--CA 1.402 -2.843 0 N-CA-C 104.064 -2.569 . . . . 64.450000000000003 104.064 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -88.95 -51.86 2.91 Favored Glycine 0 C--N 1.271 -3.08 0 N-CA-C 110.55 -1.02 . . . . 62.340000000000003 110.55 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 676' ' ' ILE . 6.2 mp -106.59 -36.3 6.79 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.612 -0.884 . . . . 74.200000000000003 108.612 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.596 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.17 49.12 3.37 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 109.924 -1.27 . . . . 65.329999999999998 109.924 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 11.7 t -134.81 152.32 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 N-CA-C 106.899 -1.519 . . . . 62.439999999999998 106.899 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 44.9 m -113.09 134.15 54.67 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.219 -1.03 . . . . 71.420000000000002 108.219 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' A' ' 621' ' ' VAL . 2.4 m -124.63 163.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 CA-C-N 116.026 -0.534 . . . . 71.340000000000003 111.51 177.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 152.55 34.45 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 115.154 -0.93 . . . . 60.119999999999997 109.324 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.38 137.72 13.86 Favored Glycine 0 C--N 1.28 -2.556 0 C-N-CA 119.456 -1.354 . . . . 60.240000000000002 111.836 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.445 HD21 ' HB2' ' B' ' 778' ' ' PRO . 11.8 m120 -113.53 145.46 41.18 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 109.099 -0.704 . . . . 74.319999999999993 109.099 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 24.7 ttt85 -133.17 133.84 43.34 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.57 -0.53 . . . . 74.420000000000002 109.57 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.469 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 5.0 m -65.56 117.19 7.68 Favored 'General case' 0 N--CA 1.423 -1.794 0 O-C-N 123.787 0.68 . . . . 75.239999999999995 109.423 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.11 -42.34 99.54 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 122.81 0.444 . . . . 73.400000000000006 111.533 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -89.71 -33.84 16.45 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.441 0.639 . . . . 72.030000000000001 110.657 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 9.7 t-20 -89.73 -29.04 18.99 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 114.5 1.296 . . . . 73.140000000000001 114.5 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 61.84 9.7 3.09 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 115.412 1.634 . . . . 75.109999999999999 115.412 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . 0.42 ' HB2' ' OD1' ' A' ' 613' ' ' ASN . . . -97.54 5.77 49.07 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.478 -0.764 . . . . 73.25 111.126 -176.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 9.0 m-20 69.48 152.93 0.1 Allowed 'General case' 0 N--CA 1.435 -1.205 0 C-N-CA 125.343 1.457 . . . . 61.310000000000002 109.802 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 96.3 mt -99.56 -10.58 21.89 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 107.529 -1.286 . . . . 74.450000000000003 107.529 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 97.69 -164.52 21.93 Favored Glycine 0 CA--C 1.523 0.534 0 CA-C-N 114.648 -1.16 . . . . 43.509999999999998 112.375 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . 0.41 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 45.8 mm -105.26 129.07 58.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.746 -0.835 . . . . 74.109999999999999 108.746 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.502 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.5 m-85 -123.73 149.85 45.06 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 122.344 0.258 . . . . 72.140000000000001 110.783 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.45 ' HA ' HG11 ' A' ' 605' ' ' VAL . 92.6 t -67.49 136.26 26.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.404 0.621 . . . . 73.239999999999995 110.487 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -106.37 -45.53 4.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 111.228 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 33.4 t -148.52 142.33 25.68 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 109.67 -0.493 . . . . 63.350000000000001 109.67 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.64 131.58 40.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.316 -0.994 . . . . 63.219999999999999 108.316 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.596 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 72.0 mt -93.55 123.47 45.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 110.04 -0.356 . . . . 75.219999999999999 110.04 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.15 132.16 45.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.671 -0.863 . . . . 65.129999999999995 108.671 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 91.82 42.88 4.63 Favored Glycine 0 C--N 1.297 -1.597 0 C-N-CA 120.247 -0.977 . . . . 75.239999999999995 110.97 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -139.87 140.27 10.58 Favored Glycine 0 N--CA 1.431 -1.662 0 N-CA-C 110.18 -1.168 . . . . 71.329999999999998 110.18 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.06 -30.26 71.34 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.374 0.509 . . . . 72.519999999999996 112.374 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.87 69.29 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.551 0.691 . . . . 73.420000000000002 109.694 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 19.2 m -73.59 -47.09 43.07 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 114.228 -1.351 . . . . 64.329999999999998 109.783 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -75.92 -52.54 10.07 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 114.186 1.18 . . . . 72.519999999999996 114.186 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -79.0 -52.76 7.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.226 0.824 . . . . 74.409999999999997 113.226 -170.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.74 -42.44 5.72 Favored Glycine 0 CA--C 1.495 -1.164 0 C-N-CA 120.103 -1.046 . . . . 54.439999999999998 111.968 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.402 ' HE ' ' HB2' ' A' ' 635' ' ' ARG . 60.8 mtm180 71.57 95.43 0.07 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 122.429 1.109 . . . . 72.030000000000001 111.453 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 90.4 mt -88.43 179.66 6.27 Favored 'General case' 0 C--N 1.268 -2.974 0 CA-C-N 113.634 -1.621 . . . . 74.510000000000005 109.315 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.588 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 0.2 OUTLIER -136.55 176.19 8.93 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.598 -0.889 . . . . 73.140000000000001 108.598 -175.223 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.79 132.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.938 0 C-N-CA 120.466 -0.494 . . . . 72.219999999999999 109.794 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.04 23.95 2.61 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.224 1.409 . . . . 61.329999999999998 111.77 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.588 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 2.9 p30 -78.58 151.14 32.57 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 118.095 -1.442 . . . . 60.119999999999997 109.436 171.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -92.39 115.11 27.8 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 116.022 -0.536 . . . . 71.219999999999999 112.215 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.439 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.7 mp -76.57 109.52 10.38 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.673 0.749 . . . . 63.109999999999999 109.894 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.6 mm -87.19 -53.57 9.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.982 -1.008 . . . . 74.540000000000006 110.039 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -134.56 142.87 47.1 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.332 -0.849 . . . . 70.349999999999994 110.014 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.546 HG21 ' CD1' ' A' ' 662' ' ' LEU . 10.0 p -126.99 119.57 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.276 0 CA-C-O 121.986 0.898 . . . . 73.140000000000001 111.299 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.406 ' HB2' HG13 ' A' ' 676' ' ' ILE . 56.6 t30 51.35 47.74 24.28 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.002 -1.454 . . . . 74.219999999999999 110.007 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 105.35 -51.8 0.75 Allowed Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.102 -1.047 . . . . 63.420000000000002 114.836 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.503 ' OE2' HG23 ' A' ' 661' ' ' THR . 36.7 tt0 -85.34 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.573 0.687 . . . . 72.519999999999996 112.008 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 45.6 m -84.5 120.27 26.12 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.652 -0.499 . . . . 52.520000000000003 109.652 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.01 -22.6 42.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 109.835 -0.431 . . . . 72.200000000000003 109.835 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.15 93.03 0.57 Allowed 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.603 -1.258 . . . . 64.150000000000006 107.603 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 161.75 -36.39 0.38 Allowed Glycine 0 C--N 1.301 -1.386 0 N-CA-C 110.375 -1.09 . . . . 55.340000000000003 110.375 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.29 156.04 18.24 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 110.301 -0.259 . . . . 73.109999999999999 110.301 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.28 168.6 5.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.912 0.485 . . . . 52.340000000000003 111.442 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.573 ' O ' ' HG3' ' A' ' 659' ' ' MET . 12.7 m120 -52.93 -49.95 64.99 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 112.075 0.398 . . . . 63.530000000000001 112.075 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.586 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -63.88 -42.46 97.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.819 0.342 . . . . 74.450000000000003 110.686 -175.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.11 -45.88 91.51 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.568 -0.742 . . . . 74.200000000000003 109.611 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.03 99.8 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.21 -0.905 . . . . 70.129999999999995 111.496 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.576 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 84.7 mtp -70.54 -37.08 74.02 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.524 -0.307 . . . . 71.430000000000007 110.95 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 16.1 mm-40 -65.59 -41.38 92.88 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 120.854 0.359 . . . . 75.040000000000006 110.692 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' THR . . . . . 0.503 HG23 ' OE2' ' A' ' 648' ' ' GLU . 54.7 m -65.6 -43.46 89.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.792 -0.64 . . . . 72.310000000000002 109.53 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.595 ' O ' ' HG3' ' A' ' 666' ' ' MET . 56.7 tp -53.74 -55.5 25.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.922 -1.035 . . . . 73.239999999999995 111.037 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 659' ' ' MET . 43.6 mtm105 -54.84 -44.82 74.28 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.607 0.567 . . . . 70.099999999999994 110.861 -177.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -68.97 -51.29 41.01 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.841 -0.618 . . . . 74.430000000000007 111.58 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 36.7 m -77.53 -28.8 52.06 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 113.576 0.954 . . . . 71.239999999999995 113.576 -170.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 3.1 ppp? -76.2 -24.39 54.68 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.066 -1.054 . . . . 75.150000000000006 110.174 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.2 t -92.32 -56.86 2.89 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.598 -0.728 . . . . 72.540000000000006 109.777 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 52.6 m -71.21 -60.33 2.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.166 -0.47 . . . . 71.329999999999998 111.635 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -71.83 -27.75 63.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 120.95 0.405 . . . . 73.310000000000002 110.923 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -61.24 -54.28 37.66 Favored Glycine 0 CA--C 1.507 -0.443 0 N-CA-C 111.31 -0.716 . . . . 43.340000000000003 111.31 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.46 -19.51 64.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.169 0.509 . . . . 73.450000000000003 111.078 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.09 -53.17 10.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.144 -0.48 . . . . 62.219999999999999 110.558 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -69.16 -32.19 71.37 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.026 -0.534 . . . . 71.049999999999997 110.93 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 105.39 -36.88 4.11 Favored Glycine 0 C--N 1.309 -0.935 0 N-CA-C 110.1 -1.2 . . . . 65.219999999999999 110.1 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -136.58 154.17 50.76 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.849 -0.797 . . . . 72.209999999999994 108.849 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 601' ' ' LEU . 8.7 tt -111.05 135.09 51.26 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 115.282 -0.872 . . . . 70.030000000000001 110.629 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -104.44 115.78 30.97 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.557 -0.747 . . . . 72.140000000000001 111.793 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.1 mm? -110.96 128.9 55.99 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 109.479 -0.563 . . . . 74.140000000000001 109.479 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.0 118.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.974 -1.491 . . . . 73.439999999999998 106.974 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.36 153.04 26.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 N-CA-C 109.194 -0.669 . . . . 75.340000000000003 109.194 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -110.66 124.8 52.62 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 109.06 -0.719 . . . . 71.310000000000002 109.06 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -113.81 125.49 54.15 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 108.264 -1.013 . . . . 65.120000000000005 108.264 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . 0.456 ' HD3' ' H ' ' A' ' 683' ' ' ARG 0.283 0.0 OUTLIER -87.8 130.59 34.81 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 117.556 -1.658 . . . . 75.239999999999995 109.715 174.569 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.29 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 CA-C-O 121.593 0.711 . . . . 64.200000000000003 109.258 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 13.2 m -64.92 107.71 1.56 Allowed 'General case' 0 N--CA 1.426 -1.642 0 N-CA-C 106.657 -1.608 . . . . 73.530000000000001 106.657 172.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.21 118.11 6.96 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.364 0.602 . . . . 75.5 112.052 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 13.4 p -91.05 136.68 32.92 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-N 115.068 -0.969 . . . . 71.140000000000001 109.021 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -150.23 135.69 18.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.841 -0.429 . . . . 72.209999999999994 109.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--N 1.309 -1.195 0 CA-C-N 116.383 -0.371 . . . . 73.150000000000006 110.641 179.036 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.302 0.572 . . . . 65.120000000000005 110.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . 0.463 HD12 ' O ' ' B' ' 770' ' ' LEU . 3.2 pp -93.55 136.98 33.29 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.77 -0.65 . . . . 73.519999999999996 111.068 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -169.39 94.81 0.3 Allowed 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.801 -0.636 . . . . 73.510000000000005 109.614 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.03 125.42 24.87 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.904 -0.589 . . . . 72.129999999999995 110.33 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -136.13 165.58 25.39 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 116.019 -0.537 . . . . 65.420000000000002 109.931 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -138.8 17.81 2.67 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.334 0.588 . . . . 74.129999999999995 111.331 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 113.49 -125.87 7.16 Favored Glycine 0 N--CA 1.429 -1.797 0 CA-C-N 115.559 -0.746 . . . . 70.140000000000001 111.713 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 47.1 m -61.44 104.3 0.4 Allowed 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 123.283 0.633 . . . . 75.420000000000002 109.478 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -67.9 113.88 17.2 Favored Pre-proline 0 C--N 1.301 -1.529 0 CA-C-N 114.524 -1.216 . . . . 64.140000000000001 111.464 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . 0.445 ' HB2' HD21 ' A' ' 608' ' ' ASN . 56.0 Cg_endo -100.69 38.65 0.07 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.878 0 C-N-CA 123.236 2.624 . . . . 75.109999999999999 108.306 173.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -94.49 12.71 26.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.865 -1.062 . . . . 70.519999999999996 110.804 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.76 104.96 7.54 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.936 0.398 . . . . 73.510000000000005 110.351 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -107.78 145.5 33.47 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.224 -0.898 . . . . 74.530000000000001 110.524 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . 0.425 ' HB2' ' CE ' ' A' ' 659' ' ' MET . 3.1 tm? -146.65 132.05 18.6 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 107.898 -1.149 . . . . 61.229999999999997 107.898 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . 0.414 ' N ' HD13 ' B' ' 783' ' ' ILE . 1.9 mp -105.04 132.06 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 109.048 -0.723 . . . . 71.319999999999993 109.048 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.564 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 18.9 pt . . . . . 0 N--CA 1.411 -2.391 0 CA-C-O 117.488 -1.244 . . . . 64.430000000000007 111.15 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.824 0 N-CA-C 111.262 -0.735 . . . . 65.099999999999994 111.262 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' SER . . . . . 0.565 ' O ' ' HB ' ' A' ' 583' ' ' THR . 50.8 m -138.37 135.86 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.722 -0.844 . . . . 74.450000000000003 108.722 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.74 148.21 44.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.125 -0.694 . . . . 64.209999999999994 109.125 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 76.75 29.95 56.8 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 108.145 -1.982 . . . . 65.540000000000006 108.145 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' THR . . . . . 0.565 ' HB ' ' O ' ' A' ' 580' ' ' SER . 12.5 t -63.07 134.92 56.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.085 0.945 . . . . 73.420000000000002 112.815 -172.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -102.99 144.48 31.2 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.524 -1.216 . . . . 72.209999999999994 108.955 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 15.2 pt-20 -123.41 160.42 26.87 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.745 -0.835 . . . . 73.540000000000006 108.745 178.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -106.27 127.71 53.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 120.717 0.294 . . . . 74.5 110.648 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.57 143.78 37.13 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.379 -0.971 . . . . 72.099999999999994 108.379 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 50.2 m -111.22 122.85 48.93 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 116.101 -0.499 . . . . 74.349999999999994 109.839 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.46 119.69 35.3 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.243 -0.651 . . . . 64.340000000000003 109.243 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -108.5 116.03 31.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.268 -0.642 . . . . 74.329999999999998 109.268 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.408 ' HB ' HG21 ' A' ' 676' ' ' ILE . 66.2 t -105.67 116.86 59.27 Favored Pre-proline 0 C--N 1.28 -2.448 0 CA-C-N 115.2 -0.909 . . . . 65.329999999999998 109.154 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.65 148.69 47.65 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.61 1.54 . . . . 72.099999999999994 109.895 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 71.44 3.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.027 0.918 . . . . 62.130000000000003 111.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' A' ' 629' ' ' ALA . 2.3 m-20 -123.77 129.39 50.99 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.207 -1.361 . . . . 64.319999999999993 108.253 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 63.29 22.39 13.29 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.866 0.841 . . . . 71.329999999999998 109.88 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.8 m -102.24 114.01 27.79 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-N 114.488 -1.233 . . . . 70.040000000000006 108.371 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 175.45 -46.57 0.13 Allowed Glycine 0 C--N 1.278 -2.654 0 N-CA-C 108.943 -1.663 . . . . 74.430000000000007 108.943 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.4 m -74.33 -29.68 61.71 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.861 0.839 . . . . 72.150000000000006 109.481 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -143.75 148.64 35.93 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 104.209 -2.515 . . . . 73.430000000000007 104.209 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -71.16 -56.78 6.67 Favored Glycine 0 C--N 1.282 -2.46 0 N-CA-C 110.528 -1.029 . . . . 65.0 110.528 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 676' ' ' ILE . 15.3 mt -115.87 -33.06 5.24 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.547 -1.279 . . . . 74.519999999999996 107.547 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.61 49.22 3.47 Favored Glycine 0 N--CA 1.4 -3.755 0 N-CA-C 109.25 -1.54 . . . . 70.430000000000007 109.25 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.0 t -139.23 153.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 106.381 -1.711 . . . . 60.299999999999997 106.381 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.0 m -113.42 135.42 53.89 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.067 -1.086 . . . . 75.340000000000003 108.067 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.403 HG12 ' CD2' ' A' ' 642' ' ' LEU . 3.0 m -124.53 162.3 26.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 121.108 0.48 . . . . 65.230000000000004 111.553 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' B' ' 780' ' ' GLU . 64.5 pttt -148.99 154.24 39.08 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 115.204 -0.907 . . . . 74.530000000000001 108.821 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.72 128.88 9.62 Favored Glycine 0 N--CA 1.411 -2.994 0 C-N-CA 119.343 -1.408 . . . . 73.239999999999995 111.585 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 620' ' ' PHE . 4.4 m-20 -99.72 121.65 41.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.775 -1.194 . . . . 61.329999999999998 107.775 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.529 ' HD3' ' OD2' ' A' ' 616' ' ' ASP . 35.6 ttp180 -129.45 148.83 51.4 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 109.745 -0.465 . . . . 74.140000000000001 109.745 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.553 ' HB3' ' OE2' ' A' ' 612' ' ' GLU . 51.3 m -114.92 96.52 5.75 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.574 -0.739 . . . . 64.329999999999998 110.728 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -44.17 73.88 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.01 1.324 . . . . 75.239999999999995 109.923 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . 0.553 ' OE2' ' HB3' ' A' ' 610' ' ' SER . 0.0 OUTLIER -64.5 -21.95 66.82 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.985 1.105 . . . . 64.109999999999999 113.985 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -105.43 -7.01 19.01 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.799 0.809 . . . . 73.25 108.913 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 62.04 20.82 11.9 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.546 1.538 . . . . 74.099999999999994 111.201 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -123.07 138.0 54.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.898 -0.501 . . . . 75.299999999999997 110.659 -175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.529 ' OD2' ' HD3' ' A' ' 609' ' ' ARG . 2.0 m-20 -81.12 138.46 35.91 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 105.554 -2.017 . . . . 64.340000000000003 105.554 175.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.5 mt -87.98 -14.76 38.29 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.239 -1.023 . . . . 71.420000000000002 108.239 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 119.8 -171.24 14.37 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.697 -1.138 . . . . 75.25 112.572 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.19 128.16 55.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.418 -0.956 . . . . 72.430000000000007 108.418 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.576 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 80.6 m-85 -122.51 142.17 50.88 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 123.292 0.37 . . . . 65.510000000000005 110.448 -177.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.4 132.94 29.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-O 121.375 0.607 . . . . 71.510000000000005 110.742 174.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.466 ' HZ3' ' HB2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -106.49 -40.28 5.62 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 116.332 -0.394 . . . . 72.219999999999999 111.238 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 143.48 25.73 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.218 -0.66 . . . . 74.109999999999999 109.218 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.17 133.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.596 -0.89 . . . . 72.340000000000003 108.596 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -97.55 111.95 28.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.968 -0.753 . . . . 71.239999999999995 108.968 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -75.0 113.8 12.74 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.547 -0.751 . . . . 75.030000000000001 109.458 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.93 -26.18 2.51 Favored Glycine 0 N--CA 1.429 -1.801 0 N-CA-C 109.987 -1.245 . . . . 53.020000000000003 109.987 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 158.49 34.97 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.974 -0.632 . . . . 55.140000000000001 111.623 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 594' ' ' ASN . . . -63.4 -32.19 73.55 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 111.867 0.321 . . . . 55.32 111.867 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.38 -30.0 69.68 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 121.027 0.442 . . . . 53.210000000000001 110.053 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.575 ' O ' ' HB2' ' A' ' 635' ' ' ARG . 42.3 t -78.86 -48.96 13.7 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.101 -0.954 . . . . 72.319999999999993 110.196 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.648 ' HE2' ' O ' ' A' ' 632' ' ' LYS . 0.0 OUTLIER -65.33 -52.38 54.29 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.856 -0.611 . . . . 74.230000000000004 110.354 -176.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -79.44 -53.96 6.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.196 1.184 . . . . 72.349999999999994 114.196 -170.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -101.75 -44.13 2.0 Allowed Glycine 0 C--O 1.229 -0.197 0 C-N-CA 119.273 -1.442 . . . . 37.170000000000002 114.252 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' A' ' 631' ' ' SER . 32.6 ttm180 55.84 96.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.98 1.312 . . . . 62.420000000000002 112.814 -175.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . 0.556 ' HB3' ' OD2' ' A' ' 640' ' ' ASP . 6.0 mp -77.58 -167.72 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.237 -1.347 . . . . 73.400000000000006 110.456 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.602 ' NE ' ' HB3' ' A' ' 640' ' ' ASP . 5.0 ppt_? -131.0 148.29 52.73 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.449 0.642 . . . . 74.400000000000006 112.167 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.7 t -61.66 131.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.635 -0.711 . . . . 72.109999999999999 109.262 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 83.37 11.74 0.45 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.394 1.477 . . . . 65.409999999999997 112.59 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.602 ' HB3' ' NE ' ' A' ' 637' ' ' ARG 0.29 2.9 p30 -74.29 142.41 45.23 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 117.098 -1.841 . . . . 62.119999999999997 111.713 174.678 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.77 113.9 24.82 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.658 -0.701 . . . . 74.510000000000005 112.227 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.7 mp -73.83 109.59 7.46 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.589 0.709 . . . . 73.420000000000002 110.396 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.425 HG23 HD11 ' A' ' 651' ' ' LEU . 47.4 mm -89.89 -55.42 6.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.133 -0.939 . . . . 63.530000000000001 110.76 -175.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -139.4 145.44 38.93 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.995 -1.002 . . . . 73.140000000000001 110.655 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.427 HG22 ' CD1' ' A' ' 678' ' ' LEU . 14.0 p -126.2 127.87 71.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 72.040000000000006 108.366 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.41 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.5 m-20 51.67 34.4 12.73 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.756 0.789 . . . . 75.409999999999997 112.371 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.55 58.61 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.907 -1.042 . . . . 73.540000000000006 113.673 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.21 125.42 35.47 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 117.751 0.775 . . . . 74.200000000000003 109.281 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.3 t -84.66 136.46 33.74 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.068 0.461 . . . . 53.0 110.244 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -130.82 17.42 5.18 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.943 0.877 . . . . 63.329999999999998 109.139 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.425 HD11 HG23 ' A' ' 643' ' ' ILE . 4.3 tt -55.47 -31.18 61.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.792 -1.549 . . . . 71.040000000000006 111.291 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -110.14 14.72 30.97 Favored Glycine 0 N--CA 1.434 -1.447 0 C-N-CA 120.24 -0.981 . . . . 43.399999999999999 114.335 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -109.95 163.7 13.31 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.798 -1.161 . . . . 63.32 110.599 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.74 152.96 37.82 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.42 0.45 . . . . 52.32 111.309 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.424 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 13.6 m120 -55.0 -42.39 72.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.537 0.569 . . . . 70.409999999999997 112.537 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.29 -44.58 94.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.06 0.457 . . . . 70.409999999999997 110.123 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.25 -38.33 90.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.331 -0.85 . . . . 72.409999999999997 109.615 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -63.1 -44.01 96.87 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.645 -1.161 . . . . 37.170000000000002 111.102 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 mmt -58.4 -45.77 87.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.903 0.383 . . . . 70.019999999999996 110.52 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.43 -41.36 98.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.599 -0.728 . . . . 75.200000000000003 110.014 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.9 m -61.34 -48.9 79.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.962 -0.563 . . . . 74.319999999999993 110.474 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.626 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -56.81 -56.11 25.68 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 116.361 -0.381 . . . . 74.030000000000001 110.863 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.423 0.452 . . . . 74.340000000000003 111.174 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.55 -50.53 62.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.838 -0.619 . . . . 71.109999999999999 110.209 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -32.94 74.8 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 116.77 -0.195 . . . . 72.510000000000005 111.442 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -67.86 -41.69 82.5 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.07 0.462 . . . . 73.439999999999998 110.441 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 27.5 t -80.8 -48.53 12.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.569 -0.741 . . . . 75.209999999999994 110.891 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 64.6 m -76.52 -53.68 7.75 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.202 0.525 . . . . 73.310000000000002 112.144 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.56 -40.07 11.55 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.133 -0.485 . . . . 51.43 112.126 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.98 -58.71 13.15 Favored Glycine 0 C--O 1.249 1.069 0 CA-C-N 116.022 -0.535 . . . . 61.240000000000002 112.193 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -81.05 69.43 7.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.74 0.781 . . . . 73.420000000000002 109.989 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -174.67 -53.51 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 113.885 -1.507 . . . . 71.219999999999999 107.669 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -67.98 -21.85 65.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.328 -0.851 . . . . 73.120000000000005 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.73 -30.32 9.08 Favored Glycine 0 CA--C 1.5 -0.868 0 N-CA-C 110.774 -0.931 . . . . 64.530000000000001 110.774 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.8 ptp -143.93 155.42 44.05 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.257 -1.016 . . . . 61.219999999999999 108.257 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.447 HG23 HD22 ' A' ' 601' ' ' LEU . 7.3 tt -110.28 133.44 55.66 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 CA-C-N 115.7 -0.682 . . . . 74.409999999999997 109.342 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -101.91 126.0 48.72 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 115.362 -0.836 . . . . 65.409999999999997 110.237 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.2 mm? -119.38 123.79 45.0 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.629 -0.878 . . . . 63.409999999999997 108.629 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.25 117.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 106.911 -1.515 . . . . 73.129999999999995 106.911 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.28 152.91 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 110.027 -0.36 . . . . 72.209999999999994 110.027 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -113.26 146.67 38.97 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.283 0.564 . . . . 64.340000000000003 112.042 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.416 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 19.8 ptt180 -139.41 155.71 47.44 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.216 -0.902 . . . . 70.230000000000004 108.609 173.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . 0.588 ' O ' ' HG3' ' A' ' 686' ' ' ARG . 63.1 mtt180 -92.31 125.98 37.2 Favored 'General case' 0 C--N 1.285 -2.216 0 CA-C-O 121.072 0.463 . . . . 72.219999999999999 110.198 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.26 -17.74 21.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 CA-C-O 122.435 1.112 . . . . 75.030000000000001 108.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 13.6 m -83.55 4.59 27.46 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.962 -1.472 . . . . 72.200000000000003 112.27 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 683' ' ' ARG 0.272 0.1 OUTLIER -90.69 130.78 36.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 118.613 -1.235 . . . . 72.439999999999998 113.137 179.751 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 48.2 t -123.52 84.47 2.28 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.079 -1.452 . . . . 73.400000000000006 107.079 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -173.02 140.79 0.92 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.506 -0.77 . . . . 72.519999999999996 109.248 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.306 -1.305 0 N-CA-C 109.785 -0.45 . . . . 73.209999999999994 109.785 177.3 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 CA--C 1.509 -0.627 0 N-CA-C 109.68 -0.489 . . . . 75.129999999999995 109.68 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 98.9 mt -128.51 146.0 50.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 120.876 0.37 . . . . 73.209999999999994 110.498 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -111.96 -63.83 1.37 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.541 -1.281 . . . . 72.129999999999995 107.541 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 58.26 91.07 0.04 OUTLIER 'General case' 0 C--O 1.246 0.874 0 C-N-CA 125.156 1.383 . . . . 61.119999999999997 112.119 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.2 mp 62.37 98.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.367 -1.288 . . . . 75.299999999999997 111.585 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -115.99 -67.86 0.96 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.799 -1.185 . . . . 64.209999999999994 107.799 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -163.54 96.74 0.14 Allowed Glycine 0 N--CA 1.406 -3.305 0 CA-C-N 115.15 -0.932 . . . . 73.230000000000004 111.977 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 44.6 m -130.96 -176.52 4.03 Favored 'General case' 0 N--CA 1.408 -2.568 0 N-CA-C 105.772 -1.936 . . . . 61.409999999999997 105.772 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -116.02 125.46 28.59 Favored Pre-proline 0 C--N 1.278 -2.507 0 C-N-CA 120.632 -0.427 . . . . 62.520000000000003 111.412 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.16 -18.04 45.33 Favored 'Trans proline' 0 CA--C 1.512 -0.62 0 C-N-CA 123.589 2.859 . . . . 65.420000000000002 113.824 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 66.4 93.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.105 0.878 . . . . 61.25 110.759 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 0.6 OUTLIER -79.63 127.35 32.06 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.506 0.67 . . . . 74.310000000000002 110.559 176.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.4 mt-10 -117.39 132.33 56.6 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 114.422 -1.263 . . . . 72.120000000000005 110.226 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.29 131.36 38.32 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 115.455 -0.793 . . . . 73.420000000000002 110.426 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.63 125.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.12 -1.067 . . . . 64.040000000000006 108.12 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.445 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 14.1 pt . . . . . 0 N--CA 1.413 -2.32 0 CA-C-O 117.98 -1.01 . . . . 72.340000000000003 108.486 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.053 0 N-CA-C 110.643 -0.983 . . . . 71.400000000000006 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.6 m 64.66 29.8 12.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.801 0.81 . . . . 72.439999999999998 110.625 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.43 -22.75 58.99 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.738 -1.119 . . . . 73.439999999999998 110.123 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -84.67 24.85 6.19 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.475 -0.784 . . . . 61.509999999999998 113.466 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 27.9 m -81.56 -59.24 2.68 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.61 -1.255 . . . . 75.439999999999998 107.61 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -139.57 147.44 41.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.87 -1.159 . . . . 71.109999999999999 107.87 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -134.81 157.54 46.51 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 121.103 0.477 . . . . 53.140000000000001 111.151 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.29 122.5 36.9 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.233 -0.894 . . . . 75.430000000000007 110.788 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 8.0 mp -109.77 144.0 38.81 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 116.032 -0.531 . . . . 73.099999999999994 109.571 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.9 m -111.01 121.31 45.04 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 121.432 0.634 . . . . 62.149999999999999 109.552 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . 0.451 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 50.0 m-85 -117.2 119.88 36.56 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 108.558 -0.905 . . . . 70.230000000000004 108.558 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.41 121.84 46.26 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.345 0.593 . . . . 74.299999999999997 110.273 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 85.5 t -114.58 117.84 42.07 Favored Pre-proline 0 C--N 1.285 -2.204 0 CA-C-N 114.782 -1.099 . . . . 75.340000000000003 109.894 -172.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.73 148.56 25.74 Favored 'Trans proline' 0 N--CA 1.442 -1.534 0 C-N-CA 121.57 1.513 . . . . 71.549999999999997 111.354 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.23 84.1 1.37 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.199 -1.037 . . . . 74.420000000000002 108.199 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -105.54 -75.91 0.62 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.544 -1.207 . . . . 71.420000000000002 111.166 -177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.09 31.51 3.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.111 -1.44 . . . . 62.329999999999998 107.111 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 42.9 m -71.02 9.69 0.67 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.496 -1.229 . . . . 65.310000000000002 113.947 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.41 39.48 Favored Glycine 0 N--CA 1.426 -1.976 0 N-CA-C 111.384 -0.686 . . . . 61.32 111.384 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 56.3 p -82.62 -37.37 25.07 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.199 0.999 . . . . 63.450000000000003 109.757 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.589 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -165.54 152.29 10.1 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 103.863 -2.643 . . . . 52.039999999999999 103.863 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.18 -54.61 31.53 Favored Glycine 0 C--N 1.294 -1.799 0 N-CA-C 111.391 -0.683 . . . . 37.369999999999997 111.391 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.523 ' CD1' ' HE2' ' A' ' 666' ' ' MET . 7.3 mp -115.01 -33.52 5.38 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 108.752 -0.833 . . . . 73.329999999999998 108.752 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 88.0 46.4 4.79 Favored Glycine 1 N--CA 1.395 -4.09 0 N-CA-C 109.269 -1.533 . . . . 43.229999999999997 109.269 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.41 151.71 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.973 0 N-CA-C 106.531 -1.655 . . . . 74.450000000000003 106.531 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 22.9 m -114.79 133.83 55.61 Favored 'General case' 0 N--CA 1.397 -3.091 0 N-CA-C 107.174 -1.417 . . . . 74.439999999999998 107.174 171.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.458 HG12 ' CD2' ' A' ' 642' ' ' LEU . 3.5 m -124.88 159.86 30.88 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.669 0 CA-C-N 115.887 -0.597 . . . . 75.439999999999998 111.247 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -148.61 152.79 37.37 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.597 -0.728 . . . . 74.310000000000002 109.53 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.0 128.45 8.41 Favored Glycine 0 C--N 1.284 -2.325 0 C-N-CA 119.248 -1.454 . . . . 44.229999999999997 113.369 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.04 139.4 39.78 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.632 -0.877 . . . . 75.439999999999998 108.632 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.481 ' HB3' ' OD1' ' A' ' 655' ' ' ASN . 18.2 ptt-85 -135.41 162.25 33.15 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 109.614 -0.513 . . . . 73.430000000000007 109.614 175.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.512 ' CB ' ' HB2' ' A' ' 614' ' ' HIS . 66.5 m -73.02 135.78 44.96 Favored 'General case' 0 C--N 1.27 -2.887 0 N-CA-C 108.834 -0.802 . . . . 72.049999999999997 108.834 172.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.597 ' O ' ' HD2' ' A' ' 614' ' ' HIS 0.423 3.1 mppt? -37.65 119.94 0.77 Allowed 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 117.426 2.38 . . . . 73.129999999999995 117.426 -165.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 75.48 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 112.491 -2.141 . . . . 72.219999999999999 107.31 -175.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -168.05 72.3 0.1 Allowed 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.57 0.7 . . . . 63.229999999999997 110.697 171.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.597 ' HD2' ' O ' ' A' ' 611' ' ' LYS . 18.0 m-70 -79.97 -34.95 38.26 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.651 -1.241 . . . . 64.299999999999997 107.651 169.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . 174.15 155.64 0.13 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.147 -1.797 . . . . 75.200000000000003 106.147 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.19 149.55 23.81 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 108.243 -1.021 . . . . 72.219999999999999 108.243 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.06 -1.15 37.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.483 -0.932 . . . . 74.209999999999994 108.483 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 95.34 -172.99 30.92 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.249 -1.341 . . . . 63.450000000000003 113.11 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.49 135.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.391 -0.966 . . . . 75.239999999999995 108.391 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -126.22 145.51 50.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.9 -0.408 . . . . 74.109999999999999 109.9 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.81 133.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 109.763 -0.458 . . . . 74.230000000000004 109.763 173.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -42.58 4.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.05 0.452 . . . . 61.549999999999997 111.422 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 17.7 p -149.71 139.95 22.21 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.069 -0.514 . . . . 42.299999999999997 111.486 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.1 130.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.985 -0.746 . . . . 62.409999999999997 108.985 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.96 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 107.861 -1.163 . . . . 72.310000000000002 107.861 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -65.72 118.75 10.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.517 -0.765 . . . . 74.120000000000005 111.37 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.46 -15.1 22.55 Favored Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.175 -1.012 . . . . 70.400000000000006 112.213 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -69.31 165.39 49.53 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 111.227 -0.749 . . . . 61.329999999999998 111.227 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.62 89.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 122.557 -0.378 . . . . 73.019999999999996 111.334 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.89 -25.94 63.01 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.332 0.587 . . . . 74.230000000000004 109.819 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 45.8 t -71.53 -49.08 44.34 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 115.002 -0.999 . . . . 42.210000000000001 109.616 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -75.0 -52.88 10.0 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.247 0.462 . . . . 75.0 112.247 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.35 -52.38 7.75 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.552 0.575 . . . . 74.120000000000005 112.552 -176.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.74 41.71 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 120.56 -0.829 . . . . 63.140000000000001 113.383 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 58.13 36.67 26.07 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.142 0.496 . . . . 73.439999999999998 111.844 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 5.0 mp -64.09 175.74 1.17 Allowed 'General case' 0 C--O 1.256 1.446 0 CA-C-O 121.926 0.869 . . . . 64.219999999999999 111.994 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.527 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 15.9 ptt180 -115.97 169.31 9.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.013 -0.994 . . . . 71.120000000000005 109.615 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.43 146.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 106.527 -1.657 . . . . 72.439999999999998 106.527 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 84.09 -0.86 1.02 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 113.848 1.055 . . . . 71.239999999999995 113.848 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.527 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 12.7 m-20 -63.3 128.21 34.82 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 118.747 -1.181 . . . . 62.420000000000002 109.978 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.59 115.36 26.05 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.772 -0.825 . . . . 75.140000000000001 108.772 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.1 mp -72.98 117.24 14.47 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.709 0.804 . . . . 74.340000000000003 112.145 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.3 mm -97.73 -56.08 5.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.05 -0.977 . . . . 72.319999999999993 110.953 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.405 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.68 154.17 48.59 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.265 -0.88 . . . . 75.420000000000002 110.237 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.437 HG13 HD12 ' A' ' 650' ' ' LEU . 8.0 p -139.05 139.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.628 0 N-CA-C 109.007 -0.738 . . . . 74.310000000000002 109.007 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 17.5 m120 57.56 18.95 4.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.13 0.972 . . . . 71.239999999999995 112.407 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.05 6.91 62.89 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.738 -0.744 . . . . 42.32 112.765 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -118.85 133.25 55.96 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.795 -0.446 . . . . 72.519999999999996 109.795 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 59.6 m -88.95 137.02 32.69 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.907 0.706 . . . . 73.120000000000005 112.907 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 6.5 mp -109.28 -13.14 14.69 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 115.396 -0.82 . . . . 72.409999999999997 110.732 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.74 99.89 0.05 OUTLIER 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.044 0.84 . . . . 73.319999999999993 110.672 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 143.21 -25.57 2.19 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 115.4 -0.818 . . . . 50.310000000000002 111.606 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 18.1 ptpt -97.18 157.84 15.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.625 -0.43 . . . . 74.120000000000005 110.168 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.78 168.05 3.28 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.513 0.56 . . . . 74.209999999999994 112.513 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.481 ' OD1' ' HB3' ' A' ' 609' ' ' ARG . 13.3 m120 -60.49 -47.2 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.994 0.518 . . . . 60.049999999999997 111.608 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.8 -33.35 70.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.322 -0.399 . . . . 73.209999999999994 110.607 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.26 -40.57 97.78 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 109.394 -0.595 . . . . 74.129999999999995 109.394 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -60.5 -44.56 95.85 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.082 -0.963 . . . . 62.109999999999999 110.203 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.1 mtt -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.595 -0.275 . . . . 74.450000000000003 111.363 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.14 -33.62 75.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.322 0.649 . . . . 72.239999999999995 109.903 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 42.6 m -74.97 -51.09 14.55 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.549 -0.75 . . . . 63.210000000000001 109.703 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.636 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.0 mt -50.96 -55.7 15.98 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.581 0.752 . . . . 73.030000000000001 111.951 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -55.15 -37.78 67.4 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.282 0.563 . . . . 74.209999999999994 110.755 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -76.16 -46.84 26.59 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.255 -0.884 . . . . 75.430000000000007 111.338 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 49.9 m -60.85 -35.98 77.96 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 120.706 0.289 . . . . 75.450000000000003 111.073 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.405 0.621 . . . . 75.030000000000001 110.575 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 30.4 t -87.39 -48.9 7.6 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.476 -0.783 . . . . 60.420000000000002 110.758 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.1 m -73.61 -46.92 44.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.425 -0.352 . . . . 74.219999999999999 111.589 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.71 -45.86 7.84 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 112.079 0.4 . . . . 71.430000000000007 112.079 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -54.99 -61.86 6.91 Favored Glycine 0 C--O 1.249 1.05 0 O-C-N 123.545 0.528 . . . . 71.400000000000006 112.758 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.84 78.58 9.86 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.654 -0.818 . . . . 74.329999999999998 109.04 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 55.8 tptt 175.62 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.586 1.554 . . . . 75.299999999999997 107.885 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -95.62 -2.56 47.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.497 -0.774 . . . . 63.409999999999997 112.484 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.12 -37.23 3.12 Favored Glycine 0 C--N 1.316 -0.576 0 C-N-CA 121.071 -0.585 . . . . 65.329999999999998 113.12 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -137.72 156.26 48.19 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.974 0.416 . . . . 64.420000000000002 110.759 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.473 HD13 HD11 ' A' ' 601' ' ' LEU . 9.3 tt -111.14 133.77 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.154 0 CA-C-N 115.055 -0.975 . . . . 64.099999999999994 109.299 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -102.8 128.38 49.58 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.856 -0.611 . . . . 74.430000000000007 110.471 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.477 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.6 mm? -116.95 128.42 55.18 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.407 -0.59 . . . . 70.540000000000006 109.407 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 95.8 mt -114.98 118.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 N-CA-C 107.984 -1.117 . . . . 62.130000000000003 107.984 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.93 161.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 CA-C-N 115.3 -0.864 . . . . 65.329999999999998 109.951 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -109.22 125.79 52.62 Favored 'General case' 0 N--CA 1.41 -2.448 0 N-CA-C 107.984 -1.117 . . . . 75.140000000000001 107.984 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 -109.43 120.22 41.84 Favored 'General case' 0 N--CA 1.403 -2.817 0 CA-C-N 114.093 -1.412 . . . . 72.420000000000002 109.299 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.59 123.13 31.44 Favored 'General case' 0 N--CA 1.423 -1.776 0 N-CA-C 105.854 -1.906 . . . . 74.310000000000002 105.854 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.55 103.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 124.019 0.824 . . . . 73.540000000000006 110.74 -176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 687' ' ' CYS . 38.1 p -164.07 -68.75 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.795 -1.093 . . . . 72.150000000000006 110.384 -178.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 686' ' ' ARG . 1.4 tmt_? 71.82 -34.98 0.31 Allowed 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 125.662 1.585 . . . . 72.5 110.772 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . 0.409 ' H ' ' C ' ' A' ' 685' ' ' SER . 67.4 m -65.73 147.47 53.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.882 -0.785 . . . . 55.43 108.882 173.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -155.47 142.35 19.03 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.041 0.448 . . . . 42.100000000000001 110.528 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.309 -1.164 0 CA-C-N 116.072 -0.513 . . . . 75.439999999999998 110.226 -179.18 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 769' ' ' MET . . . . . 0.499 ' HA ' ' HE1' ' B' ' 769' ' ' MET . 6.3 mmt . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.457 -0.571 . . . . 73.299999999999997 109.457 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.11 99.0 11.06 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.613 -0.721 . . . . 73.219999999999999 109.831 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -107.29 -52.73 2.72 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.902 -0.59 . . . . 71.439999999999998 109.536 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.11 138.24 31.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.066 -0.516 . . . . 65.340000000000003 110.167 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 5.7 mp -121.96 110.24 15.59 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.275 -1.009 . . . . 64.299999999999997 108.275 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . 0.475 ' O ' ' HG2' ' A' ' 611' ' ' LYS . 72.0 t80 -108.1 -61.93 1.52 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.892 -0.781 . . . . 73.549999999999997 108.892 -176.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 150.16 161.65 10.02 Favored Glycine 0 N--CA 1.419 -2.486 0 N-CA-C 109.17 -1.572 . . . . 75.5 109.17 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 45.2 m -84.38 70.63 10.67 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.034 0.921 . . . . 71.340000000000003 112.262 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -140.67 126.8 11.64 Favored Pre-proline 0 C--N 1.305 -1.331 0 N-CA-C 106.209 -1.775 . . . . 72.209999999999994 106.209 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -93.63 -2.26 3.18 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.954 1.769 . . . . 74.129999999999995 112.969 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.21 92.12 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.904 -0.776 . . . . 63.020000000000003 108.904 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -56.67 136.78 54.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.348 -0.387 . . . . 75.120000000000005 110.959 -176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -115.98 131.35 56.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.095 0.558 . . . . 73.319999999999993 110.572 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 55.0 tp -127.17 128.33 45.96 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.452 0.701 . . . . 71.209999999999994 110.47 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.01 126.71 48.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.045 -1.094 . . . . 73.25 108.045 173.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 117.597 -1.192 . . . . 74.430000000000007 111.391 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.999 0 N-CA-C 110.398 -1.081 . . . . 64.239999999999995 110.398 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 23.4 t -154.04 174.82 14.17 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.193 -1.04 . . . . 74.109999999999999 108.193 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 37.8 t70 60.27 90.11 0.06 Allowed 'General case' 0 C--O 1.241 0.605 0 CA-C-O 122.229 1.014 . . . . 62.409999999999997 110.93 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 146.26 91.05 0.1 Allowed Glycine 0 N--CA 1.419 -2.498 0 N-CA-C 108.384 -1.886 . . . . 70.120000000000005 108.384 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 8.9 m -78.08 70.5 4.46 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 122.027 0.918 . . . . 71.519999999999996 110.866 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -146.14 150.89 36.75 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.492 -1.231 . . . . 74.0 109.363 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.94 160.17 33.53 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.978 -0.749 . . . . 54.240000000000002 108.978 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.83 129.79 51.33 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.921 -0.582 . . . . 74.109999999999999 111.073 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 91.5 mt -118.69 131.9 56.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.673 -0.694 . . . . 72.319999999999993 110.767 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 48.8 m -107.13 122.19 46.0 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-N 114.749 -1.114 . . . . 73.430000000000007 109.221 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.31 133.7 55.67 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.54 -0.755 . . . . 75.109999999999999 109.267 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.51 127.83 55.35 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 108.712 -0.847 . . . . 73.219999999999999 108.712 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 66.5 t -119.61 115.73 33.65 Favored Pre-proline 0 C--N 1.281 -2.388 0 N-CA-C 107.72 -1.215 . . . . 71.120000000000005 107.72 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 57.8 Cg_endo -76.38 144.44 25.89 Favored 'Trans proline' 0 N--CA 1.422 -2.693 0 N-CA-C 108.713 -1.303 . . . . 70.519999999999996 108.713 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 87.6 mt -79.92 83.18 5.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.964 0.888 . . . . 75.150000000000006 108.765 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -66.96 -75.05 0.1 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.707 -1.588 . . . . 72.219999999999999 109.216 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.56 -73.36 0.64 Allowed 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 106.755 -1.572 . . . . 72.200000000000003 106.755 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.623 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.3 m 63.46 6.31 2.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.54 1.311 . . . . 73.239999999999995 114.54 170.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -78.19 -44.32 11.77 Favored Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 119.694 -1.241 . . . . 40.130000000000003 111.873 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -79.95 -37.67 33.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.73 0.776 . . . . 74.310000000000002 110.322 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.623 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -145.74 127.0 14.82 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.251 -1.759 . . . . 74.450000000000003 106.251 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.92 -54.3 38.04 Favored Glycine 0 CA--C 1.486 -1.778 0 O-C-N 124.214 0.946 . . . . 60.350000000000001 111.616 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.507 HD22 HG23 ' A' ' 676' ' ' ILE . 11.5 mt -108.93 -27.2 9.82 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.261 -1.015 . . . . 62.509999999999998 108.261 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.463 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 79.89 48.32 6.64 Favored Glycine 0 N--CA 1.399 -3.819 0 N-CA-C 109.289 -1.524 . . . . 73.219999999999999 109.289 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.85 152.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.281 0 N-CA-C 106.403 -1.703 . . . . 74.219999999999999 106.403 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 m -113.09 137.28 51.67 Favored 'General case' 0 N--CA 1.395 -3.185 0 N-CA-C 107.048 -1.464 . . . . 72.329999999999998 107.048 172.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 621' ' ' VAL . 2.2 m -123.8 162.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 CA-C-O 121.278 0.561 . . . . 72.310000000000002 111.318 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.419 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 0.1 OUTLIER -139.95 152.73 46.57 Favored 'General case' 0 C--N 1.278 -2.517 0 N-CA-C 107.339 -1.356 . . . . 71.129999999999995 107.339 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.36 117.98 5.05 Favored Glycine 0 C--N 1.269 -3.16 0 C-N-CA 119.484 -1.341 . . . . 65.349999999999994 110.075 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.544 ' ND2' HD13 ' A' ' 617' ' ' LEU . 53.2 t30 -94.76 131.94 40.06 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.75 -0.833 . . . . 74.409999999999997 108.75 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -134.83 125.66 27.29 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.16 -0.927 . . . . 74.540000000000006 109.054 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 35.5 m -78.67 118.02 20.37 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.122 -0.696 . . . . 74.129999999999995 109.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -77.76 -40.53 40.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.945 0.402 . . . . 62.420000000000002 110.813 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.04 -42.84 62.72 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.99 -0.55 . . . . 74.420000000000002 110.25 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.49 -13.7 59.71 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.472 0.653 . . . . 74.230000000000004 110.38 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 56.2 m80 62.46 21.55 12.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.316 1.046 . . . . 63.219999999999999 113.201 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -125.71 153.53 43.77 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.173 -0.677 . . . . 71.510000000000005 109.173 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -87.04 150.76 23.81 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.998 -1.112 . . . . 75.25 107.998 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.544 HD13 ' ND2' ' A' ' 608' ' ' ASN . 75.6 mt -101.14 -5.18 25.99 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.265 0.555 . . . . 64.340000000000003 109.524 178.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.44 -172.47 21.25 Favored Glycine 0 C--N 1.308 -1.001 0 CA-C-N 115.371 -0.831 . . . . 63.310000000000002 112.683 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -96.43 134.78 32.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 N-CA-C 108.783 -0.821 . . . . 72.25 108.783 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.474 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 84.5 m-85 -129.63 147.9 51.47 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.744 -0.465 . . . . 73.420000000000002 109.744 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.431 ' HA ' HG11 ' A' ' 605' ' ' VAL . 87.1 t -66.98 126.78 27.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-O 121.295 0.569 . . . . 74.540000000000006 110.092 172.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.469 ' HZ2' ' CD ' ' B' ' 781' ' ' GLU . 18.7 ptmt -97.94 -44.5 6.65 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 116.323 -0.399 . . . . 75.319999999999993 110.915 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 622' ' ' LYS . 37.8 t -150.04 146.31 26.9 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 109.025 -0.731 . . . . 62.210000000000001 109.025 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.82 132.03 46.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 109.249 -0.649 . . . . 62.210000000000001 109.249 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.463 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 75.6 mt -87.54 120.91 37.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-O 121.051 0.453 . . . . 74.219999999999999 110.033 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -67.03 117.98 9.83 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.342 -0.845 . . . . 71.450000000000003 108.855 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.03 5.26 38.29 Favored Glycine 0 N--CA 1.434 -1.479 0 C-N-CA 120.768 -0.73 . . . . 74.450000000000003 111.7 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.83 22.94 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.619 -0.8 . . . . 54.100000000000001 111.328 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.24 88.49 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 117.399 0.599 . . . . 72.439999999999998 110.918 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -65.46 -25.81 67.67 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.334 -0.394 . . . . 71.129999999999995 111.221 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 93.0 p -74.98 -48.42 24.37 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 70.409999999999997 110.473 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -76.94 -50.81 12.4 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.068 0.461 . . . . 71.219999999999999 112.111 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.96 -50.9 11.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.492 0.553 . . . . 73.340000000000003 112.492 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.41 -43.77 8.36 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.62 -1.276 . . . . 51.329999999999998 113.559 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 61.91 76.72 0.36 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.857 0.837 . . . . 45.399999999999999 112.082 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.14 -170.77 2.17 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.713 -1.131 . . . . 65.540000000000006 109.695 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.607 ' NH2' ' HA ' ' A' ' 682' ' ' ARG . 23.0 ptt85 -136.26 171.3 14.68 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.221 0.534 . . . . 74.319999999999993 110.125 -176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -79.67 139.37 18.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 N-CA-C 108.224 -1.028 . . . . 72.239999999999995 108.224 172.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 77.2 11.99 2.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 124.924 1.289 . . . . 72.200000000000003 112.898 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 2.7 p30 -74.81 141.34 44.32 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 117.097 -1.841 . . . . 55.140000000000001 109.645 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 119.2 32.42 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.546 -0.909 . . . . 71.5 108.546 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.84 109.61 6.55 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.7 0.8 . . . . 63.409999999999997 111.058 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.436 ' CG2' HD22 ' A' ' 651' ' ' LEU . 48.6 mm -87.46 -55.03 6.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.721 -1.127 . . . . 75.120000000000005 110.534 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.01 157.12 44.53 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.263 -0.88 . . . . 74.540000000000006 110.575 -176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 678' ' ' LEU . 15.0 p -138.07 132.6 43.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.884 -0.784 . . . . 74.040000000000006 108.884 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 52.42 23.98 2.75 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.705 1.002 . . . . 62.520000000000003 113.705 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.28 59.36 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.743 -0.662 . . . . 65.129999999999995 113.478 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.18 131.64 35.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.234 -0.568 . . . . 74.549999999999997 110.015 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 19.6 p -93.51 152.24 19.19 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 122.969 0.508 . . . . 65.530000000000001 112.086 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 4.1 mp -121.41 18.69 11.37 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 111.066 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.436 HD22 ' CG2' ' A' ' 643' ' ' ILE . 2.0 mm? -79.27 103.05 8.93 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 120.555 -0.458 . . . . 72.439999999999998 110.008 -176.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 134.65 -30.23 2.89 Favored Glycine 0 C--N 1.3 -1.447 0 C-N-CA 120.424 -0.893 . . . . 54.240000000000002 112.347 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -87.02 155.58 20.1 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.878 -0.329 . . . . 62.409999999999997 110.619 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.87 169.43 13.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.99 0.367 . . . . 61.329999999999998 111.99 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -57.08 -46.74 82.3 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.234 0.614 . . . . 73.319999999999993 111.341 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -68.08 -31.57 71.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.098 -0.501 . . . . 53.219999999999999 111.359 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.02 -38.81 63.94 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.653 -0.869 . . . . 71.209999999999994 108.653 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.16 91.82 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.468 -1.242 . . . . 54.219999999999999 110.622 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 58.5 mtt -66.02 -37.39 85.76 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.882 0.697 . . . . 73.140000000000001 112.882 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.55 -38.1 89.85 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.675 -0.861 . . . . 74.019999999999996 108.675 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 84.0 m -62.63 -51.14 68.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.543 -0.753 . . . . 52.109999999999999 110.136 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.6 mt -56.44 -55.58 31.83 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.898 -0.592 . . . . 52.039999999999999 111.475 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.45 -41.87 86.13 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.96 0.41 . . . . 75.420000000000002 111.076 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.82 -46.0 87.07 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.864 -0.607 . . . . 61.409999999999997 110.28 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 52.1 m -68.28 -32.68 73.02 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 121.277 -0.169 . . . . 64.510000000000005 111.173 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 86.8 mtp -72.16 -42.05 66.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.389 -0.524 . . . . 60.229999999999997 110.274 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.4 t -73.83 -55.88 5.65 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.917 -0.583 . . . . 62.539999999999999 109.944 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.8 m -70.35 -52.43 22.65 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 112.513 0.56 . . . . 73.230000000000004 112.513 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 672' ' ' LYS . 18.3 tt0 -95.99 -17.14 21.22 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 113.681 0.993 . . . . 70.310000000000002 113.681 -173.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.59 96.7 Favored Glycine 0 C--N 1.312 -0.793 0 C-N-CA 120.06 -1.067 . . . . 63.310000000000002 110.448 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -82.12 5.68 18.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.151 0.5 . . . . 71.430000000000007 111.128 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 669' ' ' GLU . 85.5 tttt -85.78 -51.69 6.26 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.236 -0.654 . . . . 64.510000000000005 109.236 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -92.83 -23.86 18.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.059 -0.519 . . . . 74.510000000000005 111.197 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.75 74.65 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 109.567 -1.413 . . . . 60.130000000000003 109.567 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' MET . . . . . 0.486 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 25.5 ptt? -148.19 169.56 19.79 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 106.829 -1.545 . . . . 65.400000000000006 106.829 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.507 HG23 HD22 ' A' ' 601' ' ' LEU . 6.8 tt -133.98 144.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.994 0 O-C-N 123.888 0.742 . . . . 74.239999999999995 110.573 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -105.06 137.39 42.88 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.886 -0.597 . . . . 63.229999999999997 109.794 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.459 HD13 HG22 ' A' ' 645' ' ' VAL . 1.8 mm? -127.56 135.4 50.26 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.244 -0.65 . . . . 63.530000000000001 109.244 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 92.2 mt -120.37 115.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 107.713 -1.217 . . . . 63.229999999999997 107.713 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.89 156.53 30.92 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.725 0 CA-C-N 115.33 -0.85 . . . . 70.040000000000006 109.784 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.22 143.21 42.34 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.448 0.642 . . . . 53.109999999999999 110.427 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.607 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 4.3 ptp180 -133.72 146.22 50.6 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.299 -0.63 . . . . 75.549999999999997 109.299 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -87.76 144.33 26.68 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 106.914 -1.513 . . . . 73.230000000000004 106.914 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 684' ' ' ILE . 3.3 mp -76.94 91.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.544 0.687 . . . . 74.299999999999997 109.679 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 39.7 m -152.14 112.04 4.02 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.113 -1.069 . . . . 54.520000000000003 108.113 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -76.36 -28.03 56.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.421 -0.955 . . . . 74.420000000000002 108.421 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 49.8 t -103.74 98.34 8.22 Favored 'General case' 0 N--CA 1.425 -1.685 0 N-CA-C 107.774 -1.195 . . . . 72.099999999999994 107.774 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -97.89 -65.0 0.99 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.914 -0.773 . . . . 70.209999999999994 108.914 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.244 0.776 0 C-N-CA 124.421 1.088 . . . . 73.019999999999996 112.704 177.108 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 CA--C 1.509 -0.622 0 N-CA-C 109.157 -0.683 . . . . 74.299999999999997 109.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 62.4 mt 61.79 87.86 0.09 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.423 1.077 . . . . 70.409999999999997 109.183 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -121.68 87.63 2.79 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.736 0.643 . . . . 65.129999999999995 112.736 -175.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -117.14 122.33 43.79 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.971 -1.492 . . . . 71.239999999999995 106.971 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 87.7 mt -94.64 126.57 40.02 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.843 -0.343 . . . . 52.310000000000002 110.555 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -78.61 -36.02 44.81 Favored 'General case' 0 CA--C 1.488 -1.435 0 N-CA-C 105.478 -2.045 . . . . 73.140000000000001 105.478 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -93.76 70.39 1.37 Allowed Glycine 1 N--CA 1.39 -4.408 0 CA-C-N 113.262 -1.79 . . . . 64.25 109.726 175.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 47.3 m -76.25 90.48 3.16 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.136 -0.69 . . . . 74.439999999999998 109.136 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.51 161.96 57.57 Favored Pre-proline 0 C--N 1.292 -1.904 0 N-CA-C 108.377 -0.971 . . . . 70.129999999999995 108.377 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . 0.429 ' HG2' ' OE2' ' B' ' 780' ' ' GLU . 18.7 Cg_endo -62.19 -14.5 38.4 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.557 2.172 . . . . 74.420000000000002 111.066 172.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 69.61 93.86 0.08 Allowed 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 125.454 1.502 . . . . 73.219999999999999 112.003 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . 0.429 ' OE2' ' HG2' ' B' ' 778' ' ' PRO . 3.1 mp0 -84.39 103.2 13.35 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.294 -0.866 . . . . 73.510000000000005 111.134 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.469 ' CD ' ' HZ2' ' A' ' 622' ' ' LYS . 87.3 mt-10 -133.95 132.88 40.71 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.991 -1.004 . . . . 64.530000000000001 110.096 175.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.81 131.58 49.55 Favored 'General case' 0 N--CA 1.398 -3.033 0 CA-C-N 114.722 -1.127 . . . . 72.439999999999998 110.13 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.26 120.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 107.947 -1.131 . . . . 73.25 107.947 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.407 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 11.1 pt . . . . . 0 N--CA 1.415 -2.219 0 CA-C-O 117.629 -1.177 . . . . 74.25 111.019 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.209 0 N-CA-C 110.403 -1.079 . . . . 73.530000000000001 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 31.6 p -90.44 91.7 8.57 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.522 -1.288 . . . . 64.030000000000001 107.522 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.79 160.37 18.77 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.622 -0.717 . . . . 61.299999999999997 111.541 -173.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -85.81 44.02 3.31 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.85 -0.614 . . . . 50.409999999999997 112.918 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 55.1 m -83.36 -21.09 33.21 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.579 -1.267 . . . . 65.209999999999994 107.579 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -138.21 144.34 40.59 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.941 -1.027 . . . . 71.329999999999998 109.109 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.2 151.66 42.01 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.921 -0.4 . . . . 72.340000000000003 109.921 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.12 123.06 47.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 O-C-N 123.578 0.549 . . . . 73.209999999999994 112.286 -173.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.11 139.36 49.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.086 -0.709 . . . . 74.400000000000006 109.086 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 94.1 m -108.28 122.18 46.43 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.468 -0.567 . . . . 45.310000000000002 109.468 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.83 135.05 54.38 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 109.027 -0.731 . . . . 72.340000000000003 109.027 175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -115.24 116.4 28.27 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.655 -0.869 . . . . 75.239999999999995 108.655 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.3 119.85 35.83 Favored Pre-proline 0 C--N 1.276 -2.591 0 CA-C-N 114.065 -1.425 . . . . 71.409999999999997 111.113 -170.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . 0.477 ' C ' ' H ' ' A' ' 594' ' ' ASN . 58.1 Cg_endo -71.36 148.13 54.25 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 121.198 1.265 . . . . 73.010000000000005 109.673 174.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.46 19.43 1.26 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.76 -0.588 . . . . 63.32 110.716 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 592' ' ' PRO . 8.3 t30 -60.99 -69.82 0.21 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.433 -1.258 . . . . 71.239999999999995 112.429 -176.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.43 -23.85 61.13 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.837 0.351 . . . . 74.310000000000002 111.052 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 18.0 m -58.63 -65.51 0.65 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.352 -0.84 . . . . 74.239999999999995 109.695 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 65.13 -74.51 0.08 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 123.436 0.46 . . . . 65.219999999999999 113.484 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.2 m -92.13 -13.31 30.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-O 121.144 0.497 . . . . 64.329999999999998 110.286 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -116.16 175.68 5.44 Favored 'General case' 0 N--CA 1.394 -3.264 0 N-CA-C 107.012 -1.477 . . . . 75.030000000000001 107.012 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -97.32 -52.63 1.43 Allowed Glycine 0 C--N 1.26 -3.649 0 N-CA-C 109.607 -1.397 . . . . 40.32 109.607 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.557 HD22 ' HB ' ' B' ' 784' ' ' ILE . 2.5 mm? -110.4 -40.46 4.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.782 -1.192 . . . . 72.409999999999997 107.782 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.579 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.87 53.17 2.44 Favored Glycine 0 N--CA 1.398 -3.894 0 N-CA-C 107.125 -2.39 . . . . 71.540000000000006 107.125 -175.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.8 t -140.99 153.03 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 106.97 -1.493 . . . . 52.539999999999999 106.97 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 622' ' ' LYS . 32.5 m -108.83 134.24 51.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 106.879 -1.526 . . . . 72.040000000000006 106.879 172.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.497 HG11 ' HA ' ' A' ' 621' ' ' VAL . 6.1 m -124.61 165.86 20.94 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.885 0 CA-C-O 121.313 0.578 . . . . 74.349999999999994 111.74 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.455 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 65.2 pttt -149.54 153.12 36.67 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 114.661 -1.154 . . . . 51.219999999999999 109.075 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.25 130.12 10.09 Favored Glycine 0 C--N 1.273 -2.932 0 C-N-CA 119.153 -1.499 . . . . 55.219999999999999 110.842 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.574 ' ND2' HD13 ' A' ' 617' ' ' LEU . 54.5 t30 -103.29 129.45 50.29 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.625 -0.879 . . . . 64.329999999999998 108.625 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 14.2 ttm180 -128.67 129.79 46.32 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 108.775 -0.824 . . . . 73.219999999999999 108.775 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 39.7 m -88.92 92.07 9.08 Favored 'General case' 0 N--CA 1.406 -2.629 0 N-CA-C 106.484 -1.673 . . . . 44.25 106.484 172.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.496 ' HD3' ' C ' ' A' ' 611' ' ' LYS . 0.5 OUTLIER -70.26 -41.38 73.56 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 123.308 0.643 . . . . 74.329999999999998 110.591 -172.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.51 -28.27 65.9 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.69 0.757 . . . . 70.109999999999999 109.83 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -79.58 -26.5 41.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.15 -0.932 . . . . 71.340000000000003 109.338 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 44.2 m80 72.46 31.42 1.78 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.008 1.323 . . . . 74.430000000000007 111.729 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -143.39 135.16 26.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.45 -0.795 . . . . 53.119999999999997 109.692 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.5 m-20 -80.65 152.49 28.44 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.005 -1.109 . . . . 71.299999999999997 108.005 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . 0.574 HD13 ' ND2' ' A' ' 608' ' ' ASN . 58.3 mt -100.04 -5.17 28.48 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.698 0.761 . . . . 75.450000000000003 109.373 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.1 -176.16 24.42 Favored Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 115.008 -0.996 . . . . 72.030000000000001 111.916 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.97 132.55 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.945 -1.131 . . . . 72.0 107.945 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.1 m-85 -122.76 149.94 43.45 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 120.746 0.308 . . . . 74.530000000000001 110.58 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.497 ' HA ' HG11 ' A' ' 605' ' ' VAL . 94.2 t -65.13 119.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 CA-C-O 122.322 1.058 . . . . 75.450000000000003 110.351 173.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 604' ' ' SER . 70.9 tttt -83.32 -60.17 2.23 Favored 'General case' 0 C--N 1.26 -3.318 0 CA-C-N 113.74 -1.573 . . . . 74.120000000000005 109.847 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 24.0 t -151.7 155.39 38.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.407 -0.96 . . . . 74.239999999999995 108.407 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -98.59 135.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 117.688 0.222 . . . . 70.129999999999995 110.549 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.579 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.1 mt -91.34 117.15 34.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.76 -0.83 . . . . 65.510000000000005 108.76 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -74.42 122.75 23.48 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.772 -0.649 . . . . 70.319999999999993 110.324 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.94 14.56 Favored Glycine 0 C--N 1.297 -1.589 0 N-CA-C 110.116 -1.194 . . . . 50.340000000000003 110.116 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -71.72 145.82 39.17 Favored Glycine 0 N--CA 1.438 -1.231 0 N-CA-C 111.247 -0.741 . . . . 74.230000000000004 111.247 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.01 69.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.707 0.289 . . . . 64.109999999999999 111.452 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.0 -27.74 69.04 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-O 121.105 0.479 . . . . 72.230000000000004 110.764 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 33.2 t -77.71 -43.03 32.36 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.467 -0.788 . . . . 74.150000000000006 109.764 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.73 -52.86 10.43 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.401 -0.52 . . . . 64.25 111.824 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.34 -52.56 7.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.043 0.449 . . . . 72.25 111.85 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -79.08 -43.75 10.49 Favored Glycine 0 CA--C 1.496 -1.124 0 C-N-CA 120.156 -1.021 . . . . 71.019999999999996 114.002 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 67.56 89.29 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.764 0.792 . . . . 72.310000000000002 109.816 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.9 177.13 5.05 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.276 -0.875 . . . . 74.25 110.736 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.406 HH21 ' NE ' ' A' ' 682' ' ' ARG . 0.0 OUTLIER -140.65 155.86 46.4 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.212 -0.449 . . . . 55.439999999999998 111.942 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 91.4 t -70.08 137.87 23.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.55 -0.75 . . . . 74.409999999999997 110.18 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 75.31 16.58 2.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.022 1.329 . . . . 74.420000000000002 110.59 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 58.9 t0 -77.5 137.03 38.41 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.661 -1.237 . . . . 73.209999999999994 107.661 175.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 114.32 27.13 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 118.301 0.5 . . . . 63.32 110.92 -172.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.409 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.6 mp -74.51 120.67 20.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.299 1.04 . . . . 62.539999999999999 111.63 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.2 mm -100.95 -53.3 7.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.849 -0.614 . . . . 65.549999999999997 112.05 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -137.75 156.11 48.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.649 -0.705 . . . . 64.430000000000007 111.571 -174.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.4 123.82 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.262 -0.881 . . . . 74.140000000000001 110.728 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.561 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.8 m-20 51.72 29.29 5.6 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.754 1.39 . . . . 63.329999999999998 114.754 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.28 62.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.641 -0.79 . . . . 71.450000000000003 112.722 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -93.06 125.13 37.5 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.371 -0.974 . . . . 73.109999999999999 108.371 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -98.43 129.71 45.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.342 -0.614 . . . . 74.140000000000001 109.342 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.408 HD21 ' H ' ' A' ' 650' ' ' LEU . 1.8 pt? -125.72 10.66 7.78 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.291 0.849 . . . . 75.230000000000004 113.291 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 62.6 tp -77.76 84.12 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.342 -0.943 . . . . 75.25 110.197 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 169.17 36.46 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.013 -0.994 . . . . 54.240000000000002 110.739 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -159.12 167.02 30.23 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.847 -0.798 . . . . 74.340000000000003 108.847 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.427 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -64.46 157.01 27.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.667 0.604 . . . . 74.530000000000001 111.645 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.435 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 14.0 m120 -50.81 -47.33 59.97 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.458 0.703 . . . . 64.310000000000002 112.416 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.65 -37.59 86.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.219 -0.446 . . . . 74.120000000000005 111.371 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.56 -38.76 81.04 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.782 0.801 . . . . 72.239999999999995 109.343 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.75 76.32 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.505 -1.225 . . . . 75.129999999999995 109.93 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.491 ' HE2' ' O ' ' B' ' 780' ' ' GLU . 61.7 mtt -61.15 -37.5 83.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.153 0.427 . . . . 63.5 112.153 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.82 -37.9 83.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.361 0.601 . . . . 54.140000000000001 109.958 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 57.9 m -76.77 -48.25 19.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.547 -0.751 . . . . 71.409999999999997 109.485 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.674 ' O ' ' HG3' ' A' ' 666' ' ' MET . 64.8 tp -56.23 -56.09 25.3 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.666 1.187 . . . . 73.310000000000002 112.754 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -58.98 -35.96 74.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.395 0.617 . . . . 75.430000000000007 110.442 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.75 -48.01 56.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.579 -0.737 . . . . 54.310000000000002 110.941 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 73.0 m -67.63 -27.32 66.78 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 111.696 0.258 . . . . 71.439999999999998 111.696 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.674 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 89.3 mtp -64.67 -41.87 95.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.045 0.45 . . . . 75.299999999999997 110.193 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 25.4 t -88.03 -49.75 6.84 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.668 -0.696 . . . . 60.049999999999997 110.866 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 62.0 m -73.42 -46.44 48.57 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.085 0.469 . . . . 64.010000000000005 111.113 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 672' ' ' LYS . 42.5 mt-10 -93.15 -1.57 56.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.159 0.429 . . . . 71.099999999999994 112.159 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -82.93 -42.75 7.98 Favored Glycine 0 CA--C 1.497 -1.083 0 N-CA-C 110.044 -1.222 . . . . 70.219999999999999 110.044 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.52 -18.49 65.36 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.819 0.848 . . . . 73.420000000000002 112.342 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 63.5 pttt -72.9 -26.41 61.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.209 0.528 . . . . 73.109999999999999 110.936 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -110.72 -48.3 3.15 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.613 0.72 . . . . 75.340000000000003 110.576 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 110.24 -9.88 31.18 Favored Glycine 0 C--N 1.305 -1.155 0 N-CA-C 108.376 -1.89 . . . . 72.319999999999993 108.376 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' MET . . . . . 0.43 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.8 ptp -135.43 150.61 49.91 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 113.736 -1.232 . . . . 71.299999999999997 108.936 177.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.561 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 4.7 tt -110.97 132.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.653 0 CA-C-N 115.04 -0.982 . . . . 74.219999999999999 110.962 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.67 126.51 45.71 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 114.332 -1.304 . . . . 73.010000000000005 109.122 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.0 OUTLIER -131.12 128.32 39.89 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-O 121.08 0.466 . . . . 74.019999999999996 111.6 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.2 mp -103.37 124.11 57.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.051 -1.463 . . . . 70.319999999999993 107.051 175.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.37 152.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 N-CA-C 109.06 -0.718 . . . . 72.450000000000003 109.06 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -119.83 125.79 49.41 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 116.026 -0.534 . . . . 74.439999999999998 111.441 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.406 ' NE ' HH21 ' A' ' 637' ' ' ARG . 1.2 ptp180 -108.29 148.92 29.33 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.504 -1.295 . . . . 72.420000000000002 107.504 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -84.57 136.98 33.56 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.228 -0.656 . . . . 74.239999999999995 109.228 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 55.1 mt -78.76 93.33 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-O 121.61 0.719 . . . . 62.539999999999999 111.518 -176.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.3 m -178.21 -82.34 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 127.979 2.512 . . . . 73.25 106.902 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -161.78 156.85 23.34 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.277 -2.12 . . . . 74.409999999999997 105.277 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 13.7 t -102.51 96.83 7.17 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 107.513 -1.292 . . . . 74.209999999999994 107.513 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -80.99 125.98 30.83 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.198 -0.91 . . . . 51.329999999999998 111.298 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.817 -0.629 . . . . 74.099999999999994 110.789 178.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 121.847 0.832 . . . . 73.129999999999995 109.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.37 105.67 15.73 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.782 -1.099 . . . . 72.209999999999994 108.649 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -158.42 101.41 1.7 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.893 -0.594 . . . . 73.140000000000001 109.893 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.41 118.19 19.63 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 116.014 -0.539 . . . . 71.099999999999994 110.679 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 5.6 tt -96.88 108.89 21.67 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.265 -1.754 . . . . 65.329999999999998 106.265 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -148.26 -62.47 0.25 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.296 -0.411 . . . . 74.230000000000004 110.813 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -170.5 78.82 0.1 OUTLIER Glycine 0 N--CA 1.434 -1.472 0 C-N-CA 120.381 -0.914 . . . . 71.400000000000006 112.233 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 776' ' ' SER . . . . . 0.509 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 48.9 m -151.31 175.14 12.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 107.013 -1.476 . . . . 62.219999999999999 107.013 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.82 109.93 26.22 Favored Pre-proline 0 C--N 1.292 -1.909 0 CA-C-O 120.902 0.382 . . . . 74.5 110.417 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' B' ' 776' ' ' SER . 84.4 Cg_endo -100.22 -11.82 0.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.012 1.808 . . . . 71.319999999999993 113.593 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -165.76 22.33 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.642 -0.873 . . . . 54.109999999999999 108.642 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . 0.491 ' O ' ' HE2' ' A' ' 659' ' ' MET . 44.2 mt-10 -108.18 31.91 5.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.953 0.882 . . . . 71.319999999999993 112.009 -172.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.455 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 77.0 mt-10 -107.62 135.17 49.51 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.238 -1.347 . . . . 72.400000000000006 109.851 168.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 50.7 tp -137.47 134.46 35.8 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 116.012 -0.54 . . . . 54.25 111.082 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.9 123.63 48.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.854 -0.795 . . . . 71.5 108.854 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.557 ' HB ' HD22 ' A' ' 601' ' ' LEU . 16.4 pt . . . . . 0 N--CA 1.424 -1.729 0 CA-C-O 118.137 -0.935 . . . . 71.230000000000004 110.944 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.904 0 N-CA-C 110.212 -1.155 . . . . 54.140000000000001 110.212 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.8 m -87.47 129.96 34.87 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 117.521 0.661 . . . . 70.120000000000005 109.824 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.55 153.55 42.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.845 -0.428 . . . . 52.049999999999997 109.845 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -97.39 30.66 8.8 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.972 -0.632 . . . . 61.520000000000003 113.333 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 19.9 m -76.49 -47.41 22.92 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.419 -1.696 . . . . 74.340000000000003 106.419 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -143.0 135.99 27.99 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.593 -1.632 . . . . 75.030000000000001 106.593 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -110.33 145.89 36.68 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 120.21 -0.596 . . . . 74.409999999999997 110.221 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . 0.421 ' CE2' HG22 ' A' ' 643' ' ' ILE . 4.6 m-30 -95.3 136.18 35.98 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.455 -0.793 . . . . 75.349999999999994 111.43 -174.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.82 154.22 31.1 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.83 -1.174 . . . . 73.200000000000003 107.83 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 31.7 m -116.07 122.47 45.24 Favored 'General case' 0 C--N 1.287 -2.13 0 C-N-CA 120.117 -0.633 . . . . 73.439999999999998 110.33 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . 0.535 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 51.5 m-85 -123.84 119.33 29.36 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 109.576 -0.528 . . . . 71.420000000000002 109.576 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . 0.449 ' HG2' ' HG3' ' A' ' 677' ' ' GLN . 44.9 mt-10 -106.77 130.82 54.42 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.994 -0.743 . . . . 74.519999999999996 108.994 176.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 94.8 t -120.08 117.6 32.0 Favored Pre-proline 0 C--N 1.281 -2.403 0 CA-C-N 115.631 -0.713 . . . . 72.140000000000001 110.279 -172.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . 0.451 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 73.0 Cg_endo -73.98 148.44 40.29 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.721 1.614 . . . . 73.450000000000003 111.409 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 65.77 2.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.854 0.835 . . . . 63.340000000000003 110.402 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 5.3 m-20 -102.19 -71.92 0.7 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.475 -1.239 . . . . 72.5 110.161 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.06 50.99 1.84 Allowed 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.74 0.781 . . . . 75.319999999999993 109.464 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.591 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 14.1 m -115.97 112.13 21.38 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-N 114.614 -1.175 . . . . 74.439999999999998 108.716 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -177.03 -50.44 0.06 OUTLIER Glycine 0 N--CA 1.419 -2.491 0 N-CA-C 110.092 -1.203 . . . . 41.409999999999997 110.092 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.9 m -86.67 -22.74 25.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.986 0.898 . . . . 72.299999999999997 108.765 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.591 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -156.15 162.43 40.22 Favored 'General case' 0 N--CA 1.402 -2.862 0 N-CA-C 104.9 -2.259 . . . . 71.510000000000005 104.9 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -84.2 -58.02 2.27 Favored Glycine 0 C--N 1.28 -2.581 0 N-CA-C 110.781 -0.928 . . . . 74.540000000000006 110.781 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 676' ' ' ILE . 6.3 mp -102.28 -28.28 12.36 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.259 -1.015 . . . . 71.420000000000002 108.259 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 81.05 51.2 4.83 Favored Glycine 0 N--CA 1.404 -3.436 0 N-CA-C 109.329 -1.508 . . . . 55.229999999999997 109.329 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . 0.436 ' CG1' HG12 ' A' ' 621' ' ' VAL . 46.6 t -134.66 150.98 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 N-CA-C 107.278 -1.379 . . . . 71.510000000000005 107.278 177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 26.1 m -110.23 132.19 54.39 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 106.392 -1.707 . . . . 74.230000000000004 106.392 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.417 HG12 ' CD2' ' A' ' 642' ' ' LEU . 4.1 m -124.25 159.06 30.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.417 0 CA-C-O 121.402 0.62 . . . . 71.0 111.724 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -149.13 153.01 37.1 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 115.114 -0.948 . . . . 71.430000000000007 109.925 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -110.89 134.67 12.33 Favored Glycine 0 C--N 1.265 -3.409 0 C-N-CA 119.981 -1.104 . . . . 37.119999999999997 110.756 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -103.5 127.16 50.95 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.847 -1.168 . . . . 71.230000000000004 107.847 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -124.12 128.91 49.97 Favored 'General case' 0 C--N 1.27 -2.876 0 N-CA-C 109.819 -0.437 . . . . 75.329999999999998 109.819 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 46.1 m -91.66 96.69 10.59 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.273 -1.01 . . . . 45.109999999999999 108.273 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.405 ' HB2' ' HZ2' ' A' ' 611' ' ' LYS . 4.3 ttmp? -63.32 -37.45 87.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.142 0.496 . . . . 72.049999999999997 111.481 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . 0.452 ' HB3' ' CE2' ' B' ' 774' ' ' TYR . 0.0 OUTLIER -74.96 -35.09 62.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.753 0.649 . . . . 74.010000000000005 112.753 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.75 -13.95 57.11 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.612 0.72 . . . . 73.25 109.897 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 40.3 m80 65.2 25.06 12.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.05 0.94 . . . . 62.439999999999998 111.739 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -135.16 139.71 44.81 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.901 -0.591 . . . . 65.420000000000002 110.381 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.75 146.54 29.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.194 -1.039 . . . . 73.530000000000001 108.194 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.2 -6.36 44.92 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.783 -0.821 . . . . 62.420000000000002 108.783 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 101.29 -179.6 28.35 Favored Glycine 0 N--CA 1.426 -1.97 0 CA-C-N 114.565 -1.198 . . . . 42.240000000000002 112.687 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 43.6 mm -91.34 126.8 43.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.491 -0.929 . . . . 74.340000000000003 108.491 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.505 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.0 m-85 -118.77 150.12 40.33 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 122.836 0.454 . . . . 72.530000000000001 110.679 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.436 HG12 ' CG1' ' A' ' 603' ' ' VAL . 93.3 t -71.77 130.87 35.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.569 -0.741 . . . . 72.420000000000002 109.997 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -88.08 -64.55 1.13 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.875 -0.787 . . . . 74.409999999999997 108.875 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 22.5 p -149.38 157.56 43.42 Favored 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 114.209 -1.36 . . . . 74.129999999999995 109.606 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.64 134.7 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 C-N-CA 123.409 0.684 . . . . 74.319999999999993 110.4 176.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.68 115.16 28.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 106.739 -1.578 . . . . 72.140000000000001 106.739 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -50.91 -32.09 19.6 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.133 1.161 . . . . 64.230000000000004 114.133 -173.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -93.93 42.79 2.48 Favored Glycine 0 C--N 1.299 -1.517 0 C-N-CA 121.268 -0.492 . . . . 74.120000000000005 111.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -126.79 152.75 18.63 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.893 -0.883 . . . . 50.299999999999997 110.893 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 112.478 0.547 . . . . 74.430000000000007 112.478 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -72.92 -26.75 61.51 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-O 121.976 0.893 . . . . 72.409999999999997 109.443 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.3 m -76.28 -52.27 10.32 Favored 'General case' 0 C--N 1.275 -2.666 0 CA-C-N 113.721 -1.581 . . . . 73.420000000000002 109.685 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.51 -51.63 14.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.629 0.603 . . . . 65.219999999999999 112.629 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.81 -51.44 9.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.041 0.448 . . . . 74.310000000000002 111.832 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -78.85 -32.05 41.89 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.179 -0.918 . . . . 75.239999999999995 115.194 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.18 35.13 18.59 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.399 -1.334 . . . . 75.349999999999994 107.399 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 3.0 tt -56.37 129.54 40.95 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.826 0.822 . . . . 75.230000000000004 111.142 -171.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.794 ' HD3' ' OD2' ' A' ' 640' ' ' ASP . 7.1 ptm180 -54.63 -26.2 31.43 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 118.419 2.748 . . . . 72.010000000000005 118.419 -167.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 70.0 t 75.65 145.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 118.504 0.593 . . . . 71.510000000000005 112.159 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 621' ' ' VAL . 66.3 t30 60.59 26.28 15.98 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.691 1.596 . . . . 73.439999999999998 109.656 -176.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.89 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 13.0 t70 -96.04 157.57 15.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 CA-C-N 114.648 -1.16 . . . . 63.039999999999999 108.416 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.94 117.83 35.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.835 -0.802 . . . . 61.43 108.835 -176.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.417 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.2 mp -72.39 109.91 6.43 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.518 0.727 . . . . 75.150000000000006 111.082 -176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.444 HG23 HD22 ' A' ' 651' ' ' LEU . 47.5 mm -86.93 -64.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.372 -0.831 . . . . 75.409999999999997 111.659 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 648' ' ' GLU . . . -123.4 142.53 50.88 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.613 0.598 . . . . 61.340000000000003 112.613 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.95 119.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.494 -0.775 . . . . 53.340000000000003 109.22 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 677' ' ' GLN . 86.6 m-20 53.07 24.57 3.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.809 0.814 . . . . 73.5 112.362 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 116.7 -33.91 4.88 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-N 114.888 -1.051 . . . . 55.43 113.99 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 644' ' ' ALA . 11.9 pt-20 -90.55 131.59 36.19 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 115.003 1.483 . . . . 63.439999999999998 115.003 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.1 m -81.25 137.82 35.81 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.438 -1.256 . . . . 63.119999999999997 110.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 658' ' ' ALA . 83.5 mt -100.39 17.13 22.31 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.0 0.52 . . . . 71.310000000000002 111.364 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.444 HD21 ' N ' ' A' ' 651' ' ' LEU . 2.9 mm? -84.05 -1.57 55.07 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.677 0.621 . . . . 74.219999999999999 112.677 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -105.99 16.68 42.57 Favored Glycine 0 C--N 1.308 -0.988 0 C-N-CA 120.755 -0.736 . . . . 70.439999999999998 111.61 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -150.76 159.1 44.75 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 122.815 0.446 . . . . 53.420000000000002 109.797 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.06 170.65 15.02 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.197 0.311 . . . . 74.140000000000001 111.025 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -52.35 -47.51 66.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.753 0.821 . . . . 62.310000000000002 112.156 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.6 tt0 -63.52 -46.76 84.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.358 -0.383 . . . . 64.209999999999994 110.861 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -61.14 -39.45 90.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.586 0.707 . . . . 72.129999999999995 109.269 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' ' 650' ' ' LEU . . . -59.78 -47.77 84.36 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 114.807 -1.088 . . . . 73.409999999999997 109.839 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.2 mtt -60.13 -43.74 95.43 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 112.086 0.402 . . . . 63.140000000000001 112.086 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 43.6 mm-40 -61.41 -41.81 97.74 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.043 0.449 . . . . 61.32 110.452 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 46.3 m -70.72 -43.01 69.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.82 -0.627 . . . . 75.209999999999994 109.31 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 43.0 tp -55.18 -54.0 48.89 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.198 0.999 . . . . 73.319999999999993 111.398 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -56.72 -36.0 69.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.884 0.373 . . . . 72.519999999999996 111.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.22 -50.26 14.94 Favored 'General case' 0 C--O 1.205 -1.287 0 CA-C-N 116.331 -0.395 . . . . 73.299999999999997 110.943 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -28.43 65.79 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 113.0 0.741 . . . . 71.200000000000003 113.0 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.613 ' SD ' HG22 ' B' ' 784' ' ' ILE . 23.9 ptm -72.46 -30.08 64.25 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.047 -0.661 . . . . 70.329999999999998 110.274 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.5 -50.49 5.59 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.885 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 23.0 m -72.95 -50.02 25.83 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 120.771 0.32 . . . . 74.409999999999997 111.202 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -28.06 29.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.36 -0.382 . . . . 72.319999999999993 111.345 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 666' ' ' MET . . . -57.46 -60.2 9.44 Favored Glycine 0 CA--C 1.51 -0.269 0 CA-C-N 116.139 -0.482 . . . . 64.030000000000001 113.526 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -72.89 -15.36 61.59 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.227 0.537 . . . . 73.430000000000007 111.515 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -75.02 -45.3 42.75 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.19 -0.67 . . . . 70.400000000000006 109.19 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -71.09 -30.91 67.15 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.309 -0.86 . . . . 74.019999999999996 110.885 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 97.55 -22.78 38.98 Favored Glycine 0 C--O 1.246 0.844 0 N-CA-C 109.863 -1.295 . . . . 65.219999999999999 109.863 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' MET . . . . . 0.451 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 26.6 ptt? -148.05 160.93 42.35 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.336 -1.357 . . . . 65.329999999999998 107.336 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.429 HD13 HD11 ' A' ' 601' ' ' LEU . 7.7 tt -110.1 132.06 59.41 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.059 0 CA-C-O 121.523 0.678 . . . . 71.239999999999995 109.675 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . 0.449 ' HG3' ' HG2' ' A' ' 590' ' ' GLU . 63.5 tt0 -99.98 127.37 46.19 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.046 -0.979 . . . . 75.310000000000002 109.981 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.2 mm? -127.64 127.56 43.99 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.732 -0.84 . . . . 75.299999999999997 108.732 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.445 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 1.9 mp -103.23 126.89 57.52 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.777 0 N-CA-C 104.894 -2.262 . . . . 71.109999999999999 104.894 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.89 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 30.9 m -122.53 164.96 19.08 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.401 0 N-CA-C 109.089 -0.708 . . . . 72.340000000000003 109.089 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.48 130.93 28.92 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.097 0.475 . . . . 60.219999999999999 111.047 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -109.03 143.45 38.33 Favored 'General case' 0 N--CA 1.421 -1.896 0 C-N-CA 119.702 -0.799 . . . . 72.219999999999999 110.824 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -90.51 127.42 36.23 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.447 -0.797 . . . . 74.099999999999994 109.062 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 71.7 mt -75.26 -34.36 30.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 122.085 0.945 . . . . 74.430000000000007 109.227 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 32.4 m -86.34 90.64 8.25 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 114.294 -1.321 . . . . 74.140000000000001 109.428 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.8 104.75 0.8 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.374 -1.713 . . . . 75.219999999999999 106.374 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.41 115.6 19.14 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.394 -0.965 . . . . 73.200000000000003 108.394 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.22 106.64 4.49 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.26 -1.015 . . . . 63.130000000000003 108.26 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 115.695 -0.684 . . . . 70.349999999999994 110.057 -176.349 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.242 0.694 0 CA-C-O 120.718 0.294 . . . . 74.129999999999995 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 3.2 tt -147.66 114.68 6.16 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.141 -1.8 . . . . 73.420000000000002 106.141 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -117.76 -19.46 9.28 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.059 0.763 . . . . 62.409999999999997 113.059 -175.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.52 111.8 24.25 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.962 0.41 . . . . 74.439999999999998 110.387 -176.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.56 144.72 45.89 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.62 0.6 . . . . 72.140000000000001 112.62 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 612' ' ' GLU . 50.0 t80 88.71 -31.08 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.288 0 C-N-CA 125.539 1.536 . . . . 72.430000000000007 112.459 163.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -154.38 177.34 31.8 Favored Glycine 1 N--CA 1.394 -4.129 0 C-N-CA 117.836 -2.126 . . . . 52.219999999999999 114.231 177.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 776' ' ' SER . . . . . 0.418 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 51.1 m 56.9 81.77 0.13 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.666 1.187 . . . . 73.430000000000007 110.541 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.58 99.51 33.84 Favored Pre-proline 0 C--N 1.308 -1.21 0 CA-C-N 115.641 -0.709 . . . . 73.150000000000006 111.948 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' B' ' 776' ' ' SER . 65.4 Cg_endo -102.72 25.26 0.12 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.345 2.697 . . . . 61.340000000000003 108.86 172.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -71.44 -19.82 62.19 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.157 -1.383 . . . . 64.25 112.969 -172.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -98.83 119.23 37.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.622 0.725 . . . . 74.340000000000003 111.31 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -130.3 145.64 51.8 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 124.304 1.042 . . . . 71.120000000000005 110.933 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.9 tp -144.41 142.05 30.07 Favored 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 123.457 0.703 . . . . 74.049999999999997 109.399 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 3.2 mp -101.71 137.42 29.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.571 -0.9 . . . . 74.230000000000004 108.571 170.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.613 HG22 ' SD ' ' A' ' 666' ' ' MET . 11.4 pt . . . . . 0 N--CA 1.425 -1.704 0 CA-C-O 117.709 -1.138 . . . . 71.519999999999996 111.577 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.788 0 N-CA-C 111.022 -0.831 . . . . 42.520000000000003 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.3 t 64.24 95.31 0.05 OUTLIER 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.77 0.828 . . . . 74.129999999999995 110.855 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -147.82 -49.51 0.17 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.332 -0.849 . . . . 73.200000000000003 110.663 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -136.19 31.0 2.66 Favored Glycine 0 N--CA 1.429 -1.775 0 C-N-CA 118.557 -1.783 . . . . 71.219999999999999 116.146 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 31.8 m -76.58 -31.69 57.66 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.399 -1.704 . . . . 73.540000000000006 106.399 173.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -130.03 159.16 37.57 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 104.144 -2.539 . . . . 72.140000000000001 104.144 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -124.01 143.26 50.52 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 118.954 -1.098 . . . . 73.120000000000005 111.25 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 643' ' ' ILE . 7.4 m-30 -90.96 143.42 26.74 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.589 -0.732 . . . . 74.209999999999994 110.325 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.08 129.67 48.42 Favored 'General case' 0 C--N 1.275 -2.646 0 N-CA-C 107.203 -1.406 . . . . 61.32 107.203 176.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' THR . . . . . 0.44 ' HB ' HG13 ' A' ' 679' ' ' ILE 0.253 10.3 t -116.17 124.73 51.03 Favored 'General case' 0 C--N 1.257 -3.422 0 C-N-CA 118.735 -1.186 . . . . 75.420000000000002 111.412 177.275 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -110.98 133.65 53.22 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.783 -1.099 . . . . 64.239999999999995 109.034 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -109.07 128.1 54.69 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.319 -0.623 . . . . 51.439999999999998 109.319 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.428 ' HB ' HG21 ' A' ' 676' ' ' ILE . 40.5 t -121.68 121.52 28.23 Favored Pre-proline 0 C--N 1.291 -1.951 0 CA-C-N 115.266 -0.879 . . . . 74.439999999999998 108.658 -172.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . 0.436 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 96.0 Cg_endo -79.49 135.81 12.01 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 120.968 1.112 . . . . 52.229999999999997 111.123 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.28 75.23 5.85 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.94 0.876 . . . . 65.150000000000006 109.364 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.436 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 19.1 m120 -128.66 -60.7 1.09 Allowed 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.351 -1.295 . . . . 73.420000000000002 111.509 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . 0.416 ' C ' ' HG ' ' A' ' 596' ' ' SER . 31.5 t70 -121.29 73.65 1.05 Allowed 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.003 0.906 . . . . 75.310000000000002 110.573 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.416 ' HG ' ' C ' ' A' ' 595' ' ' ASP . 49.5 m -154.38 19.19 0.48 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.919 -1.491 . . . . 75.219999999999999 108.177 176.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.89 77.49 Favored Glycine 0 C--N 1.305 -1.165 0 CA-C-N 114.735 -1.12 . . . . 43.210000000000001 110.328 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 25.9 m -70.73 -16.81 62.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.875 -0.663 . . . . 74.530000000000001 110.246 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -139.42 -80.86 0.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.442 0.639 . . . . 72.129999999999995 111.32 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -177.31 -62.06 0.06 OUTLIER Glycine 0 C--N 1.286 -2.234 0 N-CA-C 106.474 -2.65 . . . . 61.539999999999999 106.474 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.463 ' HG ' ' HE2' ' A' ' 666' ' ' MET . 19.8 mt -122.33 -39.42 2.57 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 106.273 -1.751 . . . . 71.120000000000005 106.273 167.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 101.57 46.8 1.61 Allowed Glycine 0 N--CA 1.403 -3.561 0 CA-C-N 113.739 -1.573 . . . . 65.540000000000006 110.692 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.9 t -137.58 152.51 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 N-CA-C 107.05 -1.463 . . . . 61.25 107.05 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 38.4 m -112.56 134.0 54.32 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.337 -1.357 . . . . 64.329999999999998 107.337 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.5 HG12 ' CD2' ' A' ' 642' ' ' LEU . 5.0 m -127.5 158.91 38.64 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 CA-C-O 121.202 0.525 . . . . 74.219999999999999 111.524 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -148.73 151.59 35.14 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.368 -0.833 . . . . 64.230000000000004 109.721 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.55 145.36 15.91 Favored Glycine 0 N--CA 1.416 -2.684 0 C-N-CA 119.845 -1.169 . . . . 53.039999999999999 110.959 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.424 HD21 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -116.12 132.41 56.67 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.816 -1.55 . . . . 74.409999999999997 106.816 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.641 ' HG3' ' ND2' ' A' ' 655' ' ' ASN . 57.9 mtm180 -116.77 151.1 37.16 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 112.724 0.639 . . . . 73.150000000000006 112.724 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 38.9 m -77.54 174.78 10.5 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.864 -1.062 . . . . 75.109999999999999 109.993 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.602 ' O ' ' HD2' ' A' ' 614' ' ' HIS . 0.5 OUTLIER -57.65 119.19 6.17 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.87 -0.604 . . . . 70.400000000000006 111.874 -172.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 66.57 19.71 10.83 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 114.371 -1.286 . . . . 54.039999999999999 108.668 172.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 61.9 t30 59.21 43.56 16.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 114.124 -1.398 . . . . 71.450000000000003 110.202 -176.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . 0.602 ' HD2' ' O ' ' A' ' 611' ' ' LYS . 70.4 m-70 -69.74 -14.25 62.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.63 0.728 . . . . 73.230000000000004 109.348 171.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -169.94 166.55 9.35 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 107.022 -1.473 . . . . 73.099999999999994 107.022 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -120.66 152.53 38.09 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 106.966 -1.494 . . . . 73.109999999999999 106.966 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.17 -11.67 23.99 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.429 -0.582 . . . . 64.129999999999995 109.429 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 99.31 -175.08 27.93 Favored Glycine 0 C--N 1.309 -0.919 0 CA-C-N 115.042 -0.981 . . . . 75.430000000000007 112.836 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.3 mm -91.66 126.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 C-N-CA 122.964 0.505 . . . . 44.340000000000003 109.716 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.1 m-85 -120.26 151.32 39.34 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 116.124 -0.489 . . . . 71.120000000000005 110.045 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.22 136.25 26.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 116.236 -0.438 . . . . 73.329999999999998 109.878 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.433 ' HB2' ' HZ2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -110.88 -37.72 5.32 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.138 0.494 . . . . 74.329999999999998 110.908 178.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 32.9 t -150.51 144.16 25.17 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 109.419 -0.585 . . . . 71.239999999999995 109.419 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.9 mp -102.36 129.17 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 108.154 -1.054 . . . . 72.319999999999993 108.154 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.426 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.7 mt -93.51 113.08 27.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 121.297 0.57 . . . . 64.5 109.648 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -80.5 86.78 5.76 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.651 0.739 . . . . 73.129999999999995 110.501 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 178.04 -32.04 0.07 OUTLIER Glycine 0 C--N 1.295 -1.744 0 N-CA-C 110.144 -1.183 . . . . 63.43 110.144 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.31 40.67 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.578 -0.82 . . . . 52.210000000000001 111.617 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.12 65.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 55.219999999999999 111.058 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.11 -26.83 68.72 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.407 0.622 . . . . 75.129999999999995 110.7 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 44.3 t -77.84 -47.29 19.19 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.317 -0.856 . . . . 74.340000000000003 109.869 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -49.9 21.75 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.111 -0.495 . . . . 74.409999999999997 111.576 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.18 -43.02 29.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 111.953 0.353 . . . . 74.450000000000003 111.953 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -84.31 -43.53 6.97 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 119.823 -1.18 . . . . 73.329999999999998 114.354 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 635' ' ' ARG . 2.3 mmp_? 54.54 74.92 0.32 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.224 0.535 . . . . 64.329999999999998 111.791 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 636' ' ' LEU . 5.2 mp -92.66 -177.33 4.53 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.153 -0.476 . . . . 71.030000000000001 109.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.49 ' CG ' ' HB2' ' A' ' 640' ' ' ASP . 12.0 ptp180 -129.71 164.08 24.75 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.195 -0.669 . . . . 72.140000000000001 109.195 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.73 145.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 108.289 -1.004 . . . . 71.140000000000001 108.289 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.59 20.79 4.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.189 0.996 . . . . 72.409999999999997 110.23 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 7.4 t70 -92.23 149.82 21.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.654 -0.869 . . . . 61.039999999999999 108.654 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -93.84 125.49 38.49 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 112.733 0.642 . . . . 73.310000000000002 112.733 -172.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.5 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.8 mp -85.62 110.9 19.59 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.582 0.706 . . . . 63.509999999999998 110.26 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.4 HG22 ' CE2' ' A' ' 586' ' ' PHE . 43.8 mm -85.8 -57.03 4.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.152 -0.931 . . . . 65.150000000000006 110.518 -176.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.31 155.91 44.03 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.76 -0.655 . . . . 71.409999999999997 111.409 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 678' ' ' LEU . 12.7 p -133.5 129.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.122 -0.696 . . . . 74.319999999999993 109.122 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 47.73 36.41 5.67 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.501 0.667 . . . . 71.120000000000005 112.484 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 80.5 -1.05 83.75 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 115.211 -0.904 . . . . 53.25 115.094 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.493 ' OE1' HG23 ' A' ' 661' ' ' THR . 0.3 OUTLIER -94.71 129.82 41.47 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.329 -1.36 . . . . 50.039999999999999 107.329 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.5 m -82.02 106.28 13.8 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.534 0.683 . . . . 63.409999999999997 112.643 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.89 -28.62 44.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.774 -0.648 . . . . 73.010000000000005 109.767 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 53.4 tp -65.77 -13.57 59.65 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.749 -0.659 . . . . 52.350000000000001 111.851 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -91.51 -4.78 67.67 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.639 -0.791 . . . . 73.230000000000004 112.322 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -130.27 163.16 27.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.32 -0.252 . . . . 74.209999999999994 110.32 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.29 161.68 28.78 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.002 0.189 . . . . 73.409999999999997 110.981 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.641 ' ND2' ' HG3' ' A' ' 609' ' ' ARG . 57.5 m-20 -51.03 -48.29 61.52 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.343 0.657 . . . . 75.209999999999994 112.557 -175.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.53 -36.67 79.15 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.652 -0.704 . . . . 71.209999999999994 112.298 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.83 -38.54 76.56 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.998 -1.112 . . . . 75.230000000000004 107.998 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.55 96.82 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.132 -1.395 . . . . 60.539999999999999 110.996 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 mtt -62.22 -41.95 98.86 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.488 0.551 . . . . 71.299999999999997 112.488 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.58 -41.37 98.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.296 0.569 . . . . 72.430000000000007 109.611 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' THR . . . . . 0.493 HG23 ' OE1' ' A' ' 648' ' ' GLU . 86.4 m -71.09 -39.24 72.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.279 -0.873 . . . . 74.140000000000001 110.469 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.603 ' O ' ' HG3' ' A' ' 666' ' ' MET . 36.2 tp -59.54 -56.07 26.54 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.725 0.81 . . . . 61.009999999999998 111.687 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.88 -36.36 83.08 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.208 0.528 . . . . 74.239999999999995 110.563 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.03 -50.08 74.79 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.02 -0.991 . . . . 72.120000000000005 110.449 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 40.2 m -64.07 -34.37 77.88 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 116.439 -0.346 . . . . 64.140000000000001 110.669 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 83.5 mtp -66.55 -41.23 88.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.129 0.49 . . . . 54.539999999999999 109.8 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.9 t -78.82 -55.71 4.95 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.525 -0.761 . . . . 74.109999999999999 110.896 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 58.4 m -69.94 -54.32 13.86 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.145 -0.479 . . . . 54.43 112.081 -175.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.985 0.735 . . . . 74.25 112.985 -176.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.56 -52.11 54.87 Favored Glycine 0 C--N 1.315 -0.625 0 C-N-CA 121.222 -0.513 . . . . 74.140000000000001 112.655 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.11 -12.99 60.43 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.504 0.669 . . . . 64.519999999999996 110.672 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . 0.476 ' HZ2' ' HB2' ' A' ' 672' ' ' LYS . 4.7 ttmp? -84.01 -40.74 18.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.29 0.567 . . . . 73.120000000000005 110.702 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -90.41 -22.59 21.37 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.043 -0.526 . . . . 75.140000000000001 110.427 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.12 -29.73 10.75 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.802 -0.919 . . . . 62.340000000000003 110.802 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.7 ptm -135.44 150.72 49.92 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.962 -0.755 . . . . 73.430000000000007 108.962 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.428 HG21 ' HB ' ' A' ' 591' ' ' VAL . 7.9 tt -111.09 141.0 27.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 115.451 -0.795 . . . . 74.219999999999999 110.329 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -106.92 135.46 48.44 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.727 -0.67 . . . . 73.319999999999993 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 645' ' ' VAL . 1.7 mm? -127.78 123.7 35.88 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.878 -1.156 . . . . 55.409999999999997 107.878 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.44 HG13 ' HB ' ' A' ' 588' ' ' THR . 2.6 mp -108.57 119.74 58.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 107.291 -1.374 . . . . 73.310000000000002 107.291 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.454 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.8 m -122.59 173.25 8.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.174 -0.676 . . . . 73.400000000000006 109.174 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -137.66 126.05 23.35 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 120.892 0.377 . . . . 73.040000000000006 111.586 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -109.54 145.83 35.66 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 107.761 -1.2 . . . . 64.430000000000007 107.761 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 685' ' ' SER . 15.1 ptp180 -89.93 144.05 26.26 Favored 'General case' 0 C--N 1.274 -2.71 0 N-CA-C 108.167 -1.049 . . . . 71.409999999999997 108.167 174.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 63.3 mt -57.08 -35.23 47.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.603 -0.726 . . . . 73.140000000000001 110.964 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.532 ' O ' ' HG3' ' A' ' 683' ' ' ARG . 30.8 p -76.47 123.34 25.87 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.417 -0.81 . . . . 61.340000000000003 109.577 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.02 110.32 1.01 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.342 0.497 . . . . 71.519999999999996 112.342 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 50.6 t -135.56 108.51 7.62 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.923 -1.139 . . . . 74.430000000000007 107.923 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -131.12 148.34 52.71 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.595 -0.521 . . . . 72.219999999999999 109.595 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.316 0 N-CA-C 107.947 -1.131 . . . . 65.239999999999995 107.947 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 769' ' ' MET . . . . . 0.512 ' HA ' ' HE3' ' B' ' 769' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.224 -0.278 0 N-CA-C 109.158 -0.682 . . . . 73.430000000000007 109.158 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.89 152.22 40.86 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.964 -1.017 . . . . 73.129999999999995 109.324 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -142.6 -54.4 0.42 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.901 -0.32 . . . . 72.239999999999995 110.773 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 65.6 -166.36 0.22 Allowed 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.898 0.749 . . . . 61.450000000000003 110.546 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.8 mp 70.37 102.19 0.06 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.343 1.057 . . . . 62.329999999999998 112.194 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -98.47 -46.13 5.87 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 105.742 -1.947 . . . . 74.150000000000006 105.742 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -116.12 26.62 8.64 Favored Glycine 0 N--CA 1.408 -3.222 0 CA-C-N 114.215 -1.357 . . . . 63.32 110.718 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 59.9 m 66.57 26.55 9.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 122.256 1.027 . . . . 71.340000000000003 109.424 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.3 161.97 27.71 Favored Pre-proline 0 C--N 1.31 -1.119 0 CA-C-N 113.835 -1.53 . . . . 72.239999999999995 110.464 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -110.59 31.07 0.04 OUTLIER 'Trans proline' 0 CA--C 1.552 1.409 0 C-N-CA 123.662 2.908 . . . . 62.549999999999997 111.702 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 60.72 83.08 0.15 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.296 -0.631 . . . . 72.239999999999995 109.296 -169.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -76.73 97.3 4.44 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-N 116.428 -0.351 . . . . 75.120000000000005 110.299 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -117.74 138.41 52.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 112.892 0.701 . . . . 74.329999999999998 112.892 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 60.7 tp -140.43 134.95 31.51 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 115.349 -0.841 . . . . 73.439999999999998 110.376 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -104.14 125.81 58.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.54 -0.911 . . . . 73.519999999999996 108.54 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.402 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 19.9 pt . . . . . 0 N--CA 1.411 -2.389 0 CA-C-O 117.934 -1.032 . . . . 72.409999999999997 109.276 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.536 -1.026 . . . . 72.510000000000005 110.536 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.0 t -93.59 91.98 7.33 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 107.417 -1.327 . . . . 71.400000000000006 107.417 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.52 -40.88 2.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.776 -0.647 . . . . 65.109999999999999 110.874 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -87.03 5.57 84.92 Favored Glycine 0 C--O 1.248 0.983 0 CA-C-N 116.063 -0.517 . . . . 64.099999999999994 112.725 -177.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -65.1 142.89 58.22 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 106.926 -1.509 . . . . 73.430000000000007 106.926 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -145.18 149.45 34.99 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 118.825 -1.15 . . . . 72.400000000000006 113.93 -169.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -113.23 163.11 15.2 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.784 -1.191 . . . . 72.310000000000002 107.784 175.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.72 132.66 54.48 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.77 0.655 . . . . 75.349999999999994 112.77 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.64 140.25 51.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.217 -0.447 . . . . 72.409999999999997 109.89 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 43.0 m -116.15 122.41 44.99 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.897 -0.592 . . . . 73.099999999999994 109.936 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -125.88 141.44 51.98 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.534 -0.303 . . . . 73.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.33 127.11 54.39 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.655 0.74 . . . . 74.049999999999997 110.437 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 91.9 t -117.85 117.39 35.65 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 114.469 -1.242 . . . . 71.120000000000005 108.927 -174.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . 0.416 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 78.8 Cg_endo -77.39 145.38 23.78 Favored 'Trans proline' 0 N--CA 1.44 -1.657 0 C-N-CA 121.128 1.219 . . . . 71.409999999999997 110.139 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.15 78.87 5.6 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.906 -1.146 . . . . 71.140000000000001 107.906 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -129.22 120.87 26.49 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.331 -1.304 . . . . 75.400000000000006 111.109 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.0 t70 76.84 -37.1 0.27 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.963 1.705 . . . . 74.430000000000007 111.628 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.577 ' HB2' ' O ' ' A' ' 599' ' ' ALA . 22.6 p -78.55 100.14 6.8 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 122.226 1.012 . . . . 61.130000000000003 110.207 174.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -117.24 -32.91 1.42 Allowed Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 113.872 -1.513 . . . . 72.439999999999998 110.661 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.7 p -77.07 -21.19 54.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.259 1.028 . . . . 72.340000000000003 109.643 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 596' ' ' SER . . . -137.23 137.12 38.74 Favored 'General case' 0 N--CA 1.393 -3.283 0 N-CA-C 104.763 -2.31 . . . . 63.119999999999997 104.763 174.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -68.15 -57.32 8.66 Favored Glycine 0 C--N 1.283 -2.373 0 N-CA-C 110.359 -1.096 . . . . 51.549999999999997 110.359 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.55 ' CD1' ' HE2' ' A' ' 666' ' ' MET . 7.0 mp -109.95 -27.65 9.13 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 109.019 -0.734 . . . . 72.510000000000005 109.019 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.461 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 78.09 52.65 5.2 Favored Glycine 0 N--CA 1.399 -3.788 0 N-CA-C 109.802 -1.319 . . . . 63.149999999999999 109.802 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.3 152.25 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.32 0 N-CA-C 106.209 -1.774 . . . . 74.140000000000001 106.209 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 30.6 m -114.13 133.12 55.78 Favored 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 106.944 -1.502 . . . . 75.030000000000001 106.944 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.412 HG12 ' CD2' ' A' ' 642' ' ' LEU . 1.8 m -124.33 161.68 27.03 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.753 0 CA-C-N 116.099 -0.5 . . . . 75.409999999999997 111.663 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.37 154.37 37.65 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.33 -0.85 . . . . 62.229999999999997 109.239 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.17 126.27 8.6 Favored Glycine 0 C--N 1.288 -2.118 0 C-N-CA 118.874 -1.632 . . . . 64.430000000000007 112.605 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -95.48 130.52 42.28 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 106.649 -1.612 . . . . 54.030000000000001 106.649 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -134.44 134.23 41.37 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 116.586 -0.279 . . . . 75.239999999999995 111.459 -175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.5 m -81.52 95.19 7.04 Favored 'General case' 0 N--CA 1.426 -1.625 0 N-CA-C 107.24 -1.393 . . . . 75.540000000000006 107.24 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.515 ' HB2' ' HZ2' ' A' ' 611' ' ' LYS . 10.0 mtmp? -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.781 0.66 . . . . 75.219999999999999 112.781 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.45 -42.73 92.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.302 0.572 . . . . 64.019999999999996 110.39 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -74.49 -22.18 59.2 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.626 -0.715 . . . . 72.120000000000005 110.416 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.7 m80 69.09 25.94 5.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.655 1.182 . . . . 70.030000000000001 111.709 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -130.83 153.38 49.15 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.879 -0.786 . . . . 55.130000000000003 108.879 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.73 157.7 17.28 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 121.118 0.485 . . . . 75.530000000000001 110.334 -176.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.8 mt -98.48 -7.28 28.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.081 -1.081 . . . . 75.319999999999993 108.081 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 109.01 -171.96 15.9 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.47 -1.241 . . . . 75.310000000000002 111.835 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.1 mm -97.42 131.04 45.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.249 -1.019 . . . . 71.200000000000003 108.249 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -122.42 146.04 47.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 110.083 -0.34 . . . . 70.430000000000007 110.083 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.45 128.19 27.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.77 -0.456 . . . . 72.519999999999996 109.77 172.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -98.95 -44.06 6.47 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 116.302 -0.408 . . . . 74.439999999999998 110.637 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 29.5 t -150.13 146.37 26.86 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 109.251 -0.648 . . . . 72.409999999999997 109.251 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.33 138.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.681 -0.859 . . . . 72.530000000000001 108.681 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -98.29 117.04 42.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.981 -0.748 . . . . 72.25 108.981 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -66.62 131.31 45.72 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.971 -0.559 . . . . 70.540000000000006 110.063 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.86 -23.98 22.6 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 110.923 -0.871 . . . . 62.229999999999997 110.923 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -69.27 144.09 40.36 Favored Glycine 0 N--CA 1.434 -1.489 0 C-N-CA 120.877 -0.677 . . . . 73.230000000000004 111.903 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.4 76.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.367 0.267 . . . . 73.109999999999999 111.657 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -65.8 -26.43 67.69 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.119 0.485 . . . . 75.140000000000001 111.034 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 36.3 t -76.16 -48.38 20.77 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.652 -0.869 . . . . 73.519999999999996 108.652 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.91 -52.13 39.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.76 -0.654 . . . . 54.130000000000003 111.338 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.43 -51.61 9.15 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.571 0.952 . . . . 74.430000000000007 113.571 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.14 -42.25 9.61 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.795 -0.717 . . . . 65.450000000000003 114.876 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 65.35 33.96 8.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.104 0.452 . . . . 73.319999999999993 111.611 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.82 160.07 18.18 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.886 0.374 . . . . 63.240000000000002 110.625 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.496 ' HE ' ' CG ' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -114.0 179.52 3.93 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.664 -0.815 . . . . 71.140000000000001 112.273 -176.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.2 t -81.13 141.66 14.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 108.435 -0.95 . . . . 74.0 108.435 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 67.9 31.76 5.52 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 122.985 1.374 . . . . 74.430000000000007 107.727 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.496 ' CG ' ' HE ' ' A' ' 637' ' ' ARG . 22.5 t0 -92.07 125.62 36.83 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.106 -1.812 . . . . 75.25 106.106 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.61 116.58 29.09 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.248 0.547 . . . . 63.020000000000003 111.182 -170.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.5 mp -74.1 109.8 7.88 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 123.933 0.893 . . . . 73.099999999999994 111.178 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.57 -56.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 124.013 0.925 . . . . 75.430000000000007 111.042 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.89 146.03 40.64 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 114.837 -1.074 . . . . 64.219999999999999 108.757 -176.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 8.5 p -130.67 136.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.811 -0.44 . . . . 72.420000000000002 109.811 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.408 ' HB3' ' HG3' ' A' ' 669' ' ' GLU . 17.8 m120 62.3 16.19 8.26 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.181 0.992 . . . . 75.549999999999997 111.626 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.24 -5.24 67.93 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.462 -0.79 . . . . 74.329999999999998 111.51 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.92 127.38 47.42 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.043 0.449 . . . . 71.510000000000005 110.125 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.2 p -81.51 134.74 35.56 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.738 -0.664 . . . . 54.5 110.613 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -135.54 5.3 3.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 120.777 -0.369 . . . . 70.140000000000001 111.283 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.19 95.26 2.07 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 121.091 0.472 . . . . 65.230000000000004 110.178 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 149.28 38.87 0.04 OUTLIER Glycine 0 C--N 1.304 -1.225 0 CA-C-N 115.242 -0.89 . . . . 74.299999999999997 111.885 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 653' ' ' LYS . 0.3 OUTLIER -148.25 177.07 9.72 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.899 -0.778 . . . . 63.229999999999997 108.899 179.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -68.97 158.94 33.69 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.94 -0.304 . . . . 51.200000000000003 110.669 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.5 m120 -64.31 -40.82 96.7 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 116.291 -0.413 . . . . 75.409999999999997 111.19 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.577 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -66.37 -41.04 90.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 72.420000000000002 110.051 178.445 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . 0.445 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 21.4 mm-40 -60.21 -46.0 91.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.378 -0.828 . . . . 72.120000000000005 109.12 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -59.47 -40.89 88.39 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 114.803 -1.09 . . . . 74.209999999999994 110.741 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 63.2 mtt -59.98 -44.44 94.47 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.465 -0.334 . . . . 74.510000000000005 111.606 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.54 -37.99 86.17 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 120.542 -0.463 . . . . 65.209999999999994 110.574 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 49.8 m -63.13 -40.06 96.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 109.602 -0.518 . . . . 61.009999999999998 109.602 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.697 ' O ' ' HG3' ' A' ' 666' ' ' MET . 93.7 mt -62.69 -57.47 10.9 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.006 -0.368 . . . . 73.140000000000001 110.006 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 659' ' ' MET . 64.2 mtp180 -59.14 -41.46 88.33 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.571 0.544 . . . . 75.150000000000006 110.874 -175.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -40.53 92.97 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.733 -0.667 . . . . 75.329999999999998 112.627 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 48.8 m -70.42 -30.89 67.87 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.715 -0.794 . . . . 75.430000000000007 110.065 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.697 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.7 mtp -67.22 -41.56 85.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.661 . . . . 74.219999999999999 109.214 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.2 t -77.64 -52.33 9.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.933 -1.03 . . . . 72.209999999999994 110.951 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.7 m -69.88 -59.31 3.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.083 0.468 . . . . 74.299999999999997 111.43 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . 0.408 ' HG3' ' HB3' ' A' ' 646' ' ' ASN . 1.1 tm-20 -79.15 -41.57 28.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.15 -0.477 . . . . 73.25 109.954 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.5 -21.88 55.32 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 116.22 -0.445 . . . . 63.32 113.454 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -82.27 -27.47 32.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 74.120000000000005 109.968 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -72.15 -63.49 1.13 Allowed 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.061 -0.518 . . . . 73.209999999999994 111.186 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.59 -20.74 27.45 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.616 -0.434 . . . . 74.099999999999994 112.057 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.36 0.84 82.04 Favored Glycine 0 C--N 1.311 -0.837 0 C-N-CA 119.911 -1.138 . . . . 73.019999999999996 111.471 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' MET . . . . . 0.416 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 26.2 ptt? -141.57 155.71 45.75 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 109.989 -0.374 . . . . 74.209999999999994 109.989 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.455 HD13 HD11 ' A' ' 601' ' ' LEU . 9.6 tt -117.63 140.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.263 0 CA-C-N 115.101 -0.954 . . . . 71.209999999999994 109.688 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -108.07 132.3 53.71 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.72 -0.474 . . . . 65.030000000000001 109.72 -178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.5 mm? -121.17 123.74 43.01 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 109.279 -0.638 . . . . 74.030000000000001 109.279 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 91.6 mt -108.14 115.18 48.47 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.418 -1.697 . . . . 74.219999999999999 106.418 174.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.85 152.54 29.31 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.102 0 CA-C-N 115.21 -0.905 . . . . 61.200000000000003 111.291 -174.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.85 132.83 54.45 Favored 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 107.653 -1.24 . . . . 53.229999999999997 107.653 176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.456 ' HG3' ' HD2' ' A' ' 637' ' ' ARG . 51.6 ttt180 -107.98 127.18 53.53 Favored 'General case' 0 C--N 1.256 -3.496 0 N-CA-C 107.862 -1.162 . . . . 74.540000000000006 107.862 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 128.13 33.84 Favored 'General case' 0 N--CA 1.411 -2.422 0 C-N-CA 117.702 -1.599 . . . . 75.349999999999994 109.364 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 18.5 pt -109.49 105.51 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.571 0 CA-C-O 122.393 1.092 . . . . 74.530000000000001 110.175 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 32.4 m -93.75 142.12 27.72 Favored 'General case' 0 C--N 1.265 -3.105 0 CA-C-N 114.535 -1.212 . . . . 72.049999999999997 108.334 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -83.46 75.11 10.03 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.454 -0.898 . . . . 73.349999999999994 109.045 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.89 153.48 0.52 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.167 -1.42 . . . . 72.340000000000003 107.167 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -82.15 129.84 34.93 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.218 -1.401 . . . . 75.329999999999998 107.218 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.688 -0.116 . . . . 74.120000000000005 110.688 -179.154 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 CA--C 1.514 -0.416 0 CA-C-O 121.541 0.686 . . . . 61.409999999999997 109.712 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 95.0 mt -123.21 95.75 4.73 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.22 -0.9 . . . . 63.049999999999997 109.077 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -115.45 84.74 2.15 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 121.426 0.632 . . . . 63.420000000000002 109.97 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.84 123.3 19.59 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.618 -0.719 . . . . 73.340000000000003 111.735 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . 0.424 HD23 ' H ' ' B' ' 777' ' ' ASP . 5.0 mp -125.77 -169.85 2.08 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.462 -1.681 . . . . 74.439999999999998 106.462 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . 0.421 ' HB3' ' OD1' ' B' ' 777' ' ' ASP . 67.7 t80 -92.18 -44.4 8.81 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.745 -1.946 . . . . 71.340000000000003 105.745 177.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -157.95 -52.9 0.01 OUTLIER Glycine 0 N--CA 1.427 -1.953 0 CA-C-N 114.737 -1.119 . . . . 62.299999999999997 110.4 170.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 50.5 m -162.65 85.23 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.217 -2.142 . . . . 73.25 105.217 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . 0.424 ' H ' HD23 ' B' ' 773' ' ' LEU . 6.8 m-20 -143.02 161.23 49.53 Favored Pre-proline 0 C--N 1.307 -1.269 0 N-CA-C 108.742 -0.836 . . . . 73.230000000000004 108.742 -169.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.9 8.21 3.57 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.421 2.081 . . . . 63.140000000000001 111.947 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 66.78 86.3 0.13 Allowed 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 124.522 1.129 . . . . 71.120000000000005 109.555 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -90.59 94.42 9.69 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.049 0.928 . . . . 65.319999999999993 112.824 -174.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -133.17 149.28 52.06 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.086 1.754 . . . . 71.329999999999998 107.637 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.23 133.12 21.23 Favored 'General case' 0 N--CA 1.41 -2.447 0 N-CA-C 107.81 -1.181 . . . . 74.129999999999995 107.81 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.24 128.71 56.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 108.9 -0.778 . . . . 75.349999999999994 108.9 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 18.3 pt . . . . . 0 N--CA 1.411 -2.397 0 CA-C-O 117.864 -1.065 . . . . 72.239999999999995 111.286 -179.387 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.991 0 N-CA-C 110.713 -0.955 . . . . 65.209999999999994 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.6 m 65.07 19.45 11.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.692 0.797 . . . . 65.349999999999994 111.761 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.86 -32.52 73.85 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.132 -1.062 . . . . 71.409999999999997 108.132 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -164.72 80.79 0.12 Allowed Glycine 0 N--CA 1.424 -2.161 0 N-CA-C 108.49 -1.844 . . . . 61.5 108.49 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 56.4 m -53.74 121.87 8.75 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.288 0.635 . . . . 73.519999999999996 111.681 -174.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.73 151.78 39.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.299 -0.409 . . . . 72.310000000000002 110.513 -177.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -117.15 153.45 32.78 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.262 -1.014 . . . . 73.239999999999995 108.262 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 643' ' ' ILE . 10.9 m-30 -92.71 131.33 37.88 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.024 0.44 . . . . 71.150000000000006 111.549 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 94.4 mt -114.12 132.08 56.18 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.131 . . . . 73.310000000000002 107.948 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 68.9 m -113.13 121.43 44.53 Favored 'General case' 0 C--N 1.265 -3.089 0 CA-C-N 115.799 -0.637 . . . . 70.0 109.711 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.96 132.67 56.09 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.771 -0.825 . . . . 72.439999999999998 108.771 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -112.8 132.32 55.31 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.205 -0.598 . . . . 61.420000000000002 109.798 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.14 117.52 26.92 Favored Pre-proline 0 C--N 1.285 -2.239 0 N-CA-C 108.474 -0.936 . . . . 75.319999999999993 108.474 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . 0.422 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 91.6 Cg_endo -80.78 147.21 17.03 Favored 'Trans proline' 0 N--CA 1.43 -2.228 0 C-N-CA 121.002 1.134 . . . . 74.329999999999998 111.456 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 65.93 5.46 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-O 122.701 1.238 . . . . 65.329999999999998 107.882 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -111.03 -72.79 0.7 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 112.991 -1.913 . . . . 72.319999999999993 109.434 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.84 77.28 3.21 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.668 -1.234 . . . . 73.450000000000003 107.668 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 47.7 p -153.44 110.23 3.41 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 113.349 -1.75 . . . . 62.450000000000003 108.657 -175.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -144.78 -35.22 0.07 OUTLIER Glycine 0 N--CA 1.417 -2.594 0 N-CA-C 110.648 -0.981 . . . . 70.040000000000006 110.648 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 39.8 p -86.66 -18.14 32.04 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.48 0.657 . . . . 71.400000000000006 109.991 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -150.99 177.83 9.77 Favored 'General case' 0 N--CA 1.406 -2.632 0 N-CA-C 106.887 -1.523 . . . . 60.439999999999998 106.887 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -90.7 -50.63 2.86 Favored Glycine 0 C--N 1.283 -2.4 0 N-CA-C 109.701 -1.359 . . . . 52.43 109.701 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.75 -39.26 4.05 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.591 -0.892 . . . . 75.430000000000007 108.591 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 93.57 48.73 2.69 Favored Glycine 1 N--CA 1.393 -4.21 0 N-CA-C 109.518 -1.433 . . . . 61.520000000000003 109.518 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.6 152.46 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.6 -1.259 . . . . 74.200000000000003 107.6 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 25.0 m -116.24 131.29 56.98 Favored 'General case' 0 N--CA 1.406 -2.675 0 N-CA-C 107.492 -1.299 . . . . 74.209999999999994 107.492 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.454 HG12 ' CD2' ' A' ' 642' ' ' LEU . 2.9 m -124.89 153.33 31.87 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.313 0 CA-C-O 121.413 0.625 . . . . 72.200000000000003 111.218 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -150.54 155.42 39.42 Favored 'General case' 0 C--N 1.268 -2.948 0 CA-C-N 115.218 -0.901 . . . . 50.109999999999999 108.597 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -102.54 128.25 9.48 Favored Glycine 0 C--N 1.281 -2.499 0 C-N-CA 118.694 -1.717 . . . . 74.120000000000005 110.905 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.431 HD21 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -94.07 123.15 37.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 106.364 -1.717 . . . . 73.150000000000006 106.364 -179.087 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.431 ' N ' HD21 ' A' ' 608' ' ' ASN . 35.0 ttm180 -116.05 142.3 46.98 Favored 'General case' 0 C--N 1.275 -2.672 0 N-CA-C 108.408 -0.96 . . . . 74.310000000000002 108.408 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 44.8 m -67.56 118.35 10.75 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.934 -1.135 . . . . 73.430000000000007 107.934 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.405 ' HZ1' ' CD ' ' B' ' 772' ' ' GLU . 40.3 ttmt -48.38 -69.64 0.11 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 114.39 1.256 . . . . 74.409999999999997 114.39 -172.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -91.22 -21.69 20.99 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 120.016 -0.674 . . . . 70.340000000000003 111.56 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.91 -23.18 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 71.200000000000003 109.384 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.0 m80 63.81 14.4 8.26 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.676 1.362 . . . . 65.519999999999996 114.676 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -97.87 146.35 25.52 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.04 -1.096 . . . . 73.109999999999999 108.04 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -82.57 148.13 28.22 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 120.46 -0.496 . . . . 64.420000000000002 110.384 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -95.99 -7.62 35.91 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.342 -1.355 . . . . 64.129999999999995 107.342 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 113.11 -178.42 18.67 Favored Glycine 0 C--O 1.244 0.768 0 CA-C-N 114.28 -1.327 . . . . 63.119999999999997 112.127 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . 0.443 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.9 mm -92.09 126.15 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 107.865 -1.161 . . . . 73.150000000000006 107.865 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.2 m-85 -118.97 148.08 43.36 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.442 0.639 . . . . 63.009999999999998 111.465 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.429 ' HA ' HG11 ' A' ' 605' ' ' VAL . 67.3 t -72.57 118.05 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 107.968 -1.123 . . . . 73.150000000000006 107.968 172.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.585 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -93.76 -44.53 8.1 Favored 'General case' 0 C--N 1.273 -2.726 0 CA-C-N 115.622 -0.717 . . . . 74.0 111.103 -178.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 15.8 m -148.78 135.96 20.13 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 115.736 -0.665 . . . . 65.010000000000005 109.326 -174.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.04 135.7 27.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 107.62 -1.252 . . . . 74.430000000000007 107.62 172.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.0 mt -84.12 111.51 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 N-CA-C 107.134 -1.432 . . . . 72.209999999999994 107.134 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.16 108.7 3.71 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.087 -0.96 . . . . 74.150000000000006 110.689 -174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 130.78 -16.58 5.31 Favored Glycine 0 N--CA 1.431 -1.64 0 CA-C-N 115.22 -0.9 . . . . 60.25 111.369 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -76.14 166.3 54.32 Favored Glycine 0 C--O 1.241 0.544 0 C-N-CA 120.623 -0.799 . . . . 72.230000000000004 111.947 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.56 78.64 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 122.647 -0.325 . . . . 61.210000000000001 111.666 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.47 -26.53 62.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.412 0.625 . . . . 42.43 109.797 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 30.5 t -69.32 -53.19 20.92 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.775 -1.102 . . . . 75.450000000000003 109.456 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -75.65 -51.29 13.13 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 114.896 1.443 . . . . 71.310000000000002 114.896 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.94 -52.55 7.33 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.313 0.857 . . . . 71.219999999999999 113.313 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -75.19 -40.87 33.04 Favored Glycine 0 CA--C 1.501 -0.842 0 CA-C-N 115.554 -0.748 . . . . 43.140000000000001 113.824 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 56.19 80.4 0.15 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.453 1.101 . . . . 60.329999999999998 112.01 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.13 162.23 28.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.816 0.817 . . . . 72.329999999999998 112.769 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.468 ' HD3' ' OD1' ' A' ' 640' ' ' ASP . 6.2 ptm180 -110.64 -9.63 14.52 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 115.832 1.79 . . . . 64.549999999999997 115.832 -164.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . 0.41 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 68.9 t 71.15 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 123.468 0.707 . . . . 64.120000000000005 112.691 175.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 61.83 32.39 18.08 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.668 -2.345 . . . . 74.109999999999999 104.668 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.508 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.4 t0 -98.66 130.12 45.16 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 111.98 -2.373 . . . . 70.230000000000004 109.28 -173.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -88.54 120.8 30.26 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 112.424 0.527 . . . . 72.230000000000004 112.424 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 605' ' ' VAL . 7.5 mp -78.31 117.63 19.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.455 0.645 . . . . 75.219999999999999 110.571 177.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 651' ' ' LEU . 45.1 mm -95.33 -56.22 5.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 CA-C-N 115.275 -0.875 . . . . 63.25 109.895 -176.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.401 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -143.26 155.49 44.51 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 114.87 -1.059 . . . . 73.329999999999998 110.186 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 13.5 p -136.41 131.51 48.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 109.128 -0.693 . . . . 74.519999999999996 109.128 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.31 28.74 4.49 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.125 0.787 . . . . 73.329999999999998 113.125 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.75 -19.6 51.9 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 120.808 -0.711 . . . . 71.420000000000002 113.618 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -86.77 126.18 34.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.965 -0.754 . . . . 74.150000000000006 108.965 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.5 t -90.57 146.3 24.18 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 120.714 0.292 . . . . 73.319999999999993 110.294 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 1.5 pp -133.39 5.19 3.74 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 113.551 0.945 . . . . 65.010000000000005 113.551 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 643' ' ' ILE . 4.9 tt -73.17 101.11 3.24 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.41 -0.959 . . . . 72.400000000000006 108.41 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 153.07 -29.58 0.8 Allowed Glycine 0 C--N 1.292 -1.904 0 N-CA-C 110.368 -1.093 . . . . 73.409999999999997 110.368 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . 0.557 ' HB3' ' HZ3' ' A' ' 653' ' ' LYS . 0.4 OUTLIER -90.68 169.04 11.32 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 109.074 -0.713 . . . . 73.530000000000001 109.074 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.0 167.84 20.53 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 116.304 -0.407 . . . . 72.400000000000006 111.301 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -53.15 -42.1 65.77 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.358 0.663 . . . . 73.239999999999995 111.681 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.602 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -63.89 -51.47 64.39 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.597 -0.729 . . . . 64.329999999999998 110.224 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.39 -39.94 95.86 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.167 -0.924 . . . . 72.129999999999995 109.701 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.56 88.24 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 115.046 -0.979 . . . . 75.109999999999999 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.468 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.1 mtt -62.65 -40.42 96.97 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 120.093 -0.643 . . . . 41.130000000000003 111.831 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.0 mt-10 -59.32 -45.49 91.19 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.032 0.444 . . . . 73.299999999999997 110.154 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 62.2 m -65.83 -48.36 71.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.274 -0.876 . . . . 64.120000000000005 109.555 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.1 -50.64 72.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.297 -0.865 . . . . 63.130000000000003 111.721 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 659' ' ' MET . 92.8 mtt180 -55.03 -47.33 74.9 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.379 0.424 . . . . 74.420000000000002 110.38 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.54 -51.13 66.77 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.59 -0.732 . . . . 74.319999999999993 111.582 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 34.7 m -71.84 -35.34 69.85 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 120.514 -0.475 . . . . 64.219999999999999 111.675 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.533 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 4.1 ppp? -74.94 -32.59 61.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.19 -0.604 . . . . 64.109999999999999 110.801 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 37.5 t -85.25 -53.0 5.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.25 -0.432 . . . . 74.010000000000005 110.115 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 95.5 m -66.05 -54.85 20.71 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.424 -0.353 . . . . 75.230000000000004 111.802 -176.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -90.48 -22.51 21.34 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.907 1.077 . . . . 53.340000000000003 113.907 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.86 -56.89 22.26 Favored Glycine 0 C--N 1.318 -0.438 0 C-N-CA 120.711 -0.757 . . . . 61.140000000000001 112.119 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.57 -21.68 60.28 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 122.685 -0.303 . . . . 74.450000000000003 111.81 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.83 -47.77 61.49 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.186 0.517 . . . . 61.119999999999997 110.534 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -77.38 -31.7 54.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.626 0.727 . . . . 72.040000000000006 109.969 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 102.65 -13.84 56.45 Favored Glycine 0 CA--C 1.502 -0.737 0 N-CA-C 110.308 -1.117 . . . . 71.510000000000005 110.308 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' MET . . . . . 0.422 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 21.9 ptp -148.24 154.58 40.26 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 109.183 -0.673 . . . . 45.109999999999999 109.183 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . . . . . . . . . 7.3 tt -119.43 140.76 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.56 0 CA-C-N 115.146 -0.934 . . . . 74.329999999999998 110.736 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.5 132.62 51.44 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.978 -0.555 . . . . 73.530000000000001 109.888 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.5 mm? -121.8 124.06 43.26 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.972 -0.751 . . . . 74.319999999999993 108.972 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 98.2 mt -110.02 115.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 N-CA-C 108.082 -1.081 . . . . 71.439999999999998 108.082 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.31 165.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 CA-C-N 114.554 -1.203 . . . . 70.430000000000007 109.452 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.66 139.08 52.09 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.612 0.72 . . . . 62.219999999999999 111.725 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.432 ' HA ' ' NH1' ' A' ' 637' ' ' ARG . 35.2 ttt180 -107.68 121.9 45.63 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 107.356 -1.35 . . . . 75.019999999999996 107.356 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -79.53 123.62 27.74 Favored 'General case' 0 C--N 1.285 -2.199 0 C-N-CA 119.263 -0.975 . . . . 74.400000000000006 109.272 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 62.1 mt -83.48 -29.61 7.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.188 -1.412 . . . . 62.43 107.188 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 24.8 m -82.62 97.39 8.47 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 113.83 -1.532 . . . . 71.019999999999996 107.555 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -134.21 147.6 50.74 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.391 -0.966 . . . . 74.010000000000005 108.391 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.47 150.57 21.75 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.88 -1.156 . . . . 63.030000000000001 107.88 174.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -59.34 114.42 2.66 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 121.056 0.455 . . . . 64.299999999999997 110.786 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.764 -0.653 . . . . 62.509999999999998 110.531 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 109.321 -0.622 . . . . 73.409999999999997 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' B' ' 773' ' ' LEU . 98.3 mt -117.02 156.25 27.82 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 116.106 -0.497 . . . . 65.120000000000005 110.731 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -80.65 -63.48 1.4 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.354 -0.385 . . . . 51.539999999999999 111.632 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . 0.405 ' CD ' ' HZ1' ' A' ' 611' ' ' LYS . 11.1 pt-20 -161.21 -38.52 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.544 0.572 . . . . 74.049999999999997 112.544 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' B' ' 770' ' ' LEU . 3.1 mm? 62.2 43.16 8.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.466 -0.788 . . . . 74.099999999999994 110.863 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -122.37 14.5 10.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.671 -1.233 . . . . 73.549999999999997 107.671 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 123.83 48.2 0.23 Allowed Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.989 -1.005 . . . . 65.109999999999999 111.841 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 37.3 t -142.87 124.51 14.93 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 106.984 -1.487 . . . . 74.219999999999999 106.984 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -45.38 103.91 0.37 Allowed Pre-proline 0 N--CA 1.472 0.651 0 O-C-N 124.932 1.395 . . . . 74.200000000000003 113.637 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.63 -48.43 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.664 2.243 . . . . 65.099999999999994 110.669 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -166.2 67.2 0.11 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 114.703 -1.135 . . . . 73.420000000000002 108.617 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -123.48 75.13 1.3 Allowed 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.541 1.163 . . . . 70.349999999999994 107.883 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.585 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 25.8 mt-10 -134.08 141.56 47.21 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 112.637 -2.074 . . . . 71.129999999999995 108.27 -173.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 35.6 tp -125.02 126.47 45.47 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 115.992 -0.549 . . . . 74.120000000000005 109.684 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -100.7 126.34 54.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 N-CA-C 109.001 -0.74 . . . . 74.439999999999998 109.001 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.533 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 27.2 pt . . . . . 0 N--CA 1.414 -2.264 0 CA-C-O 118.676 -0.678 . . . . 62.420000000000002 110.184 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.614 0 N-CA-C 111.132 -0.787 . . . . 62.32 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.7 p -72.91 -17.82 61.47 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.152 0.501 . . . . 64.409999999999997 111.513 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.94 -12.68 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 73.200000000000003 109.733 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -125.64 40.27 1.88 Allowed Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 120.593 -0.813 . . . . 54.340000000000003 111.835 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 26.6 m -85.94 -38.12 18.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.583 -1.266 . . . . 65.420000000000002 107.583 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -145.11 153.91 41.91 Favored 'General case' 0 N--CA 1.42 -1.952 0 CA-C-N 114.936 -1.029 . . . . 75.239999999999995 109.405 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 19.9 mm-40 -108.38 134.72 50.79 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 110.028 -0.36 . . . . 63.039999999999999 110.028 -174.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . 0.415 ' C ' HD13 ' A' ' 587' ' ' LEU . 89.4 m-85 -100.66 122.72 43.78 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.214 -0.903 . . . . 74.5 110.198 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 586' ' ' PHE . 5.9 mp -122.09 137.12 54.93 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 108.458 -0.941 . . . . 74.299999999999997 108.458 178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 45.4 m -109.48 127.72 54.64 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 115.833 -0.621 . . . . 70.510000000000005 109.836 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -123.96 135.65 53.8 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.428 -0.805 . . . . 74.150000000000006 109.566 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.64 134.35 53.27 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.461 -0.941 . . . . 72.049999999999997 108.461 175.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.416 ' HB ' HG21 ' A' ' 676' ' ' ILE . 84.9 t -126.05 117.76 23.81 Favored Pre-proline 0 C--N 1.285 -2.205 0 CA-C-N 115.918 -0.583 . . . . 61.539999999999999 109.617 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.82 148.1 31.8 Favored 'Trans proline' 0 N--CA 1.44 -1.648 0 C-N-CA 121.279 1.319 . . . . 74.439999999999998 110.461 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.38 82.87 5.47 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.715 0.769 . . . . 74.230000000000004 110.248 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -76.52 -160.85 0.16 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.997 -1.456 . . . . 74.430000000000007 111.317 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -78.12 74.9 4.66 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 121.825 0.821 . . . . 73.25 110.737 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.1 p -110.12 -77.75 0.59 Allowed 'General case' 0 N--CA 1.402 -2.868 0 CA-C-N 114.059 -1.428 . . . . 63.100000000000001 109.312 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 72.91 -63.56 1.59 Allowed Glycine 0 C--N 1.314 -0.654 0 C-N-CA 121.103 -0.57 . . . . 71.310000000000002 112.342 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.5 p -72.41 -28.53 63.03 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.459 0.647 . . . . 74.239999999999995 109.948 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.417 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -116.59 164.54 14.44 Favored 'General case' 1 N--CA 1.372 -4.349 0 N-CA-C 105.227 -2.138 . . . . 75.340000000000003 105.227 169.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -99.44 -62.52 0.83 Allowed Glycine 1 C--N 1.243 -4.62 0 N-CA-C 107.976 -2.05 . . . . 55.009999999999998 107.976 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.47 -30.76 10.34 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.983 -1.108 . . . . 65.109999999999999 108.093 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.518 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 83.32 53.79 3.34 Favored Glycine 0 N--CA 1.406 -3.348 0 N-CA-C 109.487 -1.445 . . . . 74.209999999999994 109.487 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.0 t -136.17 153.25 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 106.649 -1.611 . . . . 64.319999999999993 106.649 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.9 m -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.826 -1.175 . . . . 51.240000000000002 107.826 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 642' ' ' LEU . 6.6 m -124.4 159.93 29.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 O-C-N 123.546 0.529 . . . . 75.340000000000003 111.16 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.45 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 62.6 pttt -150.08 155.14 39.33 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-N 115.458 -0.792 . . . . 74.329999999999998 109.104 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -103.71 125.69 8.52 Favored Glycine 0 C--N 1.282 -2.444 0 C-N-CA 118.762 -1.685 . . . . 70.409999999999997 111.505 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.499 HD21 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -94.75 130.13 41.4 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.017 -1.475 . . . . 72.230000000000004 107.017 -179.01 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.499 ' N ' HD21 ' A' ' 608' ' ' ASN . 17.3 ttp180 -133.75 129.86 37.25 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 120.963 0.411 . . . . 74.129999999999995 111.157 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 613' ' ' ASN . 49.7 m -86.92 114.75 23.82 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.342 -0.845 . . . . 73.340000000000003 108.741 178.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -80.61 -36.13 33.16 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 116.059 -0.519 . . . . 65.340000000000003 111.291 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -34.69 62.6 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.509 0.671 . . . . 71.129999999999995 109.381 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 610' ' ' SER . 33.3 m-80 -76.47 -21.08 56.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.189 -0.914 . . . . 74.319999999999993 110.858 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.9 m80 61.39 35.68 17.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.742 0.782 . . . . 64.530000000000001 109.782 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -146.46 141.69 27.36 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.196 -0.911 . . . . 72.0 109.877 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.2 p-10 -79.07 153.11 30.44 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.772 -0.455 . . . . 75.310000000000002 109.772 176.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.53 -5.25 27.19 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.417 -0.957 . . . . 63.439999999999998 108.417 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.52 -166.39 15.08 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.633 -1.167 . . . . 71.430000000000007 112.164 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.9 mm -98.25 133.69 39.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.445 -0.946 . . . . 74.400000000000006 108.445 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 88.4 m-85 -127.59 152.84 47.13 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 122.51 0.324 . . . . 75.340000000000003 110.944 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.06 136.75 24.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.799 -0.637 . . . . 73.120000000000005 109.51 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.453 ' HZ3' ' HB2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -116.57 -35.14 4.32 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.04 0.447 . . . . 73.310000000000002 111.682 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 48.5 m -148.75 138.92 22.34 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.555 -0.293 . . . . 62.229999999999997 110.425 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.28 128.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 108.147 -1.057 . . . . 73.230000000000004 108.147 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.518 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 68.6 mt -90.83 113.92 27.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 109.539 -0.541 . . . . 74.200000000000003 109.539 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -61.5 126.84 28.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.319 -0.855 . . . . 71.420000000000002 109.408 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.79 -22.66 25.52 Favored Glycine 0 C--N 1.303 -1.3 0 N-CA-C 111.038 -0.825 . . . . 74.230000000000004 111.038 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -65.25 153.89 50.47 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.555 -0.322 . . . . 72.299999999999997 112.705 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.946 0.403 . . . . 74.200000000000003 111.121 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.01 -26.8 63.28 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.572 0.701 . . . . 64.519999999999996 109.342 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.0 m -73.31 -51.82 16.15 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 114.414 -1.266 . . . . 63.509999999999998 110.005 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.48 -52.87 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.275 0.472 . . . . 54.210000000000001 112.275 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.52 -51.04 9.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.968 0.729 . . . . 74.120000000000005 112.968 -171.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.65 7.84 Favored Glycine 0 C--N 1.318 -0.43 0 C-N-CA 120.487 -0.863 . . . . 54.140000000000001 114.095 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 68.38 82.77 0.17 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.951 0.882 . . . . 74.120000000000005 110.781 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.51 163.98 12.08 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.09 -0.959 . . . . 74.230000000000004 111.411 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.469 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 9.5 ptt-85 -112.4 163.1 14.82 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.318 -1.31 . . . . 63.100000000000001 111.255 -175.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 47.8 t -81.32 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.122 -0.944 . . . . 72.409999999999997 109.157 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . 0.672 ' OD1' ' HD2' ' A' ' 686' ' ' ARG . 2.3 t-20 73.33 18.24 3.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.172 1.389 . . . . 73.409999999999997 112.092 176.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.83 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 11.9 t70 -81.1 153.14 27.47 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.383 -1.71 . . . . 74.129999999999995 106.383 173.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . 0.418 ' HB2' ' CE2' ' A' ' 620' ' ' PHE . 0.1 OUTLIER -105.47 115.92 31.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 118.525 0.602 . . . . 64.219999999999999 109.638 -174.425 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.7 mp -72.64 118.32 15.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.558 0.694 . . . . 61.43 111.668 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.7 mm -95.06 -62.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.092 -0.958 . . . . 71.349999999999994 111.744 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -132.97 140.73 47.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 115.675 -0.693 . . . . 64.109999999999999 110.958 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.478 HG23 ' CD2' ' A' ' 662' ' ' LEU . 32.8 t -125.08 119.05 54.74 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 N-CA-C 107.741 -1.207 . . . . 72.129999999999995 107.741 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 49.91 44.48 25.33 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.391 0.615 . . . . 43.140000000000001 111.351 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 73.24 0.09 50.75 Favored Glycine 0 CA--C 1.541 1.67 0 CA-C-N 115.192 -0.913 . . . . 73.420000000000002 114.479 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.87 127.1 41.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.362 0.581 . . . . 73.340000000000003 109.494 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 31.5 t -94.07 148.93 21.69 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.677 0.751 . . . . 72.239999999999995 111.932 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.59 -6.63 17.88 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.202 -0.908 . . . . 70.219999999999999 109.804 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.17 100.01 1.59 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.902 -0.59 . . . . 61.210000000000001 111.41 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 132.35 -14.38 5.09 Favored Glycine 0 C--N 1.3 -1.46 0 C-N-CA 120.344 -0.931 . . . . 53.43 112.197 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -110.22 149.22 30.45 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 120.901 -0.32 . . . . 64.510000000000005 110.143 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.91 164.36 3.92 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.909 0.756 . . . . 72.129999999999995 111.813 -177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -54.35 -47.12 72.93 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.806 0.443 . . . . 64.040000000000006 112.047 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.591 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -73.07 -34.99 66.58 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.588 -0.445 . . . . 72.099999999999994 111.302 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -61.53 -46.3 90.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.423 -0.955 . . . . 75.230000000000004 108.423 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.34 -47.34 81.83 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.225 -1.352 . . . . 75.450000000000003 110.622 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.515 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.3 mtt -60.47 -37.13 80.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.855 1.058 . . . . 73.5 113.855 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.42 -48.37 75.64 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.022 -0.733 . . . . 64.0 109.022 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 82.9 m -65.27 -35.15 80.14 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.316 -0.857 . . . . 75.239999999999995 109.714 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 645' ' ' VAL . 2.6 tm? -63.92 -56.11 17.7 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 124.302 1.041 . . . . 70.109999999999999 109.743 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 659' ' ' MET . 80.8 mtp180 -56.77 -46.29 81.55 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.361 0.6 . . . . 72.329999999999998 110.382 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -63.99 -48.29 77.0 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.0 -1.0 . . . . 74.209999999999994 111.949 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 33.6 m -75.66 -32.88 60.36 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.79 -0.764 . . . . 65.129999999999995 111.581 -174.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.516 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 4.3 ppp? -72.52 -30.83 64.83 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.609 -0.437 . . . . 74.299999999999997 110.695 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.06 -55.9 3.27 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 116.111 -0.495 . . . . 72.109999999999999 110.558 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.2 m -62.75 -47.5 83.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.667 0.617 . . . . 74.430000000000007 112.667 -174.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 7.5 tp10 -87.83 -35.6 17.71 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.267 0.556 . . . . 72.219999999999999 109.577 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.25 -51.28 56.12 Favored Glycine 0 C--O 1.238 0.36 0 CA-C-N 116.02 -0.537 . . . . 55.420000000000002 113.141 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -77.67 -2.88 38.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.751 0.786 . . . . 61.130000000000003 110.118 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -87.0 -46.9 9.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.772 -0.649 . . . . 72.219999999999999 109.486 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 14.4 mmt180 -78.84 -27.99 44.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.728 -0.669 . . . . 61.539999999999999 110.193 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.63 -13.36 62.64 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.179 -1.168 . . . . 72.450000000000003 110.179 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 23.1 ptm -148.27 145.81 28.35 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 108.619 -0.882 . . . . 41.520000000000003 108.619 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.416 HG21 ' HB ' ' A' ' 591' ' ' VAL . 6.9 tt -111.25 143.44 21.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.317 0 CA-C-N 115.573 -0.74 . . . . 73.439999999999998 110.424 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -108.94 131.37 55.1 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.141 -0.481 . . . . 73.230000000000004 109.896 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -126.53 124.57 40.32 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.839 -0.43 . . . . 74.420000000000002 109.839 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.3 mp -103.76 121.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 105.93 -1.878 . . . . 65.530000000000001 105.93 170.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.83 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.1 m -122.98 152.93 27.85 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.326 0 O-C-N 123.489 0.493 . . . . 64.349999999999994 109.758 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -127.7 126.15 41.35 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 120.959 0.409 . . . . 53.5 111.654 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 682' ' ' ARG . 6.3 ppt_? -110.77 123.65 50.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.869 -1.16 . . . . 75.230000000000004 107.869 175.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . 0.41 ' HG3' ' HB2' ' A' ' 686' ' ' ARG 0.26 37.2 ptt180 -91.25 137.39 32.4 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 112.98 0.733 . . . . 71.409999999999997 112.98 -176.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.65 -10.93 13.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.889 0.852 . . . . 63.140000000000001 111.363 -172.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 38.6 m -95.37 14.4 22.6 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.75 -0.659 . . . . 60.399999999999999 109.67 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . 0.672 ' HD2' ' OD1' ' A' ' 639' ' ' ASN . 0.0 OUTLIER -98.38 104.43 16.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.049 -1.463 . . . . 54.329999999999998 107.049 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.4 p -78.26 94.41 4.79 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.275 0.559 . . . . 74.530000000000001 110.905 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -93.66 118.29 31.2 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.77 -0.456 . . . . 70.299999999999997 109.77 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.309 -1.184 0 N-CA-C 108.071 -1.085 . . . . 74.340000000000003 108.071 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 769' ' ' MET . . . . . 0.575 ' HE1' ' N ' ' B' ' 769' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.304 -0.628 . . . . 73.219999999999999 109.304 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 84.8 mt 53.41 75.15 0.27 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.324 -1.307 . . . . 72.109999999999999 112.852 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.54 -1.81 3.86 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.894 -0.78 . . . . 42.409999999999997 108.894 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.14 113.91 3.43 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 114.614 -1.175 . . . . 72.430000000000007 110.361 -176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . 0.444 ' H ' HD21 ' B' ' 773' ' ' LEU . 2.0 pt? -121.44 153.04 38.41 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.21 -0.663 . . . . 74.140000000000001 109.21 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -125.16 109.87 13.4 Favored 'General case' 0 N--CA 1.401 -2.911 0 N-CA-C 104.741 -2.318 . . . . 73.540000000000006 104.741 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -70.45 69.54 0.7 Allowed Glycine 0 N--CA 1.429 -1.816 0 N-CA-C 116.798 1.479 . . . . 63.43 116.798 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 61.9 p -168.36 88.79 0.24 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.645 1.178 . . . . 74.530000000000001 108.838 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.58 165.82 17.3 Favored Pre-proline 0 C--N 1.304 -1.373 0 CA-C-N 115.934 -0.575 . . . . 70.430000000000007 109.958 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.46 -10.03 12.53 Favored 'Trans proline' 0 C--N 1.364 1.382 0 C-N-CA 123.277 2.651 . . . . 72.420000000000002 115.209 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -94.38 -2.97 51.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.229 0.538 . . . . 74.129999999999995 110.362 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -95.99 8.83 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.144 0.973 . . . . 64.129999999999995 108.722 175.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.443 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.4 mt-10 -115.81 136.39 53.09 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 113.293 -1.776 . . . . 75.409999999999997 107.871 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 63.9 tp -137.11 130.81 31.77 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 109.851 -0.425 . . . . 73.129999999999995 109.851 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . 0.408 ' N ' HD13 ' B' ' 783' ' ' ILE . 2.4 mp -101.53 127.85 54.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.841 -0.429 . . . . 71.439999999999998 109.841 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.516 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 15.6 pt . . . . . 0 N--CA 1.412 -2.331 0 CA-C-O 118.232 -0.89 . . . . 64.230000000000004 109.771 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.473 0 N-CA-C 111.07 -0.812 . . . . 74.409999999999997 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.9 p -90.42 -64.18 1.17 Allowed 'General case' 0 N--CA 1.431 -1.379 0 C-N-CA 122.581 0.353 . . . . 75.219999999999999 111.531 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -76.14 107.43 8.36 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 113.385 0.883 . . . . 71.409999999999997 113.385 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 75.17 -173.17 53.03 Favored Glycine 0 N--CA 1.428 -1.889 0 CA-C-N 114.741 -1.118 . . . . 73.549999999999997 111.827 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 17.8 p -95.12 92.82 7.0 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-O 120.908 0.385 . . . . 45.149999999999999 110.37 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -146.48 140.72 26.43 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 116.341 -0.39 . . . . 71.219999999999999 110.378 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.2 162.65 15.74 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.825 -0.435 . . . . 74.510000000000005 109.825 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.48 122.46 39.41 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 116.383 -0.372 . . . . 74.510000000000005 111.263 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.38 131.7 54.83 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 116.007 -0.542 . . . . 73.120000000000005 109.723 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 47.8 m -104.37 121.5 43.51 Favored 'General case' 0 C--N 1.266 -3.034 0 CA-C-N 115.21 -0.905 . . . . 70.549999999999997 109.741 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -121.34 126.45 49.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.558 -0.904 . . . . 71.230000000000004 108.558 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.57 120.79 43.28 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 121.558 0.695 . . . . 54.210000000000001 109.599 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 83.7 t -108.04 118.22 53.19 Favored Pre-proline 0 C--N 1.279 -2.469 0 CA-C-N 114.496 -1.229 . . . . 72.109999999999999 109.525 -172.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.02 145.83 31.84 Favored 'Trans proline' 0 N--CA 1.441 -1.567 0 C-N-CA 121.586 1.524 . . . . 65.430000000000007 111.24 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.4 80.24 4.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.663 0.744 . . . . 71.109999999999999 109.5 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 596' ' ' SER . 86.1 m-20 -120.54 -65.61 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.546 -1.206 . . . . 62.100000000000001 110.358 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.47 15.37 3.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.941 0.877 . . . . 71.140000000000001 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 21.6 m -78.45 8.81 4.6 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.071 1.348 . . . . 74.5 112.671 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.38 -22.55 40.28 Favored Glycine 0 N--CA 1.421 -2.366 0 C-N-CA 120.026 -1.083 . . . . 54.119999999999997 111.913 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 23.7 t -92.89 -30.99 15.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.07 0.938 . . . . 74.230000000000004 109.763 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -164.18 155.03 15.41 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 103.907 -2.627 . . . . 72.530000000000001 103.907 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -65.06 -55.82 19.59 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 111.301 -0.719 . . . . 51.100000000000001 111.301 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.498 HD22 HG23 ' A' ' 676' ' ' ILE . 12.0 mt -112.42 -32.65 6.42 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.734 -0.839 . . . . 54.43 108.734 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 91.73 41.05 5.14 Favored Glycine 0 N--CA 1.411 -3.005 0 N-CA-C 109.759 -1.336 . . . . 71.230000000000004 109.759 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.35 152.56 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 N-CA-C 106.912 -1.514 . . . . 72.129999999999995 106.912 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 622' ' ' LYS . 24.7 m -109.92 136.94 48.42 Favored 'General case' 0 C--N 1.267 -2.999 0 N-CA-C 106.265 -1.754 . . . . 54.409999999999997 106.265 171.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.447 HG11 ' HA ' ' A' ' 621' ' ' VAL . 3.7 m -126.67 163.5 28.92 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-O 121.158 0.504 . . . . 75.349999999999994 111.129 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.455 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 60.0 pttt -149.62 152.29 35.18 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.039 -0.982 . . . . 74.540000000000006 109.603 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.8 134.85 12.3 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.908 -1.139 . . . . 62.329999999999998 111.233 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.94 139.63 40.19 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.908 -0.775 . . . . 63.229999999999997 108.908 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -133.18 139.54 47.08 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 108.153 -1.054 . . . . 75.340000000000003 108.153 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 40.7 m -56.9 113.94 1.89 Allowed 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 123.914 0.759 . . . . 74.400000000000006 110.406 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.584 ' HD2' ' O ' ' B' ' 775' ' ' GLY . 48.2 mtmt -59.14 -40.16 84.66 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 124.478 1.111 . . . . 73.319999999999993 111.724 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -104.86 -39.23 6.36 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.98 -0.555 . . . . 61.119999999999997 111.66 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 11.6 t30 -74.35 -18.26 60.71 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.186 0.517 . . . . 72.299999999999997 111.619 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 31.8 m170 68.79 7.19 5.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.977 1.473 . . . . 72.230000000000004 114.977 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -102.73 151.89 21.86 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.598 -0.889 . . . . 50.409999999999997 108.598 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.75 145.09 34.62 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.479 -0.489 . . . . 74.140000000000001 111.082 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.49 -7.61 37.62 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.367 -0.975 . . . . 72.420000000000002 108.367 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.72 -177.64 23.64 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 114.423 -1.262 . . . . 55.210000000000001 112.834 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.3 mm -93.22 130.83 41.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 109.27 -0.641 . . . . 74.310000000000002 109.27 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.3 m-85 -123.83 152.61 42.1 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 122.655 0.382 . . . . 74.209999999999994 110.436 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.447 ' HA ' HG11 ' A' ' 605' ' ' VAL . 68.5 t -66.19 127.08 26.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.798 0.808 . . . . 72.150000000000006 110.672 174.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.449 ' HD2' ' HG2' ' B' ' 781' ' ' GLU . 39.9 tttp -92.87 -59.13 2.13 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 114.263 -1.335 . . . . 64.200000000000003 110.608 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.0 m -150.24 146.46 26.83 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.664 -0.495 . . . . 74.109999999999999 109.664 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.85 130.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.618 -0.512 . . . . 75.140000000000001 109.618 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -91.45 113.28 26.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.055 -1.461 . . . . 74.140000000000001 107.055 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.08 81.28 5.36 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 122.07 0.938 . . . . 74.310000000000002 110.239 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 163.55 45.07 0.02 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 N-CA-C 108.61 -1.796 . . . . 55.119999999999997 108.61 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -148.78 159.32 27.99 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.242 -1.143 . . . . 74.540000000000006 110.242 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.48 72.52 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 112.173 0.435 . . . . 72.219999999999999 112.173 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.31 -26.51 63.81 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.566 0.698 . . . . 72.540000000000006 110.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 12.8 m -72.4 -52.86 14.14 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.74 -1.118 . . . . 73.230000000000004 109.756 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.67 -52.58 10.19 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.462 0.541 . . . . 64.040000000000006 112.462 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.89 -51.26 9.33 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.668 -0.413 . . . . 75.329999999999998 110.747 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -62.63 -42.63 99.67 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.284 -0.871 . . . . 54.43 114.087 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 68.0 32.37 5.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.737 0.415 . . . . 64.239999999999995 111.387 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.98 158.88 34.8 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.982 0.734 . . . . 74.420000000000002 112.982 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 640' ' ' ASP . 1.4 ppt_? -114.74 158.16 22.2 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.514 -1.221 . . . . 75.420000000000002 112.024 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.32 143.85 14.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.325 -0.398 . . . . 64.120000000000005 110.364 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 66.51 29.19 9.2 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.85 1.26 . . . . 64.519999999999996 109.804 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.768 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 9.0 t70 -82.0 146.25 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.728 -1.582 . . . . 71.150000000000006 106.728 173.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.89 112.52 24.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.861 -0.792 . . . . 74.299999999999997 108.861 -176.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 605' ' ' VAL . 5.5 mp -73.29 112.82 9.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.61 -0.723 . . . . 72.430000000000007 110.747 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 35.0 mm -90.88 -54.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.27 -0.877 . . . . 54.109999999999999 111.541 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -142.29 152.14 42.7 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.295 0.48 . . . . 71.129999999999995 112.295 -173.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.11 134.85 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.165 -0.47 . . . . 73.109999999999999 110.19 178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 45.23 36.07 2.04 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.144 1.164 . . . . 72.239999999999995 114.144 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.02 37.87 Favored Glycine 0 C--N 1.313 -0.715 0 C-N-CA 119.872 -1.156 . . . . 61.43 114.976 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.52 131.76 37.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 118.336 1.068 . . . . 74.040000000000006 111.305 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.6 m -79.32 128.76 33.73 Favored 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 123.574 0.546 . . . . 75.129999999999995 109.749 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.22 -15.98 17.14 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.285 -0.416 . . . . 72.329999999999998 111.098 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 5.3 tt -71.28 93.41 1.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.617 -1.253 . . . . 64.109999999999999 107.617 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.4 -32.39 0.64 Allowed Glycine 0 C--N 1.298 -1.573 0 N-CA-C 109.962 -1.255 . . . . 73.219999999999999 109.962 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -92.63 162.3 14.23 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.325 -0.62 . . . . 72.239999999999995 109.325 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.9 167.34 15.9 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 123.322 0.389 . . . . 54.119999999999997 110.848 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.645 ' O ' ' HG3' ' A' ' 659' ' ' MET . 92.1 m-20 -58.21 -47.95 81.87 Favored 'General case' 0 CA--C 1.492 -1.277 0 C-N-CA 121.3 -0.16 . . . . 70.150000000000006 110.89 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 660' ' ' GLU . 21.4 mt-30 -54.53 -44.77 73.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.244 0.545 . . . . 74.310000000000002 110.518 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -65.07 -48.07 75.07 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.972 -1.013 . . . . 72.219999999999999 109.98 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.22 86.03 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.214 -0.903 . . . . 70.219999999999999 110.979 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.9 mtp -64.75 -40.48 95.36 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.611 -0.268 . . . . 71.409999999999997 110.862 -177.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.5 mt-10 -68.46 -40.4 81.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.805 -0.758 . . . . 61.32 110.432 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.3 m -65.41 -40.02 92.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.24 0.543 . . . . 52.140000000000001 109.857 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 666' ' ' MET . 39.1 tp -59.75 -55.87 28.96 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.164 0.986 . . . . 72.400000000000006 111.633 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 659' ' ' MET . 16.4 ptm180 -68.69 -30.3 68.93 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.244 -0.582 . . . . 74.109999999999999 111.284 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -72.33 -42.42 65.39 Favored 'General case' 0 C--O 1.2 -1.547 0 CA-C-N 116.509 -0.314 . . . . 73.140000000000001 110.995 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 51.3 m -66.39 -34.01 76.99 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.66 -0.416 . . . . 73.150000000000006 111.392 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 662' ' ' LEU . 19.6 ptp -77.16 -18.37 57.89 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.697 -0.401 . . . . 72.510000000000005 111.824 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.2 t -92.57 -55.96 3.2 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.221 0.534 . . . . 74.420000000000002 109.626 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 41.7 m -71.06 -48.33 53.32 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.698 -0.683 . . . . 63.299999999999997 111.906 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.31 -15.33 21.97 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.084 -0.647 . . . . 62.520000000000003 111.754 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -62.92 -71.19 0.87 Allowed Glycine 0 C--O 1.255 1.434 0 N-CA-C 111.075 -0.81 . . . . 43.409999999999997 111.075 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -79.04 79.55 5.43 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.28 -1.007 . . . . 65.25 108.28 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -175.5 -54.9 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.592 -1.64 . . . . 75.140000000000001 107.789 -176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -84.11 -41.34 17.21 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.392 -0.822 . . . . 73.129999999999995 109.678 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 112.91 -24.38 13.04 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.315 -1.114 . . . . 44.109999999999999 110.315 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -146.17 153.71 40.96 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.804 -0.443 . . . . 65.299999999999997 109.804 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.498 HG23 HD22 ' A' ' 601' ' ' LEU . 3.6 tt -111.67 139.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 CA-C-N 115.072 -0.967 . . . . 75.340000000000003 109.73 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -102.39 130.13 49.07 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.227 -0.442 . . . . 72.299999999999997 110.655 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.7 124.03 42.47 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 116.053 -0.521 . . . . 63.299999999999997 109.653 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.7 mp -105.03 119.52 54.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.404 -1.702 . . . . 73.129999999999995 106.404 171.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.768 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 23.4 m -122.78 162.71 22.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 108.717 -0.846 . . . . 71.200000000000003 108.717 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.03 125.97 54.31 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 121.242 0.544 . . . . 72.230000000000004 110.035 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -108.09 120.48 42.46 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.307 0.575 . . . . 75.219999999999999 110.078 -176.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -73.92 123.66 24.68 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 114.592 -1.185 . . . . 71.109999999999999 110.131 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 60.2 mt -93.88 99.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 N-CA-C 107.585 -1.265 . . . . 75.030000000000001 107.585 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 23.2 t -170.76 144.06 2.22 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.164 -1.38 . . . . 61.329999999999998 107.447 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -108.79 155.73 20.43 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.917 -0.401 . . . . 72.340000000000003 109.917 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 43.9 t 73.72 -38.39 0.4 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 54.140000000000001 112.242 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -71.7 119.18 15.49 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.228 -0.656 . . . . 74.519999999999996 109.228 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 109.775 -0.454 . . . . 70.239999999999995 109.775 -178.414 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 C--O 1.245 0.852 0 N-CA-C 110.06 -0.348 . . . . 71.209999999999994 110.06 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 86.1 mt 54.31 78.8 0.15 Allowed 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.466 1.106 . . . . 72.340000000000003 111.625 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -106.11 101.92 11.37 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.308 -0.86 . . . . 74.430000000000007 110.653 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -127.25 155.45 43.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.04 -1.096 . . . . 75.209999999999994 108.04 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . 0.635 ' O ' HD13 ' B' ' 773' ' ' LEU . 3.3 tm? 72.63 5.0 5.15 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 123.323 1.535 . . . . 72.010000000000005 107.943 -175.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -132.54 114.37 14.18 Favored 'General case' 0 N--CA 1.41 -2.452 0 N-CA-C 104.963 -2.236 . . . . 75.209999999999994 104.963 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . 0.584 ' O ' ' HD2' ' A' ' 611' ' ' LYS . . . -79.3 158.65 44.09 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.363 -1.399 . . . . 73.439999999999998 111.533 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 39.6 m -143.62 151.64 40.4 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 106.053 -1.832 . . . . 61.200000000000003 106.053 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.26 149.14 98.59 Favored Pre-proline 0 C--N 1.288 -2.082 0 N-CA-C 109.259 -0.645 . . . . 75.409999999999997 109.259 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.31 1.01 3.31 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.068 2.512 . . . . 73.25 114.748 -174.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 62.82 92.49 0.06 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.477 1.111 . . . . 74.150000000000006 111.543 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.2 mt-10 -122.46 94.02 4.16 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.542 -0.91 . . . . 73.209999999999994 108.542 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.455 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 44.4 mt-10 -118.8 136.86 53.77 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.812 -0.631 . . . . 75.299999999999997 112.19 -175.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . 0.41 ' HB2' ' HE1' ' A' ' 659' ' ' MET . 57.7 tp -135.67 132.41 36.93 Favored 'General case' 0 N--CA 1.422 -1.843 0 CA-C-N 115.312 -0.858 . . . . 60.039999999999999 110.269 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . 0.4 HD13 ' N ' ' B' ' 783' ' ' ILE . 2.0 mp -96.29 121.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 108.098 -1.075 . . . . 74.040000000000006 108.098 170.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.44 ' HB ' ' SD ' ' A' ' 666' ' ' MET . 8.9 pt . . . . . 0 N--CA 1.403 -2.8 0 CA-C-O 117.534 -1.222 . . . . 38.960000000000001 110.864 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.034 0 N-CA-C 110.43 -1.068 . . . . 50.329999999999998 110.43 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 46.4 m -142.04 22.71 2.07 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 117.175 0.488 . . . . 64.150000000000006 110.102 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.74 117.26 4.39 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.94 -0.573 . . . . 63.530000000000001 112.07 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 149.05 155.47 6.74 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.89 -1.284 . . . . 74.129999999999995 109.89 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 12.3 t -84.61 7.41 20.28 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 122.467 1.127 . . . . 73.349999999999994 110.508 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 154.31 49.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 114.914 -1.039 . . . . 75.019999999999996 108.566 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.66 163.24 13.66 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.655 -0.869 . . . . 73.510000000000005 108.655 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.12 129.48 54.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.976 0.417 . . . . 73.409999999999997 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.66 131.16 55.48 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.958 -0.756 . . . . 64.409999999999997 108.958 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 37.7 m -110.5 122.07 46.84 Favored 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 115.243 -0.89 . . . . 74.319999999999993 109.063 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -121.27 134.36 55.16 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 108.912 -0.773 . . . . 74.540000000000006 108.912 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.71 113.94 21.41 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.759 -0.83 . . . . 64.049999999999997 108.759 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 98.7 t -110.31 117.18 51.89 Favored Pre-proline 0 C--N 1.27 -2.87 0 CA-C-N 114.453 -1.249 . . . . 73.5 110.871 -169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 148.87 49.93 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.749 1.633 . . . . 65.310000000000002 110.35 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.82 78.98 0.87 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.848 0.832 . . . . 75.219999999999999 111.285 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -114.29 119.15 36.01 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.741 -1.118 . . . . 62.310000000000002 110.636 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 18.5 t70 63.98 24.09 13.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.861 1.315 . . . . 73.340000000000003 108.566 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 49.1 m -75.14 11.06 1.25 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.673 -1.603 . . . . 64.340000000000003 113.473 -175.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.28 -34.49 20.27 Favored Glycine 0 N--CA 1.419 -2.46 0 C-N-CA 119.799 -1.191 . . . . 61.130000000000003 110.874 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -84.09 -43.56 14.94 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.776 0.798 . . . . 74.430000000000007 109.548 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.614 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -149.09 132.87 16.96 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 106.561 -1.644 . . . . 71.409999999999997 106.561 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -61.98 -60.82 7.43 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 124.006 0.816 . . . . 73.549999999999997 111.988 -173.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.402 HD11 HG23 ' A' ' 676' ' ' ILE . 6.5 mp -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.163 -1.051 . . . . 74.310000000000002 108.163 176.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.434 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 79.71 48.74 6.48 Favored Glycine 0 N--CA 1.402 -3.579 0 CA-C-N 114.421 -1.263 . . . . 52.420000000000002 109.986 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.67 151.14 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 N-CA-C 106.625 -1.621 . . . . 73.340000000000003 106.625 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.7 m -113.43 134.02 54.88 Favored 'General case' 0 N--CA 1.406 -2.626 0 N-CA-C 107.177 -1.416 . . . . 70.510000000000005 107.177 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.451 HG12 ' CD2' ' A' ' 642' ' ' LEU . 2.9 m -124.55 160.75 28.92 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 CA-C-O 121.33 0.586 . . . . 74.439999999999998 111.805 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -149.5 153.06 36.63 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.835 -1.075 . . . . 74.420000000000002 109.452 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -124.85 139.38 11.68 Favored Glycine 0 C--N 1.275 -2.831 0 C-N-CA 119.894 -1.146 . . . . 63.340000000000003 111.792 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -123.58 140.33 53.11 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 120.969 0.414 . . . . 74.209999999999994 111.37 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.515 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 55.3 ttp180 -129.7 125.74 36.67 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.215 -0.661 . . . . 73.109999999999999 109.215 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.425 ' HB3' ' OE2' ' A' ' 612' ' ' GLU . 45.8 m -88.7 92.65 9.29 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 108.043 -1.095 . . . . 74.510000000000005 108.043 178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -69.2 -23.44 63.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.727 -0.67 . . . . 64.299999999999997 111.229 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . 0.425 ' OE2' ' HB3' ' A' ' 610' ' ' SER . 0.0 OUTLIER -77.86 -26.9 49.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.253 0.549 . . . . 75.400000000000006 111.845 177.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -85.1 -22.01 29.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.352 -1.351 . . . . 75.030000000000001 107.352 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.5 m80 76.65 20.94 1.33 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.938 1.695 . . . . 75.030000000000001 110.15 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -132.57 142.28 49.08 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.113 -0.494 . . . . 70.25 111.363 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 6.4 p-10 -85.14 143.33 28.89 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.929 -0.767 . . . . 72.5 108.929 177.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 74.4 mt -90.97 -10.89 40.7 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.991 -0.744 . . . . 64.099999999999994 108.991 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 94.17 -167.42 27.75 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.023 -0.99 . . . . 52.539999999999999 111.925 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 42.9 mm -99.53 136.34 31.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.509 -0.923 . . . . 61.240000000000002 108.509 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.51 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 94.9 m-85 -128.32 147.25 50.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 123.309 0.381 . . . . 73.5 110.445 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 62.6 t -68.9 126.68 29.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 109.137 -0.69 . . . . 62.310000000000002 109.137 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -98.68 -42.78 7.08 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 120.786 0.327 . . . . 70.319999999999993 111.236 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 31.2 t -149.68 145.03 26.49 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.822 -0.436 . . . . 73.010000000000005 109.822 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.53 129.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 108.963 -0.754 . . . . 63.25 108.963 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.58 120.26 39.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 109.246 -0.65 . . . . 70.230000000000004 109.246 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -68.8 128.63 37.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.022 -0.535 . . . . 70.129999999999995 110.2 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 103.92 -8.19 49.86 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 110.881 -0.887 . . . . 75.340000000000003 110.881 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -74.67 146.59 35.71 Favored Glycine 0 N--CA 1.433 -1.544 0 N-CA-C 110.69 -0.964 . . . . 51.100000000000001 110.69 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.53 84.18 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.964 0.382 . . . . 71.129999999999995 111.395 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.26 70.63 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-O 121.398 0.618 . . . . 72.340000000000003 109.853 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 -52.16 18.88 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.808 -1.087 . . . . 65.319999999999993 109.603 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.73 -50.86 39.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.625 0.602 . . . . 72.409999999999997 112.625 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -79.35 -51.21 9.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 72.140000000000001 112.567 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -82.73 -41.96 8.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.585 -0.734 . . . . 74.319999999999993 114.788 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 64.34 79.08 0.27 Allowed 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.43 0.633 . . . . 74.439999999999998 111.153 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.57 -178.21 4.33 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.92 -0.582 . . . . 74.510000000000005 110.125 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.423 ' HD3' ' OD1' ' A' ' 688' ' ' ASN . 17.4 ptp180 -129.28 168.35 16.35 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.988 -0.551 . . . . 74.209999999999994 110.631 -176.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.3 t -83.0 152.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.279 -1.008 . . . . 71.540000000000006 108.279 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 62.8 31.62 16.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 122.35 1.072 . . . . 71.439999999999998 109.26 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.647 ' OD2' ' HB ' ' A' ' 680' ' ' VAL . 5.5 t70 -97.41 144.14 27.44 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 106.87 -1.53 . . . . 72.140000000000001 106.87 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.19 115.43 28.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.921 0.391 . . . . 75.129999999999995 110.782 -169.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.3 mp -75.49 124.73 27.68 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.507 0.723 . . . . 75.150000000000006 112.365 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.2 mm -102.39 -54.72 6.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.47 -0.786 . . . . 72.420000000000002 111.83 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -141.04 157.23 45.6 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.923 -0.581 . . . . 75.329999999999998 111.487 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.07 131.02 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 115.63 -0.714 . . . . 64.430000000000007 110.317 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.519 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 81.9 m-20 52.67 22.76 2.37 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.963 1.468 . . . . 65.030000000000001 114.963 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.7 -12.49 56.48 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.749 -0.738 . . . . 74.310000000000002 112.911 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -101.74 126.39 48.59 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 109.51 -0.552 . . . . 73.140000000000001 109.51 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 52.8 p -84.88 130.07 34.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.003 0.43 . . . . 75.5 111.962 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.7 pp -110.94 0.56 17.11 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 112.783 0.66 . . . . 72.409999999999997 112.783 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 56.1 tp -80.39 82.99 6.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.654 0.74 . . . . 71.439999999999998 109.816 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.1 0.02 OUTLIER Glycine 0 C--N 1.302 -1.334 0 CA-C-N 114.605 -1.18 . . . . 53.32 110.343 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . 0.529 ' HB3' ' HZ3' ' A' ' 653' ' ' LYS . 0.5 OUTLIER -161.21 179.77 8.09 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.425 -1.324 . . . . 74.430000000000007 107.425 -177.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.1 164.65 26.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.762 0.315 . . . . 37.979999999999997 111.006 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.515 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 10.2 m120 -62.19 -47.25 85.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.608 . . . . 75.439999999999998 110.734 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 10.4 pt20 -61.37 -40.26 93.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.863 -0.608 . . . . 75.540000000000006 110.915 178.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -62.22 -45.2 94.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.142 0.496 . . . . 61.310000000000002 109.701 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.46 92.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.145 -0.934 . . . . 71.340000000000003 111.189 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.497 ' HB3' HD22 ' B' ' 782' ' ' LEU . 34.1 mtm -73.66 -28.33 61.71 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 119.569 -0.853 . . . . 75.510000000000005 112.51 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 20.0 mm-40 -65.15 -39.05 92.46 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.76 -0.83 . . . . 75.420000000000002 108.76 171.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.2 m -61.02 -42.16 97.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.359 -0.837 . . . . 64.439999999999998 109.285 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 -53.35 59.23 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.474 -0.33 . . . . 71.209999999999994 110.423 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 659' ' ' MET . 83.8 mtp180 -54.6 -44.96 73.5 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.835 0.709 . . . . 72.299999999999997 110.671 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.9 -50.34 56.79 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.689 -0.687 . . . . 71.319999999999993 111.22 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 19.3 m -68.39 -36.98 79.94 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 111.711 0.263 . . . . 74.25 111.711 -173.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.661 ' SD ' HG22 ' B' ' 784' ' ' ILE . 20.0 ptm -70.54 -23.67 62.67 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.76 -0.376 . . . . 73.310000000000002 110.917 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 45.2 t -92.7 -57.1 2.77 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 116.402 -0.363 . . . . 71.340000000000003 110.097 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 59.7 m -67.46 -53.07 32.09 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.879 -0.601 . . . . 71.319999999999993 111.522 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.85 -41.31 21.19 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.541 -0.464 . . . . 74.209999999999994 111.487 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -52.2 -51.16 43.13 Favored Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.406 0.441 . . . . 74.310000000000002 113.812 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -75.15 -7.91 55.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.441 0.534 . . . . 75.120000000000005 112.441 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.57 -46.19 6.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.443 0.64 . . . . 72.25 109.729 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -70.14 -31.01 68.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.418 -0.81 . . . . 74.120000000000005 110.347 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.0 -22.73 37.91 Favored Glycine 0 C--O 1.238 0.369 0 N-CA-C 110.933 -0.867 . . . . 71.439999999999998 110.933 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 20.9 ptp -145.66 154.87 42.58 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 107.818 -1.178 . . . . 71.010000000000005 107.818 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.519 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 9.5 tt -110.4 130.21 64.09 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-O 121.64 0.733 . . . . 52.32 110.623 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -96.78 128.64 43.93 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 114.838 -1.074 . . . . 61.299999999999997 108.913 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.441 ' N ' HD22 ' A' ' 678' ' ' LEU . 0.7 OUTLIER -130.19 126.14 36.69 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-O 121.506 0.67 . . . . 64.239999999999995 111.194 177.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 88.1 mt -107.41 120.82 59.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-N 114.577 -1.192 . . . . 62.240000000000002 108.446 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.647 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.3 m -123.19 155.61 29.1 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.493 0 CA-C-N 115.126 -0.943 . . . . 73.420000000000002 110.234 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.739 0.781 . . . . 71.310000000000002 111.624 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 637' ' ' ARG . 8.2 tpp180 -110.47 121.3 44.97 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.711 -1.131 . . . . 73.239999999999995 109.908 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.79 137.53 49.63 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.423 -0.808 . . . . 74.129999999999995 110.251 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.49 99.83 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 108.307 -0.997 . . . . 72.519999999999996 108.307 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 49.0 m -152.93 -162.17 1.44 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 105.406 -2.072 . . . . 75.129999999999995 105.406 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -62.24 -62.44 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.643 0.656 . . . . 74.140000000000001 110.39 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 71.5 m -157.31 -76.73 0.09 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.222 -0.658 . . . . 70.239999999999995 109.222 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . 0.423 ' OD1' ' HD3' ' A' ' 637' ' ' ARG . 14.9 m120 -143.73 -59.84 0.4 Allowed 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.361 -0.836 . . . . 73.129999999999995 109.394 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.289 -0.868 . . . . 72.219999999999999 111.294 178.203 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 83.5 mtp . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.777 0.322 . . . . 64.409999999999997 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.64 112.93 4.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.836 -0.62 . . . . 74.030000000000001 109.752 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -156.2 99.38 1.93 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.06 0.457 . . . . 71.510000000000005 110.042 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -109.1 142.48 39.78 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 115.744 -0.662 . . . . 70.209999999999994 110.239 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -142.72 82.13 1.76 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.735 0.778 . . . . 74.230000000000004 110.704 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -81.8 -41.44 21.11 Favored 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 106.631 -1.618 . . . . 72.239999999999995 106.631 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 137.33 109.49 0.93 Allowed Glycine 1 N--CA 1.38 -5.087 0 C-N-CA 119.689 -1.243 . . . . 53.119999999999997 113.425 176.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 25.7 t -153.65 130.34 10.79 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 105.702 -1.962 . . . . 64.319999999999993 105.702 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -75.2 137.16 72.1 Favored Pre-proline 0 C--N 1.301 -1.515 0 N-CA-C 109.517 -0.549 . . . . 75.510000000000005 109.517 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.45 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.683 2.255 . . . . 54.5 113.901 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 173.28 102.14 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 123.621 0.768 . . . . 62.399999999999999 109.354 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.3 134.99 35.29 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.591 -0.892 . . . . 63.109999999999999 108.591 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -141.08 131.92 25.89 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.785 0.834 . . . . 75.120000000000005 111.17 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 659' ' ' MET . 44.5 tp -134.78 133.4 39.81 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 115.566 -0.743 . . . . 71.200000000000003 110.248 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.63 128.58 51.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.395 -0.965 . . . . 65.030000000000001 108.395 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.661 HG22 ' SD ' ' A' ' 666' ' ' MET . 18.6 pt . . . . . 0 N--CA 1.418 -2.066 0 CA-C-N 116.867 -0.151 . . . . 63.310000000000002 110.954 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.764 0 N-CA-C 110.639 -0.984 . . . . 74.239999999999995 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 51.1 m -109.83 116.32 31.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.625 -0.509 . . . . 72.219999999999999 109.625 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -153.7 110.58 3.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 109.177 -0.675 . . . . 70.140000000000001 109.177 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -165.36 -134.56 1.68 Allowed Glycine 0 N--CA 1.429 -1.807 0 C-N-CA 120.515 -0.85 . . . . 61.549999999999997 112.231 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 12.4 m -91.67 -8.05 48.19 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.588 0.708 . . . . 71.209999999999994 110.059 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -141.08 153.21 45.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.08 -0.509 . . . . 72.019999999999996 110.997 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -122.45 156.63 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.922 -0.399 . . . . 63.439999999999998 109.922 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -97.09 137.65 35.82 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.475 0.917 . . . . 74.319999999999993 113.475 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.66 132.89 41.24 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 115.033 -0.985 . . . . 74.230000000000004 108.946 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 62.8 m -109.47 122.49 47.51 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 115.802 -0.635 . . . . 72.439999999999998 109.507 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -117.59 146.83 43.36 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.825 -0.435 . . . . 62.509999999999998 109.825 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.79 132.98 53.9 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.119 0.485 . . . . 75.109999999999999 110.491 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.458 ' HB ' HG21 ' A' ' 676' ' ' ILE . 61.7 t -125.18 117.79 25.4 Favored Pre-proline 0 C--N 1.282 -2.329 0 CA-C-N 115.503 -0.771 . . . . 65.239999999999995 108.979 -173.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.08 146.58 25.68 Favored 'Trans proline' 0 N--CA 1.435 -1.936 0 N-CA-C 109.072 -1.165 . . . . 63.310000000000002 109.072 173.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.52 73.51 5.07 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.944 0.878 . . . . 70.430000000000007 110.716 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -86.21 -89.25 0.12 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 114.606 -1.179 . . . . 74.120000000000005 112.799 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -88.75 -10.47 48.17 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 109.062 -0.718 . . . . 75.530000000000001 109.062 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 40.3 m -71.85 93.24 1.3 Allowed 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 122.23 1.014 . . . . 72.299999999999997 108.951 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -155.64 -29.96 0.03 OUTLIER Glycine 0 C--N 1.282 -2.451 0 N-CA-C 108.242 -1.943 . . . . 51.149999999999999 108.242 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.4 m -68.44 -26.39 65.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.393 1.092 . . . . 62.229999999999997 108.426 173.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -137.58 -177.56 4.85 Favored 'General case' 0 N--CA 1.4 -2.941 0 N-CA-C 104.77 -2.307 . . . . 64.040000000000006 104.77 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -77.61 -55.91 4.06 Favored Glycine 0 C--N 1.274 -2.875 0 N-CA-C 109.412 -1.475 . . . . 72.230000000000004 109.412 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 676' ' ' ILE . 21.5 mt -122.87 -43.63 2.23 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.975 -1.12 . . . . 75.109999999999999 107.975 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.6 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 110.14 47.84 0.8 Allowed Glycine 0 N--CA 1.399 -3.778 0 N-CA-C 109.253 -1.539 . . . . 51.32 109.253 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.9 t -138.47 152.5 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 107.547 -1.279 . . . . 75.310000000000002 107.547 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 21.5 m -109.97 132.85 53.78 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.741 -1.207 . . . . 72.129999999999995 107.741 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' A' ' 621' ' ' VAL . 3.3 m -124.4 163.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.739 0.781 . . . . 73.0 111.283 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' B' ' 781' ' ' GLU . 22.9 pttp -149.08 153.43 37.79 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 114.652 -1.158 . . . . 74.349999999999994 107.957 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.11 153.79 17.28 Favored Glycine 0 C--N 1.265 -3.415 0 C-N-CA 119.032 -1.556 . . . . 65.109999999999999 111.723 -177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -122.83 128.49 50.47 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.665 0.745 . . . . 64.120000000000005 109.939 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 45.5 ttp180 -129.43 125.79 37.31 Favored 'General case' 0 C--N 1.278 -2.504 0 N-CA-C 107.317 -1.364 . . . . 71.430000000000007 107.317 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 613' ' ' ASN . 20.6 m -81.78 104.02 11.87 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 109.026 -0.731 . . . . 71.420000000000002 109.026 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -66.62 -50.47 62.89 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 124.863 1.265 . . . . 73.209999999999994 110.427 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.7 -29.32 67.74 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.446 -0.797 . . . . 74.239999999999995 111.574 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.463 ' HB3' ' CB ' ' A' ' 610' ' ' SER . 27.3 t-20 -88.32 -26.02 22.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.96 -0.563 . . . . 62.299999999999997 110.606 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 48.6 m80 74.71 23.27 1.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.732 1.213 . . . . 74.030000000000001 113.209 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.08 164.99 25.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.59 -0.893 . . . . 64.129999999999995 108.59 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 654' ' ' ALA . 3.8 m-20 -98.48 151.06 21.01 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.838 -1.171 . . . . 65.340000000000003 107.838 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.53 -23.29 20.96 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.3 -1.0 . . . . 74.219999999999999 108.3 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 117.57 -160.0 13.86 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 114.754 -1.112 . . . . 61.439999999999998 110.884 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.4 mm -110.34 136.62 45.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 108.609 -0.886 . . . . 72.219999999999999 108.609 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 96.0 m-85 -125.2 145.99 49.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.886 0.374 . . . . 75.239999999999995 111.661 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.446 ' HA ' HG11 ' A' ' 605' ' ' VAL . 87.5 t -68.87 139.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.223 -0.658 . . . . 73.209999999999994 109.223 172.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -120.68 -37.14 3.05 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 116.025 -0.534 . . . . 60.119999999999997 112.115 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.4 t -148.64 136.78 21.0 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.757 -0.831 . . . . 74.409999999999997 108.757 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 624' ' ' ILE . 2.0 mp -100.26 127.5 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 N-CA-C 108.986 -0.746 . . . . 73.310000000000002 108.986 178.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.6 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 73.9 mt -89.11 121.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 107.741 -1.207 . . . . 72.329999999999998 107.741 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . 0.477 ' O ' ' HE3' ' A' ' 632' ' ' LYS . 3.8 p-10 -58.2 -21.47 47.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.503 0.557 . . . . 71.420000000000002 112.503 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -96.95 67.15 0.89 Allowed Glycine 0 N--CA 1.428 -1.837 0 CA-C-N 115.864 -0.607 . . . . 71.340000000000003 111.749 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -158.62 142.87 8.75 Favored Glycine 0 N--CA 1.417 -2.58 0 C-N-CA 120.199 -1.0 . . . . 62.310000000000002 112.078 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.29 -29.69 70.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.956 0.407 . . . . 64.120000000000005 110.605 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.402 ' HA ' HG23 ' A' ' 591' ' ' VAL . . . -65.91 -42.05 90.68 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 121.555 0.693 . . . . 71.120000000000005 109.542 177.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 635' ' ' ARG . 14.8 m -67.3 -42.9 82.94 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 113.754 -1.566 . . . . 73.019999999999996 110.717 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 626' ' ' ASN . 34.0 mmtp -75.1 -51.56 13.18 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.052 -0.522 . . . . 71.150000000000006 112.386 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.96 -52.05 8.79 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.223 0.823 . . . . 63.32 113.223 -174.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.59 -16.72 54.5 Favored Glycine 0 C--O 1.243 0.711 0 C-N-CA 120.704 -0.76 . . . . 41.409999999999997 113.063 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 631' ' ' SER . 30.5 ttm180 66.79 -60.69 0.34 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.656 1.582 . . . . 72.030000000000001 113.716 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 95.1 mt 62.13 -173.63 0.14 Allowed 'General case' 0 C--O 1.252 1.202 0 C-N-CA 123.476 0.71 . . . . 72.319999999999993 110.399 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.467 HH11 ' CG ' ' A' ' 640' ' ' ASP . 0.6 OUTLIER -155.21 173.12 17.07 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.581 -0.525 . . . . 70.540000000000006 109.581 176.265 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 84.9 t -80.12 147.05 6.79 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 109.117 -0.697 . . . . 65.25 109.117 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 66.11 35.39 6.22 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.086 -1.45 . . . . 73.420000000000002 107.086 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.9 t0 -94.35 130.4 40.68 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.233 -1.348 . . . . 75.239999999999995 108.911 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 681' ' ' ALA . 21.8 tp60 -86.09 110.39 19.5 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 123.413 0.446 . . . . 64.329999999999998 111.996 -172.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.09 120.22 21.09 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 109.162 -0.681 . . . . 62.32 109.162 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.5 mm -102.2 -59.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 115.503 -0.772 . . . . 73.129999999999995 111.098 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.48 137.06 39.97 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.206 -0.906 . . . . 72.239999999999995 108.746 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 662' ' ' LEU . 34.5 m -117.45 125.02 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.306 1.051 . . . . 74.209999999999994 112.124 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.42 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 42.5 t30 52.91 38.29 26.56 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 126.642 1.977 . . . . 62.140000000000001 113.135 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.68 -3.32 60.92 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.941 -1.027 . . . . 74.299999999999997 114.167 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.96 134.81 55.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 117.445 0.622 . . . . 61.530000000000001 111.299 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 650' ' ' LEU . 48.4 m -83.24 144.76 29.54 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.473 0.916 . . . . 64.340000000000003 113.473 -175.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 649' ' ' SER . 6.8 mp -124.92 19.63 8.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.722 -0.672 . . . . 73.540000000000006 110.604 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.38 96.69 5.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 112.546 0.573 . . . . 65.430000000000007 112.546 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.86 -30.9 3.16 Favored Glycine 0 N--CA 1.431 -1.681 0 C-N-CA 120.271 -0.966 . . . . 71.030000000000001 112.869 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.49 154.14 40.04 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 120.769 0.319 . . . . 74.120000000000005 111.163 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.531 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -66.2 161.93 21.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 61.439999999999998 111.988 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.85 -48.3 51.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 123.589 0.556 . . . . 71.219999999999999 112.283 -178.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.1 pt20 -68.45 -38.58 81.24 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.879 -0.6 . . . . 71.299999999999997 112.594 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.36 -39.43 93.87 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.264 -1.013 . . . . 75.450000000000003 108.264 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.58 79.73 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.222 -1.354 . . . . 73.310000000000002 110.098 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.413 ' HE2' ' C ' ' B' ' 780' ' ' GLU . 62.8 mtt -60.48 -40.47 91.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.281 0.475 . . . . 75.349999999999994 112.281 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 23.4 mm-40 -62.96 -44.97 94.61 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.907 0.384 . . . . 71.049999999999997 110.467 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 85.1 m -66.43 -43.59 85.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.014 -0.736 . . . . 73.319999999999993 109.014 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 645' ' ' VAL . 0.7 OUTLIER -59.09 -56.01 27.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.063 -0.971 . . . . 74.439999999999998 112.375 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -58.98 -42.3 89.63 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.267 0.556 . . . . 74.530000000000001 110.786 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.98 -50.45 55.62 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.104 -0.953 . . . . 73.25 111.769 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 669' ' ' GLU . 25.2 m -77.09 -29.02 54.75 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.73 -0.606 . . . . 71.109999999999999 111.564 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.437 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 3.9 ppp? -75.65 -27.91 58.56 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.778 -0.769 . . . . 62.109999999999999 110.599 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 23.3 t -93.03 -56.23 3.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.432 -0.349 . . . . 74.430000000000007 110.448 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.4 m -64.77 -56.09 15.73 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.472 -0.331 . . . . 64.140000000000001 111.362 -175.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 665' ' ' SER . 39.7 mm-40 -74.3 -23.22 59.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.192 0.52 . . . . 54.240000000000002 110.24 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.49 -55.3 26.24 Favored Glycine 0 CA--C 1.498 -0.996 0 N-CA-C 111.114 -0.794 . . . . 64.340000000000003 111.114 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.2 -26.93 62.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.806 0.336 . . . . 70.420000000000002 110.527 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -57.11 -56.06 26.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.487 0.715 . . . . 72.230000000000004 110.005 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . 0.408 HH12 ' HB2' ' A' ' 677' ' ' GLN . 71.0 mtp180 -76.4 -39.92 52.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.477 0.656 . . . . 73.040000000000006 109.815 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.97 43.26 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.511 -1.436 . . . . 71.510000000000005 109.511 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.6 ptm -144.86 153.37 41.52 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.497 -0.851 . . . . 62.32 108.821 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.494 HG23 HD22 ' A' ' 601' ' ' LEU . 10.9 tt -115.28 144.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 CA-C-N 115.421 -0.809 . . . . 54.100000000000001 111.009 -176.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . 0.408 ' HB2' HH12 ' A' ' 673' ' ' ARG . 35.1 tt0 -108.87 138.7 44.79 Favored 'General case' 0 C--O 1.196 -1.729 0 N-CA-C 109.35 -0.611 . . . . 65.299999999999997 109.35 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -128.47 123.07 32.7 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 121.626 -0.671 . . . . 71.239999999999995 109.49 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.487 ' N ' HD13 ' A' ' 679' ' ' ILE . 2.5 mp -106.08 115.92 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.69 0 N-CA-C 106.547 -1.649 . . . . 72.040000000000006 106.547 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.4 m -123.03 152.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.736 0 N-CA-C 109.015 -0.735 . . . . 65.030000000000001 109.015 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 641' ' ' GLN . . . -111.67 126.02 54.58 Favored 'General case' 0 C--N 1.271 -2.819 0 N-CA-C 106.649 -1.611 . . . . 64.209999999999994 106.649 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -107.77 129.03 55.08 Favored 'General case' 0 N--CA 1.411 -2.381 0 C-N-CA 118.838 -1.145 . . . . 72.430000000000007 108.485 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.11 122.65 21.34 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.662 -1.154 . . . . 73.109999999999999 108.927 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 61.0 mt -82.59 -38.0 14.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-O 121.872 0.844 . . . . 74.430000000000007 109.147 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 14.3 t -99.11 108.63 21.31 Favored 'General case' 0 C--N 1.274 -2.688 0 CA-C-N 114.67 -1.15 . . . . 72.530000000000001 108.637 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -136.95 28.8 2.86 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.504 -1.295 . . . . 75.030000000000001 107.504 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.18 124.22 22.48 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 113.891 -1.504 . . . . 72.0 111.043 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 68.66 87.68 0.12 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.279 1.032 . . . . 71.120000000000005 110.7 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 N-CA-C 107.663 -1.236 . . . . 65.329999999999998 107.663 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.81 0.338 . . . . 60.509999999999998 110.553 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . 0.531 ' O ' HD13 ' B' ' 770' ' ' LEU . 2.6 pp -147.58 115.22 6.37 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 121.687 0.756 . . . . 75.430000000000007 112.675 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -149.97 5.74 0.58 Allowed 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.411 -0.813 . . . . 72.239999999999995 109.834 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 158.99 30.64 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.099 -0.955 . . . . 62.530000000000001 113.283 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . 0.462 ' O ' HD12 ' B' ' 773' ' ' LEU . 2.9 pp 178.63 135.64 0.09 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.428 1.491 . . . . 73.239999999999995 110.662 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -107.43 -3.57 19.39 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 106.958 -1.497 . . . . 74.129999999999995 106.958 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 159.63 170.19 23.89 Favored Glycine 0 N--CA 1.396 -3.979 0 CA-C-N 113.318 -1.764 . . . . 65.109999999999999 108.805 178.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 776' ' ' SER . . . . . 0.441 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 37.1 m -91.31 96.26 10.45 Favored 'General case' 0 C--N 1.283 -2.319 0 N-CA-C 107.478 -1.304 . . . . 63.549999999999997 107.478 175.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.38 111.2 54.4 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 114.954 -1.021 . . . . 65.540000000000006 112.623 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' B' ' 776' ' ' SER . 2.7 Cg_endo -88.76 -4.72 6.24 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 122.193 1.928 . . . . 64.519999999999996 109.417 170.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 59.82 81.45 0.17 Allowed 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.864 1.266 . . . . 73.420000000000002 108.28 -174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . 0.413 ' C ' ' HE2' ' A' ' 659' ' ' MET . 44.7 mt-10 -87.65 98.39 11.4 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-O 121.96 0.886 . . . . 37.710000000000001 113.212 -171.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 606' ' ' LYS . 25.6 mt-10 -128.46 147.3 50.66 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 125.437 1.495 . . . . 72.25 109.745 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.41 134.58 21.65 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.091 -1.448 . . . . 73.239999999999995 107.091 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.5 mp -109.29 125.43 66.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.787 -0.82 . . . . 60.450000000000003 108.787 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 662' ' ' LEU . 12.2 pt . . . . . 0 N--CA 1.391 -3.406 0 N-CA-C 107.419 -1.326 . . . . 62.350000000000001 107.419 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.709 0 N-CA-C 109.646 -1.382 . . . . 50.109999999999999 109.646 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 44.5 m -80.55 92.62 5.95 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 107.615 -1.254 . . . . 71.209999999999994 107.615 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -128.3 -177.29 4.1 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.601 -0.727 . . . . 63.009999999999998 109.616 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -154.75 36.73 0.67 Allowed Glycine 0 N--CA 1.422 -2.241 0 N-CA-C 111.565 -0.614 . . . . 74.420000000000002 111.565 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 10.0 t -88.98 -25.86 21.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.095 0.474 . . . . 73.329999999999998 109.769 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -146.05 141.83 28.0 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.65 -0.87 . . . . 74.530000000000001 108.65 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -110.5 134.32 52.47 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 120.634 0.254 . . . . 55.350000000000001 111.04 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -95.8 121.73 37.84 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.97 -0.559 . . . . 71.200000000000003 109.723 175.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.4 mp -121.91 147.24 46.26 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.642 -0.503 . . . . 53.399999999999999 109.642 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 56.6 m -114.24 121.37 43.51 Favored 'General case' 0 N--CA 1.407 -2.578 0 N-CA-C 108.91 -0.774 . . . . 75.400000000000006 108.91 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.89 129.81 53.17 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.095 -0.706 . . . . 72.019999999999996 109.095 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -111.93 123.41 50.2 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.149 -1.056 . . . . 75.519999999999996 108.149 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . 0.431 ' HB ' HG21 ' A' ' 676' ' ' ILE . 79.2 t -122.24 116.97 29.54 Favored Pre-proline 0 C--N 1.279 -2.477 0 CA-C-N 115.257 -0.883 . . . . 75.400000000000006 110.109 -171.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -77.38 142.4 21.1 Favored 'Trans proline' 0 N--CA 1.428 -2.346 0 C-N-CA 121.141 1.227 . . . . 75.420000000000002 109.632 174.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -78.38 78.5 4.85 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.472 0.653 . . . . 74.109999999999999 109.42 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.54 -92.92 0.12 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.962 -1.017 . . . . 75.530000000000001 110.858 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.6 93.05 4.21 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 107.534 -1.284 . . . . 73.129999999999995 107.534 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.27 41.24 0.32 Allowed 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 105.613 -1.995 . . . . 75.109999999999999 105.613 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.87 -28.76 33.77 Favored Glycine 0 C--N 1.29 -2.023 0 CA-C-N 113.46 -1.7 . . . . 55.399999999999999 111.274 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 46.3 p -71.69 -33.0 68.44 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.982 0.896 . . . . 71.140000000000001 110.268 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -150.62 119.94 6.85 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.779 -1.563 . . . . 60.030000000000001 106.779 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . 0.417 ' C ' HD13 ' A' ' 601' ' ' LEU . . . -44.4 -49.35 8.4 Favored Glycine 0 N--CA 1.478 1.497 0 O-C-N 124.653 1.221 . . . . 60.140000000000001 113.624 -173.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 600' ' ' GLY . 9.8 mp -122.8 -32.6 3.51 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.623 . . . . 71.140000000000001 109.824 171.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 92.62 41.21 4.81 Favored Glycine 0 N--CA 1.4 -3.723 0 CA-C-N 114.569 -1.196 . . . . 71.349999999999994 111.412 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.8 t -127.73 151.54 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 N-CA-C 106.772 -1.566 . . . . 64.530000000000001 106.772 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.2 m -116.73 133.52 55.91 Favored 'General case' 0 N--CA 1.406 -2.634 0 N-CA-C 107.719 -1.215 . . . . 75.040000000000006 107.719 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.49 HG12 ' CD2' ' A' ' 642' ' ' LEU . 3.3 m -125.88 161.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.653 0 CA-C-N 115.841 -0.618 . . . . 62.32 112.037 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -150.88 154.3 36.95 Favored 'General case' 0 C--N 1.278 -2.523 0 CA-C-N 115.119 -0.946 . . . . 62.43 108.868 174.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -103.87 129.66 9.95 Favored Glycine 0 C--N 1.292 -1.89 0 C-N-CA 118.583 -1.77 . . . . 52.130000000000003 111.634 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -95.6 141.69 28.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 71.109999999999999 108.894 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.461 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 59.2 ttp180 -134.12 134.91 42.78 Favored 'General case' 0 N--CA 1.417 -2.075 0 N-CA-C 107.823 -1.177 . . . . 72.439999999999998 107.823 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 613' ' ' ASN . 21.8 m -68.31 127.34 32.58 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.464 -0.939 . . . . 65.450000000000003 108.464 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' B' ' 775' ' ' GLY . 60.9 tttp -66.31 -69.45 0.3 Allowed 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.44 0.533 . . . . 71.140000000000001 112.44 -175.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.33 -17.68 56.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.022 0.439 . . . . 63.219999999999999 112.142 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 610' ' ' SER . 47.9 t30 -84.63 -26.85 27.57 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.645 -0.502 . . . . 63.350000000000001 109.645 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.88 9.89 6.45 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.144 1.165 . . . . 73.25 114.144 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -102.43 148.82 25.03 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.473 -0.936 . . . . 62.119999999999997 108.473 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.4 p-10 -84.71 151.07 24.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.844 -0.428 . . . . 73.510000000000005 109.844 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 89.3 mt -99.56 -11.1 21.3 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.679 -0.86 . . . . 70.439999999999998 108.679 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 106.69 -165.2 13.38 Favored Glycine 0 C--N 1.308 -0.998 0 CA-C-N 115.087 -0.961 . . . . 74.299999999999997 112.676 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 47.9 mm -103.21 126.86 57.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 109.199 -0.667 . . . . 71.510000000000005 109.199 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -128.3 153.71 46.7 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.031 0.443 . . . . 74.400000000000006 110.616 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.455 ' HA ' HG11 ' A' ' 605' ' ' VAL . 58.3 t -68.77 138.27 22.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 115.569 -0.741 . . . . 55.210000000000001 110.01 174.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -107.79 -45.58 3.98 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.823 -0.626 . . . . 74.540000000000006 110.288 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 43.0 p -149.07 144.92 26.98 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 110.249 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -99.41 129.64 49.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.004 -0.739 . . . . 70.409999999999997 109.004 176.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 74.7 mt -87.35 125.79 41.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 108.557 -0.905 . . . . 42.399999999999999 108.557 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.24 82.02 8.18 Favored 'General case' 0 C--N 1.292 -1.891 0 C-N-CA 120.341 -0.544 . . . . 62.43 109.614 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 167.08 33.32 0.02 OUTLIER Glycine 0 C--N 1.315 -0.607 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.509 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -137.53 156.21 23.44 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.847 -0.901 . . . . 72.209999999999994 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.37 95.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.941 0.37 . . . . 73.230000000000004 111.765 -176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.27 83.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.508 0.671 . . . . 53.009999999999998 109.892 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 42.0 t -64.68 -48.32 75.18 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 114.058 -1.428 . . . . 54.119999999999997 110.173 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -74.38 -51.07 16.12 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.898 0.703 . . . . 72.340000000000003 112.898 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.84 -48.85 15.5 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 119.721 -0.792 . . . . 72.219999999999999 112.084 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -76.35 -42.84 21.96 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.837 -0.697 . . . . 51.409999999999997 113.74 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 60.32 82.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.326 0.584 . . . . 75.530000000000001 111.161 -176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.4 166.65 20.23 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.972 -0.558 . . . . 75.120000000000005 110.711 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.569 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.7 mpt_? -107.88 167.27 10.1 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.733 -1.21 . . . . 64.340000000000003 107.733 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.13 139.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 N-CA-C 107.911 -1.144 . . . . 72.230000000000004 107.911 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 66.71 26.21 9.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.491 1.116 . . . . 72.25 109.637 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.33 142.1 32.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.541 -1.209 . . . . 72.239999999999995 108.035 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -88.32 117.32 27.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.029 0.532 . . . . 73.439999999999998 111.77 -172.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.49 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.3 mp -81.29 131.41 35.29 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.574 -0.528 . . . . 65.120000000000005 109.574 176.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.4 HG23 HD21 ' A' ' 651' ' ' LEU . 42.9 mm -113.51 -57.01 4.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 CA-C-O 121.513 0.673 . . . . 72.530000000000001 111.584 -173.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.402 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -140.95 150.28 42.92 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.622 -0.717 . . . . 71.549999999999997 109.559 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.14 137.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 121.096 0.474 . . . . 63.210000000000001 111.937 -177.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.53 14.67 6.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.941 1.696 . . . . 54.399999999999999 111.189 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.2 -5.7 52.87 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.692 -0.766 . . . . 71.310000000000002 112.022 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -108.0 132.54 53.42 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.097 0.475 . . . . 64.209999999999994 110.531 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -90.28 138.77 31.26 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.339 -0.392 . . . . 55.140000000000001 110.008 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.452 ' H ' HD21 ' A' ' 650' ' ' LEU . 1.4 pt? -129.25 10.44 5.79 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.196 0.522 . . . . 74.530000000000001 110.681 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.4 HD21 HG23 ' A' ' 643' ' ' ILE . 54.5 tp -73.64 93.1 2.02 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-N 115.435 -0.802 . . . . 70.150000000000006 109.687 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.32 -25.86 0.68 Allowed Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.496 -0.859 . . . . 64.319999999999993 112.312 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -84.66 167.28 16.34 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.661 -0.415 . . . . 75.530000000000001 110.123 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -67.94 164.47 19.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.852 -0.158 . . . . 62.130000000000003 110.757 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.645 ' O ' ' HG3' ' A' ' 659' ' ' MET . 94.6 m-20 -59.28 -49.02 79.44 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.006 0.743 . . . . 64.5 113.006 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -34.85 78.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.23 0.538 . . . . 74.329999999999998 110.483 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.35 -48.38 70.38 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.155 -0.929 . . . . 73.200000000000003 108.616 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.24 94.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.72 -1.127 . . . . 73.510000000000005 111.255 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 80.7 mtp -64.63 -38.04 89.63 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.65 -0.25 . . . . 75.030000000000001 110.973 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.07 -44.61 75.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 N-CA-C 108.946 -0.761 . . . . 74.120000000000005 108.946 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.7 m -58.26 -41.7 84.86 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.387 0.613 . . . . 74.25 109.956 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 666' ' ' MET . 43.6 tp -66.6 -56.79 9.11 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.856 -1.066 . . . . 73.450000000000003 112.674 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 659' ' ' MET . 15.4 ptm180 -63.99 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.048 0.451 . . . . 71.409999999999997 111.151 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -65.35 -50.88 63.92 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 115.792 -0.64 . . . . 75.230000000000004 111.255 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 35.8 p -75.59 -36.35 60.36 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.832 -0.747 . . . . 73.430000000000007 111.704 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.543 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 3.4 ppp? -70.59 -26.87 63.72 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.214 -0.594 . . . . 64.140000000000001 111.584 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 40.3 t -93.03 -55.99 3.14 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 116.422 -0.354 . . . . 72.120000000000005 110.768 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 96.7 m -66.42 -43.72 84.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.534 0.568 . . . . 70.129999999999995 112.534 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -100.34 -5.42 27.38 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.617 -0.433 . . . . 63.109999999999999 110.991 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.75 -68.33 1.7 Allowed Glycine 0 C--O 1.251 1.184 0 N-CA-C 109.522 -1.431 . . . . 72.099999999999994 109.522 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -81.73 70.19 8.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.712 1.244 . . . . 73.219999999999999 109.794 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -164.1 -39.29 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.609 -1.632 . . . . 64.239999999999995 108.481 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' ' 673' ' ' ARG . 3.9 mmp_? -98.21 -9.97 24.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.709 -0.678 . . . . 63.340000000000003 111.068 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 84.73 -38.18 2.94 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.047 -0.597 . . . . 44.310000000000002 111.705 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.6 ptm -133.83 141.76 47.57 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 109.544 -0.539 . . . . 73.510000000000005 109.544 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.431 HG21 ' HB ' ' A' ' 591' ' ' VAL . 9.5 tt -111.34 138.34 40.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 115.145 -0.934 . . . . 54.109999999999999 110.459 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -103.85 138.12 40.88 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.622 -0.717 . . . . 71.030000000000001 110.658 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.6 mm? -129.32 131.99 47.03 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.423 -0.584 . . . . 74.439999999999998 109.423 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 90.7 mt -119.45 116.73 51.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 108.893 -0.78 . . . . 64.200000000000003 108.893 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.8 158.9 37.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 114.639 -1.164 . . . . 72.239999999999995 109.883 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.24 124.49 48.0 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.055 -0.72 . . . . 63.009999999999998 109.055 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 682' ' ' ARG . 2.7 ppt_? -109.84 121.7 45.84 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 109.073 -0.714 . . . . 71.25 109.073 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -85.31 140.97 30.39 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.409 -0.814 . . . . 75.140000000000001 111.816 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.2 mm -82.8 104.01 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.651 0 N-CA-C 105.793 -1.929 . . . . 63.509999999999998 105.793 174.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 43.4 t -151.18 108.61 3.62 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 121.482 0.658 . . . . 75.140000000000001 111.034 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -104.12 -5.12 22.34 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.495 -1.298 . . . . 74.219999999999999 107.495 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.08 -15.5 55.8 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.556 -1.202 . . . . 50.020000000000003 109.444 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -165.27 94.3 0.63 Allowed 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 106.552 -1.647 . . . . 71.209999999999994 106.552 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 115.749 -0.66 . . . . 55.25 110.103 -177.105 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.241 0.629 0 CA-C-O 121.676 0.75 . . . . 74.239999999999995 110.348 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 2.4 pp -138.61 152.69 48.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.468 -0.787 . . . . 73.409999999999997 111.395 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.16 81.78 2.01 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.35 0.595 . . . . 75.010000000000005 109.766 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -95.23 103.55 15.41 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.45 -0.796 . . . . 75.129999999999995 109.878 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 96.1 mt -147.38 129.0 15.09 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.09 -0.959 . . . . 65.099999999999994 109.499 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -144.51 88.73 1.95 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 122.103 0.954 . . . . 75.239999999999995 108.494 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . 0.501 ' O ' ' HD2' ' A' ' 611' ' ' LYS . . . 153.82 -108.32 0.36 Allowed Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.123 -1.991 . . . . 38.079999999999998 108.123 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 13.9 m 62.59 103.02 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 113.647 0.98 . . . . 74.030000000000001 113.647 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' B' ' 779' ' ' GLN . 5.1 p-10 -79.11 175.95 4.22 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 106.214 -1.772 . . . . 75.420000000000002 106.214 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.67 -24.65 38.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.785 1.657 . . . . 72.120000000000005 112.575 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' B' ' 777' ' ' ASP . 48.7 mt-30 61.35 19.87 10.58 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 124.303 1.041 . . . . 54.140000000000001 111.128 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -83.27 105.95 14.65 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-N 114.619 -1.173 . . . . 61.539999999999999 108.948 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -105.85 140.98 38.04 Favored 'General case' 0 C--N 1.263 -3.155 0 CA-C-N 113.748 -1.569 . . . . 72.120000000000005 109.939 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . 0.459 ' HB2' ' HE1' ' A' ' 659' ' ' MET . 3.3 tm? -138.83 130.63 27.74 Favored 'General case' 0 N--CA 1.405 -2.719 0 N-CA-C 108.135 -1.061 . . . . 64.120000000000005 108.135 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -101.2 132.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 N-CA-C 109.292 -0.633 . . . . 75.540000000000006 109.292 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.543 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 25.0 pt . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 118.555 -0.736 . . . . 74.209999999999994 109.041 176.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.287 0 N-CA-C 110.369 -1.092 . . . . 45.020000000000003 110.369 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 42.9 m 54.65 32.77 17.87 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.513 0.673 . . . . 73.409999999999997 109.852 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.09 -33.63 71.05 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 114.687 -1.142 . . . . 64.129999999999995 111.219 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -177.44 -175.8 44.98 Favored Glycine 0 N--CA 1.416 -2.685 0 C-N-CA 120.358 -0.925 . . . . 35.630000000000003 112.051 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 20.8 m -101.77 21.3 14.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.723 -1.214 . . . . 73.209999999999994 107.723 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -126.62 152.33 46.81 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.456 -0.793 . . . . 72.010000000000005 109.982 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 11.1 pt-20 -126.13 163.28 23.46 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.56 -0.904 . . . . 74.530000000000001 108.56 175.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -105.01 136.99 43.45 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.116 0.413 . . . . 71.420000000000002 112.116 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -127.36 142.29 51.47 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.766 -0.828 . . . . 64.540000000000006 108.766 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 91.4 m -110.05 122.64 48.07 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.989 -0.55 . . . . 72.329999999999998 109.845 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.79 142.08 50.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.401 -0.592 . . . . 74.409999999999997 109.401 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -122.25 132.19 54.3 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.308 0.575 . . . . 72.120000000000005 109.891 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 71.5 t -121.15 117.57 30.59 Favored Pre-proline 0 C--N 1.285 -2.219 0 CA-C-N 115.175 -0.921 . . . . 70.209999999999994 109.205 -173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.44 147.87 23.04 Favored 'Trans proline' 0 N--CA 1.434 -1.984 0 C-N-CA 121.278 1.319 . . . . 75.109999999999999 111.177 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.87 77.54 2.13 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.777 0.799 . . . . 72.439999999999998 110.124 177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 596' ' ' SER . 4.4 m-20 -108.68 -74.71 0.65 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.362 -1.29 . . . . 55.439999999999998 110.653 -178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.88 29.81 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.231 1.015 . . . . 73.129999999999995 110.75 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 594' ' ' ASN . 22.6 m -74.73 -5.01 40.86 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.252 -1.34 . . . . 73.510000000000005 112.387 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.27 -20.71 60.04 Favored Glycine 0 N--CA 1.419 -2.474 0 C-N-CA 120.063 -1.065 . . . . 74.329999999999998 110.505 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 50.8 m -76.12 -25.42 55.37 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.242 0.544 . . . . 63.399999999999999 110.257 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -165.97 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.909 -1.041 . . . . 63.240000000000002 109.638 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 171.55 -67.78 0.13 Allowed Glycine 0 C--N 1.293 -1.819 0 N-CA-C 107.737 -2.145 . . . . 74.5 107.737 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 630' ' ' ALA . 7.7 mp -109.37 -37.5 5.73 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.075 -1.083 . . . . 72.109999999999999 108.075 171.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 92.77 46.24 3.46 Favored Glycine 0 N--CA 1.405 -3.415 0 CA-C-N 114.365 -1.289 . . . . 44.049999999999997 110.136 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.7 t -133.95 152.5 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 106.735 -1.58 . . . . 74.319999999999993 106.735 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.545 ' CB ' ' HE3' ' A' ' 622' ' ' LYS . 18.8 m -121.03 130.64 53.87 Favored 'General case' 0 N--CA 1.397 -3.11 0 N-CA-C 108.148 -1.056 . . . . 74.409999999999997 108.148 173.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 642' ' ' LEU . 4.5 m -123.43 156.96 29.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 115.781 -0.645 . . . . 63.219999999999999 110.935 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -149.74 153.83 37.52 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.896 -0.779 . . . . 65.420000000000002 108.896 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.29 156.58 17.26 Favored Glycine 0 N--CA 1.421 -2.335 0 C-N-CA 119.386 -1.388 . . . . 52.329999999999998 111.502 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -123.13 147.13 47.13 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.57 -0.53 . . . . 54.100000000000001 109.57 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 2.2 tmm_? -127.21 125.71 41.52 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.093 -1.077 . . . . 73.310000000000002 108.093 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' A' ' 613' ' ' ASN . 64.4 p -77.23 130.92 37.89 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.176 0.436 . . . . 74.540000000000006 112.176 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -79.34 -37.34 37.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.254 0.549 . . . . 71.420000000000002 111.845 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 612' ' ' GLU . 0.0 OUTLIER -97.36 -32.72 11.73 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.214 -0.448 . . . . 60.310000000000002 110.958 -175.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . 0.547 ' HB3' ' OG ' ' A' ' 610' ' ' SER . 27.9 t-20 -76.92 -24.0 52.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.041 0.448 . . . . 54.329999999999998 109.861 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 44.7 m80 69.35 22.73 6.44 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.469 1.108 . . . . 75.439999999999998 112.915 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.2 171.36 14.12 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.962 -0.755 . . . . 73.310000000000002 108.962 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.9 p-10 -91.36 144.96 25.05 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.896 -1.122 . . . . 65.519999999999996 108.582 174.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -88.82 -2.68 58.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.418 0.628 . . . . 62.329999999999998 110.163 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.54 -161.16 18.88 Favored Glycine 0 C--N 1.294 -1.783 0 CA-C-N 115.287 -0.869 . . . . 35.630000000000003 111.633 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.67 130.62 66.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.485 -0.932 . . . . 51.439999999999998 108.485 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -125.96 149.13 49.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.657 0.265 . . . . 64.129999999999995 111.198 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.44 ' HA ' HG11 ' A' ' 605' ' ' VAL . 92.7 t -68.48 132.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.059 -0.719 . . . . 73.400000000000006 109.059 171.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.545 ' HE3' ' CB ' ' A' ' 604' ' ' SER . 14.0 pttp -109.35 -38.56 5.45 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 108.985 -0.746 . . . . 72.430000000000007 108.985 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 30.2 p -149.74 143.92 25.73 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.724 -0.671 . . . . 71.310000000000002 110.461 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.5 139.76 21.88 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 N-CA-C 108.658 -0.867 . . . . 64.340000000000003 108.658 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 84.2 mt -95.64 113.25 29.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 108.653 -0.869 . . . . 73.209999999999994 108.653 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -63.62 118.41 8.19 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.439 -0.8 . . . . 73.519999999999996 111.533 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.07 -13.93 23.86 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.49 -0.777 . . . . 35.630000000000003 111.303 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -66.32 152.66 52.19 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 121.219 -0.515 . . . . 64.310000000000002 112.311 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.18 76.51 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.765 0.317 . . . . 54.43 110.912 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.91 -26.6 63.29 Favored 'General case' 0 CA--C 1.491 -1.299 0 CA-C-O 121.334 0.588 . . . . 74.340000000000003 110.198 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 48.1 t -74.13 -52.27 13.07 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 114.847 -1.07 . . . . 75.450000000000003 109.184 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.15 -51.32 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.002 0.741 . . . . 71.430000000000007 113.002 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.04 -51.03 9.54 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.029 -0.668 . . . . 52.43 110.486 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -71.53 -42.73 54.86 Favored Glycine 0 CA--C 1.517 0.17 0 CA-C-N 115.261 -0.881 . . . . 41.240000000000002 114.22 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? 68.87 33.39 3.61 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.955 0.502 . . . . 74.530000000000001 111.654 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 170.82 5.11 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.214 0.45 . . . . 72.150000000000006 112.214 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -135.25 175.56 9.48 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.359 0.874 . . . . 72.120000000000005 113.359 -173.528 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 77.4 t -79.06 149.33 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.62 -0.881 . . . . 74.5 108.62 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.64 11.33 6.43 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.383 1.087 . . . . 75.010000000000005 109.103 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.622 ' HB2' ' O ' ' A' ' 637' ' ' ARG . 13.6 t0 -69.34 121.43 16.89 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.43 -1.259 . . . . 72.340000000000003 107.88 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -81.57 111.01 17.48 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 122.957 0.503 . . . . 74.129999999999995 111.354 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.455 ' CD2' HG12 ' A' ' 605' ' ' VAL . 8.0 mp -76.75 122.6 24.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.897 0.38 . . . . 62.009999999999998 110.406 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.36 -52.58 6.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.388 -0.824 . . . . 75.099999999999994 109.993 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -139.23 148.13 42.68 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.395 -0.366 . . . . 54.140000000000001 110.313 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 678' ' ' LEU . 14.9 p -134.01 126.81 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-O 121.624 0.726 . . . . 60.219999999999999 111.385 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 54.06 34.09 19.12 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 126.089 1.756 . . . . 73.150000000000006 110.282 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.62 58.4 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.628 -0.796 . . . . 72.219999999999999 113.77 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -94.72 144.86 25.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 117.715 0.758 . . . . 75.129999999999995 109.598 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 23.1 t -91.31 141.51 28.7 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.566 0.698 . . . . 74.030000000000001 111.767 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.67 -167.42 1.29 Allowed 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.142 -1.799 . . . . 35.630000000000003 106.142 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 6.2 tt 71.78 -46.23 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.556 0.742 . . . . 73.109999999999999 112.284 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -71.05 -7.32 62.32 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 110.961 -0.855 . . . . 52.350000000000001 110.961 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -122.47 152.1 40.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 107.097 -1.446 . . . . 73.439999999999998 107.097 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.85 166.07 7.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.416 0.525 . . . . 45.439999999999998 112.416 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.32 -47.61 47.04 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.81 0.844 . . . . 74.140000000000001 112.581 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . 0.513 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -60.9 -47.64 85.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.331 -0.849 . . . . 72.040000000000006 109.203 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -66.37 -40.79 89.96 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.964 -1.471 . . . . 63.039999999999999 110.008 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.18 68.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.981 -1.009 . . . . 54.310000000000002 110.957 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.581 ' HE2' ' O ' ' B' ' 780' ' ' GLU . 61.9 mtt -61.8 -37.17 83.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 112.279 0.474 . . . . 73.140000000000001 112.279 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.15 -47.76 81.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 109.428 -0.582 . . . . 75.010000000000005 109.428 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 89.4 m -64.21 -45.18 89.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.474 -0.785 . . . . 71.230000000000004 109.358 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.56 -55.33 33.24 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.437 -1.256 . . . . 75.230000000000004 111.459 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.421 ' HD2' HD23 ' B' ' 782' ' ' LEU . 81.8 mtp180 -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.861 0.362 . . . . 72.329999999999998 110.822 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -61.91 -51.59 67.53 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 115.412 -0.813 . . . . 63.43 110.247 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 59.7 m -78.22 -30.29 48.77 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.643 0.608 . . . . 72.439999999999998 112.643 -174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.516 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 3.9 ppp? -74.96 -30.24 61.15 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.537 -0.865 . . . . 65.0 110.637 -177.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 16.4 t -92.92 -54.47 3.73 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.315 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 75.1 m -67.95 -57.14 6.69 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.963 0.411 . . . . 71.530000000000001 111.224 -175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.05 -18.72 38.69 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.023 -0.535 . . . . 74.230000000000004 111.153 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.44 19.85 Favored Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 111.354 -0.698 . . . . 74.430000000000007 111.354 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -71.96 -12.54 61.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.094 0.473 . . . . 75.5 111.641 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -82.22 -50.39 9.04 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 116.41 -0.359 . . . . 74.319999999999993 110.178 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.45 -10.16 59.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.001 0.741 . . . . 70.049999999999997 113.001 -176.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.14 -29.83 5.41 Favored Glycine 0 C--O 1.243 0.713 0 C-N-CA 120.362 -0.923 . . . . 71.329999999999998 112.409 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.54 157.18 46.25 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.069 -0.715 . . . . 73.109999999999999 109.069 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . . . . . . . . . 10.1 tt -116.98 138.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 115.473 -0.785 . . . . 74.040000000000006 110.144 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.23 137.7 42.59 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.914 -0.585 . . . . 61.530000000000001 110.085 -177.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 645' ' ' VAL . 1.2 mm? -130.41 130.2 44.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.937 -0.477 . . . . 73.439999999999998 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 679' ' ' ILE . 2.7 mp -109.07 117.95 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 106.831 -1.544 . . . . 64.109999999999999 106.831 170.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.506 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.7 m -123.59 153.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 CA-C-N 115.568 -0.742 . . . . 72.299999999999997 109.403 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.5 138.97 47.34 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.276 -0.42 . . . . 54.229999999999997 110.224 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . 0.457 ' HB3' ' NH2' ' A' ' 637' ' ' ARG . 2.1 ppt_? -118.11 142.78 47.06 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 120.078 -0.649 . . . . 65.010000000000005 109.45 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.0 122.78 21.46 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.781 -1.192 . . . . 72.299999999999997 107.781 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 682' ' ' ARG . 63.9 mt -73.03 -50.8 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 CA-C-O 121.046 0.45 . . . . 74.439999999999998 110.329 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 37.6 m 57.72 26.2 12.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.46 -1.246 . . . . 64.299999999999997 111.298 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 68.84 8.06 6.55 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.221 1.008 . . . . 72.209999999999994 111.905 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.32 113.77 20.95 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.638 -0.875 . . . . 74.409999999999997 108.638 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -84.68 108.22 17.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 120.698 -0.401 . . . . 72.439999999999998 111.539 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.723 0.809 . . . . 64.430000000000007 109.481 177.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 109.2 -0.667 . . . . 72.129999999999995 109.2 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . 0.335 1.6 pp -88.46 80.1 7.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.647 1.213 . . . . 73.400000000000006 113.809 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -126.92 23.56 6.58 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.522 -1.217 . . . . 50.43 108.631 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.5 177.37 1.56 Allowed 'General case' 0 C--O 1.252 1.223 0 CA-C-N 114.837 -1.074 . . . . 74.109999999999999 112.441 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 91.7 mt 66.66 89.89 0.1 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.302 1.441 . . . . 62.350000000000001 112.726 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -106.84 -41.33 5.24 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.396 -1.705 . . . . 63.299999999999997 106.396 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -85.89 83.67 1.61 Allowed Glycine 0 N--CA 1.429 -1.817 0 N-CA-C 104.869 -3.292 . . . . 75.530000000000001 104.869 166.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 22.1 p -68.09 88.08 0.28 Allowed 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 117.529 2.418 . . . . 62.119999999999997 117.529 -167.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' B' ' 779' ' ' GLN . 5.8 p-10 -96.1 112.08 58.44 Favored Pre-proline 0 N--CA 1.429 -1.476 0 N-CA-C 105.095 -2.187 . . . . 62.520000000000003 105.095 163.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.91 35.36 0.34 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.373 2.716 . . . . 71.329999999999998 113.838 -172.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' B' ' 777' ' ' ASP . 64.0 tt0 51.13 78.32 0.11 Allowed 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 124.637 1.175 . . . . 63.539999999999999 111.583 -176.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . 0.581 ' O ' ' HE2' ' A' ' 659' ' ' MET . 41.4 mt-10 -115.79 90.96 3.46 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 107.569 -1.271 . . . . 53.149999999999999 107.569 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.402 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 56.6 mt-10 -109.98 136.36 49.37 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.233 -1.349 . . . . 64.200000000000003 109.853 -176.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . 0.461 HD21 ' SD ' ' A' ' 659' ' ' MET . 0.1 OUTLIER -126.86 129.44 48.25 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 107.342 -1.355 . . . . 75.150000000000006 107.342 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.81 127.5 57.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 C-N-CA 120.444 -0.502 . . . . 63.340000000000003 109.683 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.516 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 28.0 pt . . . . . 0 N--CA 1.411 -2.412 0 CA-C-N 115.488 -0.778 . . . . 64.409999999999997 110.228 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.962 0 N-CA-C 110.528 -1.029 . . . . 41.219999999999999 110.528 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 36.2 t -128.72 126.14 39.42 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-O 121.404 0.621 . . . . 64.099999999999994 110.69 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.1 1.84 28.81 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.51 -1.292 . . . . 50.439999999999998 107.51 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 117.48 70.37 0.4 Allowed Glycine 0 N--CA 1.428 -1.881 0 N-CA-C 108.873 -1.691 . . . . 53.43 108.873 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 26.6 m -58.76 -40.34 83.6 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.082 0.953 . . . . 73.099999999999994 111.932 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -137.19 148.28 46.44 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.089 -0.505 . . . . 73.040000000000006 109.768 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -109.86 146.62 34.79 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.646 -0.502 . . . . 74.25 109.646 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' PHE . . . . . 0.411 ' CE2' HG22 ' A' ' 643' ' ' ILE . 9.6 m-30 -91.84 127.89 37.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.614 -0.721 . . . . 71.219999999999999 110.656 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 98.0 mt -104.6 131.68 51.73 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.759 -0.83 . . . . 72.439999999999998 108.759 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 41.7 m -105.86 121.59 44.37 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 115.528 -0.76 . . . . 75.099999999999994 109.473 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' PHE . . . . . 0.416 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 58.7 m-85 -120.91 129.54 53.52 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.589 -0.732 . . . . 73.329999999999998 109.989 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -112.12 117.89 33.87 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.89 -0.782 . . . . 71.439999999999998 108.89 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 78.7 t -113.29 117.47 45.36 Favored Pre-proline 0 C--N 1.284 -2.247 0 CA-C-N 115.58 -0.736 . . . . 70.439999999999998 109.74 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.79 148.33 41.05 Favored 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 121.501 1.467 . . . . 74.239999999999995 111.303 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.95 76.87 2.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.641 0.734 . . . . 72.319999999999993 110.395 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 596' ' ' SER . 53.5 t30 -102.82 -75.1 0.61 Allowed 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.93 -1.032 . . . . 74.140000000000001 111.132 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.36 20.0 2.56 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.519 0.728 . . . . 73.030000000000001 109.25 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 16.1 m -71.6 1.45 6.61 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 124.976 1.311 . . . . 71.319999999999993 114.216 -171.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.75 -28.99 33.36 Favored Glycine 0 N--CA 1.425 -2.088 0 C-N-CA 119.399 -1.381 . . . . 62.130000000000003 110.489 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.8 m -87.29 -47.04 9.15 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.895 0.855 . . . . 75.049999999999997 109.784 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -151.3 141.06 21.84 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 104.388 -2.449 . . . . 55.130000000000003 104.388 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLY . . . . . 0.425 ' HA3' ' HE3' ' A' ' 666' ' ' MET . . . -60.84 -57.54 18.29 Favored Glycine 0 C--N 1.288 -2.131 0 O-C-N 123.939 0.775 . . . . 64.310000000000002 112.307 -171.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.455 HD11 HD13 ' A' ' 676' ' ' ILE . 6.4 mp -109.43 -36.51 5.97 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 107.841 -1.17 . . . . 72.519999999999996 107.841 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 88.64 50.73 3.26 Favored Glycine 1 N--CA 1.38 -5.077 0 N-CA-C 108.991 -1.644 . . . . 73.109999999999999 108.991 -177.279 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.03 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.745 0 N-CA-C 106.696 -1.594 . . . . 64.299999999999997 106.696 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' SER . . . . . 0.412 ' O ' ' HD3' ' A' ' 622' ' ' LYS . 39.4 m -115.27 124.61 51.77 Favored 'General case' 0 N--CA 1.38 -3.974 0 N-CA-C 107.358 -1.349 . . . . 63.229999999999997 107.358 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 621' ' ' VAL . 5.1 m -121.99 165.15 18.11 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 CA-C-N 116.092 -0.504 . . . . 64.439999999999998 109.935 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.519 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 3.5 ptpt -149.5 151.29 33.68 Favored 'General case' 0 C--N 1.268 -2.973 0 CA-C-N 115.359 -0.837 . . . . 75.25 108.889 177.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -110.44 111.04 2.96 Favored Glycine 0 N--CA 1.399 -3.774 0 N-CA-C 109.558 -1.417 . . . . 54.399999999999999 109.558 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.15 135.39 35.58 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 119.747 -0.781 . . . . 54.439999999999998 109.415 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -113.23 146.21 39.7 Favored 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 108.407 -0.96 . . . . 74.530000000000001 108.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.6 m -61.9 110.33 1.52 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 107.122 -1.436 . . . . 62.240000000000002 107.122 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -58.12 -32.95 68.62 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 124.425 1.09 . . . . 73.430000000000007 112.679 -170.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -101.58 -45.12 5.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.78 0.324 . . . . 72.099999999999994 111.272 -178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -69.81 -25.47 63.78 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.859 0.361 . . . . 63.43 111.469 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 37.6 m80 70.68 12.17 7.26 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.093 0.957 . . . . 73.5 113.247 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -95.67 149.17 21.76 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.885 -1.524 . . . . 65.209999999999994 106.885 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.57 155.62 23.18 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 120.005 -0.678 . . . . 74.430000000000007 110.855 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.48 -15.75 18.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.982 -1.118 . . . . 73.25 107.982 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 118.87 -149.82 18.12 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 114.715 -1.129 . . . . 75.129999999999995 112.066 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . 0.4 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.6 mm -128.1 126.26 65.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.441 -1.688 . . . . 65.340000000000003 106.441 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' PHE . . . . . 0.557 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 60.9 m-85 -128.87 147.19 50.8 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.836 0.35 . . . . 72.439999999999998 111.157 -173.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . 0.421 ' HA ' HG11 ' A' ' 605' ' ' VAL . 81.9 t -70.2 130.81 34.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 108.396 -0.965 . . . . 75.030000000000001 108.396 171.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -110.63 -31.1 7.34 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 117.83 -1.548 . . . . 74.530000000000001 110.714 176.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 23.4 p -149.46 137.99 20.87 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 110.524 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.17 138.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 108.394 -0.965 . . . . 72.340000000000003 108.394 176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.48 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 82.5 mt -88.71 110.77 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 N-CA-C 106.423 -1.695 . . . . 75.040000000000006 106.423 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -81.03 108.93 15.12 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 121.576 0.703 . . . . 75.140000000000001 111.285 -174.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.58 -27.44 2.48 Favored Glycine 0 N--CA 1.422 -2.249 0 CA-C-N 114.372 -1.286 . . . . 64.319999999999993 110.174 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -72.09 169.3 51.24 Favored Glycine 0 C--O 1.244 0.741 0 C-N-CA 121.379 -0.439 . . . . 43.200000000000003 112.575 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.97 74.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 111.895 0.332 . . . . 74.230000000000004 111.895 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -72.52 -26.65 61.84 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-O 121.532 0.682 . . . . 72.150000000000006 109.815 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.3 t -74.69 -52.02 12.73 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.614 -1.175 . . . . 70.299999999999997 109.416 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.54 -51.46 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 112.351 0.5 . . . . 71.400000000000006 112.351 -177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.61 -51.54 9.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.453 0.538 . . . . 75.040000000000006 112.453 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.25 -43.24 7.57 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.349 -0.929 . . . . 72.109999999999999 115.0 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.83 49.48 7.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.847 -1.538 . . . . 74.219999999999999 106.847 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 6.4 mp -67.24 154.53 41.07 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 115.908 -0.587 . . . . 73.239999999999995 110.63 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' ARG . . . . . 0.414 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 18.2 ptt180 -96.51 164.34 12.66 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 115.322 -0.854 . . . . 71.230000000000004 111.384 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.36 149.84 5.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 114.831 -1.077 . . . . 75.310000000000002 108.156 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 74.5 11.09 4.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.456 1.102 . . . . 55.310000000000002 111.845 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' ASP . . . . . 0.715 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 6.4 t70 -82.36 143.1 31.48 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 118.778 -1.169 . . . . 74.299999999999997 109.151 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -89.82 119.21 30.0 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.894 0.878 . . . . 73.540000000000006 111.583 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 605' ' ' VAL . 6.7 mp -78.6 109.95 13.27 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.486 0.66 . . . . 73.400000000000006 110.843 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . 0.411 HG22 ' CE2' ' A' ' 586' ' ' PHE . 43.7 mm -89.41 -53.66 8.97 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 CA-C-N 115.288 -0.869 . . . . 75.349999999999994 110.997 -175.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.429 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.96 153.6 46.95 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.206 -0.907 . . . . 75.150000000000006 110.63 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' VAL . . . . . 0.42 HG23 ' OD1' ' A' ' 646' ' ' ASN . 13.1 p -138.31 131.52 40.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 116.091 -0.504 . . . . 74.439999999999998 110.022 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . 0.42 ' OD1' HG23 ' A' ' 645' ' ' VAL . 18.5 m120 60.7 23.44 13.3 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.445 1.098 . . . . 73.319999999999993 110.859 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.26 -19.31 53.2 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 115.512 -0.767 . . . . 75.540000000000006 113.107 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -86.17 132.71 33.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 117.293 0.546 . . . . 72.450000000000003 109.986 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.5 m -90.66 142.59 27.59 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 120.775 0.321 . . . . 72.349999999999994 110.973 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 650' ' ' LEU . 1.1 pt? -132.64 7.75 4.14 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 116.367 -0.379 . . . . 74.129999999999995 111.489 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 57.3 tp -68.4 99.13 0.91 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.117 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 148.29 -21.34 1.38 Allowed Glycine 0 C--N 1.307 -1.071 0 C-N-CA 120.584 -0.817 . . . . 61.140000000000001 112.306 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.17 159.85 15.46 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.343 -0.614 . . . . 61.329999999999998 109.343 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.5 168.25 2.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.013 0.525 . . . . 55.299999999999997 112.235 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.686 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.6 m120 -56.28 -49.63 73.69 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 123.428 0.455 . . . . 62.200000000000003 111.093 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -64.97 -48.58 73.49 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.952 -0.758 . . . . 73.019999999999996 108.952 -174.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.42 -47.78 72.4 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.959 -1.473 . . . . 74.230000000000004 110.067 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.67 97.93 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.475 -0.784 . . . . 75.400000000000006 111.063 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 76.9 mtp -63.93 -37.76 88.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.548 -0.296 . . . . 74.200000000000003 110.715 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -68.87 -41.9 77.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.301 -0.56 . . . . 75.109999999999999 110.763 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 90.1 m -58.71 -43.52 90.14 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.552 0.691 . . . . 73.209999999999994 109.519 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.57 -56.37 16.46 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.916 -1.038 . . . . 74.140000000000001 112.775 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 659' ' ' MET . 14.9 ptm180 -62.91 -30.89 71.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.197 0.443 . . . . 73.329999999999998 112.197 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -76.77 -45.29 29.57 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 112.217 0.451 . . . . 71.140000000000001 112.217 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 23.4 m -66.6 -39.79 88.57 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.137 -0.625 . . . . 74.450000000000003 109.995 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.547 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 4.0 ppp? -68.9 -23.01 64.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.915 -0.584 . . . . 72.430000000000007 111.315 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 38.8 t -92.05 -56.13 3.19 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 115.904 -0.589 . . . . 71.319999999999993 109.759 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 39.2 m -69.94 -51.31 33.84 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.666 -0.697 . . . . 75.329999999999998 112.013 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.85 -19.18 26.24 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 120.927 0.394 . . . . 72.409999999999997 111.016 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -64.87 -60.73 6.55 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 111.116 -0.794 . . . . 65.150000000000006 111.116 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -84.13 76.67 10.06 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.411 0.624 . . . . 62.530000000000001 110.745 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 -31.1 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.747 1.619 . . . . 65.120000000000005 109.012 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -81.42 -27.6 34.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.355 -0.839 . . . . 74.310000000000002 110.42 171.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 100.12 -37.96 3.33 Favored Glycine 0 CA--C 1.5 -0.881 0 N-CA-C 110.275 -1.13 . . . . 73.430000000000007 110.275 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.2 ptp -136.38 157.71 46.15 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.348 -0.982 . . . . 75.129999999999995 108.348 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' ILE . . . . . 0.455 HD13 HD11 ' A' ' 601' ' ' LEU . 8.3 tt -110.7 132.38 59.29 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 121.393 0.616 . . . . 65.010000000000005 110.13 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -102.01 124.72 48.11 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 115.423 -0.808 . . . . 72.439999999999998 110.567 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 678' ' ' LEU . 1.5 mm? -115.1 128.07 56.0 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.638 -0.875 . . . . 74.420000000000002 108.638 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -107.98 116.93 52.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 106.71 -1.589 . . . . 72.230000000000004 106.71 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' VAL . . . . . 0.715 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 27.6 m -121.99 173.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.324 0 N-CA-C 108.983 -0.747 . . . . 74.349999999999994 108.983 -177.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.72 127.59 23.7 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.556 0.693 . . . . 74.319999999999993 112.426 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.8 133.0 55.33 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.16 -0.681 . . . . 73.129999999999995 109.16 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 685' ' ' SER . 17.3 ptp180 -82.23 146.1 29.68 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 112.43 0.53 . . . . 73.439999999999998 112.43 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.66 -28.44 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 121.807 0.813 . . . . 72.400000000000006 111.137 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 683' ' ' ARG . 29.9 m -86.61 114.23 23.16 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 108.226 -1.027 . . . . 74.25 108.226 175.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.98 151.79 21.51 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.347 -0.541 . . . . 71.319999999999993 110.613 -175.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.73 92.59 3.35 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.681 -1.6 . . . . 74.239999999999995 106.681 170.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -74.19 139.91 44.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.742 -0.663 . . . . 75.109999999999999 112.391 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.301 -1.539 0 CA-C-N 115.047 -0.979 . . . . 73.010000000000005 109.351 -178.111 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.323 0.582 . . . . 74.329999999999998 109.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.1 97.91 6.33 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.748 -0.66 . . . . 71.519999999999996 110.408 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.4 95.68 3.82 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.31 0.576 . . . . 61.450000000000003 110.844 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.9 168.95 8.88 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.043 -1.095 . . . . 73.049999999999997 108.043 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 91.4 mt -105.94 159.32 16.13 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.208 -0.664 . . . . 63.100000000000001 109.208 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.73 95.14 5.45 Favored 'General case' 0 N--CA 1.414 -2.251 0 N-CA-C 104.366 -2.457 . . . . 74.150000000000006 104.366 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 114.35 58.46 0.38 Allowed Glycine 1 N--CA 1.384 -4.779 0 N-CA-C 109.136 -1.586 . . . . 52.210000000000001 109.136 -171.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 42.8 m -84.13 88.04 7.18 Favored 'General case' 0 N--CA 1.42 -1.96 0 CA-C-O 121.736 0.779 . . . . 74.239999999999995 110.656 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -101.26 122.88 46.76 Favored Pre-proline 0 C--N 1.297 -1.705 0 N-CA-C 107.256 -1.387 . . . . 64.420000000000002 107.256 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -61.24 -55.2 1.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.199 1.933 . . . . 61.109999999999999 113.376 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -135.98 89.35 2.48 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 115.603 -0.726 . . . . 72.019999999999996 112.292 -175.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 780' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.7 mt-10 -97.35 -8.76 28.86 Favored 'General case' 0 C--O 1.188 -2.167 0 N-CA-C 107.725 -1.213 . . . . 73.099999999999994 107.725 168.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 781' ' ' GLU . . . . . 0.519 ' OE2' ' HE2' ' A' ' 606' ' ' LYS . 4.1 mp0 -104.05 143.23 33.18 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.428 0.632 . . . . 62.140000000000001 112.126 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 782' ' ' LEU . . . . . 0.45 ' HB2' ' HE1' ' A' ' 659' ' ' MET . 3.3 tm? -142.54 137.13 29.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 106.738 -1.579 . . . . 70.349999999999994 106.738 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 783' ' ' ILE . . . . . 0.425 ' N ' HD13 ' B' ' 783' ' ' ILE . 2.3 mp -111.2 132.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.733 -0.84 . . . . 72.310000000000002 108.733 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 784' ' ' ILE . . . . . 0.547 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 16.1 pt . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 117.727 -1.13 . . . . 73.540000000000006 111.27 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 . . . . . 0 N--CA 1.439 -0.979 0 N-CA-C 109.113 -0.699 . . . . 65.25 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -102.33 122.77 44.91 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.928 -0.397 . . . . 63.34 109.928 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.51 HD12 HH22 ' A' ' 637' ' ' ARG . 92.0 mt -112.16 137.12 50.69 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 108.828 -0.804 . . . . 63.44 108.828 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.4 m -112.29 121.88 46.14 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 115.527 -0.76 . . . . 73.14 109.804 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 636' ' ' LEU . 39.3 m-85 -109.37 138.16 46.13 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.357 -0.608 . . . . 73.21 109.357 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.88 118.87 33.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.877 -0.786 . . . . 71.33 108.877 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.512 ' HB ' HG23 ' A' ' 676' ' ' ILE . 96.8 t -116.63 116.72 38.58 Favored Pre-proline 0 C--N 1.277 -2.58 0 CA-C-N 115.195 -0.911 . . . . 74.41 109.123 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.8 145.2 22.55 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.153 1.236 . . . . 51.12 110.364 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.34 69.44 6.79 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.155 0.979 . . . . 73.2 110.217 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.47 -68.13 0.9 Allowed 'General case' 0 CA--C 1.485 -1.557 0 CA-C-N 113.929 -1.487 . . . . 74.33 108.105 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.27 71.99 10.78 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 106.282 -1.747 . . . . 74.22 106.282 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 28.0 t -135.19 129.6 34.01 Favored 'General case' 1 N--CA 1.379 -4.012 0 CA-C-N 112.996 -1.911 . . . . 73.35 106.085 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 133.57 -30.91 2.93 Favored Glycine 1 C--N 1.239 -4.818 0 N-CA-C 107.338 -2.305 . . . . 71.44 107.338 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 13.2 m -63.27 -37.95 89.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.614 -1.624 . . . . 62.54 106.614 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -166.02 -177.2 4.09 Favored 'General case' 0 N--CA 1.404 -2.761 0 N-CA-C 102.194 -3.261 . . . . 54.44 102.194 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -72.84 -60.46 3.92 Favored Glycine 0 C--N 1.284 -2.329 0 N-CA-C 109.147 -1.581 . . . . 63.45 109.147 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.434 HD11 HD13 ' A' ' 676' ' ' ILE . 10.3 mp -118.83 -33.85 4.11 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 123.562 0.745 . . . . 44.3 109.525 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 96.31 41.27 3.74 Favored Glycine 0 N--CA 1.399 -3.785 0 CA-C-N 115.042 -0.981 . . . . 43.13 110.673 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.31 151.2 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 107.313 -1.366 . . . . 62.4 107.313 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.0 m -114.9 130.85 56.98 Favored 'General case' 0 N--CA 1.403 -2.784 0 N-CA-C 107.318 -1.364 . . . . 43.52 107.318 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 642' ' ' LEU . 4.2 m -124.93 159.23 31.85 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 116.082 -0.508 . . . . 43.05 110.894 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 24.2 pttm -149.82 153.1 36.23 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 109.135 -0.691 . . . . 62.54 109.135 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.63 145.38 16.84 Favored Glycine 0 C--N 1.293 -1.826 0 C-N-CA 119.532 -1.318 . . . . 61.12 111.301 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -123.18 154.72 38.33 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.816 -0.809 . . . . 51.42 108.816 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.8 mtt85 -122.21 142.79 50.07 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 109.955 -0.387 . . . . 72.42 109.955 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.422 -1.849 0 N-CA-C 106.688 -1.597 . . . . 64.21 106.688 172.903 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -1.821 0 N-CA-C 107.836 -1.172 . . . . 54.11 107.836 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.5 p-10 -69.9 149.24 48.04 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.415 0.626 . . . . 70.44 111.928 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -96.15 -8.38 33.36 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.125 -1.065 . . . . 64.3 108.125 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.78 -173.93 25.11 Favored Glycine 0 N--CA 1.429 -1.802 0 CA-C-N 114.605 -1.18 . . . . 73.5 112.029 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.95 131.8 40.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 109.519 -0.549 . . . . 62.33 109.519 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.09 151.8 48.14 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.346 -0.388 . . . . 75.35 110.231 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.489 ' HA ' HG12 ' A' ' 605' ' ' VAL . 48.2 t -71.41 138.41 21.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.253 -0.647 . . . . 72.11 109.253 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.484 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -114.49 -41.32 3.46 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.338 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 42.8 t -148.94 138.4 21.76 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.641 -0.503 . . . . 62.43 109.641 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.58 130.04 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 N-CA-C 108.32 -0.993 . . . . 63.44 108.32 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 80.5 mt -89.76 112.33 24.39 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 N-CA-C 107.336 -1.357 . . . . 54.24 107.336 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -81.32 78.68 8.07 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 122.285 1.04 . . . . 73.23 109.741 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 165.14 48.4 0.02 OUTLIER Glycine 0 N--CA 1.415 -2.704 0 N-CA-C 108.509 -1.837 . . . . 71.24 108.509 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 632' ' ' LYS . . . -159.92 147.99 15.87 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.274 -1.53 . . . . 70.44 109.274 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.73 61.37 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 114.299 1.222 . . . . 74.1 114.299 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -64.61 -30.77 71.79 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 121.301 0.572 . . . . 55.55 111.243 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.2 t -76.77 -48.22 19.33 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.228 -0.896 . . . . 72.33 108.827 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 628' ' ' GLY . 53.5 mtpt -64.21 -52.46 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.511 -0.768 . . . . 72.12 111.044 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -80.77 -52.35 7.62 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 112.463 0.542 . . . . 63.11 112.463 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -74.12 -42.41 36.36 Favored Glycine 0 CA--C 1.507 -0.433 0 CA-C-N 115.64 -0.709 . . . . 70.21 114.678 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 63.25 32.48 14.85 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.908 0.354 . . . . 65.11 111.641 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 636' ' ' LEU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 589' ' ' PHE 0.309 0.7 OUTLIER -68.86 171.2 8.29 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.227 1.195 . . . . 73.0 114.227 178.506 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.684 ' NH2' ' HB2' ' A' ' 682' ' ' ARG . 8.8 ptt-85 -114.12 172.17 7.16 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 113.348 0.87 . . . . 72.1 113.348 -169.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 79.1 t -83.67 141.5 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.488 -1.233 . . . . 74.32 109.878 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 67.4 t30 67.91 24.85 7.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.888 1.675 . . . . 74.4 111.508 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.836 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 12.4 t70 -80.33 154.11 27.98 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.443 -1.688 . . . . 54.15 106.443 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.07 115.72 31.15 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.264 -0.643 . . . . 72.33 109.264 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.6 mp -74.74 120.04 19.74 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.401 0.62 . . . . 43.31 112.513 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 44.9 mm -95.47 -56.13 5.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 115.297 -0.865 . . . . 70.33 111.331 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.34 155.09 43.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.871 -0.604 . . . . 74.34 111.826 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 678' ' ' LEU . 15.0 p -135.17 128.03 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 115.705 -0.68 . . . . 74.51 109.311 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 84.1 m-20 51.63 30.79 6.97 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.649 0.981 . . . . 63.43 113.649 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 90.63 -15.39 60.48 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.812 -0.709 . . . . 60.23 113.37 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.7 127.11 36.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.32 -0.992 . . . . 62.02 108.32 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 50.8 m -93.7 140.55 29.51 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 112.782 0.66 . . . . 72.32 112.782 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.531 HD12 ' HB1' ' A' ' 658' ' ' ALA . 0.9 OUTLIER -112.71 -3.71 14.2 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 116.011 -0.541 . . . . 72.11 111.246 175.01 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.05 93.91 0.22 Allowed 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.863 -0.792 . . . . 70.33 108.863 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 142.27 -25.91 2.32 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 115.723 -0.671 . . . . 64.4 112.113 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -98.65 152.68 19.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.232 -0.284 . . . . 71.14 110.232 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.52 167.22 9.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.211 0.449 . . . . 44.31 112.211 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.32 -47.28 81.95 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.283 0.845 . . . . 75.45 113.283 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -68.45 -30.63 69.54 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 121.035 -0.266 . . . . 74.23 110.639 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.33 -47.32 64.76 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.252 -1.018 . . . . 70.32 108.252 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.531 ' HB1' HD12 ' A' ' 650' ' ' LEU . . . -56.21 -43.72 78.83 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.578 -1.646 . . . . 74.24 111.066 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.524 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 63.0 mtt -60.71 -42.32 97.0 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.386 0.429 . . . . 73.33 111.769 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -61.51 -45.67 93.2 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.931 -0.308 . . . . 75.32 110.821 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.4 m -59.02 -43.5 91.6 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.143 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 666' ' ' MET . 97.7 mt -63.33 -56.51 15.83 Favored 'General case' 0 C--O 1.204 -1.325 0 CA-C-N 116.411 -0.359 . . . . 71.2 110.73 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 659' ' ' MET . 75.3 mtp180 -55.13 -39.93 69.96 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.457 0.646 . . . . 71.13 110.989 -175.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -74.66 -51.37 14.58 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.427 -0.806 . . . . 72.12 111.448 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 -31.9 51.79 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 113.255 0.835 . . . . 44.13 113.255 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 4.3 ppp? -68.29 -33.97 75.31 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.305 -0.558 . . . . 64.43 110.684 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.6 t -92.54 -56.59 2.97 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.961 -0.563 . . . . 72.33 110.375 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 71.9 m -65.84 -41.78 91.32 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.225 0.454 . . . . 73.31 112.225 -172.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 43.9 mt-10 -93.3 -18.63 22.22 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.618 -0.833 . . . . 62.14 110.849 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.6 -55.16 18.86 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.438 -0.665 . . . . 73.33 111.438 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -73.71 -13.0 60.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.468 0.651 . . . . 72.12 110.672 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -75.43 -54.62 6.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.354 -0.839 . . . . 74.24 109.383 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 673' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 38.8 mmt180 -70.0 -37.29 75.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 73.34 109.671 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.3 42.55 Favored Glycine 0 CA--C 1.501 -0.82 0 N-CA-C 110.012 -1.235 . . . . 60.02 110.012 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.0 ptm -145.66 144.92 30.7 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.667 -1.235 . . . . 72.23 107.667 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.512 HG23 ' HB ' ' A' ' 591' ' ' VAL . 9.4 tt -110.45 136.7 45.64 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-O 121.676 0.751 . . . . 64.14 110.293 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.05 129.54 51.7 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.884 -1.053 . . . . 72.4 109.996 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.2 mm? -124.7 125.25 43.78 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.082 -0.71 . . . . 73.23 109.082 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.65 117.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.614 -1.254 . . . . 74.01 107.614 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.836 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.3 m -122.94 152.82 27.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 115.925 -0.58 . . . . 52.2 109.707 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -113.63 134.31 54.8 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.872 0.844 . . . . 31.03 112.869 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.684 ' HB2' ' NH2' ' A' ' 637' ' ' ARG . 8.1 tpt180 . . . . . 0 C--N 1.293 -1.88 0 CA-C-N 114.25 -1.341 . . . . 62.32 108.463 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 122.343 1.068 . . . . 73.13 111.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.484 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.6 mt-10 -106.49 150.24 26.29 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 113.6 -1.637 . . . . 72.41 109.298 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.67 131.14 26.99 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 105.924 -1.88 . . . . 64.2 105.924 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 783' ' ' ILE . . . . . 0.402 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -108.26 126.41 64.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 120.326 -0.549 . . . . 74.23 109.895 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 29.0 pt . . . . . 0 N--CA 1.408 -2.544 0 CA-C-O 118.232 -0.889 . . . . 73.23 109.055 177.813 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 45.9 mt-10 . . . . . 0 CA--C 1.485 -1.532 0 N-CA-C 109.465 -0.569 . . . . 75.42 109.465 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-N 115.537 -0.756 . . . . 70.31 109.04 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 84.9 mt -123.37 146.24 48.12 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 108.286 -1.005 . . . . 71.12 108.286 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 26.6 m -111.15 121.89 46.46 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.515 -0.766 . . . . 71.12 110.323 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.74 137.76 47.99 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 115.72 -0.673 . . . . 73.3 109.717 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.442 ' HG2' ' OE1' ' A' ' 677' ' ' GLN . 35.5 mt-10 -109.92 128.02 55.11 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.476 -0.564 . . . . 62.33 109.476 -177.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.465 ' HB ' HG23 ' A' ' 676' ' ' ILE . 59.0 t -128.9 116.76 19.2 Favored Pre-proline 0 C--N 1.294 -1.806 0 N-CA-C 108.386 -0.968 . . . . 63.02 108.386 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.1 Cg_endo -83.62 148.79 12.67 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.533 1.489 . . . . 65.31 111.724 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.41 73.32 3.99 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.826 0.822 . . . . 75.45 111.133 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -119.88 -74.88 0.59 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.488 -1.233 . . . . 72.44 108.796 175.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.64 -3.52 59.05 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.834 1.302 . . . . 73.3 107.637 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.585 ' HB2' ' HB3' ' A' ' 629' ' ' ALA . 44.6 t -102.37 124.1 47.34 Favored 'General case' 0 N--CA 1.405 -2.702 0 N-CA-C 103.251 -2.87 . . . . 74.02 103.251 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.18 10.83 Favored Glycine 1 C--N 1.243 -4.605 0 N-CA-C 107.445 -2.262 . . . . 73.33 107.445 -172.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 41.0 m -69.63 -25.06 63.75 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.403 -0.899 . . . . 62.14 108.646 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -135.44 -67.28 0.54 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.319 -1.734 . . . . 65.31 106.319 168.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -157.0 -71.96 0.01 OUTLIER Glycine 0 C--N 1.277 -2.732 0 N-CA-C 106.253 -2.739 . . . . 72.4 106.253 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 676' ' ' ILE . 11.0 mp -125.44 -41.74 2.01 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 124.526 1.13 . . . . 62.53 108.39 170.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 104.42 48.7 1.1 Allowed Glycine 1 N--CA 1.391 -4.364 0 N-CA-C 108.867 -1.693 . . . . 75.24 108.867 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.3 t -136.94 153.49 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 N-CA-C 107.032 -1.47 . . . . 72.24 107.032 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 29.2 m -115.68 135.05 54.43 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 107.913 -1.143 . . . . 41.35 107.913 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.484 HG11 HD21 ' A' ' 642' ' ' LEU . 9.4 m -124.89 164.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.103 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.641 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.68 152.63 35.66 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.784 -0.644 . . . . 64.1 110.666 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -106.77 134.42 12.16 Favored Glycine 0 C--N 1.293 -1.837 0 C-N-CA 120.195 -1.002 . . . . 42.44 112.025 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.14 144.64 42.31 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.044 -0.724 . . . . 64.43 109.044 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.597 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 30.2 ttt180 -134.42 128.79 34.25 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 116.55 -0.295 . . . . 75.11 110.688 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.297 -1.717 0 N-CA-C 108.99 -0.744 . . . . 70.31 108.99 176.298 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 108.316 -0.994 . . . . 72.33 108.316 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.4 p30 -88.06 154.43 20.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.424 -0.91 . . . . 72.32 112.186 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.12 -5.91 46.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.344 -0.844 . . . . 65.04 110.871 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.19 -154.31 18.11 Favored Glycine 0 C--N 1.304 -1.229 0 C-N-CA 120.451 -0.88 . . . . 70.11 112.838 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.7 126.85 72.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.26 -0.645 . . . . 75.12 109.26 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -119.1 149.11 42.25 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 122.791 0.436 . . . . 73.43 110.165 -177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.466 ' HA ' HG12 ' A' ' 605' ' ' VAL . 64.0 t -70.39 139.79 19.53 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 N-CA-C 109.568 -0.531 . . . . 74.43 109.568 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.21 -42.73 3.14 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 122.042 -0.411 . . . . 63.03 111.178 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 37.6 t -149.12 138.56 21.66 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.608 -0.516 . . . . 62.01 109.608 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -97.91 128.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.439 -0.948 . . . . 71.44 108.439 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.03 113.48 25.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 109.511 -0.552 . . . . 43.41 109.511 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -70.07 123.8 22.5 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.605 -0.725 . . . . 55.52 109.3 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 126.56 -22.56 5.83 Favored Glycine 0 C--N 1.3 -1.466 0 N-CA-C 110.647 -0.981 . . . . 72.4 110.647 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -88.41 164.0 33.02 Favored Glycine 0 N--CA 1.436 -1.318 0 N-CA-C 110.192 -1.163 . . . . 75.45 110.192 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 596' ' ' SER . . . -68.16 -29.01 67.79 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 117.771 0.785 . . . . 64.12 110.819 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -66.07 -24.25 66.68 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 116.044 -0.526 . . . . 73.14 110.977 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -72.77 -52.33 15.46 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.527 -1.269 . . . . 70.54 109.839 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER -75.88 -49.94 16.45 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.003 1.483 . . . . 53.34 115.003 -179.629 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.91 -39.62 29.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.749 0.648 . . . . 63.33 112.749 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -66.98 -43.81 90.31 Favored Glycine 0 C--O 1.207 -1.582 0 C-N-CA 120.542 -0.837 . . . . 74.32 113.356 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 57.43 27.21 13.58 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 117.543 0.671 . . . . 74.13 111.478 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.09 161.57 3.02 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 113.9 1.074 . . . . 73.22 113.9 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.507 ' O ' ' HB ' ' A' ' 638' ' ' VAL . 19.0 ttm-85 -99.75 -42.65 6.75 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 117.025 2.232 . . . . 62.04 117.025 -166.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 638' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 54.8 t 94.43 129.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 126.583 1.953 . . . . 64.54 109.483 -169.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 71.82 13.17 6.15 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.191 1.797 . . . . 61.12 109.875 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.04 144.15 26.35 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.523 -0.762 . . . . 55.34 110.328 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -87.59 127.47 35.27 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.138 -0.937 . . . . 54.5 112.684 -170.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.484 HD21 HG11 ' A' ' 605' ' ' VAL . 6.8 mp -81.61 118.42 22.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.325 0.583 . . . . 72.14 110.403 178.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.9 mm -100.36 -57.37 4.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.404 -0.816 . . . . 75.15 111.406 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.45 148.97 48.0 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.371 -0.377 . . . . 60.24 110.402 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 678' ' ' LEU . 9.2 p -135.87 131.7 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 CA-C-O 120.875 0.369 . . . . 65.33 110.289 -176.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.48 14.3 7.88 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.263 1.025 . . . . 62.3 111.857 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.45 -1.21 64.05 Favored Glycine 0 N--CA 1.437 -1.281 0 C-N-CA 120.894 -0.669 . . . . 73.32 111.581 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -103.43 134.7 46.36 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.108 -0.701 . . . . 64.11 109.108 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 60.2 m -90.92 141.63 28.63 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.978 -0.555 . . . . 75.03 111.262 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.2 pt? -133.98 7.61 3.73 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 111.974 0.361 . . . . 64.15 111.974 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.63 101.32 2.02 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.337 -1.357 . . . . 71.03 107.337 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.37 -25.97 0.6 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.395 -0.82 . . . . 61.15 111.433 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.7 OUTLIER -94.53 171.06 9.03 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.231 -0.285 . . . . 71.02 110.231 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.35 171.82 14.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.496 0.554 . . . . 74.41 112.496 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.412 HD21 ' HB2' ' A' ' 616' ' ' ASP . 15.0 m120 -50.01 -47.8 52.84 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 123.891 0.876 . . . . 72.24 110.497 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.09 -45.28 89.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.271 . . . . 74.2 111.163 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.1 -39.32 75.58 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.287 -0.87 . . . . 71.43 110.004 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -58.75 -46.21 87.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.008 -0.996 . . . . 71.13 111.431 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.09 -35.19 80.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.486 -0.485 . . . . 71.03 112.173 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.96 -44.22 96.64 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.439 -0.578 . . . . 62.44 109.439 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 77.1 m -63.94 -48.38 76.77 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.69 -0.686 . . . . 65.4 110.149 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 658' ' ' ALA . 96.0 mt -56.03 -55.98 26.32 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.678 -0.237 . . . . 63.51 111.595 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -61.82 -33.61 74.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.095 0.474 . . . . 74.45 111.486 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.36 -45.86 30.09 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.054 -0.521 . . . . 75.31 111.473 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.0 m -70.48 -35.47 73.28 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 120.596 -0.441 . . . . 72.02 110.459 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.622 ' HE3' HD13 ' A' ' 601' ' ' LEU . 23.9 ptm -70.8 -28.43 64.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.913 0.387 . . . . 72.3 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 48.3 t -87.87 -54.38 4.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.085 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 88.1 m -71.42 -54.78 9.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.033 -0.531 . . . . 72.2 111.922 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 29.7 mm-40 -81.53 -29.31 33.59 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.52 -0.309 . . . . 55.34 110.886 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.35 -59.31 11.03 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 116.378 -0.374 . . . . 71.3 112.609 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -66.52 -23.06 66.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.384 0.611 . . . . 75.01 110.225 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' A' ' 672' ' ' LYS . 0.4 OUTLIER -72.56 -49.08 34.96 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.249 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 673' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 29.2 mmt180 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.748 0.308 . . . . 63.01 110.734 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.99 -10.74 67.13 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.284 -1.126 . . . . 43.23 110.284 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.508 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.1 ptm -148.66 151.23 34.59 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.446 0.698 . . . . 43.03 109.257 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.737 HD13 HD11 ' A' ' 601' ' ' LEU . 13.8 tt -111.85 134.05 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.086 0 N-CA-C 107.972 -1.122 . . . . 63.43 107.972 177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 677' ' ' GLN . . . . . 0.442 ' OE1' ' HG2' ' A' ' 590' ' ' GLU . 5.4 tp-100 -106.19 130.41 54.07 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.239 -1.393 . . . . 54.04 107.239 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.3 mm? -124.44 125.44 44.28 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.817 -0.753 . . . . 72.41 111.05 -177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -107.44 121.88 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.128 -1.434 . . . . 75.1 107.128 172.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.37 161.15 25.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 N-CA-C 109.56 -0.533 . . . . 74.01 109.56 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 681' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -110.4 124.54 51.92 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.716 -1.216 . . . . 61.42 107.716 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.583 0 CA-C-N 115.594 -0.73 . . . . 75.24 111.033 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 N--CA 1.418 -2.063 0 N-CA-C 113.187 0.81 . . . . 62.12 113.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.641 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 40.6 mt-10 -116.22 131.43 56.95 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 113.426 -1.716 . . . . 61.31 107.862 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.1 tp -129.61 129.08 43.91 Favored 'General case' 0 N--CA 1.404 -2.772 0 CA-C-N 115.811 -0.631 . . . . 72.24 110.273 -177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.63 122.5 47.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 109.308 -0.627 . . . . 73.11 109.308 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.481 HG22 ' SD ' ' A' ' 666' ' ' MET . 26.4 pt . . . . . 0 N--CA 1.401 -2.889 0 N-CA-C 108.136 -1.061 . . . . 45.41 108.136 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 16.9 pt-20 . . . . . 0 N--CA 1.44 -0.971 0 CA-C-O 120.727 0.298 . . . . 74.35 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' PHE . . . . . 0.512 ' CE2' HG21 ' A' ' 643' ' ' ILE . 4.1 m-30 -91.8 128.49 37.65 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.459 -0.792 . . . . 73.43 109.58 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.427 HD12 HH22 ' A' ' 637' ' ' ARG . 96.0 mt -126.73 131.44 51.34 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.313 -0.995 . . . . 74.34 108.313 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 29.9 m -101.41 124.14 46.61 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.276 -0.874 . . . . 65.24 110.844 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -118.86 130.18 55.61 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.953 -0.567 . . . . 72.05 109.489 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.94 135.34 48.67 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 120.977 0.417 . . . . 65.3 110.149 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 676' ' ' ILE . 61.0 t -125.14 117.82 25.47 Favored Pre-proline 0 C--N 1.291 -1.949 0 N-CA-C 108.549 -0.908 . . . . 72.04 108.549 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 70.6 Cg_endo -79.27 147.04 20.21 Favored 'Trans proline' 0 N--CA 1.427 -2.42 0 N-CA-C 108.895 -1.233 . . . . 53.32 108.895 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.42 80.16 4.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 122.064 0.935 . . . . 75.11 109.691 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 596' ' ' SER . 13.3 m120 -122.83 119.54 30.85 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 114.258 -1.337 . . . . 74.35 111.063 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 t70 71.59 -11.38 0.73 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.52 1.528 . . . . 53.14 111.457 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 594' ' ' ASN . 20.3 m -82.06 102.41 10.99 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 115.025 -0.989 . . . . 50.45 108.87 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -131.54 -39.85 0.24 Allowed Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 109.367 -1.493 . . . . 55.44 109.367 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.1 m -72.99 -21.62 60.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.713 0.768 . . . . 73.54 109.381 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.88 43.36 Favored 'General case' 0 N--CA 1.395 -3.212 0 N-CA-C 105.493 -2.04 . . . . 74.42 105.493 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -76.91 -52.57 5.73 Favored Glycine 0 C--N 1.27 -3.13 0 N-CA-C 110.01 -1.236 . . . . 52.12 110.01 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 676' ' ' ILE . 12.4 mt -113.81 -35.3 5.19 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.265 -1.013 . . . . 72.41 108.265 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.554 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.49 51.94 2.61 Favored Glycine 0 N--CA 1.401 -3.648 0 CA-C-N 114.378 -1.283 . . . . 34.34 110.505 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.5 t -140.2 152.0 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 N-CA-C 106.275 -1.75 . . . . 71.52 106.275 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 40.1 m -111.87 131.93 55.04 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.959 -1.497 . . . . 73.43 106.959 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 621' ' ' VAL . 4.2 m -124.76 164.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.688 0 CA-C-O 121.336 0.589 . . . . 71.12 112.027 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.415 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 22.5 pttp -149.1 152.34 35.99 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.828 -1.078 . . . . 65.55 109.747 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.37 122.19 5.74 Favored Glycine 0 C--N 1.276 -2.79 0 C-N-CA 120.546 -0.835 . . . . 62.23 111.26 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -94.41 138.84 31.87 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-O 121.474 0.654 . . . . 54.15 111.099 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 56.0 ttp180 -130.45 125.27 33.99 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 107.586 -1.264 . . . . 73.33 107.586 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.304 -1.387 0 O-C-N 123.835 0.709 . . . . 65.31 109.235 -179.195 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 108.712 -0.847 . . . . 61.42 108.712 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.6 p-10 -86.14 141.22 29.54 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 119.816 -0.754 . . . . 63.22 109.945 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.37 -12.45 40.35 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.296 -0.865 . . . . 74.4 109.52 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 108.81 -167.28 12.98 Favored Glycine 0 C--N 1.311 -0.823 0 CA-C-N 115.238 -0.892 . . . . 63.12 112.94 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -99.27 131.19 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.373 0.669 . . . . 64.32 109.94 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 87.2 m-85 -130.56 144.96 51.76 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.806 0.336 . . . . 64.42 110.567 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.506 ' HA ' HG12 ' A' ' 605' ' ' VAL . 84.7 t -65.82 131.83 31.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 CA-C-N 116.048 -0.524 . . . . 75.14 110.376 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -105.7 -38.06 6.53 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 120.942 0.401 . . . . 63.22 110.834 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.9 t -149.01 135.79 19.69 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 109.617 -0.512 . . . . 52.45 109.617 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.03 125.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.143 -1.058 . . . . 74.15 108.143 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -92.42 113.76 28.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.35 0.595 . . . . 64.33 109.758 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.15 114.14 15.64 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.009 -1.108 . . . . 62.41 108.009 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.17 -22.28 2.76 Favored Glycine 0 N--CA 1.427 -1.944 0 N-CA-C 110.355 -1.098 . . . . 75.13 110.355 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -89.47 156.1 25.54 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.723 -0.751 . . . . 71.33 111.866 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.41 74.09 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 111.723 0.268 . . . . 75.33 111.723 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -63.13 -27.24 69.24 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-O 121.304 0.573 . . . . 65.24 110.588 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.4 t -74.37 -54.82 6.86 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.049 -0.978 . . . . 74.55 109.766 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.367 0.0 OUTLIER -75.82 -35.2 60.1 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.582 1.697 . . . . 64.31 115.582 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 -47.14 19.28 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 112.403 0.52 . . . . 54.25 112.403 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.51 -43.06 5.63 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.06 -1.067 . . . . 74.0 114.976 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 61.75 82.96 0.16 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.758 -0.46 . . . . 73.4 109.758 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.34 177.93 4.73 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.102 -0.374 . . . . 75.34 111.539 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.0 OUTLIER -112.79 170.44 8.19 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.133 -0.692 . . . . 72.44 109.133 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.4 t -85.68 142.19 13.51 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 107.439 -1.319 . . . . 74.54 107.439 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 68.71 18.85 8.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.017 1.327 . . . . 73.14 109.578 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 37.0 t0 -70.68 137.63 49.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.635 -1.246 . . . . 75.03 107.635 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -86.49 113.05 22.1 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 123.819 0.847 . . . . 62.43 111.316 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.444 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.6 mp -80.37 121.79 26.14 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 120.969 0.414 . . . . 44.33 109.972 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.512 HG21 ' CE2' ' A' ' 586' ' ' PHE . 49.4 mm -101.4 -60.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.699 -0.682 . . . . 75.22 111.62 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -138.62 157.59 45.86 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.991 -0.55 . . . . 65.35 110.628 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.512 HG23 HD13 ' A' ' 678' ' ' LEU . 14.9 p -138.49 131.69 40.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 O-C-N 123.344 0.402 . . . . 75.01 109.92 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.456 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 86.5 m-20 52.45 29.57 7.17 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.52 0.933 . . . . 74.15 113.52 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.39 -8.7 78.05 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.9 -0.667 . . . . 51.15 113.098 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.45 130.37 34.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 106.63 -1.619 . . . . 74.44 106.63 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.6 t -89.12 111.52 22.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.605 0.716 . . . . 72.33 111.12 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.429 ' HA ' ' HZ3' ' A' ' 653' ' ' LYS . 6.5 mp -92.87 -18.98 22.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 115.877 -0.602 . . . . 61.31 109.85 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.432 ' HB2' HG23 ' A' ' 643' ' ' ILE . 2.5 tm? -71.94 94.79 1.49 Allowed 'General case' 0 N--CA 1.428 -1.561 0 N-CA-C 108.208 -1.034 . . . . 71.55 108.208 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.98 -41.07 0.61 Allowed Glycine 0 C--N 1.287 -2.157 0 N-CA-C 108.902 -1.679 . . . . 71.13 108.902 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' LYS . . . . . 0.429 ' HZ3' ' HA ' ' A' ' 650' ' ' LEU . 16.1 pttm -88.26 166.53 14.26 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.576 -0.812 . . . . 73.25 109.716 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.14 160.65 29.54 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 123.328 0.392 . . . . 63.23 111.402 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.659 ' O ' ' HG3' ' A' ' 659' ' ' MET . 32.9 p30 -49.35 -46.48 47.09 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.166 0.802 . . . . 71.35 113.166 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.39 -46.87 79.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.418 0.628 . . . . 75.2 110.758 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.74 -42.31 95.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.315 -0.857 . . . . 72.01 108.857 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.61 77.18 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.75 -1.113 . . . . 61.34 110.971 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.659 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.2 mtp -61.58 -42.04 98.28 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.056 0.142 . . . . 70.21 110.797 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.02 -41.04 87.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.871 0.367 . . . . 65.23 110.611 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.4 m -66.02 -39.45 90.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.874 -0.417 . . . . 74.33 109.874 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.2 -52.54 65.25 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 124.125 0.97 . . . . 71.34 111.165 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 659' ' ' MET . 71.2 mtp180 -56.04 -49.08 74.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.714 0.634 . . . . 65.44 110.616 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -66.67 -43.22 85.11 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 115.683 -0.69 . . . . 73.34 111.771 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 42.4 m -70.38 -31.33 68.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 122.018 -0.426 . . . . 55.34 111.495 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.45 ' SD ' HG22 ' B' ' 784' ' ' ILE . 22.2 ptm -77.8 -35.47 51.41 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.216 -0.994 . . . . 74.13 110.358 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 34.4 t -76.54 -48.56 18.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 74.13 110.219 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 89.0 m -75.43 -50.62 15.25 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.24 -0.436 . . . . 74.25 112.127 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -86.82 -56.32 3.45 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.282 -0.967 . . . . 55.24 112.446 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -51.97 -59.13 9.12 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 114.086 0.394 . . . . 50.14 114.086 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -70.18 -4.9 23.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.495 0.924 . . . . 60.23 113.495 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -114.07 -28.16 7.43 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.34 -0.544 . . . . 75.23 111.781 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -76.24 -27.03 56.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.73 -0.841 . . . . 75.33 108.73 173.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 99.53 -20.73 48.42 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.734 -0.946 . . . . 75.32 110.734 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.434 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.7 ptp -146.45 153.66 40.7 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.161 0.505 . . . . 74.35 109.651 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.6 HG21 HD21 ' A' ' 601' ' ' LEU . 8.6 tt -122.21 144.49 31.34 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.707 0 CA-C-N 114.87 -1.059 . . . . 74.13 110.081 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -109.66 129.96 55.55 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.81 -0.441 . . . . 75.4 109.81 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 645' ' ' VAL . 1.5 mm? -122.99 128.59 50.41 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.876 -0.416 . . . . 54.43 109.876 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -108.4 118.23 55.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.21 -1.404 . . . . 75.11 107.21 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.423 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 24.0 m -123.15 158.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 123.283 0.365 . . . . 73.1 110.138 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 681' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -124.92 125.62 44.22 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.098 0.475 . . . . 61.44 110.717 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 . . . . . 0 C--N 1.301 -1.527 0 N-CA-C 108.794 -0.817 . . . . 64.14 108.794 178.539 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 780' ' ' GLU . . . . . 0.581 ' HB3' ' SD ' ' A' ' 659' ' ' MET . 7.9 mm-40 . . . . . 0 CA--C 1.49 -1.344 0 N-CA-C 113.362 0.875 . . . . 72.14 113.362 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 24.0 mt-10 -130.16 134.52 47.37 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 113.891 -1.504 . . . . 64.35 110.142 -178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 58.4 tp -136.9 131.61 33.35 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 116.074 -0.512 . . . . 71.41 109.973 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -98.02 121.73 48.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 107.644 -1.243 . . . . 72.15 107.644 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.501 HD12 HD12 ' A' ' 601' ' ' LEU . 11.0 pt . . . . . 0 N--CA 1.411 -2.392 0 CA-C-O 117.84 -1.076 . . . . 71.11 110.455 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.244 0.797 0 N-CA-C 109.267 -0.642 . . . . 73.24 109.267 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 586' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 643' ' ' ILE . 3.2 m-30 -102.66 122.34 44.24 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.314 0.383 . . . . 74.21 110.697 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 146.32 32.1 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.191 -0.67 . . . . 62.54 109.191 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 24.6 m -110.68 121.28 44.94 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.508 -0.923 . . . . 64.41 108.508 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.53 127.63 53.81 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.374 -0.375 . . . . 62.44 110.045 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.34 119.31 38.42 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.417 -0.957 . . . . 63.52 108.417 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.417 ' HB ' HG23 ' A' ' 676' ' ' ILE . 87.6 t -116.97 117.19 37.39 Favored Pre-proline 0 C--N 1.283 -2.292 0 CA-C-N 115.257 -0.883 . . . . 74.52 109.697 -171.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.3 Cg_endo -78.09 148.46 24.56 Favored 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.494 1.463 . . . . 64.03 110.465 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.57 73.23 3.28 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 122.577 1.179 . . . . 61.31 110.132 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -107.99 -67.33 0.97 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 113.634 -1.621 . . . . 74.34 107.919 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' ASP . . . . . 0.511 ' HB2' ' N ' ' A' ' 629' ' ' ALA . 5.3 m-20 -86.08 73.39 10.27 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 122.526 1.155 . . . . 73.45 108.309 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 41.0 t -143.24 135.13 26.75 Favored 'General case' 0 N--CA 1.384 -3.761 0 CA-C-N 112.7 -2.045 . . . . 73.33 106.869 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 164.55 -45.93 0.3 Allowed Glycine 1 C--N 1.25 -4.235 0 N-CA-C 109.551 -1.42 . . . . 60.04 109.551 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 29.1 t -81.34 -32.05 33.17 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 107.954 -1.128 . . . . 71.24 107.954 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -148.49 -175.32 4.88 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 106.26 -1.756 . . . . 72.31 106.26 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -91.77 -60.31 1.28 Allowed Glycine 0 C--N 1.267 -3.26 0 N-CA-C 109.872 -1.291 . . . . 73.23 109.872 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 676' ' ' ILE . 6.9 mp -108.39 -28.05 9.61 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.19 -0.67 . . . . 60.5 109.19 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 82.52 49.9 4.97 Favored Glycine 1 N--CA 1.391 -4.331 0 N-CA-C 109.288 -1.525 . . . . 30.33 109.288 -178.618 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.11 151.56 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.108 0 N-CA-C 106.939 -1.504 . . . . 75.43 106.939 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 45.3 m -114.63 132.57 56.32 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 107.225 -1.398 . . . . 45.11 107.225 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.0 m -124.2 162.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.117 0 CA-C-N 115.585 -0.734 . . . . 64.23 111.209 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.521 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -150.23 153.51 36.34 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.081 -0.963 . . . . 60.31 109.078 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.47 152.47 17.21 Favored Glycine 0 C--N 1.267 -3.252 0 C-N-CA 119.605 -1.283 . . . . 70.2 111.216 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -123.36 130.36 52.61 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.986 -1.487 . . . . 74.41 106.986 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 48.8 ttp180 -127.73 138.72 52.87 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.734 -0.469 . . . . 64.12 109.734 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.307 -1.272 0 CA-C-N 115.549 -0.75 . . . . 53.23 111.972 -178.161 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.543 0 N-CA-C 109.581 -0.525 . . . . 64.11 109.581 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.0 m-20 -84.28 143.37 29.59 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.4 -1.333 . . . . 62.21 107.4 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.61 -15.79 38.69 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.808 -1.182 . . . . 74.31 107.808 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 114.21 -169.0 12.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.648 -1.16 . . . . 71.24 112.226 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.449 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 48.5 mm -103.59 126.37 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.215 -1.032 . . . . 73.5 108.215 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -119.99 148.44 43.55 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 122.805 0.442 . . . . 70.41 110.053 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 605' ' ' VAL . 73.9 t -68.67 130.91 33.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 109.708 -0.478 . . . . 63.43 109.708 173.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -105.87 -38.01 6.49 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 116.101 -0.499 . . . . 75.33 111.206 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.7 m -150.04 140.48 22.39 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.181 -0.463 . . . . 65.51 109.957 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.0 mp -104.11 129.26 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 108.725 -0.843 . . . . 73.45 108.725 177.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.496 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.3 mt -89.96 119.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 CA-C-N 115.9 -0.591 . . . . 63.11 109.653 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -79.07 90.6 4.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.133 -1.062 . . . . 73.12 108.133 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 160.94 33.3 0.02 OUTLIER Glycine 0 C--N 1.291 -1.955 0 N-CA-C 109.592 -1.403 . . . . 64.31 109.592 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 601' ' ' LEU . . . -148.9 150.6 22.77 Favored Glycine 0 N--CA 1.425 -2.092 0 N-CA-C 110.263 -1.135 . . . . 53.5 110.263 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' ALA . . . . . 0.511 ' N ' ' HB2' ' A' ' 595' ' ' ASP . . . -65.27 -29.93 70.75 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.199 0.444 . . . . 71.12 112.199 -176.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.89 64.54 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 121.242 0.544 . . . . 32.12 110.235 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 32.8 t -74.6 -52.42 11.82 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.379 -0.828 . . . . 74.22 109.667 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.19 -50.02 21.04 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.263 0.838 . . . . 62.22 113.263 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -80.28 -42.82 22.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.303 0.483 . . . . 71.14 112.303 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -87.58 -43.68 5.73 Favored Glycine 0 C--O 1.223 -0.532 0 C-N-CA 120.43 -0.89 . . . . 73.25 114.77 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 635' ' ' ARG . 2.4 mmp_? 61.93 81.58 0.19 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.545 0.673 . . . . 74.23 112.056 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.83 171.65 8.17 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.755 -0.461 . . . . 75.11 109.755 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 0.4 OUTLIER -117.69 169.78 9.3 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.072 -0.651 . . . . 75.31 109.609 -175.01 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.99 144.14 10.68 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 107.054 -1.461 . . . . 75.14 107.054 171.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 59.2 t30 71.57 18.92 5.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.563 1.173 . . . . 75.42 109.044 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.443 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 52.1 t0 -84.59 129.48 34.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.205 -1.406 . . . . 70.21 107.205 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -89.4 122.69 32.86 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.198 0.444 . . . . 72.02 112.198 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.434 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.5 mp -81.94 114.19 20.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.688 -0.687 . . . . 72.11 110.229 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.478 HG21 ' CE2' ' A' ' 586' ' ' PHE . 45.1 mm -94.15 -55.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.497 -0.774 . . . . 74.23 111.088 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -140.58 146.0 37.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.305 -0.861 . . . . 33.24 110.515 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.71 130.67 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 CA-C-O 121.144 0.497 . . . . 54.14 110.083 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.402 ' ND2' HG13 ' A' ' 676' ' ' ILE . 18.6 m120 57.16 23.68 8.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.823 1.249 . . . . 53.34 111.903 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 92.2 6.19 65.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.897 -0.668 . . . . 60.12 113.355 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -117.95 126.85 53.12 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 122.134 -0.627 . . . . 72.24 109.614 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.8 m -78.35 146.35 34.72 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 120.769 0.319 . . . . 71.03 111.358 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.82 17.58 2.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.627 0.727 . . . . 75.31 109.871 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.5 -14.5 62.55 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.132 -0.94 . . . . 71.04 111.034 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -115.27 45.08 1.36 Allowed Glycine 0 N--CA 1.435 -1.386 0 C-N-CA 120.771 -0.728 . . . . 53.22 112.869 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.82 176.24 10.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 117.025 0.412 . . . . 75.14 110.787 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.87 165.58 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.174 0.589 . . . . 73.51 112.165 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -48.35 76.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.272 0.358 . . . . 75.14 111.198 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.44 -52.31 65.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 121.43 0.634 . . . . 63.33 111.315 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.02 -43.88 78.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 113.959 -1.473 . . . . 54.21 110.209 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -61.6 -43.82 98.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.658 -0.701 . . . . 64.12 110.981 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.81 -41.07 96.07 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 120.65 0.262 . . . . 71.2 111.019 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -61.02 -44.53 97.28 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 108.788 -0.819 . . . . 65.24 108.788 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 94.0 m -61.33 -46.56 89.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.948 0.499 . . . . 53.44 110.918 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -57.43 -56.79 17.25 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 122.246 0.218 . . . . 65.24 111.323 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.57 -37.72 87.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 72.55 110.191 -176.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.62 -46.41 89.94 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 115.433 -0.803 . . . . 71.4 110.191 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.8 m -69.42 -33.6 73.21 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 116.489 -0.323 . . . . 60.41 110.866 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.1 mtp -69.89 -41.38 74.82 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.188 0.518 . . . . 74.44 109.971 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 21.8 t -77.67 -50.49 12.37 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.488 -0.778 . . . . 72.31 110.715 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.8 m -74.23 -49.97 21.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 112.227 0.455 . . . . 74.41 112.227 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -94.15 -44.4 8.02 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 112.931 0.715 . . . . 61.03 112.931 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.22 -56.72 22.8 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-O 120.129 -0.261 . . . . 51.34 113.391 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.88 -8.27 53.39 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.097 0.475 . . . . 71.31 111.679 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -90.87 -54.72 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.121 -0.49 . . . . 75.12 110.255 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -73.0 -28.85 62.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.903 -0.589 . . . . 64.45 111.077 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 95.44 -13.47 66.59 Favored Glycine 0 C--O 1.242 0.598 0 N-CA-C 110.499 -1.04 . . . . 73.21 110.499 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.409 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 20.6 ptp -147.31 145.09 29.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 123.629 0.772 . . . . 71.42 109.87 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 601' ' ' LEU . 11.5 tt -112.44 135.03 53.1 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-N 115.044 -0.98 . . . . 63.2 110.566 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.87 132.6 50.91 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.025 -0.534 . . . . 72.23 110.488 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 601' ' ' LEU . 0.9 OUTLIER -127.26 127.84 45.04 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.393 -0.595 . . . . 74.11 109.393 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -106.01 115.9 48.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.872 -1.529 . . . . 70.53 106.872 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.443 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.4 m -123.72 152.77 29.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.971 0 CA-C-N 116.109 -0.496 . . . . 73.02 109.874 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.06 127.96 54.3 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.393 -0.367 . . . . 72.44 111.222 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.467 ' NH2' HH21 ' A' ' 637' ' ' ARG . 4.1 ptp180 . . . . . 0 C--N 1.312 -1.05 0 N-CA-C 107.534 -1.284 . . . . 43.35 107.534 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.653 0.264 . . . . 61.21 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 42.4 mt-10 -115.92 152.38 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.715 0.806 . . . . 71.3 110.088 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.74 135.02 20.57 Favored 'General case' 0 N--CA 1.421 -1.923 0 N-CA-C 107.538 -1.282 . . . . 74.11 107.538 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 783' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -104.87 129.51 57.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.625 -0.88 . . . . 73.24 108.625 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.545 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 24.6 pt . . . . . 0 N--CA 1.423 -1.795 0 CA-C-O 117.715 -1.136 . . . . 72.3 111.265 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.424 -1.725 0 N-CA-C 109.113 -0.699 . . . . 44.12 109.113 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.83 122.4 35.18 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 109.205 -0.665 . . . . 75.33 109.205 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 93.6 mt -112.28 131.27 55.6 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-O 120.992 0.425 . . . . 65.21 110.492 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 53.6 m -107.06 122.18 45.95 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-N 115.041 -0.981 . . . . 73.41 109.04 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -121.77 121.14 36.58 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.43 -0.35 . . . . 63.44 110.662 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.47 112.01 24.56 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.064 0.935 . . . . 74.04 108.609 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.03 118.96 51.43 Favored Pre-proline 0 C--N 1.278 -2.519 0 CA-C-N 113.712 -1.586 . . . . 64.02 109.925 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.74 148.2 41.08 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.567 1.512 . . . . 74.41 110.74 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.3 73.46 3.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.861 0.838 . . . . 74.44 108.991 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.73 -51.94 3.32 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.687 -1.142 . . . . 65.43 110.75 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.78 17.33 9.19 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 121.607 0.718 . . . . 74.4 109.434 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.695 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.1 t -73.6 116.72 14.52 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 114.888 -1.051 . . . . 75.15 110.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 177.67 -60.29 0.09 OUTLIER Glycine 1 C--N 1.254 -4.003 0 CA-C-N 113.139 -1.846 . . . . 52.44 109.697 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.4 p -77.61 -30.59 52.44 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.97 0.891 . . . . 25.04 109.415 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.695 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -152.6 170.13 20.96 Favored 'General case' 0 N--CA 1.402 -2.843 0 N-CA-C 104.064 -2.569 . . . . 64.45 104.064 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -88.95 -51.86 2.91 Favored Glycine 0 C--N 1.271 -3.08 0 N-CA-C 110.55 -1.02 . . . . 62.34 110.55 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 676' ' ' ILE . 6.2 mp -106.59 -36.3 6.79 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.612 -0.884 . . . . 73.41 108.612 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.612 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.17 49.12 3.37 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 109.924 -1.27 . . . . 65.33 109.924 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.414 HG21 HD12 ' A' ' 636' ' ' LEU . 11.7 t -134.81 152.32 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 N-CA-C 106.899 -1.519 . . . . 61.22 106.899 175.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 44.9 m -113.09 134.15 54.67 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.219 -1.03 . . . . 71.42 108.219 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.4 m -124.63 163.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 CA-C-N 116.026 -0.534 . . . . 71.34 111.51 177.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 152.55 34.45 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 115.154 -0.93 . . . . 60.12 109.324 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.38 137.72 13.86 Favored Glycine 0 C--N 1.28 -2.556 0 C-N-CA 119.456 -1.354 . . . . 60.24 111.836 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -113.53 145.46 41.18 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 109.099 -0.704 . . . . 74.32 109.099 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.581 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 24.7 ttt85 -133.17 133.84 43.34 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.57 -0.53 . . . . 74.42 109.57 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.423 -1.794 0 O-C-N 123.787 0.68 . . . . 75.24 109.423 -179.422 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.867 0 CA-C-O 120.857 0.36 . . . . 73.25 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 9.0 m-20 69.48 152.93 0.1 Allowed 'General case' 0 N--CA 1.435 -1.205 0 C-N-CA 125.343 1.457 . . . . 61.31 109.802 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 96.3 mt -99.56 -10.58 21.89 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 107.529 -1.286 . . . . 74.45 107.529 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 97.69 -164.52 21.93 Favored Glycine 0 CA--C 1.523 0.534 0 CA-C-N 114.648 -1.16 . . . . 43.51 112.375 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.467 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 45.8 mm -105.26 129.07 58.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.746 -0.835 . . . . 74.11 108.746 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.5 m-85 -123.73 149.85 45.06 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 122.344 0.258 . . . . 71.23 110.783 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.5 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.6 t -67.49 136.26 26.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.404 0.621 . . . . 73.24 110.487 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -106.37 -45.53 4.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.204 -0.453 . . . . 74.2 111.228 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 33.4 t -148.52 142.33 25.68 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 109.67 -0.493 . . . . 63.35 109.67 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.64 131.58 40.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.316 -0.994 . . . . 63.22 108.316 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.612 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 72.0 mt -93.55 123.47 45.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 110.04 -0.356 . . . . 75.22 110.04 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.15 132.16 45.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.671 -0.863 . . . . 62.11 108.671 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 91.82 42.88 4.63 Favored Glycine 0 C--N 1.297 -1.597 0 C-N-CA 120.247 -0.977 . . . . 75.24 110.97 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -139.87 140.27 10.58 Favored Glycine 0 N--CA 1.431 -1.662 0 N-CA-C 110.18 -1.168 . . . . 71.33 110.18 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.06 -30.26 71.34 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.374 0.509 . . . . 72.52 112.374 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.87 69.29 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.551 0.691 . . . . 73.42 109.694 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 19.2 m -73.59 -47.09 43.07 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 114.228 -1.351 . . . . 64.33 109.783 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -75.92 -52.54 10.07 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 114.186 1.18 . . . . 72.52 114.186 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -79.0 -52.76 7.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.226 0.824 . . . . 74.41 113.226 -170.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.74 -42.44 5.72 Favored Glycine 0 CA--C 1.495 -1.164 0 C-N-CA 120.103 -1.046 . . . . 54.44 111.968 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 71.57 95.43 0.07 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 122.429 1.109 . . . . 72.03 111.453 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 636' ' ' LEU . . . . . 0.414 HD12 HG21 ' A' ' 603' ' ' VAL . 90.4 mt -88.43 179.66 6.27 Favored 'General case' 0 C--N 1.268 -2.974 0 CA-C-N 113.634 -1.621 . . . . 74.51 109.315 175.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.607 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 0.2 OUTLIER -136.55 176.19 8.93 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.598 -0.889 . . . . 70.52 108.598 -175.223 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.79 132.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.938 0 C-N-CA 120.466 -0.494 . . . . 72.22 109.794 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.04 23.95 2.61 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.224 1.409 . . . . 61.33 111.77 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.607 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 2.9 p30 -78.58 151.14 32.57 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 118.095 -1.442 . . . . 60.12 109.436 171.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -92.39 115.11 27.8 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 116.022 -0.536 . . . . 71.22 112.215 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.458 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -76.57 109.52 10.38 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.673 0.749 . . . . 63.11 109.894 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.6 mm -87.19 -53.57 9.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.982 -1.008 . . . . 73.22 110.039 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -134.56 142.87 47.1 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.332 -0.849 . . . . 70.35 110.014 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 662' ' ' LEU . 10.0 p -126.99 119.57 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.276 0 CA-C-O 121.986 0.898 . . . . 73.14 111.299 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.465 ' HB2' HG13 ' A' ' 676' ' ' ILE . 56.6 t30 51.35 47.74 24.28 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.002 -1.454 . . . . 74.22 110.007 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 105.35 -51.8 0.75 Allowed Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.102 -1.047 . . . . 63.42 114.836 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.507 ' OE2' HG21 ' A' ' 661' ' ' THR . 36.7 tt0 -85.34 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.573 0.687 . . . . 72.52 112.008 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 45.6 m -84.5 120.27 26.12 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.652 -0.499 . . . . 52.52 109.652 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.01 -22.6 42.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 109.835 -0.431 . . . . 72.2 109.835 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.15 93.03 0.57 Allowed 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.603 -1.258 . . . . 64.15 107.603 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 161.75 -36.39 0.38 Allowed Glycine 0 C--N 1.301 -1.386 0 N-CA-C 110.375 -1.09 . . . . 55.34 110.375 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.29 156.04 18.24 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 110.301 -0.259 . . . . 73.11 110.301 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.28 168.6 5.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.912 0.485 . . . . 52.34 111.442 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 659' ' ' MET . 12.7 m120 -52.93 -49.95 64.99 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 112.075 0.398 . . . . 63.53 112.075 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 656' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 19.2 mm-40 -63.88 -42.46 97.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.819 0.342 . . . . 74.45 110.686 -175.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.11 -45.88 91.51 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.568 -0.742 . . . . 74.2 109.611 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.03 99.8 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.21 -0.905 . . . . 70.13 111.496 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.638 ' HE2' ' HB2' ' B' ' 782' ' ' LEU . 84.7 mtp -70.54 -37.08 74.02 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.524 -0.307 . . . . 71.43 110.95 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 16.1 mm-40 -65.59 -41.38 92.88 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 120.854 0.359 . . . . 75.04 110.692 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' THR . . . . . 0.507 HG21 ' OE2' ' A' ' 648' ' ' GLU . 54.7 m -65.6 -43.46 89.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.792 -0.64 . . . . 72.31 109.53 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.599 ' O ' ' HG3' ' A' ' 666' ' ' MET . 56.7 tp -53.74 -55.5 25.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.922 -1.035 . . . . 73.24 111.037 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 659' ' ' MET . 43.6 mtm105 -54.84 -44.82 74.28 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.607 0.567 . . . . 70.1 110.861 -177.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -68.97 -51.29 41.01 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.841 -0.618 . . . . 74.43 111.58 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 36.7 m -77.53 -28.8 52.06 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 113.576 0.954 . . . . 71.24 113.576 -170.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 3.1 ppp? -76.2 -24.39 54.68 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.066 -1.054 . . . . 75.15 110.174 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.2 t -92.32 -56.86 2.89 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.598 -0.728 . . . . 72.54 109.777 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 52.6 m -71.21 -60.33 2.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.166 -0.47 . . . . 44.24 111.635 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -71.83 -27.75 63.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 120.95 0.405 . . . . 73.31 110.923 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -61.24 -54.28 37.66 Favored Glycine 0 CA--C 1.507 -0.443 0 N-CA-C 111.31 -0.716 . . . . 43.34 111.31 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.46 -19.51 64.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.169 0.509 . . . . 73.45 111.078 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.09 -53.17 10.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.144 -0.48 . . . . 62.15 110.558 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -69.16 -32.19 71.37 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.026 -0.534 . . . . 71.05 110.93 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 105.39 -36.88 4.11 Favored Glycine 0 C--N 1.309 -0.935 0 N-CA-C 110.1 -1.2 . . . . 65.22 110.1 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -136.58 154.17 50.76 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.849 -0.797 . . . . 72.21 108.849 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.495 HD13 HD11 ' A' ' 601' ' ' LEU . 8.7 tt -111.05 135.09 51.26 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 115.282 -0.872 . . . . 70.03 110.629 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -104.44 115.78 30.97 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.557 -0.747 . . . . 72.14 111.793 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.1 mm? -110.96 128.9 55.99 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 109.479 -0.563 . . . . 74.14 109.479 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.0 118.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.974 -1.491 . . . . 73.44 106.974 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.36 153.04 26.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 N-CA-C 109.194 -0.669 . . . . 75.34 109.194 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -110.66 124.8 52.62 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 109.06 -0.719 . . . . 71.31 109.06 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 . . . . . 0 C--N 1.285 -2.206 0 N-CA-C 108.264 -1.013 . . . . 65.12 108.264 178.098 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.435 -1.199 0 CA-C-O 120.936 0.398 . . . . 73.51 110.351 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -107.78 145.5 33.47 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.224 -0.898 . . . . 74.53 110.524 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.638 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.1 tm? -146.65 132.05 18.6 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 107.898 -1.149 . . . . 61.23 107.898 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 783' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 783' ' ' ILE . 1.9 mp -105.04 132.06 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 109.048 -0.723 . . . . 64.44 109.048 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.454 HD12 HD22 ' A' ' 601' ' ' LEU . 18.9 pt . . . . . 0 N--CA 1.411 -2.391 0 CA-C-O 117.488 -1.244 . . . . 64.43 111.15 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 15.2 pt-20 . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 108.745 -0.835 . . . . 73.54 108.745 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -106.27 127.71 53.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 120.717 0.294 . . . . 74.5 110.648 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.57 143.78 37.13 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.379 -0.971 . . . . 64.53 108.379 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 50.2 m -111.22 122.85 48.93 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 116.101 -0.499 . . . . 74.35 109.839 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.46 119.69 35.3 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.243 -0.651 . . . . 62.12 109.243 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -108.5 116.03 31.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.268 -0.642 . . . . 74.33 109.268 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 676' ' ' ILE . 66.2 t -105.67 116.86 59.27 Favored Pre-proline 0 C--N 1.28 -2.448 0 CA-C-N 115.2 -0.909 . . . . 65.33 109.154 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.65 148.69 47.65 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.61 1.54 . . . . 72.1 109.895 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 71.44 3.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.027 0.918 . . . . 62.13 111.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 629' ' ' ALA . 2.3 m-20 -123.77 129.39 50.99 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.207 -1.361 . . . . 50.22 108.253 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 63.29 22.39 13.29 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.866 0.841 . . . . 71.33 109.88 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.8 m -102.24 114.01 27.79 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-N 114.488 -1.233 . . . . 40.35 108.371 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 175.45 -46.57 0.13 Allowed Glycine 0 C--N 1.278 -2.654 0 N-CA-C 108.943 -1.663 . . . . 74.43 108.943 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.4 m -74.33 -29.68 61.71 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.861 0.839 . . . . 72.15 109.481 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -143.75 148.64 35.93 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 104.209 -2.515 . . . . 73.43 104.209 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -71.16 -56.78 6.67 Favored Glycine 0 C--N 1.282 -2.46 0 N-CA-C 110.528 -1.029 . . . . 65.0 110.528 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 676' ' ' ILE . 15.3 mt -115.87 -33.06 5.24 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.547 -1.279 . . . . 65.4 107.547 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.61 49.22 3.47 Favored Glycine 0 N--CA 1.4 -3.755 0 N-CA-C 109.25 -1.54 . . . . 70.43 109.25 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.0 t -139.23 153.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 106.381 -1.711 . . . . 60.3 106.381 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.0 m -113.42 135.42 53.89 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.067 -1.086 . . . . 75.34 108.067 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.407 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.0 m -124.53 162.3 26.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 121.108 0.48 . . . . 65.23 111.553 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.561 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 64.5 pttt -148.99 154.24 39.08 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 115.204 -0.907 . . . . 74.53 108.821 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.72 128.88 9.62 Favored Glycine 0 N--CA 1.411 -2.994 0 C-N-CA 119.343 -1.408 . . . . 73.24 111.585 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 620' ' ' PHE . 4.4 m-20 -99.72 121.65 41.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.775 -1.194 . . . . 61.13 107.775 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.54 ' HD3' ' OD2' ' A' ' 616' ' ' ASP . 35.6 ttp180 -129.45 148.83 51.4 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 109.745 -0.465 . . . . 74.14 109.745 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-N 115.574 -0.739 . . . . 63.32 110.728 178.275 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.297 0 CA-C-O 120.802 0.334 . . . . 74.42 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.54 ' OD2' ' HD3' ' A' ' 609' ' ' ARG . 2.0 m-20 -81.12 138.46 35.91 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 105.554 -2.017 . . . . 64.34 105.554 175.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.5 mt -87.98 -14.76 38.29 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.239 -1.023 . . . . 71.4 108.239 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 119.8 -171.24 14.37 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.697 -1.138 . . . . 75.25 112.572 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.19 128.16 55.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.418 -0.956 . . . . 72.43 108.418 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 80.6 m-85 -122.51 142.17 50.88 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 123.292 0.37 . . . . 65.51 110.448 -177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.4 132.94 29.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-O 121.375 0.607 . . . . 71.51 110.742 174.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.49 -40.28 5.62 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 116.332 -0.394 . . . . 72.22 111.238 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 143.48 25.73 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.218 -0.66 . . . . 72.21 109.218 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.17 133.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.596 -0.89 . . . . 72.34 108.596 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -97.55 111.95 28.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.968 -0.753 . . . . 71.24 108.968 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -75.0 113.8 12.74 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.547 -0.751 . . . . 75.03 109.458 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.93 -26.18 2.51 Favored Glycine 0 N--CA 1.429 -1.801 0 N-CA-C 109.987 -1.245 . . . . 53.02 109.987 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 158.49 34.97 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.974 -0.632 . . . . 55.14 111.623 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 594' ' ' ASN . . . -63.4 -32.19 73.55 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 111.867 0.321 . . . . 33.24 111.867 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.38 -30.0 69.68 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 121.027 0.442 . . . . 53.21 110.053 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.571 ' O ' ' HB2' ' A' ' 635' ' ' ARG . 42.3 t -78.86 -48.96 13.7 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.101 -0.954 . . . . 62.21 110.196 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.657 ' O ' ' HE2' ' A' ' 632' ' ' LYS . 0.0 OUTLIER -65.33 -52.38 54.29 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.856 -0.611 . . . . 74.23 110.354 -176.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -79.44 -53.96 6.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.196 1.184 . . . . 72.35 114.196 -170.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -101.75 -44.13 2.0 Allowed Glycine 0 C--O 1.229 -0.197 0 C-N-CA 119.273 -1.442 . . . . 31.22 114.252 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 631' ' ' SER . 32.6 ttm180 55.84 96.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.98 1.312 . . . . 62.42 112.814 -175.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 636' ' ' LEU . . . . . 0.567 ' HB3' ' OD2' ' A' ' 640' ' ' ASP . 6.0 mp -77.58 -167.72 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.237 -1.347 . . . . 72.03 110.456 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.602 ' NE ' ' HB3' ' A' ' 640' ' ' ASP . 5.0 ppt_? -131.0 148.29 52.73 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.449 0.642 . . . . 74.4 112.167 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.7 t -61.66 131.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.635 -0.711 . . . . 72.11 109.262 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 83.37 11.74 0.45 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.394 1.477 . . . . 65.41 112.59 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.602 ' HB3' ' NE ' ' A' ' 637' ' ' ARG 0.29 2.9 p30 -74.29 142.41 45.23 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 117.098 -1.841 . . . . 62.12 111.713 174.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.77 113.9 24.82 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.658 -0.701 . . . . 74.51 112.227 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.407 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -73.83 109.59 7.46 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.589 0.709 . . . . 60.13 110.396 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 651' ' ' LEU . 47.4 mm -89.89 -55.42 6.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.133 -0.939 . . . . 63.53 110.76 -175.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -139.4 145.44 38.93 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.995 -1.002 . . . . 73.14 110.655 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 678' ' ' LEU . 14.0 p -126.2 127.87 71.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 72.04 108.366 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.5 m-20 51.67 34.4 12.73 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.756 0.789 . . . . 75.41 112.371 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.55 58.61 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.907 -1.042 . . . . 73.54 113.673 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.21 125.42 35.47 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 117.751 0.775 . . . . 74.2 109.281 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.3 t -84.66 136.46 33.74 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.068 0.461 . . . . 53.0 110.244 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.6 pt? -130.82 17.42 5.18 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.943 0.877 . . . . 62.42 109.139 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 643' ' ' ILE . 4.3 tt -55.47 -31.18 61.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.792 -1.549 . . . . 71.04 111.291 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -110.14 14.72 30.97 Favored Glycine 0 N--CA 1.434 -1.447 0 C-N-CA 120.24 -0.981 . . . . 43.4 114.335 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -109.95 163.7 13.31 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.798 -1.161 . . . . 63.32 110.599 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.74 152.96 37.82 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.42 0.45 . . . . 51.54 111.309 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 13.6 m120 -55.0 -42.39 72.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.537 0.569 . . . . 70.41 112.537 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -63.29 -44.58 94.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.06 0.457 . . . . 70.41 110.123 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.25 -38.33 90.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.331 -0.85 . . . . 72.41 109.615 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -63.1 -44.01 96.87 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.645 -1.161 . . . . 33.13 111.102 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 mmt -58.4 -45.77 87.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.903 0.383 . . . . 64.15 110.52 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.43 -41.36 98.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.599 -0.728 . . . . 75.2 110.014 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.9 m -61.34 -48.9 79.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.474 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -56.81 -56.11 25.68 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 116.361 -0.381 . . . . 74.03 110.863 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.423 0.452 . . . . 74.34 111.174 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.55 -50.53 62.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.838 -0.619 . . . . 71.11 110.209 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -32.94 74.8 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 116.77 -0.195 . . . . 71.04 111.442 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -67.86 -41.69 82.5 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.07 0.462 . . . . 73.44 110.441 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 27.5 t -80.8 -48.53 12.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.569 -0.741 . . . . 75.21 110.891 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 64.6 m -76.52 -53.68 7.75 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.202 0.525 . . . . 73.31 112.144 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.56 -40.07 11.55 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.133 -0.485 . . . . 51.43 112.126 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.98 -58.71 13.15 Favored Glycine 0 C--O 1.249 1.069 0 CA-C-N 116.022 -0.535 . . . . 61.24 112.193 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -81.05 69.43 7.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.74 0.781 . . . . 73.42 109.989 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -174.67 -53.51 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 113.885 -1.507 . . . . 71.22 107.669 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -67.98 -21.85 65.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.328 -0.851 . . . . 73.12 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.73 -30.32 9.08 Favored Glycine 0 CA--C 1.5 -0.868 0 N-CA-C 110.774 -0.931 . . . . 64.53 110.774 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.8 ptp -143.93 155.42 44.05 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.257 -1.016 . . . . 61.22 108.257 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.562 HG21 HD21 ' A' ' 601' ' ' LEU . 7.3 tt -110.28 133.44 55.66 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 CA-C-N 115.7 -0.682 . . . . 74.41 109.342 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -101.91 126.0 48.72 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 115.362 -0.836 . . . . 65.41 110.237 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.2 mm? -119.38 123.79 45.0 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.629 -0.878 . . . . 63.41 108.629 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.25 117.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 106.911 -1.515 . . . . 73.13 106.911 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.28 152.91 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 110.027 -0.36 . . . . 72.21 110.027 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 681' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -113.26 146.67 38.97 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.283 0.564 . . . . 64.34 112.042 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.445 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 19.8 ptt180 . . . . . 0 C--N 1.305 -1.367 0 CA-C-N 115.216 -0.902 . . . . 70.23 108.609 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 780' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.429 -1.508 0 CA-C-O 121.506 0.67 . . . . 74.31 110.559 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.4 mt-10 -117.39 132.33 56.6 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 114.422 -1.263 . . . . 72.12 110.226 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.29 131.36 38.32 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 115.455 -0.793 . . . . 73.42 110.426 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.63 125.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.12 -1.067 . . . . 64.04 108.12 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.52 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 14.1 pt . . . . . 0 N--CA 1.413 -2.32 0 CA-C-O 117.98 -1.01 . . . . 72.34 108.486 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.424 -1.737 0 CA-C-O 121.103 0.477 . . . . 53.14 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.29 122.5 36.9 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.233 -0.894 . . . . 75.43 110.788 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 8.0 mp -109.77 144.0 38.81 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 116.032 -0.531 . . . . 73.1 109.571 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.9 m -111.01 121.31 45.04 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 121.432 0.634 . . . . 62.15 109.552 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' PHE . . . . . 0.455 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 50.0 m-85 -117.2 119.88 36.56 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 108.558 -0.905 . . . . 51.12 108.558 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.41 121.84 46.26 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.345 0.593 . . . . 74.3 110.273 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.426 ' HB ' HG23 ' A' ' 676' ' ' ILE . 85.5 t -114.58 117.84 42.07 Favored Pre-proline 0 C--N 1.285 -2.204 0 CA-C-N 114.782 -1.099 . . . . 75.34 109.894 -172.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.73 148.56 25.74 Favored 'Trans proline' 0 N--CA 1.442 -1.534 0 C-N-CA 121.57 1.513 . . . . 53.13 111.354 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.23 84.1 1.37 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.199 -1.037 . . . . 74.42 108.199 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -105.54 -75.91 0.62 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.544 -1.207 . . . . 71.42 111.166 -177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.09 31.51 3.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.111 -1.44 . . . . 62.33 107.111 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 42.9 m -71.02 9.69 0.67 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.496 -1.229 . . . . 65.31 113.947 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.41 39.48 Favored Glycine 0 N--CA 1.426 -1.976 0 N-CA-C 111.384 -0.686 . . . . 61.32 111.384 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 56.3 p -82.62 -37.37 25.07 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.199 0.999 . . . . 63.45 109.757 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.637 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -165.54 152.29 10.1 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 103.863 -2.643 . . . . 52.04 103.863 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.18 -54.61 31.53 Favored Glycine 0 C--N 1.294 -1.799 0 N-CA-C 111.391 -0.683 . . . . 34.43 111.391 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.619 HD11 HD13 ' A' ' 676' ' ' ILE . 7.3 mp -115.01 -33.52 5.38 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 108.752 -0.833 . . . . 73.33 108.752 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 88.0 46.4 4.79 Favored Glycine 1 N--CA 1.395 -4.09 0 N-CA-C 109.269 -1.533 . . . . 43.23 109.269 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.41 151.71 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.973 0 N-CA-C 106.531 -1.655 . . . . 73.45 106.531 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 22.9 m -114.79 133.83 55.61 Favored 'General case' 0 N--CA 1.397 -3.091 0 N-CA-C 107.174 -1.417 . . . . 71.21 107.174 171.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.5 m -124.88 159.86 30.88 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.669 0 CA-C-N 115.887 -0.597 . . . . 75.44 111.247 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.496 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 21.4 pttp -148.61 152.79 37.37 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.597 -0.728 . . . . 74.31 109.53 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.0 128.45 8.41 Favored Glycine 0 C--N 1.284 -2.325 0 C-N-CA 119.248 -1.454 . . . . 44.23 113.369 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.04 139.4 39.78 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.632 -0.877 . . . . 75.44 108.632 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.486 ' HB3' ' OD1' ' A' ' 655' ' ' ASN . 18.2 ptt-85 -135.41 162.25 33.15 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 109.614 -0.513 . . . . 73.34 109.614 175.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--N 1.27 -2.887 0 N-CA-C 108.834 -0.802 . . . . 72.05 108.834 172.519 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.071 0 N-CA-C 106.147 -1.797 . . . . 75.2 106.147 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.19 149.55 23.81 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 108.243 -1.021 . . . . 72.22 108.243 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.06 -1.15 37.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.483 -0.932 . . . . 74.21 108.483 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 95.34 -172.99 30.92 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.249 -1.341 . . . . 63.45 113.11 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.49 135.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.391 -0.966 . . . . 75.24 108.391 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -126.22 145.51 50.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.9 -0.408 . . . . 72.24 109.9 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 605' ' ' VAL . 58.9 t -67.81 133.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 109.763 -0.458 . . . . 74.23 109.763 173.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -42.58 4.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.05 0.452 . . . . 61.55 111.422 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 17.7 p -149.71 139.95 22.21 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.069 -0.514 . . . . 42.3 111.486 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.1 130.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.985 -0.746 . . . . 62.41 108.985 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.96 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 107.861 -1.163 . . . . 72.31 107.861 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -65.72 118.75 10.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.517 -0.765 . . . . 74.12 111.37 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.46 -15.1 22.55 Favored Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.175 -1.012 . . . . 70.4 112.213 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -69.31 165.39 49.53 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 111.227 -0.749 . . . . 61.33 111.227 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.62 89.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 122.557 -0.378 . . . . 73.02 111.334 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.89 -25.94 63.01 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.332 0.587 . . . . 74.23 109.819 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 45.8 t -71.53 -49.08 44.34 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 115.002 -0.999 . . . . 24.14 109.616 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -75.0 -52.88 10.0 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.247 0.462 . . . . 75.0 112.247 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.35 -52.38 7.75 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.552 0.575 . . . . 74.12 112.552 -176.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.74 41.71 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 120.56 -0.829 . . . . 63.14 113.383 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 58.13 36.67 26.07 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.142 0.496 . . . . 72.05 111.844 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 636' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 5.0 mp -64.09 175.74 1.17 Allowed 'General case' 0 C--O 1.256 1.446 0 CA-C-O 121.926 0.869 . . . . 64.22 111.994 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.546 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 15.9 ptt180 -115.97 169.31 9.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.013 -0.994 . . . . 71.12 109.615 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.43 146.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 106.527 -1.657 . . . . 72.44 106.527 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 84.09 -0.86 1.02 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 113.848 1.055 . . . . 71.24 113.848 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.546 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 12.7 m-20 -63.3 128.21 34.82 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 118.747 -1.181 . . . . 62.42 109.978 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.59 115.36 26.05 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.772 -0.825 . . . . 75.14 108.772 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.1 mp -72.98 117.24 14.47 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.709 0.804 . . . . 74.34 112.145 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.3 mm -97.73 -56.08 5.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.05 -0.977 . . . . 72.32 110.953 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.68 154.17 48.59 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.265 -0.88 . . . . 75.42 110.237 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.56 HG12 HD11 ' A' ' 650' ' ' LEU . 8.0 p -139.05 139.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.628 0 N-CA-C 109.007 -0.738 . . . . 74.31 109.007 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.42 ' OD1' HG22 ' A' ' 645' ' ' VAL . 17.5 m120 57.56 18.95 4.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.13 0.972 . . . . 71.24 112.407 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.05 6.91 62.89 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.738 -0.744 . . . . 42.32 112.765 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -118.85 133.25 55.96 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.795 -0.446 . . . . 72.52 109.795 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 59.6 m -88.95 137.02 32.69 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.907 0.706 . . . . 73.12 112.907 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.56 HD11 HG12 ' A' ' 645' ' ' VAL . 6.5 mp -109.28 -13.14 14.69 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 115.396 -0.82 . . . . 72.41 110.732 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.74 99.89 0.05 OUTLIER 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.044 0.84 . . . . 73.32 110.672 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 143.21 -25.57 2.19 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 115.4 -0.818 . . . . 50.31 111.606 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 18.1 ptpt -97.18 157.84 15.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.625 -0.43 . . . . 74.12 110.168 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.78 168.05 3.28 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.513 0.56 . . . . 74.21 112.513 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.486 ' OD1' ' HB3' ' A' ' 609' ' ' ARG . 13.3 m120 -60.49 -47.2 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.994 0.518 . . . . 60.05 111.608 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.8 -33.35 70.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.322 -0.399 . . . . 73.21 110.607 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.26 -40.57 97.78 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 109.394 -0.595 . . . . 74.13 109.394 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -60.5 -44.56 95.85 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.082 -0.963 . . . . 62.11 110.203 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.1 mtt -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.595 -0.275 . . . . 74.25 111.363 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.14 -33.62 75.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.322 0.649 . . . . 72.24 109.903 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 42.6 m -74.97 -51.09 14.55 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.549 -0.75 . . . . 63.21 109.703 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.637 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.0 mt -50.96 -55.7 15.98 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.581 0.752 . . . . 73.03 111.951 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -55.15 -37.78 67.4 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.282 0.563 . . . . 74.21 110.755 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -76.16 -46.84 26.59 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.255 -0.884 . . . . 74.35 111.338 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 49.9 m -60.85 -35.98 77.96 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 120.706 0.289 . . . . 72.1 111.073 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.405 0.621 . . . . 75.03 110.575 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 30.4 t -87.39 -48.9 7.6 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.476 -0.783 . . . . 54.34 110.758 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.1 m -73.61 -46.92 44.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.425 -0.352 . . . . 74.22 111.589 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.71 -45.86 7.84 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 112.079 0.4 . . . . 71.43 112.079 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -54.99 -61.86 6.91 Favored Glycine 0 C--O 1.249 1.05 0 O-C-N 123.545 0.528 . . . . 71.4 112.758 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.84 78.58 9.86 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.654 -0.818 . . . . 74.33 109.04 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 55.8 tptt 175.62 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.586 1.554 . . . . 75.3 107.885 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -95.62 -2.56 47.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.497 -0.774 . . . . 61.42 112.484 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.12 -37.23 3.12 Favored Glycine 0 C--N 1.316 -0.576 0 C-N-CA 121.071 -0.585 . . . . 65.33 113.12 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -137.72 156.26 48.19 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.974 0.416 . . . . 64.42 110.759 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.619 HD13 HD11 ' A' ' 601' ' ' LEU . 9.3 tt -111.14 133.77 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.154 0 CA-C-N 115.055 -0.975 . . . . 55.01 109.299 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -102.8 128.38 49.58 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.856 -0.611 . . . . 74.43 110.471 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.491 HD13 HG23 ' A' ' 645' ' ' VAL . 1.6 mm? -116.95 128.42 55.18 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.407 -0.59 . . . . 70.54 109.407 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 95.8 mt -114.98 118.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 N-CA-C 107.984 -1.117 . . . . 62.13 107.984 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.93 161.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 CA-C-N 115.3 -0.864 . . . . 65.33 109.951 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -109.22 125.79 52.62 Favored 'General case' 0 N--CA 1.41 -2.448 0 N-CA-C 107.984 -1.117 . . . . 75.14 107.984 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 N--CA 1.403 -2.817 0 CA-C-N 114.093 -1.412 . . . . 72.42 109.299 -175.491 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.464 0.173 . . . . 75.12 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 34.4 mt-10 -115.98 131.35 56.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.095 0.558 . . . . 73.32 110.572 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 55.0 tp -127.17 128.33 45.96 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.452 0.701 . . . . 71.21 110.47 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.01 126.71 48.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.045 -1.094 . . . . 73.25 108.045 173.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.608 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 17.8 pt . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 117.597 -1.192 . . . . 74.43 111.391 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.978 -0.749 . . . . 50.25 108.978 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.83 129.79 51.33 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.921 -0.582 . . . . 74.11 111.073 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 91.5 mt -118.69 131.9 56.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.673 -0.694 . . . . 72.32 110.767 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 48.8 m -107.13 122.19 46.0 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-N 114.749 -1.114 . . . . 62.45 109.221 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.31 133.7 55.67 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.54 -0.755 . . . . 75.11 109.267 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.51 127.83 55.35 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 108.712 -0.847 . . . . 73.22 108.712 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.451 ' HB ' HG23 ' A' ' 676' ' ' ILE . 66.5 t -119.61 115.73 33.65 Favored Pre-proline 0 C--N 1.281 -2.388 0 N-CA-C 107.72 -1.215 . . . . 71.12 107.72 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 57.8 Cg_endo -76.38 144.44 25.89 Favored 'Trans proline' 0 N--CA 1.422 -2.693 0 N-CA-C 108.713 -1.303 . . . . 70.52 108.713 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 87.6 mt -79.92 83.18 5.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.964 0.888 . . . . 75.15 108.765 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -66.96 -75.05 0.1 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.707 -1.588 . . . . 72.22 109.216 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.56 -73.36 0.64 Allowed 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 106.755 -1.572 . . . . 72.2 106.755 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.639 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.3 m 63.46 6.31 2.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.54 1.311 . . . . 73.24 114.54 170.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -78.19 -44.32 11.77 Favored Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 119.694 -1.241 . . . . 40.13 111.873 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -79.95 -37.67 33.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.73 0.776 . . . . 74.31 110.322 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.639 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -145.74 127.0 14.82 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.251 -1.759 . . . . 42.23 106.251 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.92 -54.3 38.04 Favored Glycine 0 CA--C 1.486 -1.778 0 O-C-N 124.214 0.946 . . . . 60.35 111.616 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 676' ' ' ILE . 11.5 mt -108.93 -27.2 9.82 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.261 -1.015 . . . . 62.51 108.261 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 79.89 48.32 6.64 Favored Glycine 0 N--CA 1.399 -3.819 0 N-CA-C 109.289 -1.524 . . . . 73.22 109.289 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.85 152.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.281 0 N-CA-C 106.403 -1.703 . . . . 74.22 106.403 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 m -113.09 137.28 51.67 Favored 'General case' 0 N--CA 1.395 -3.185 0 N-CA-C 107.048 -1.464 . . . . 63.41 107.048 172.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.2 m -123.8 162.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 CA-C-O 121.278 0.561 . . . . 72.31 111.318 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.52 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 0.1 OUTLIER -139.95 152.73 46.57 Favored 'General case' 0 C--N 1.278 -2.517 0 N-CA-C 107.339 -1.356 . . . . 71.13 107.339 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.36 117.98 5.05 Favored Glycine 0 C--N 1.269 -3.16 0 C-N-CA 119.484 -1.341 . . . . 65.35 110.075 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.556 ' ND2' HD12 ' A' ' 617' ' ' LEU . 53.2 t30 -94.76 131.94 40.06 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.75 -0.833 . . . . 74.41 108.75 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 39.3 ttp180 -134.83 125.66 27.29 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.16 -0.927 . . . . 74.54 109.054 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.287 -2.124 0 N-CA-C 109.122 -0.696 . . . . 72.24 109.122 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 109.173 -0.677 . . . . 64.22 109.173 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.4 p-10 -87.04 150.76 23.81 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.998 -1.112 . . . . 75.25 107.998 177.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.556 HD12 ' ND2' ' A' ' 608' ' ' ASN . 75.6 mt -101.14 -5.18 25.99 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.265 0.555 . . . . 61.01 109.524 178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.44 -172.47 21.25 Favored Glycine 0 C--N 1.308 -1.001 0 CA-C-N 115.371 -0.831 . . . . 63.31 112.683 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -96.43 134.78 32.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 N-CA-C 108.783 -0.821 . . . . 71.33 108.783 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 84.5 m-85 -129.63 147.9 51.47 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.744 -0.465 . . . . 71.14 109.744 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.463 ' HA ' HG12 ' A' ' 605' ' ' VAL . 87.1 t -66.98 126.78 27.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-O 121.295 0.569 . . . . 74.54 110.092 172.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 623' ' ' SER . 18.7 ptmt -97.94 -44.5 6.65 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 116.323 -0.399 . . . . 75.32 110.915 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 623' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 622' ' ' LYS . 37.8 t -150.04 146.31 26.9 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 109.025 -0.731 . . . . 62.21 109.025 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.82 132.03 46.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 109.249 -0.649 . . . . 62.21 109.249 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 75.6 mt -87.54 120.91 37.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-O 121.051 0.453 . . . . 74.22 110.033 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -67.03 117.98 9.83 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.342 -0.845 . . . . 71.45 108.855 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.03 5.26 38.29 Favored Glycine 0 N--CA 1.434 -1.479 0 C-N-CA 120.768 -0.73 . . . . 74.45 111.7 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.83 22.94 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.619 -0.8 . . . . 54.1 111.328 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.24 88.49 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 117.399 0.599 . . . . 72.44 110.918 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -65.46 -25.81 67.67 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.334 -0.394 . . . . 71.13 111.221 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 93.0 p -74.98 -48.42 24.37 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 70.41 110.473 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -76.94 -50.81 12.4 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.068 0.461 . . . . 71.22 112.111 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.96 -50.9 11.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.492 0.553 . . . . 73.34 112.492 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.41 -43.77 8.36 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.62 -1.276 . . . . 51.33 113.559 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 61.91 76.72 0.36 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.857 0.837 . . . . 45.4 112.082 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.14 -170.77 2.17 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.713 -1.131 . . . . 65.54 109.695 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.623 ' NH2' ' HA ' ' A' ' 682' ' ' ARG . 23.0 ptt85 -136.26 171.3 14.68 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.221 0.534 . . . . 74.32 110.125 -176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -79.67 139.37 18.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 172.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 77.2 11.99 2.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 124.924 1.289 . . . . 72.2 112.898 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 2.7 p30 -74.81 141.34 44.32 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 117.097 -1.841 . . . . 55.14 109.645 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 119.2 32.42 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.546 -0.909 . . . . 71.5 108.546 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.435 ' HA ' HG12 ' A' ' 680' ' ' VAL . 6.6 mp -72.84 109.61 6.55 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.7 0.8 . . . . 63.41 111.058 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 651' ' ' LEU . 48.6 mm -87.46 -55.03 6.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.721 -1.127 . . . . 75.12 110.534 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -144.01 157.12 44.53 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.263 -0.88 . . . . 74.54 110.575 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 678' ' ' LEU . 15.0 p -138.07 132.6 43.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.884 -0.784 . . . . 74.04 108.884 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 52.42 23.98 2.75 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.705 1.002 . . . . 62.52 113.705 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.28 59.36 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.743 -0.662 . . . . 65.13 113.478 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.18 131.64 35.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.234 -0.568 . . . . 74.55 110.015 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 19.6 p -93.51 152.24 19.19 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 122.969 0.508 . . . . 65.53 112.086 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.417 HD23 ' HB1' ' A' ' 658' ' ' ALA . 4.1 mp -121.41 18.69 11.37 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.066 -178.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 643' ' ' ILE . 2.0 mm? -79.27 103.05 8.93 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 120.555 -0.458 . . . . 72.44 110.008 -176.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 134.65 -30.23 2.89 Favored Glycine 0 C--N 1.3 -1.447 0 C-N-CA 120.424 -0.893 . . . . 54.24 112.347 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -87.02 155.58 20.1 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.878 -0.329 . . . . 62.41 110.619 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.87 169.43 13.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.99 0.367 . . . . 61.33 111.99 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -57.08 -46.74 82.3 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.234 0.614 . . . . 73.32 111.341 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -68.08 -31.57 71.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.098 -0.501 . . . . 53.22 111.359 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.02 -38.81 63.94 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.653 -0.869 . . . . 71.21 108.653 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.417 ' HB1' HD23 ' A' ' 650' ' ' LEU . . . -59.57 -42.16 91.82 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.468 -1.242 . . . . 54.22 110.622 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 58.5 mtt -66.02 -37.39 85.76 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.882 0.697 . . . . 73.14 112.882 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.55 -38.1 89.85 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.675 -0.861 . . . . 74.02 108.675 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 84.0 m -62.63 -51.14 68.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.543 -0.753 . . . . 52.11 110.136 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.6 mt -56.44 -55.58 31.83 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.898 -0.592 . . . . 52.04 111.475 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.45 -41.87 86.13 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.96 0.41 . . . . 75.42 111.076 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.82 -46.0 87.07 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.864 -0.607 . . . . 61.41 110.28 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 52.1 m -68.28 -32.68 73.02 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 121.277 -0.169 . . . . 54.03 111.173 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 86.8 mtp -72.16 -42.05 66.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.389 -0.524 . . . . 60.23 110.274 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.4 t -73.83 -55.88 5.65 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.917 -0.583 . . . . 62.54 109.944 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.8 m -70.35 -52.43 22.65 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 112.513 0.56 . . . . 73.23 112.513 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 669' ' ' GLU . . . . . 0.566 ' HG3' ' HD3' ' A' ' 672' ' ' LYS . 18.3 tt0 -95.99 -17.14 21.22 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 113.681 0.993 . . . . 70.31 113.681 -173.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.59 96.7 Favored Glycine 0 C--N 1.312 -0.793 0 C-N-CA 120.06 -1.067 . . . . 63.31 110.448 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -82.12 5.68 18.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.151 0.5 . . . . 71.43 111.128 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' LYS . . . . . 0.566 ' HD3' ' HG3' ' A' ' 669' ' ' GLU . 85.5 tttt -85.78 -51.69 6.26 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.236 -0.654 . . . . 64.51 109.236 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -92.83 -23.86 18.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.059 -0.519 . . . . 74.51 111.197 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.75 74.65 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 109.567 -1.413 . . . . 60.13 109.567 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.482 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 25.5 ptt? -148.19 169.56 19.79 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 106.829 -1.545 . . . . 65.4 106.829 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 601' ' ' LEU . 6.8 tt -133.98 144.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.994 0 O-C-N 123.888 0.742 . . . . 74.24 110.573 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -105.06 137.39 42.88 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.886 -0.597 . . . . 63.23 109.794 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 645' ' ' VAL . 1.8 mm? -127.56 135.4 50.26 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.244 -0.65 . . . . 63.53 109.244 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 92.2 mt -120.37 115.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 107.713 -1.217 . . . . 63.23 107.713 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 642' ' ' LEU . 34.5 m -123.89 156.53 30.92 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.725 0 CA-C-N 115.33 -0.85 . . . . 70.04 109.784 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.22 143.21 42.34 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.448 0.642 . . . . 53.11 110.427 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.623 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 4.3 ptp180 . . . . . 0 C--N 1.292 -1.929 0 N-CA-C 109.299 -0.63 . . . . 75.55 109.299 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.429 -1.486 0 CA-C-O 121.076 0.465 . . . . 73.51 111.134 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.52 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 87.3 mt-10 -133.95 132.88 40.71 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.991 -1.004 . . . . 64.53 110.096 175.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.81 131.58 49.55 Favored 'General case' 0 N--CA 1.398 -3.033 0 CA-C-N 114.722 -1.127 . . . . 72.44 110.13 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.26 120.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 107.947 -1.131 . . . . 73.25 107.947 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.507 HD12 HD12 ' A' ' 601' ' ' LEU . 11.1 pt . . . . . 0 N--CA 1.415 -2.219 0 CA-C-O 117.629 -1.177 . . . . 74.25 111.019 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.238 0.491 0 N-CA-C 109.921 -0.4 . . . . 72.34 109.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.12 123.06 47.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 O-C-N 123.578 0.549 . . . . 73.21 112.286 -173.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.11 139.36 49.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.086 -0.709 . . . . 74.4 109.086 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 94.1 m -108.28 122.18 46.43 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.468 -0.567 . . . . 45.31 109.468 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.83 135.05 54.38 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 109.027 -0.731 . . . . 72.34 109.027 175.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -115.24 116.4 28.27 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.655 -0.869 . . . . 75.24 108.655 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 73.1 t -116.3 119.85 35.83 Favored Pre-proline 0 C--N 1.276 -2.591 0 CA-C-N 114.065 -1.425 . . . . 71.41 111.113 -170.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 58.1 Cg_endo -71.36 148.13 54.25 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 121.198 1.265 . . . . 73.01 109.673 174.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.46 19.43 1.26 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.76 -0.588 . . . . 63.32 110.716 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 592' ' ' PRO . 8.3 t30 -60.99 -69.82 0.21 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.433 -1.258 . . . . 71.24 112.429 -176.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.43 -23.85 61.13 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.837 0.351 . . . . 74.31 111.052 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 599' ' ' ALA . 18.0 m -58.63 -65.51 0.65 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.352 -0.84 . . . . 71.12 109.695 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 65.13 -74.51 0.08 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 123.436 0.46 . . . . 65.22 113.484 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.2 m -92.13 -13.31 30.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-O 121.144 0.497 . . . . 64.33 110.286 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 596' ' ' SER . . . -116.16 175.68 5.44 Favored 'General case' 0 N--CA 1.394 -3.264 0 N-CA-C 107.012 -1.477 . . . . 75.03 107.012 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -97.32 -52.63 1.43 Allowed Glycine 0 C--N 1.26 -3.649 0 N-CA-C 109.607 -1.397 . . . . 40.32 109.607 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.629 HD23 ' HB ' ' B' ' 784' ' ' ILE . 2.5 mm? -110.4 -40.46 4.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.782 -1.192 . . . . 72.24 107.782 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.592 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.87 53.17 2.44 Favored Glycine 0 N--CA 1.398 -3.894 0 N-CA-C 107.125 -2.39 . . . . 71.54 107.125 -175.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.8 t -140.99 153.03 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 106.97 -1.493 . . . . 45.14 106.97 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 622' ' ' LYS . 32.5 m -108.83 134.24 51.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 106.879 -1.526 . . . . 72.04 106.879 172.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 621' ' ' VAL . 6.1 m -124.61 165.86 20.94 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.885 0 CA-C-O 121.313 0.578 . . . . 74.35 111.74 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.632 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 65.2 pttt -149.54 153.12 36.67 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 114.661 -1.154 . . . . 51.22 109.075 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.25 130.12 10.09 Favored Glycine 0 C--N 1.273 -2.932 0 C-N-CA 119.153 -1.499 . . . . 55.22 110.842 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.582 ' ND2' HD12 ' A' ' 617' ' ' LEU . 54.5 t30 -103.29 129.45 50.29 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.625 -0.879 . . . . 64.33 108.625 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.443 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 14.2 ttm180 -128.67 129.79 46.32 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 108.775 -0.824 . . . . 73.22 108.775 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.406 -2.629 0 N-CA-C 106.484 -1.673 . . . . 44.25 106.484 172.812 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 109.692 -0.484 . . . . 53.12 109.692 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.5 m-20 -80.65 152.49 28.44 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.005 -1.109 . . . . 71.3 108.005 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' LEU . . . . . 0.582 HD12 ' ND2' ' A' ' 608' ' ' ASN . 58.3 mt -100.04 -5.17 28.48 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.698 0.761 . . . . 75.45 109.373 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.1 -176.16 24.42 Favored Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 115.008 -0.996 . . . . 72.03 111.916 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.426 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.1 mm -91.97 132.55 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.945 -1.131 . . . . 72.0 107.945 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.1 m-85 -122.76 149.94 43.45 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 120.746 0.308 . . . . 74.1 110.58 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.567 ' HA ' HG12 ' A' ' 605' ' ' VAL . 94.2 t -65.13 119.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 CA-C-O 122.322 1.058 . . . . 75.45 110.351 173.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 604' ' ' SER . 70.9 tttt -83.32 -60.17 2.23 Favored 'General case' 0 C--N 1.26 -3.318 0 CA-C-N 113.74 -1.573 . . . . 74.12 109.847 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 24.0 t -151.7 155.39 38.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.407 -0.96 . . . . 74.24 108.407 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -98.59 135.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 117.688 0.222 . . . . 70.13 110.549 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.592 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.1 mt -91.34 117.15 34.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.76 -0.83 . . . . 65.51 108.76 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -74.42 122.75 23.48 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.772 -0.649 . . . . 70.1 110.324 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.94 14.56 Favored Glycine 0 C--N 1.297 -1.589 0 N-CA-C 110.116 -1.194 . . . . 50.34 110.116 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -71.72 145.82 39.17 Favored Glycine 0 N--CA 1.438 -1.231 0 N-CA-C 111.247 -0.741 . . . . 74.23 111.247 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.01 69.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.707 0.289 . . . . 64.11 111.452 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.401 ' HA ' ' CG2' ' A' ' 591' ' ' VAL . . . -65.0 -27.74 69.04 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-O 121.105 0.479 . . . . 72.23 110.764 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 33.2 t -77.71 -43.03 32.36 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.467 -0.788 . . . . 74.15 109.764 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.73 -52.86 10.43 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.401 -0.52 . . . . 64.25 111.824 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.34 -52.56 7.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.043 0.449 . . . . 72.25 111.85 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -79.08 -43.75 10.49 Favored Glycine 0 CA--C 1.496 -1.124 0 C-N-CA 120.156 -1.021 . . . . 71.02 114.002 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 67.56 89.29 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.764 0.792 . . . . 72.31 109.816 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.9 177.13 5.05 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.276 -0.875 . . . . 74.25 110.736 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.421 HH21 ' NE ' ' A' ' 682' ' ' ARG . 0.0 OUTLIER -140.65 155.86 46.4 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.212 -0.449 . . . . 55.44 111.942 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 91.4 t -70.08 137.87 23.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.55 -0.75 . . . . 74.41 110.18 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.8 t30 75.31 16.58 2.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.022 1.329 . . . . 51.01 110.59 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 58.9 t0 -77.5 137.03 38.41 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.661 -1.237 . . . . 73.21 107.661 175.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 114.32 27.13 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 118.301 0.5 . . . . 63.32 110.92 -172.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.43 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.6 mp -74.51 120.67 20.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.299 1.04 . . . . 61.24 111.63 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.2 mm -100.95 -53.3 7.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.849 -0.614 . . . . 65.55 112.05 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -137.75 156.11 48.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.649 -0.705 . . . . 64.43 111.571 -174.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.412 HG23 HD11 ' A' ' 676' ' ' ILE . 7.4 p -136.4 123.82 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.262 -0.881 . . . . 53.44 110.728 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.583 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.8 m-20 51.72 29.29 5.6 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.754 1.39 . . . . 63.33 114.754 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.28 62.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.641 -0.79 . . . . 71.45 112.722 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -93.06 125.13 37.5 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.371 -0.974 . . . . 73.11 108.371 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -98.43 129.71 45.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.342 -0.614 . . . . 72.52 109.342 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.8 pt? -125.72 10.66 7.78 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.291 0.849 . . . . 75.23 113.291 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 62.6 tp -77.76 84.12 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.342 -0.943 . . . . 64.42 110.197 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 169.17 36.46 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.013 -0.994 . . . . 54.24 110.739 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -159.12 167.02 30.23 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.847 -0.798 . . . . 74.34 108.847 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.437 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -64.46 157.01 27.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.667 0.604 . . . . 74.53 111.645 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.443 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 14.0 m120 -50.81 -47.33 59.97 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.458 0.703 . . . . 64.31 112.416 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.65 -37.59 86.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.371 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.56 -38.76 81.04 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.782 0.801 . . . . 72.24 109.343 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.75 76.32 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.505 -1.225 . . . . 75.13 109.93 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.15 -37.5 83.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.153 0.427 . . . . 62.3 112.153 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.82 -37.9 83.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.361 0.601 . . . . 54.14 109.958 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 57.9 m -76.77 -48.25 19.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.547 -0.751 . . . . 71.41 109.485 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.676 ' O ' ' HG3' ' A' ' 666' ' ' MET . 64.8 tp -56.23 -56.09 25.3 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.666 1.187 . . . . 73.31 112.754 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -58.98 -35.96 74.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.395 0.617 . . . . 74.44 110.442 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.75 -48.01 56.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.579 -0.737 . . . . 54.31 110.941 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 73.0 m -67.63 -27.32 66.78 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 111.696 0.258 . . . . 71.44 111.696 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 89.3 mtp -64.67 -41.87 95.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.045 0.45 . . . . 75.3 110.193 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 25.4 t -88.03 -49.75 6.84 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.668 -0.696 . . . . 60.05 110.866 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 62.0 m -73.42 -46.44 48.57 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.085 0.469 . . . . 64.01 111.113 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 672' ' ' LYS . 42.5 mt-10 -93.15 -1.57 56.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.159 0.429 . . . . 71.1 112.159 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -82.93 -42.75 7.98 Favored Glycine 0 CA--C 1.497 -1.083 0 N-CA-C 110.044 -1.222 . . . . 70.22 110.044 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.52 -18.49 65.36 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.819 0.848 . . . . 73.42 112.342 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 63.5 pttt -72.9 -26.41 61.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.209 0.528 . . . . 73.11 110.936 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -110.72 -48.3 3.15 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.613 0.72 . . . . 73.43 110.576 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 110.24 -9.88 31.18 Favored Glycine 0 C--N 1.305 -1.155 0 N-CA-C 108.376 -1.89 . . . . 72.32 108.376 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.519 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.8 ptp -135.43 150.61 49.91 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 113.736 -1.232 . . . . 71.3 108.936 177.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.583 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 4.7 tt -110.97 132.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.653 0 CA-C-N 115.04 -0.982 . . . . 74.22 110.962 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.67 126.51 45.71 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 114.332 -1.304 . . . . 60.51 109.122 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 678' ' ' LEU . 1.0 OUTLIER -131.12 128.32 39.89 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-O 121.08 0.466 . . . . 74.02 111.6 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.2 mp -103.37 124.11 57.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.051 -1.463 . . . . 70.32 107.051 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.37 152.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 N-CA-C 109.06 -0.718 . . . . 72.45 109.06 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -119.83 125.79 49.41 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 116.026 -0.534 . . . . 74.44 111.441 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.421 ' NE ' HH21 ' A' ' 637' ' ' ARG . 1.2 ptp180 . . . . . 0 C--N 1.301 -1.516 0 N-CA-C 107.504 -1.295 . . . . 61.13 107.504 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 780' ' ' GLU . . . . . 0.402 ' OE2' ' HB2' ' A' ' 655' ' ' ASN . 44.2 mt-10 . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.953 0.882 . . . . 71.32 112.009 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.632 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 77.0 mt-10 -107.62 135.17 49.51 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.238 -1.347 . . . . 72.4 109.851 168.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 50.7 tp -137.47 134.46 35.8 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 116.012 -0.54 . . . . 54.25 111.082 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.9 123.63 48.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.854 -0.795 . . . . 55.55 108.854 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.629 ' HB ' HD23 ' A' ' 601' ' ' LEU . 16.4 pt . . . . . 0 N--CA 1.424 -1.729 0 CA-C-O 118.137 -0.935 . . . . 71.23 110.944 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 110.221 -0.288 . . . . 74.41 110.221 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 586' ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' ' 643' ' ' ILE . 4.6 m-30 -95.3 136.18 35.98 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.455 -0.793 . . . . 74.33 111.43 -174.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.82 154.22 31.1 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.83 -1.174 . . . . 72.43 107.83 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 31.7 m -116.07 122.47 45.24 Favored 'General case' 0 C--N 1.287 -2.13 0 C-N-CA 120.117 -0.633 . . . . 73.44 110.33 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' PHE . . . . . 0.535 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 51.5 m-85 -123.84 119.33 29.36 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 109.576 -0.528 . . . . 71.42 109.576 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.48 ' HG2' ' HG3' ' A' ' 677' ' ' GLN . 44.9 mt-10 -106.77 130.82 54.42 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.994 -0.743 . . . . 74.52 108.994 176.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 630' ' ' ALA . 94.8 t -120.08 117.6 32.0 Favored Pre-proline 0 C--N 1.281 -2.403 0 CA-C-N 115.631 -0.713 . . . . 72.14 110.279 -172.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 73.0 Cg_endo -73.98 148.44 40.29 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.721 1.614 . . . . 63.44 111.409 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 65.77 2.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.854 0.835 . . . . 45.13 110.402 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 5.3 m-20 -102.19 -71.92 0.7 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.475 -1.239 . . . . 64.41 110.161 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.06 50.99 1.84 Allowed 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.74 0.781 . . . . 75.32 109.464 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 14.1 m -115.97 112.13 21.38 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-N 114.614 -1.175 . . . . 74.44 108.716 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -177.03 -50.44 0.06 OUTLIER Glycine 0 N--CA 1.419 -2.491 0 N-CA-C 110.092 -1.203 . . . . 41.41 110.092 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.9 m -86.67 -22.74 25.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.986 0.898 . . . . 55.41 108.765 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -156.15 162.43 40.22 Favored 'General case' 0 N--CA 1.402 -2.862 0 N-CA-C 104.9 -2.259 . . . . 71.51 104.9 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -84.2 -58.02 2.27 Favored Glycine 0 C--N 1.28 -2.581 0 N-CA-C 110.781 -0.928 . . . . 74.54 110.781 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 676' ' ' ILE . 6.3 mp -102.28 -28.28 12.36 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.259 -1.015 . . . . 71.42 108.259 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 81.05 51.2 4.83 Favored Glycine 0 N--CA 1.404 -3.436 0 N-CA-C 109.329 -1.508 . . . . 55.23 109.329 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 603' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 621' ' ' VAL . 46.6 t -134.66 150.98 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 N-CA-C 107.278 -1.379 . . . . 71.51 107.278 177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 26.1 m -110.23 132.19 54.39 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 106.392 -1.707 . . . . 61.12 106.392 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 642' ' ' LEU . 4.1 m -124.25 159.06 30.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.417 0 CA-C-O 121.402 0.62 . . . . 71.0 111.724 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.493 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 64.3 pttt -149.13 153.01 37.1 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 115.114 -0.948 . . . . 71.43 109.925 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -110.89 134.67 12.33 Favored Glycine 0 C--N 1.265 -3.409 0 C-N-CA 119.981 -1.104 . . . . 13.23 110.756 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -103.5 127.16 50.95 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.847 -1.168 . . . . 71.23 107.847 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -124.12 128.91 49.97 Favored 'General case' 0 C--N 1.27 -2.876 0 N-CA-C 109.819 -0.437 . . . . 70.53 109.819 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 C--N 1.29 -2.007 0 N-CA-C 108.273 -1.01 . . . . 45.11 108.273 175.585 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.641 0 CA-C-O 121.037 0.446 . . . . 55.24 110.381 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.75 146.54 29.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.194 -1.039 . . . . 73.53 108.194 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.2 -6.36 44.92 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.783 -0.821 . . . . 62.42 108.783 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 101.29 -179.6 28.35 Favored Glycine 0 N--CA 1.426 -1.97 0 CA-C-N 114.565 -1.198 . . . . 42.24 112.687 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 43.6 mm -91.34 126.8 43.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.491 -0.929 . . . . 74.34 108.491 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.0 m-85 -118.77 150.12 40.33 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 122.836 0.454 . . . . 72.53 110.679 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' A' ' 603' ' ' VAL . 93.3 t -71.77 130.87 35.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.569 -0.741 . . . . 72.02 109.997 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -88.08 -64.55 1.13 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.875 -0.787 . . . . 74.41 108.875 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 22.5 p -149.38 157.56 43.42 Favored 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 114.209 -1.36 . . . . 73.3 109.606 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.445 HD13 HG22 ' A' ' 638' ' ' VAL . 1.0 OUTLIER -94.64 134.7 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 C-N-CA 123.409 0.684 . . . . 74.32 110.4 176.111 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.68 115.16 28.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 106.739 -1.578 . . . . 72.14 106.739 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -50.91 -32.09 19.6 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.133 1.161 . . . . 64.23 114.133 -173.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -93.93 42.79 2.48 Favored Glycine 0 C--N 1.299 -1.517 0 C-N-CA 121.268 -0.492 . . . . 74.12 111.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -126.79 152.75 18.63 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.893 -0.883 . . . . 50.3 110.893 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 112.478 0.547 . . . . 74.43 112.478 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' A' ' 591' ' ' VAL . . . -72.92 -26.75 61.51 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-O 121.976 0.893 . . . . 72.41 109.443 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.3 m -76.28 -52.27 10.32 Favored 'General case' 0 C--N 1.275 -2.666 0 CA-C-N 113.721 -1.581 . . . . 73.42 109.685 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.51 -51.63 14.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.629 0.603 . . . . 65.22 112.629 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.81 -51.44 9.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.041 0.448 . . . . 74.31 111.832 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -78.85 -32.05 41.89 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.179 -0.918 . . . . 75.24 115.194 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.18 35.13 18.59 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.399 -1.334 . . . . 75.35 107.399 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 636' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 3.0 tt -56.37 129.54 40.95 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.826 0.822 . . . . 75.23 111.142 -171.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.792 ' HD3' ' OD2' ' A' ' 640' ' ' ASP . 7.1 ptm180 -54.63 -26.2 31.43 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 118.419 2.748 . . . . 72.01 118.419 -167.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 638' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 70.0 t 75.65 145.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 118.504 0.593 . . . . 71.51 112.159 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.59 26.28 15.98 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.691 1.596 . . . . 73.44 109.656 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.902 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 13.0 t70 -96.04 157.57 15.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 CA-C-N 114.648 -1.16 . . . . 63.04 108.416 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.94 117.83 35.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.835 -0.802 . . . . 61.43 108.835 -176.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.416 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.2 mp -72.39 109.91 6.43 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.518 0.727 . . . . 72.43 111.082 -176.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.588 HG23 HD21 ' A' ' 651' ' ' LEU . 47.5 mm -86.93 -64.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.372 -0.831 . . . . 74.23 111.659 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.574 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -123.4 142.53 50.88 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.613 0.598 . . . . 61.34 112.613 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.95 119.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.494 -0.775 . . . . 53.34 109.22 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 677' ' ' GLN . 86.6 m-20 53.07 24.57 3.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.809 0.814 . . . . 73.5 112.362 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 116.7 -33.91 4.88 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-N 114.888 -1.051 . . . . 55.43 113.99 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 644' ' ' ALA . 11.9 pt-20 -90.55 131.59 36.19 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 115.003 1.483 . . . . 63.44 115.003 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.1 m -81.25 137.82 35.81 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.438 -1.256 . . . . 63.12 110.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.495 HD13 ' HB1' ' A' ' 658' ' ' ALA . 83.5 mt -100.39 17.13 22.31 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.0 0.52 . . . . 71.31 111.364 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 643' ' ' ILE . 2.9 mm? -84.05 -1.57 55.07 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.677 0.621 . . . . 74.22 112.677 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -105.99 16.68 42.57 Favored Glycine 0 C--N 1.308 -0.988 0 C-N-CA 120.755 -0.736 . . . . 70.44 111.61 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 657' ' ' GLU . 6.1 ptpp? -150.76 159.1 44.75 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 122.815 0.446 . . . . 53.42 109.797 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.06 170.65 15.02 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.197 0.311 . . . . 74.14 111.025 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -52.35 -47.51 66.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.753 0.821 . . . . 62.31 112.156 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 656' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 65.0 tt0 -63.52 -46.76 84.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.358 -0.383 . . . . 62.25 110.861 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 657' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 653' ' ' LYS . 33.8 mm-40 -61.14 -39.45 90.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.586 0.707 . . . . 72.13 109.269 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 650' ' ' LEU . . . -59.78 -47.77 84.36 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 114.807 -1.088 . . . . 73.41 109.839 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.2 mtt -60.13 -43.74 95.43 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 112.086 0.402 . . . . 62.31 112.086 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 43.6 mm-40 -61.41 -41.81 97.74 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.043 0.449 . . . . 61.32 110.452 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 46.3 m -70.72 -43.01 69.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.82 -0.627 . . . . 75.21 109.31 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 43.0 tp -55.18 -54.0 48.89 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.198 0.999 . . . . 73.32 111.398 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -56.72 -36.0 69.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.884 0.373 . . . . 72.52 111.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.22 -50.26 14.94 Favored 'General case' 0 C--O 1.205 -1.287 0 CA-C-N 116.331 -0.395 . . . . 73.3 110.943 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -28.43 65.79 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 113.0 0.741 . . . . 71.2 113.0 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.53 ' SD ' HG22 ' B' ' 784' ' ' ILE . 23.9 ptm -72.46 -30.08 64.25 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.047 -0.661 . . . . 70.33 110.274 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.5 -50.49 5.59 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 116.131 -0.486 . . . . 54.24 110.885 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 23.0 m -72.95 -50.02 25.83 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 120.771 0.32 . . . . 74.41 111.202 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -28.06 29.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.36 -0.382 . . . . 72.32 111.345 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 670' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 666' ' ' MET . . . -57.46 -60.2 9.44 Favored Glycine 0 CA--C 1.51 -0.269 0 CA-C-N 116.139 -0.482 . . . . 64.03 113.526 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -72.89 -15.36 61.59 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.227 0.537 . . . . 73.43 111.515 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -75.02 -45.3 42.75 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.19 -0.67 . . . . 70.4 109.19 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -71.09 -30.91 67.15 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.309 -0.86 . . . . 74.02 110.885 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 97.55 -22.78 38.98 Favored Glycine 0 C--O 1.246 0.844 0 N-CA-C 109.863 -1.295 . . . . 65.22 109.863 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.432 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 26.6 ptt? -148.05 160.93 42.35 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.336 -1.357 . . . . 65.33 107.336 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.544 HD13 HD11 ' A' ' 601' ' ' LEU . 7.7 tt -110.1 132.06 59.41 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.059 0 CA-C-O 121.523 0.678 . . . . 71.24 109.675 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 677' ' ' GLN . . . . . 0.48 ' HG3' ' HG2' ' A' ' 590' ' ' GLU . 63.5 tt0 -99.98 127.37 46.19 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.046 -0.979 . . . . 75.31 109.981 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.2 mm? -127.64 127.56 43.99 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.732 -0.84 . . . . 71.41 108.732 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 1.9 mp -103.23 126.89 57.52 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.777 0 N-CA-C 104.894 -2.262 . . . . 71.11 104.894 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.902 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 30.9 m -122.53 164.96 19.08 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.401 0 N-CA-C 109.089 -0.708 . . . . 72.34 109.089 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.48 130.93 28.92 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.097 0.475 . . . . 60.22 111.047 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 N--CA 1.421 -1.896 0 C-N-CA 119.702 -0.799 . . . . 71.12 110.824 179.589 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 N--CA 1.433 -1.294 0 CA-C-O 121.622 0.725 . . . . 71.41 111.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 22.4 mt-10 -130.3 145.64 51.8 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 124.304 1.042 . . . . 71.12 110.933 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.9 tp -144.41 142.05 30.07 Favored 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 123.457 0.703 . . . . 74.05 109.399 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 3.2 mp -101.71 137.42 29.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.571 -0.9 . . . . 74.23 108.571 170.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' A' ' 666' ' ' MET . 11.4 pt . . . . . 0 N--CA 1.425 -1.704 0 CA-C-O 117.709 -1.138 . . . . 63.12 111.577 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.435 -1.225 0 CA-C-O 120.953 0.406 . . . . 73.12 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 586' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 643' ' ' ILE . 7.4 m-30 -90.96 143.42 26.74 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.589 -0.732 . . . . 74.21 110.325 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.08 129.67 48.42 Favored 'General case' 0 C--N 1.275 -2.646 0 N-CA-C 107.203 -1.406 . . . . 61.32 107.203 176.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' THR . . . . . 0.445 ' HB ' HG13 ' A' ' 679' ' ' ILE 0.253 10.3 t -116.17 124.73 51.03 Favored 'General case' 0 C--N 1.257 -3.422 0 C-N-CA 118.735 -1.186 . . . . 75.42 111.412 177.275 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -110.98 133.65 53.22 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.783 -1.099 . . . . 64.24 109.034 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 590' ' ' GLU . . . . . 0.407 ' HB3' ' HE2' ' A' ' 675' ' ' MET . 46.4 mt-10 -109.07 128.1 54.69 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.319 -0.623 . . . . 43.1 109.319 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.487 ' HB ' HG23 ' A' ' 676' ' ' ILE . 40.5 t -121.68 121.52 28.23 Favored Pre-proline 0 C--N 1.291 -1.951 0 CA-C-N 115.266 -0.879 . . . . 74.44 108.658 -172.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.442 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 96.0 Cg_endo -79.49 135.81 12.01 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 120.968 1.112 . . . . 52.23 111.123 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.28 75.23 5.85 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.94 0.876 . . . . 65.15 109.364 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 19.1 m120 -128.66 -60.7 1.09 Allowed 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.351 -1.295 . . . . 73.42 111.509 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.29 73.65 1.05 Allowed 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.003 0.906 . . . . 75.31 110.573 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 49.5 m -154.38 19.19 0.48 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.919 -1.491 . . . . 75.22 108.177 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.89 77.49 Favored Glycine 0 C--N 1.305 -1.165 0 CA-C-N 114.735 -1.12 . . . . 43.21 110.328 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 25.9 m -70.73 -16.81 62.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.875 -0.663 . . . . 54.43 110.246 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -139.42 -80.86 0.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.442 0.639 . . . . 72.13 111.32 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -177.31 -62.06 0.06 OUTLIER Glycine 0 C--N 1.286 -2.234 0 N-CA-C 106.474 -2.65 . . . . 61.54 106.474 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.486 HD21 HG21 ' A' ' 676' ' ' ILE . 19.8 mt -122.33 -39.42 2.57 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 106.273 -1.751 . . . . 71.12 106.273 167.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 101.57 46.8 1.61 Allowed Glycine 0 N--CA 1.403 -3.561 0 CA-C-N 113.739 -1.573 . . . . 65.54 110.692 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.9 t -137.58 152.51 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 N-CA-C 107.05 -1.463 . . . . 55.05 107.05 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 38.4 m -112.56 134.0 54.32 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.337 -1.357 . . . . 64.33 107.337 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.51 HG11 ' CD2' ' A' ' 642' ' ' LEU . 5.0 m -127.5 158.91 38.64 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 CA-C-O 121.202 0.525 . . . . 63.14 111.524 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.53 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 23.3 pttm -148.73 151.59 35.14 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.368 -0.833 . . . . 64.23 109.721 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.55 145.36 15.91 Favored Glycine 0 N--CA 1.416 -2.684 0 C-N-CA 119.845 -1.169 . . . . 53.04 110.959 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -116.12 132.41 56.67 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.816 -1.55 . . . . 73.13 106.816 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.651 ' HG3' ' ND2' ' A' ' 655' ' ' ASN . 57.9 mtm180 -116.77 151.1 37.16 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 112.724 0.639 . . . . 73.15 112.724 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--N 1.309 -1.194 0 CA-C-N 114.864 -1.062 . . . . 75.11 109.993 176.355 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 107.022 -1.473 . . . . 73.1 107.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -120.66 152.53 38.09 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 106.966 -1.494 . . . . 71.14 106.966 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.17 -11.67 23.99 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.429 -0.582 . . . . 64.13 109.429 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 99.31 -175.08 27.93 Favored Glycine 0 C--N 1.309 -0.919 0 CA-C-N 115.042 -0.981 . . . . 75.43 112.836 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.3 mm -91.66 126.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 C-N-CA 122.964 0.505 . . . . 43.33 109.716 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.1 m-85 -120.26 151.32 39.34 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 116.124 -0.489 . . . . 64.41 110.045 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.426 ' HA ' HG12 ' A' ' 605' ' ' VAL . 57.7 t -71.22 136.25 26.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 116.236 -0.438 . . . . 73.33 109.878 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.88 -37.72 5.32 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.138 0.494 . . . . 74.33 110.908 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 32.9 t -150.51 144.16 25.17 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 109.419 -0.585 . . . . 71.24 109.419 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -102.36 129.17 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 108.154 -1.054 . . . . 72.32 108.154 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.7 mt -93.51 113.08 27.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 121.297 0.57 . . . . 62.4 109.648 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -80.5 86.78 5.76 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.651 0.739 . . . . 73.13 110.501 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 178.04 -32.04 0.07 OUTLIER Glycine 0 C--N 1.295 -1.744 0 N-CA-C 110.144 -1.183 . . . . 63.43 110.144 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.31 40.67 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.578 -0.82 . . . . 52.21 111.617 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.12 65.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 54.22 111.058 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.11 -26.83 68.72 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.407 0.622 . . . . 75.13 110.7 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 44.3 t -77.84 -47.29 19.19 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.317 -0.856 . . . . 70.41 109.869 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -49.9 21.75 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.111 -0.495 . . . . 74.41 111.576 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.18 -43.02 29.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 111.953 0.353 . . . . 74.45 111.953 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -84.31 -43.53 6.97 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 119.823 -1.18 . . . . 73.33 114.354 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 635' ' ' ARG . 2.3 mmp_? 54.54 74.92 0.32 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.224 0.535 . . . . 64.33 111.791 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.66 -177.33 4.53 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.153 -0.476 . . . . 71.03 109.86 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 640' ' ' ASP . 12.0 ptp180 -129.71 164.08 24.75 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.195 -0.669 . . . . 72.14 109.195 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.73 145.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 108.289 -1.004 . . . . 71.14 108.289 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.59 20.79 4.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.189 0.996 . . . . 72.41 110.23 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 637' ' ' ARG . 7.4 t70 -92.23 149.82 21.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.654 -0.869 . . . . 61.04 108.654 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -93.84 125.49 38.49 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 112.733 0.642 . . . . 73.31 112.733 -172.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.51 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.8 mp -85.62 110.9 19.59 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.582 0.706 . . . . 63.51 110.26 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.497 HD12 HD22 ' A' ' 651' ' ' LEU . 43.8 mm -85.8 -57.03 4.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.152 -0.931 . . . . 65.15 110.518 -176.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.31 155.91 44.03 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.76 -0.655 . . . . 71.41 111.409 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.493 HG23 HD13 ' A' ' 678' ' ' LEU . 12.7 p -133.5 129.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.122 -0.696 . . . . 74.32 109.122 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 47.73 36.41 5.67 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.501 0.667 . . . . 71.12 112.484 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 80.5 -1.05 83.75 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 115.211 -0.904 . . . . 53.25 115.094 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.51 ' OE1' HG21 ' A' ' 661' ' ' THR . 0.3 OUTLIER -94.71 129.82 41.47 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.329 -1.36 . . . . 50.04 107.329 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.5 m -82.02 106.28 13.8 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.534 0.683 . . . . 62.21 112.643 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.89 -28.62 44.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.774 -0.648 . . . . 63.53 109.767 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 643' ' ' ILE . 53.4 tp -65.77 -13.57 59.65 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.749 -0.659 . . . . 52.35 111.851 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -91.51 -4.78 67.67 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.639 -0.791 . . . . 73.23 112.322 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -130.27 163.16 27.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.32 -0.252 . . . . 74.21 110.32 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.29 161.68 28.78 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.002 0.189 . . . . 73.41 110.981 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.651 ' ND2' ' HG3' ' A' ' 609' ' ' ARG . 57.5 m-20 -51.03 -48.29 61.52 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.343 0.657 . . . . 60.41 112.557 -175.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.53 -36.67 79.15 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.652 -0.704 . . . . 71.21 112.298 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.83 -38.54 76.56 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.55 96.82 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.132 -1.395 . . . . 60.54 110.996 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 mtt -62.22 -41.95 98.86 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.488 0.551 . . . . 71.3 112.488 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.58 -41.37 98.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.296 0.569 . . . . 70.04 109.611 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 661' ' ' THR . . . . . 0.51 HG21 ' OE1' ' A' ' 648' ' ' GLU . 86.4 m -71.09 -39.24 72.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.279 -0.873 . . . . 71.35 110.469 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.603 ' O ' ' HG3' ' A' ' 666' ' ' MET . 36.2 tp -59.54 -56.07 26.54 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.725 0.81 . . . . 61.01 111.687 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.88 -36.36 83.08 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.208 0.528 . . . . 72.22 110.563 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.03 -50.08 74.79 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.02 -0.991 . . . . 72.12 110.449 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 40.2 m -64.07 -34.37 77.88 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 116.439 -0.346 . . . . 60.21 110.669 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 83.5 mtp -66.55 -41.23 88.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.129 0.49 . . . . 54.54 109.8 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.9 t -78.82 -55.71 4.95 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.525 -0.761 . . . . 55.24 110.896 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 58.4 m -69.94 -54.32 13.86 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.145 -0.479 . . . . 54.31 112.081 -175.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.985 0.735 . . . . 74.25 112.985 -176.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.56 -52.11 54.87 Favored Glycine 0 C--N 1.315 -0.625 0 C-N-CA 121.222 -0.513 . . . . 74.14 112.655 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.11 -12.99 60.43 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.504 0.669 . . . . 64.52 110.672 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -84.01 -40.74 18.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.29 0.567 . . . . 73.12 110.702 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -90.41 -22.59 21.37 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.043 -0.526 . . . . 75.14 110.427 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.12 -29.73 10.75 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.802 -0.919 . . . . 62.34 110.802 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.7 ptm -135.44 150.72 49.92 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.962 -0.755 . . . . 73.43 108.962 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 591' ' ' VAL . 7.9 tt -111.09 141.0 27.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 115.451 -0.795 . . . . 74.22 110.329 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -106.92 135.46 48.44 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.727 -0.67 . . . . 73.32 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 645' ' ' VAL . 1.7 mm? -127.78 123.7 35.88 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.878 -1.156 . . . . 55.41 107.878 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.445 HG13 ' HB ' ' A' ' 588' ' ' THR . 2.6 mp -108.57 119.74 58.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 107.291 -1.374 . . . . 73.31 107.291 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.464 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.8 m -122.59 173.25 8.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.174 -0.676 . . . . 73.4 109.174 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -137.66 126.05 23.35 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 120.892 0.377 . . . . 73.04 111.586 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 . . . . . 0 N--CA 1.417 -2.087 0 N-CA-C 107.761 -1.2 . . . . 64.43 107.761 175.227 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.199 -1.6 0 N-CA-C 110.299 -0.26 . . . . 75.12 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.53 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 50.7 mt-10 -117.74 138.41 52.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 112.892 0.701 . . . . 74.33 112.892 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 60.7 tp -140.43 134.95 31.51 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 115.349 -0.841 . . . . 73.44 110.376 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -104.14 125.81 58.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.54 -0.911 . . . . 73.52 108.54 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.526 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 19.9 pt . . . . . 0 N--CA 1.411 -2.389 0 CA-C-O 117.934 -1.032 . . . . 72.41 109.276 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 17.0 pt-20 . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.784 -1.191 . . . . 72.31 107.784 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.72 132.66 54.48 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.77 0.655 . . . . 75.35 112.77 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.64 140.25 51.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.217 -0.447 . . . . 72.41 109.89 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 43.0 m -116.15 122.41 44.99 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.897 -0.592 . . . . 73.1 109.936 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -125.88 141.44 51.98 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.534 -0.303 . . . . 73.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.33 127.11 54.39 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.655 0.74 . . . . 74.05 110.437 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.405 ' HB ' HG23 ' A' ' 676' ' ' ILE . 91.9 t -117.85 117.39 35.65 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 114.469 -1.242 . . . . 71.12 108.927 -174.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 78.8 Cg_endo -77.39 145.38 23.78 Favored 'Trans proline' 0 N--CA 1.44 -1.657 0 C-N-CA 121.128 1.219 . . . . 71.41 110.139 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.15 78.87 5.6 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.906 -1.146 . . . . 71.14 107.906 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -129.22 120.87 26.49 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.331 -1.304 . . . . 75.4 111.109 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.0 t70 76.84 -37.1 0.27 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.963 1.705 . . . . 74.43 111.628 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 599' ' ' ALA . 22.6 p -78.55 100.14 6.8 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 122.226 1.012 . . . . 61.13 110.207 174.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -117.24 -32.91 1.42 Allowed Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 113.872 -1.513 . . . . 72.44 110.661 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.7 p -77.07 -21.19 54.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.259 1.028 . . . . 72.34 109.643 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 596' ' ' SER . . . -137.23 137.12 38.74 Favored 'General case' 0 N--CA 1.393 -3.283 0 N-CA-C 104.763 -2.31 . . . . 63.12 104.763 174.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -68.15 -57.32 8.66 Favored Glycine 0 C--N 1.283 -2.373 0 N-CA-C 110.359 -1.096 . . . . 51.55 110.359 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 676' ' ' ILE . 7.0 mp -109.95 -27.65 9.13 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 109.019 -0.734 . . . . 72.51 109.019 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.5 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 78.09 52.65 5.2 Favored Glycine 0 N--CA 1.399 -3.788 0 N-CA-C 109.802 -1.319 . . . . 63.15 109.802 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.3 152.25 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.32 0 N-CA-C 106.209 -1.774 . . . . 62.3 106.209 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 30.6 m -114.13 133.12 55.78 Favored 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 106.944 -1.502 . . . . 75.03 106.944 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 621' ' ' VAL . 1.8 m -124.33 161.68 27.03 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.753 0 CA-C-N 116.099 -0.5 . . . . 75.41 111.663 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.37 154.37 37.65 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.33 -0.85 . . . . 62.23 109.239 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.17 126.27 8.6 Favored Glycine 0 C--N 1.288 -2.118 0 C-N-CA 118.874 -1.632 . . . . 64.43 112.605 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -95.48 130.52 42.28 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 106.649 -1.612 . . . . 53.34 106.649 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' B' ' 780' ' ' GLU . 38.6 ttp180 -134.44 134.23 41.37 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 116.586 -0.279 . . . . 75.24 111.459 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.426 -1.625 0 N-CA-C 107.24 -1.393 . . . . 75.54 107.24 174.648 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 108.879 -0.786 . . . . 55.13 108.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.3 p-10 -90.73 157.7 17.28 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 121.118 0.485 . . . . 75.53 110.334 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.8 mt -98.48 -7.28 28.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.081 -1.081 . . . . 74.44 108.081 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 109.01 -171.96 15.9 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.47 -1.241 . . . . 75.31 111.835 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.1 mm -97.42 131.04 45.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.249 -1.019 . . . . 71.2 108.249 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -122.42 146.04 47.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 110.083 -0.34 . . . . 62.01 110.083 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.4 t -65.45 128.19 27.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.77 -0.456 . . . . 72.52 109.77 172.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -98.95 -44.06 6.47 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 116.302 -0.408 . . . . 74.44 110.637 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 29.5 t -150.13 146.37 26.86 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 109.251 -0.648 . . . . 72.41 109.251 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.33 138.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.681 -0.859 . . . . 64.45 108.681 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -98.29 117.04 42.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.981 -0.748 . . . . 72.25 108.981 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -66.62 131.31 45.72 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.971 -0.559 . . . . 70.54 110.063 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.86 -23.98 22.6 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 110.923 -0.871 . . . . 62.23 110.923 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -69.27 144.09 40.36 Favored Glycine 0 N--CA 1.434 -1.489 0 C-N-CA 120.877 -0.677 . . . . 73.23 111.903 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.4 76.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.367 0.267 . . . . 73.11 111.657 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -65.8 -26.43 67.69 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.119 0.485 . . . . 75.14 111.034 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 36.3 t -76.16 -48.38 20.77 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.652 -0.869 . . . . 73.52 108.652 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.91 -52.13 39.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.76 -0.654 . . . . 40.22 111.338 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.43 -51.61 9.15 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.571 0.952 . . . . 74.43 113.571 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.14 -42.25 9.61 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.795 -0.717 . . . . 65.45 114.876 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 65.35 33.96 8.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.104 0.452 . . . . 73.32 111.611 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.82 160.07 18.18 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.886 0.374 . . . . 63.24 110.625 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.531 ' HE ' ' CG ' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -114.0 179.52 3.93 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.664 -0.815 . . . . 71.14 112.273 -176.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.2 t -81.13 141.66 14.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 108.435 -0.95 . . . . 74.0 108.435 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 67.9 31.76 5.52 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 122.985 1.374 . . . . 74.43 107.727 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.531 ' CG ' ' HE ' ' A' ' 637' ' ' ARG . 22.5 t0 -92.07 125.62 36.83 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.106 -1.812 . . . . 75.25 106.106 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.61 116.58 29.09 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.248 0.547 . . . . 63.02 111.182 -170.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.424 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.5 mp -74.1 109.8 7.88 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 123.933 0.893 . . . . 73.1 111.178 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.57 -56.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 124.013 0.925 . . . . 75.43 111.042 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.89 146.03 40.64 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 114.837 -1.074 . . . . 64.22 108.757 -176.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.419 HG11 HD23 ' A' ' 662' ' ' LEU . 8.5 p -130.67 136.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.811 -0.44 . . . . 72.42 109.811 -176.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.476 ' HB3' ' HG3' ' A' ' 669' ' ' GLU . 17.8 m120 62.3 16.19 8.26 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.181 0.992 . . . . 75.55 111.626 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.24 -5.24 67.93 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.462 -0.79 . . . . 74.33 111.51 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.92 127.38 47.42 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.043 0.449 . . . . 71.51 110.125 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.2 p -81.51 134.74 35.56 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.738 -0.664 . . . . 54.5 110.613 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.436 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.9 pt? -135.54 5.3 3.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 120.777 -0.369 . . . . 70.14 111.283 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.19 95.26 2.07 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 121.091 0.472 . . . . 55.01 110.178 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 149.28 38.87 0.04 OUTLIER Glycine 0 C--N 1.304 -1.225 0 CA-C-N 115.242 -0.89 . . . . 74.3 111.885 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.25 177.07 9.72 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.899 -0.778 . . . . 63.23 108.899 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.533 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -68.97 158.94 33.69 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.94 -0.304 . . . . 51.2 110.669 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.5 m120 -64.31 -40.82 96.7 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 116.291 -0.413 . . . . 75.41 111.19 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -66.37 -41.04 90.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 72.42 110.051 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 657' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 21.4 mm-40 -60.21 -46.0 91.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.378 -0.828 . . . . 72.12 109.12 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.579 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -59.47 -40.89 88.39 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 114.803 -1.09 . . . . 74.21 110.741 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 63.2 mtt -59.98 -44.44 94.47 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.465 -0.334 . . . . 74.51 111.606 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.54 -37.99 86.17 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 120.542 -0.463 . . . . 65.21 110.574 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 49.8 m -63.13 -40.06 96.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 109.602 -0.518 . . . . 61.01 109.602 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.703 ' O ' ' HG3' ' A' ' 666' ' ' MET . 93.7 mt -62.69 -57.47 10.9 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.006 -0.368 . . . . 64.13 110.006 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 659' ' ' MET . 64.2 mtp180 -59.14 -41.46 88.33 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.571 0.544 . . . . 73.41 110.874 -175.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -40.53 92.97 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.733 -0.667 . . . . 75.33 112.627 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 48.8 m -70.42 -30.89 67.87 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.715 -0.794 . . . . 75.43 110.065 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.703 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.7 mtp -67.22 -41.56 85.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.661 . . . . 74.22 109.214 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.2 t -77.64 -52.33 9.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.933 -1.03 . . . . 44.52 110.951 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.7 m -69.88 -59.31 3.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.083 0.468 . . . . 74.3 111.43 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 669' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' A' ' 646' ' ' ASN . 1.1 tm-20 -79.15 -41.57 28.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.15 -0.477 . . . . 73.25 109.954 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.5 -21.88 55.32 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 116.22 -0.445 . . . . 63.32 113.454 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -82.27 -27.47 32.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 74.12 109.968 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -72.15 -63.49 1.13 Allowed 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.061 -0.518 . . . . 73.21 111.186 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.59 -20.74 27.45 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.616 -0.434 . . . . 74.1 112.057 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.36 0.84 82.04 Favored Glycine 0 C--N 1.311 -0.837 0 C-N-CA 119.911 -1.138 . . . . 73.02 111.471 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 26.2 ptt? -141.57 155.71 45.75 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 109.989 -0.374 . . . . 74.21 109.989 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 601' ' ' LEU . 9.6 tt -117.63 140.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.263 0 CA-C-N 115.101 -0.954 . . . . 62.23 109.688 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -108.07 132.3 53.71 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.72 -0.474 . . . . 65.03 109.72 -178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.5 mm? -121.17 123.74 43.01 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 109.279 -0.638 . . . . 72.13 109.279 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 91.6 mt -108.14 115.18 48.47 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.418 -1.697 . . . . 74.22 106.418 174.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 642' ' ' LEU . 29.8 m -123.85 152.54 29.31 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.102 0 CA-C-N 115.21 -0.905 . . . . 61.2 111.291 -174.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 681' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.85 132.83 54.45 Favored 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 107.653 -1.24 . . . . 53.23 107.653 176.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.515 ' HG3' ' HD2' ' A' ' 637' ' ' ARG . 51.6 ttt180 . . . . . 0 C--N 1.256 -3.496 0 N-CA-C 107.862 -1.162 . . . . 74.54 107.862 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 780' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' A' ' 609' ' ' ARG . 35.3 mt-10 . . . . . 0 N--CA 1.433 -1.295 0 CA-C-O 122.049 0.928 . . . . 65.32 112.824 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -133.17 149.28 52.06 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.086 1.754 . . . . 71.33 107.637 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.41 HD21 ' HD2' ' A' ' 663' ' ' ARG . 1.0 OUTLIER -145.23 133.12 21.23 Favored 'General case' 0 N--CA 1.41 -2.447 0 N-CA-C 107.81 -1.181 . . . . 74.13 107.81 -178.285 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.24 128.71 56.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 108.9 -0.778 . . . . 75.35 108.9 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.644 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 18.3 pt . . . . . 0 N--CA 1.411 -2.397 0 CA-C-O 117.864 -1.065 . . . . 72.24 111.286 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.262 -1.014 . . . . 73.24 108.262 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 586' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 643' ' ' ILE . 10.9 m-30 -92.71 131.33 37.88 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.024 0.44 . . . . 61.22 111.549 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 94.4 mt -114.12 132.08 56.18 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.131 . . . . 73.31 107.948 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 68.9 m -113.13 121.43 44.53 Favored 'General case' 0 C--N 1.265 -3.089 0 CA-C-N 115.799 -0.637 . . . . 70.0 109.711 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.96 132.67 56.09 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.771 -0.825 . . . . 72.44 108.771 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -112.8 132.32 55.31 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.205 -0.598 . . . . 61.42 109.798 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.14 117.52 26.92 Favored Pre-proline 0 C--N 1.285 -2.239 0 N-CA-C 108.474 -0.936 . . . . 75.32 108.474 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 91.6 Cg_endo -80.78 147.21 17.03 Favored 'Trans proline' 0 N--CA 1.43 -2.228 0 C-N-CA 121.002 1.134 . . . . 74.33 111.456 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 65.93 5.46 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-O 122.701 1.238 . . . . 65.33 107.882 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -111.03 -72.79 0.7 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 112.991 -1.913 . . . . 72.32 109.434 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.84 77.28 3.21 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.668 -1.234 . . . . 73.45 107.668 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 47.7 p -153.44 110.23 3.41 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 113.349 -1.75 . . . . 62.45 108.657 -175.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -144.78 -35.22 0.07 OUTLIER Glycine 0 N--CA 1.417 -2.594 0 N-CA-C 110.648 -0.981 . . . . 70.04 110.648 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 39.8 p -86.66 -18.14 32.04 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.48 0.657 . . . . 71.4 109.991 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -150.99 177.83 9.77 Favored 'General case' 0 N--CA 1.406 -2.632 0 N-CA-C 106.887 -1.523 . . . . 60.44 106.887 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -90.7 -50.63 2.86 Favored Glycine 0 C--N 1.283 -2.4 0 N-CA-C 109.701 -1.359 . . . . 52.43 109.701 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.75 -39.26 4.05 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.591 -0.892 . . . . 75.43 108.591 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 93.57 48.73 2.69 Favored Glycine 1 N--CA 1.393 -4.21 0 N-CA-C 109.518 -1.433 . . . . 61.52 109.518 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.6 152.46 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.6 -1.259 . . . . 74.2 107.6 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 25.0 m -116.24 131.29 56.98 Favored 'General case' 0 N--CA 1.406 -2.675 0 N-CA-C 107.492 -1.299 . . . . 74.21 107.492 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.537 HG11 HD21 ' A' ' 642' ' ' LEU . 2.9 m -124.89 153.33 31.87 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.313 0 CA-C-O 121.413 0.625 . . . . 72.2 111.218 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -150.54 155.42 39.42 Favored 'General case' 0 C--N 1.268 -2.948 0 CA-C-N 115.218 -0.901 . . . . 50.11 108.597 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -102.54 128.25 9.48 Favored Glycine 0 C--N 1.281 -2.499 0 C-N-CA 118.694 -1.717 . . . . 74.12 110.905 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -94.07 123.15 37.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 106.364 -1.717 . . . . 73.15 106.364 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -116.05 142.3 46.98 Favored 'General case' 0 C--N 1.275 -2.672 0 N-CA-C 108.408 -0.96 . . . . 74.31 108.408 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--N 1.302 -1.467 0 N-CA-C 107.934 -1.135 . . . . 73.43 107.934 174.552 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.133 0 N-CA-C 108.04 -1.096 . . . . 73.11 108.04 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -82.57 148.13 28.22 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 120.46 -0.496 . . . . 64.05 110.384 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -95.99 -7.62 35.91 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.342 -1.355 . . . . 64.13 107.342 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 113.11 -178.42 18.67 Favored Glycine 0 C--O 1.244 0.768 0 CA-C-N 114.28 -1.327 . . . . 63.12 112.127 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.489 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.9 mm -92.09 126.15 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 107.865 -1.161 . . . . 73.15 107.865 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.2 m-85 -118.97 148.08 43.36 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.442 0.639 . . . . 63.01 111.465 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.48 ' HA ' HG12 ' A' ' 605' ' ' VAL . 67.3 t -72.57 118.05 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 107.968 -1.123 . . . . 41.31 107.968 172.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.586 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -93.76 -44.53 8.1 Favored 'General case' 0 C--N 1.273 -2.726 0 CA-C-N 115.622 -0.717 . . . . 64.13 111.103 -178.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 15.8 m -148.78 135.96 20.13 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 115.736 -0.665 . . . . 65.01 109.326 -174.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.04 135.7 27.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 107.62 -1.252 . . . . 62.23 107.62 172.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.0 mt -84.12 111.51 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 N-CA-C 107.134 -1.432 . . . . 72.21 107.134 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.16 108.7 3.71 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.087 -0.96 . . . . 74.15 110.689 -174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 130.78 -16.58 5.31 Favored Glycine 0 N--CA 1.431 -1.64 0 CA-C-N 115.22 -0.9 . . . . 60.25 111.369 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' GLY . . . . . 0.509 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -76.14 166.3 54.32 Favored Glycine 0 C--O 1.241 0.544 0 C-N-CA 120.623 -0.799 . . . . 72.23 111.947 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.56 78.64 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 122.647 -0.325 . . . . 55.33 111.666 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.47 -26.53 62.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.412 0.625 . . . . 42.43 109.797 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 30.5 t -69.32 -53.19 20.92 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.775 -1.102 . . . . 75.45 109.456 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -75.65 -51.29 13.13 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 114.896 1.443 . . . . 71.31 114.896 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.94 -52.55 7.33 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.313 0.857 . . . . 71.22 113.313 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -75.19 -40.87 33.04 Favored Glycine 0 CA--C 1.501 -0.842 0 CA-C-N 115.554 -0.748 . . . . 43.14 113.824 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 56.19 80.4 0.15 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.453 1.101 . . . . 60.33 112.01 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.13 162.23 28.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.816 0.817 . . . . 72.33 112.769 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 682' ' ' ARG . 6.2 ptm180 -110.64 -9.63 14.52 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 115.832 1.79 . . . . 64.55 115.832 -164.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 68.9 t 71.15 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 123.468 0.707 . . . . 64.12 112.691 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 61.83 32.39 18.08 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.668 -2.345 . . . . 74.11 104.668 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.4 t0 -98.66 130.12 45.16 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 111.98 -2.373 . . . . 70.23 109.28 -173.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -88.54 120.8 30.26 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 112.424 0.527 . . . . 71.54 112.424 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.537 HD21 HG11 ' A' ' 605' ' ' VAL . 7.5 mp -78.31 117.63 19.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.455 0.645 . . . . 75.22 110.571 177.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 651' ' ' LEU . 45.1 mm -95.33 -56.22 5.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 CA-C-N 115.275 -0.875 . . . . 63.25 109.895 -176.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -143.26 155.49 44.51 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 114.87 -1.059 . . . . 73.33 110.186 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.447 HG23 HD13 ' A' ' 678' ' ' LEU . 13.5 p -136.41 131.51 48.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 109.128 -0.693 . . . . 74.52 109.128 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.31 28.74 4.49 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.125 0.787 . . . . 73.33 113.125 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.75 -19.6 51.9 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 120.808 -0.711 . . . . 71.42 113.618 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -86.77 126.18 34.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.965 -0.754 . . . . 61.42 108.965 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.5 t -90.57 146.3 24.18 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 120.714 0.292 . . . . 73.32 110.294 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.41 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.5 pp -133.39 5.19 3.74 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 113.551 0.945 . . . . 62.44 113.551 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 643' ' ' ILE . 4.9 tt -73.17 101.11 3.24 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.41 -0.959 . . . . 72.4 108.41 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 153.07 -29.58 0.8 Allowed Glycine 0 C--N 1.292 -1.904 0 N-CA-C 110.368 -1.093 . . . . 73.41 110.368 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.4 OUTLIER -90.68 169.04 11.32 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 109.074 -0.713 . . . . 73.53 109.074 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.0 167.84 20.53 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 116.304 -0.407 . . . . 72.4 111.301 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -53.15 -42.1 65.77 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.358 0.663 . . . . 73.24 111.681 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 656' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 660' ' ' GLU . 21.6 mm-40 -63.89 -51.47 64.39 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.597 -0.729 . . . . 64.32 110.224 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.39 -39.94 95.86 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.167 -0.924 . . . . 72.13 109.701 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.56 88.24 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 115.046 -0.979 . . . . 75.11 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.1 mtt -62.65 -40.42 96.97 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 120.093 -0.643 . . . . 41.13 111.831 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.0 mt-10 -59.32 -45.49 91.19 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.032 0.444 . . . . 73.3 110.154 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 62.2 m -65.83 -48.36 71.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.274 -0.876 . . . . 64.12 109.555 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.463 HD23 HD23 ' B' ' 782' ' ' LEU . 39.7 tp -57.1 -50.64 72.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.297 -0.865 . . . . 63.13 111.721 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.467 ' HE ' HD13 ' B' ' 782' ' ' LEU . 92.8 mtt180 -55.03 -47.33 74.9 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.379 0.424 . . . . 74.41 110.38 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.54 -51.13 66.77 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.59 -0.732 . . . . 74.32 111.582 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 34.7 m -71.84 -35.34 69.85 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 120.514 -0.475 . . . . 64.22 111.675 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -74.94 -32.59 61.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.19 -0.604 . . . . 64.11 110.801 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 37.5 t -85.25 -53.0 5.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.115 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 95.5 m -66.05 -54.85 20.71 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.424 -0.353 . . . . 53.43 111.802 -176.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -90.48 -22.51 21.34 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.907 1.077 . . . . 53.34 113.907 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.86 -56.89 22.26 Favored Glycine 0 C--N 1.318 -0.438 0 C-N-CA 120.711 -0.757 . . . . 61.14 112.119 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.57 -21.68 60.28 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 122.685 -0.303 . . . . 74.45 111.81 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.83 -47.77 61.49 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.186 0.517 . . . . 61.12 110.534 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -77.38 -31.7 54.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.626 0.727 . . . . 72.04 109.969 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 102.65 -13.84 56.45 Favored Glycine 0 CA--C 1.502 -0.737 0 N-CA-C 110.308 -1.117 . . . . 71.51 110.308 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.493 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.9 ptp -148.24 154.58 40.26 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 109.183 -0.673 . . . . 45.11 109.183 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 676' ' ' ILE . . . . . . . . . . . . . 7.3 tt -119.43 140.76 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.56 0 CA-C-N 115.146 -0.934 . . . . 74.33 110.736 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.5 132.62 51.44 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.978 -0.555 . . . . 73.53 109.888 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 645' ' ' VAL . 1.5 mm? -121.8 124.06 43.26 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.972 -0.751 . . . . 74.32 108.972 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 98.2 mt -110.02 115.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 N-CA-C 108.082 -1.081 . . . . 71.33 108.082 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.31 165.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 CA-C-N 114.554 -1.203 . . . . 70.43 109.452 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 681' ' ' ALA . . . . . 0.436 ' HB2' HD11 ' A' ' 643' ' ' ILE . . . -118.66 139.08 52.09 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.612 0.72 . . . . 60.25 111.725 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.446 ' HA ' ' NH1' ' A' ' 637' ' ' ARG . 35.2 ttt180 . . . . . 0 N--CA 1.413 -2.292 0 N-CA-C 107.356 -1.35 . . . . 75.02 107.356 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.48 -1.713 0 CA-C-O 122.541 1.163 . . . . 70.35 107.883 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.586 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 25.8 mt-10 -134.08 141.56 47.21 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 112.637 -2.074 . . . . 71.13 108.27 -173.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.467 HD13 ' HE ' ' A' ' 663' ' ' ARG . 35.6 tp -125.02 126.47 45.47 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 115.992 -0.549 . . . . 74.12 109.684 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -100.7 126.34 54.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 N-CA-C 109.001 -0.74 . . . . 74.44 109.001 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 27.2 pt . . . . . 0 N--CA 1.414 -2.264 0 CA-C-O 118.676 -0.678 . . . . 62.42 110.184 178.631 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 19.9 mm-40 . . . . . 0 CA--C 1.492 -1.258 0 N-CA-C 110.028 -0.36 . . . . 63.04 110.028 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' PHE . . . . . 0.412 ' C ' HD12 ' A' ' 587' ' ' LEU . 89.4 m-85 -100.66 122.72 43.78 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.214 -0.903 . . . . 72.1 110.198 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 586' ' ' PHE . 5.9 mp -122.09 137.12 54.93 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 108.458 -0.941 . . . . 74.3 108.458 178.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 45.4 m -109.48 127.72 54.64 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 115.833 -0.621 . . . . 70.51 109.836 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -123.96 135.65 53.8 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.428 -0.805 . . . . 74.15 109.566 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.64 134.35 53.27 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.461 -0.941 . . . . 72.05 108.461 175.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.483 ' HB ' HG23 ' A' ' 676' ' ' ILE . 84.9 t -126.05 117.76 23.81 Favored Pre-proline 0 C--N 1.285 -2.205 0 CA-C-N 115.918 -0.583 . . . . 61.54 109.617 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 60.4 Cg_endo -75.82 148.1 31.8 Favored 'Trans proline' 0 N--CA 1.44 -1.648 0 C-N-CA 121.279 1.319 . . . . 74.44 110.461 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.38 82.87 5.47 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.715 0.769 . . . . 74.23 110.248 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -76.52 -160.85 0.16 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.997 -1.456 . . . . 74.43 111.317 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -78.12 74.9 4.66 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 121.825 0.821 . . . . 73.25 110.737 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.1 p -110.12 -77.75 0.59 Allowed 'General case' 0 N--CA 1.402 -2.868 0 CA-C-N 114.059 -1.428 . . . . 63.1 109.312 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 72.91 -63.56 1.59 Allowed Glycine 0 C--N 1.314 -0.654 0 C-N-CA 121.103 -0.57 . . . . 71.31 112.342 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.5 p -72.41 -28.53 63.03 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.459 0.647 . . . . 72.04 109.948 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.512 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -116.59 164.54 14.44 Favored 'General case' 1 N--CA 1.372 -4.349 0 N-CA-C 105.227 -2.138 . . . . 75.31 105.227 169.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -99.44 -62.52 0.83 Allowed Glycine 1 C--N 1.243 -4.62 0 N-CA-C 107.976 -2.05 . . . . 55.01 107.976 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.491 HD11 HD13 ' A' ' 676' ' ' ILE . 6.7 mp -103.47 -30.76 10.34 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.983 -1.108 . . . . 65.11 108.093 176.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.53 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 83.32 53.79 3.34 Favored Glycine 0 N--CA 1.406 -3.348 0 N-CA-C 109.487 -1.445 . . . . 74.21 109.487 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.0 t -136.17 153.25 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 106.649 -1.611 . . . . 64.32 106.649 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.9 m -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.826 -1.175 . . . . 51.24 107.826 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 642' ' ' LEU . 6.6 m -124.4 159.93 29.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 O-C-N 123.546 0.529 . . . . 61.33 111.16 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.516 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 62.6 pttt -150.08 155.14 39.33 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-N 115.458 -0.792 . . . . 51.21 109.104 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -103.71 125.69 8.52 Favored Glycine 0 C--N 1.282 -2.444 0 C-N-CA 118.762 -1.685 . . . . 70.41 111.505 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -94.75 130.13 41.4 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.017 -1.475 . . . . 72.23 107.017 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 17.3 ttp180 -133.75 129.86 37.25 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 120.963 0.411 . . . . 74.13 111.157 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.299 -1.591 0 CA-C-N 115.342 -0.845 . . . . 65.35 108.741 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 109.877 -0.416 . . . . 72.0 109.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.2 p-10 -79.07 153.11 30.44 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.772 -0.455 . . . . 75.31 109.772 176.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.53 -5.25 27.19 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.417 -0.957 . . . . 63.44 108.417 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.52 -166.39 15.08 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.633 -1.167 . . . . 71.43 112.164 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.428 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 44.9 mm -98.25 133.69 39.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.445 -0.946 . . . . 74.4 108.445 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 88.4 m-85 -127.59 152.84 47.13 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 122.51 0.324 . . . . 75.34 110.944 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.06 136.75 24.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.799 -0.637 . . . . 73.12 109.51 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.516 ' HD2' ' HB3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -116.57 -35.14 4.32 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.04 0.447 . . . . 73.31 111.682 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 48.5 m -148.75 138.92 22.34 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.555 -0.293 . . . . 62.23 110.425 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.28 128.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 108.147 -1.057 . . . . 53.35 108.147 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 68.6 mt -90.83 113.92 27.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 109.539 -0.541 . . . . 74.2 109.539 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -61.5 126.84 28.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.319 -0.855 . . . . 71.42 109.408 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.79 -22.66 25.52 Favored Glycine 0 C--N 1.303 -1.3 0 N-CA-C 111.038 -0.825 . . . . 74.23 111.038 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -65.25 153.89 50.47 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.555 -0.322 . . . . 72.3 112.705 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.946 0.403 . . . . 61.11 111.121 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.01 -26.8 63.28 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.572 0.701 . . . . 64.52 109.342 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.0 m -73.31 -51.82 16.15 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 114.414 -1.266 . . . . 53.04 110.005 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.48 -52.87 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.275 0.472 . . . . 54.21 112.275 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.52 -51.04 9.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.968 0.729 . . . . 74.12 112.968 -171.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.65 7.84 Favored Glycine 0 C--N 1.318 -0.43 0 C-N-CA 120.487 -0.863 . . . . 54.14 114.095 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 68.38 82.77 0.17 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.951 0.882 . . . . 74.12 110.781 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.51 163.98 12.08 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.09 -0.959 . . . . 64.14 111.411 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.547 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 9.5 ptt-85 -112.4 163.1 14.82 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.318 -1.31 . . . . 63.1 111.255 -175.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 47.8 t -81.32 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.122 -0.944 . . . . 71.31 109.157 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 67.1 t30 73.33 18.24 3.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.172 1.389 . . . . 73.41 112.092 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.845 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 11.9 t70 -81.1 153.14 27.47 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.383 -1.71 . . . . 74.13 106.383 173.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 641' ' ' GLN . . . . . 0.407 ' HB2' ' CE2' ' A' ' 620' ' ' PHE . 0.1 OUTLIER -105.47 115.92 31.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 118.525 0.602 . . . . 64.22 109.638 -174.425 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.49 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.7 mp -72.64 118.32 15.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.558 0.694 . . . . 61.43 111.668 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.407 HG13 ' CE2' ' A' ' 586' ' ' PHE . 45.7 mm -95.06 -62.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.092 -0.958 . . . . 71.35 111.744 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -132.97 140.73 47.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 115.675 -0.693 . . . . 64.11 110.958 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.51 HG21 ' CD2' ' A' ' 662' ' ' LEU . 32.8 t -125.08 119.05 54.74 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 N-CA-C 107.741 -1.207 . . . . 72.13 107.741 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 49.91 44.48 25.33 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.391 0.615 . . . . 43.14 111.351 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 73.24 0.09 50.75 Favored Glycine 0 CA--C 1.541 1.67 0 CA-C-N 115.192 -0.913 . . . . 73.42 114.479 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.87 127.1 41.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.362 0.581 . . . . 73.34 109.494 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 31.5 t -94.07 148.93 21.69 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.677 0.751 . . . . 72.24 111.932 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.59 -6.63 17.88 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.202 -0.908 . . . . 70.22 109.804 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.17 100.01 1.59 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.902 -0.59 . . . . 54.12 111.41 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 132.35 -14.38 5.09 Favored Glycine 0 C--N 1.3 -1.46 0 C-N-CA 120.344 -0.931 . . . . 53.43 112.197 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -110.22 149.22 30.45 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 120.901 -0.32 . . . . 64.51 110.143 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.456 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -59.91 164.36 3.92 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.909 0.756 . . . . 70.5 111.813 -177.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -54.35 -47.12 72.93 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.806 0.443 . . . . 64.04 112.047 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -73.07 -34.99 66.58 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.588 -0.445 . . . . 64.22 111.302 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' GLU . . . . . 0.456 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 41.0 mm-40 -61.53 -46.3 90.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.423 -0.955 . . . . 75.23 108.423 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.34 -47.34 81.83 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.225 -1.352 . . . . 75.45 110.622 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.506 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.3 mtt -60.47 -37.13 80.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.855 1.058 . . . . 45.04 113.855 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.42 -48.37 75.64 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.022 -0.733 . . . . 64.0 109.022 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 82.9 m -65.27 -35.15 80.14 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.316 -0.857 . . . . 75.24 109.714 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.51 ' CD2' HG21 ' A' ' 645' ' ' VAL . 2.6 tm? -63.92 -56.11 17.7 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 124.302 1.041 . . . . 70.11 109.743 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 659' ' ' MET . 80.8 mtp180 -56.77 -46.29 81.55 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.361 0.6 . . . . 72.33 110.382 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -63.99 -48.29 77.0 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.0 -1.0 . . . . 74.21 111.949 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 33.6 m -75.66 -32.88 60.36 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.79 -0.764 . . . . 65.13 111.581 -174.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 4.3 ppp? -72.52 -30.83 64.83 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.609 -0.437 . . . . 74.3 110.695 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.06 -55.9 3.27 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.558 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.2 m -62.75 -47.5 83.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.667 0.617 . . . . 74.43 112.667 -174.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 669' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 7.5 tp10 -87.83 -35.6 17.71 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.267 0.556 . . . . 72.22 109.577 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.25 -51.28 56.12 Favored Glycine 0 C--O 1.238 0.36 0 CA-C-N 116.02 -0.537 . . . . 55.42 113.141 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -77.67 -2.88 38.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.751 0.786 . . . . 61.13 110.118 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -87.0 -46.9 9.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.772 -0.649 . . . . 72.22 109.486 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 14.4 mmt180 -78.84 -27.99 44.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.728 -0.669 . . . . 61.54 110.193 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.63 -13.36 62.64 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.179 -1.168 . . . . 72.45 110.179 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.428 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 23.1 ptm -148.27 145.81 28.35 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 108.619 -0.882 . . . . 41.52 108.619 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.491 HD13 HD11 ' A' ' 601' ' ' LEU . 6.9 tt -111.25 143.44 21.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.317 0 CA-C-N 115.573 -0.74 . . . . 73.44 110.424 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -108.94 131.37 55.1 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.141 -0.481 . . . . 73.23 109.896 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -126.53 124.57 40.32 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.839 -0.43 . . . . 74.42 109.839 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.76 121.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 105.93 -1.878 . . . . 64.24 105.93 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.845 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.1 m -122.98 152.93 27.85 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.326 0 O-C-N 123.489 0.493 . . . . 64.35 109.758 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 681' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -127.7 126.15 41.35 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 120.959 0.409 . . . . 53.5 111.654 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.447 ' O ' ' HD2' ' A' ' 682' ' ' ARG . 6.3 ppt_? . . . . . 0 C--N 1.293 -1.849 0 N-CA-C 107.869 -1.16 . . . . 75.23 107.869 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 122.144 0.973 . . . . 64.13 108.722 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.438 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.4 mt-10 -115.81 136.39 53.09 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 113.293 -1.776 . . . . 75.41 107.871 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.402 ' CD2' HD12 ' A' ' 662' ' ' LEU . 63.9 tp -137.11 130.81 31.77 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 109.851 -0.425 . . . . 73.13 109.851 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 783' ' ' ILE . . . . . 0.406 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.4 mp -101.53 127.85 54.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.841 -0.429 . . . . 71.44 109.841 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.507 HG21 HD11 ' A' ' 662' ' ' LEU . 15.6 pt . . . . . 0 N--CA 1.412 -2.331 0 CA-C-O 118.232 -0.89 . . . . 64.23 109.771 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.48 122.46 39.41 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 116.383 -0.372 . . . . 73.4 111.263 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.38 131.7 54.83 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 116.007 -0.542 . . . . 73.12 109.723 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 47.8 m -104.37 121.5 43.51 Favored 'General case' 0 C--N 1.266 -3.034 0 CA-C-N 115.21 -0.905 . . . . 70.55 109.741 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -121.34 126.45 49.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.558 -0.904 . . . . 71.23 108.558 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.57 120.79 43.28 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 121.558 0.695 . . . . 54.21 109.599 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 676' ' ' ILE . 83.7 t -108.04 118.22 53.19 Favored Pre-proline 0 C--N 1.279 -2.469 0 CA-C-N 114.496 -1.229 . . . . 72.11 109.525 -172.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.4 Cg_endo -75.02 145.83 31.84 Favored 'Trans proline' 0 N--CA 1.441 -1.567 0 C-N-CA 121.586 1.524 . . . . 65.43 111.24 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.4 80.24 4.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.663 0.744 . . . . 71.11 109.5 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 596' ' ' SER . 86.1 m-20 -120.54 -65.61 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.546 -1.206 . . . . 62.1 110.358 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.47 15.37 3.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.941 0.877 . . . . 71.14 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.683 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 21.6 m -78.45 8.81 4.6 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.071 1.348 . . . . 71.13 112.671 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.38 -22.55 40.28 Favored Glycine 0 N--CA 1.421 -2.366 0 C-N-CA 120.026 -1.083 . . . . 54.12 111.913 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 23.7 t -92.89 -30.99 15.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.07 0.938 . . . . 62.44 109.763 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.683 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -164.18 155.03 15.41 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 103.907 -2.627 . . . . 72.53 103.907 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -65.06 -55.82 19.59 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 111.301 -0.719 . . . . 51.1 111.301 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 676' ' ' ILE . 12.0 mt -112.42 -32.65 6.42 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.734 -0.839 . . . . 52.43 108.734 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 91.73 41.05 5.14 Favored Glycine 0 N--CA 1.411 -3.005 0 N-CA-C 109.759 -1.336 . . . . 71.23 109.759 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.35 152.56 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 N-CA-C 106.912 -1.514 . . . . 72.13 106.912 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' SER . . . . . 0.445 ' C ' ' HB3' ' A' ' 622' ' ' LYS . 24.7 m -109.92 136.94 48.42 Favored 'General case' 0 C--N 1.267 -2.999 0 N-CA-C 106.265 -1.754 . . . . 54.41 106.265 171.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 621' ' ' VAL . 3.7 m -126.67 163.5 28.92 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-O 121.158 0.504 . . . . 75.35 111.129 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.611 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 60.0 pttt -149.62 152.29 35.18 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.039 -0.982 . . . . 74.54 109.603 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.8 134.85 12.3 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.908 -1.139 . . . . 62.33 111.233 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.94 139.63 40.19 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.908 -0.775 . . . . 63.23 108.908 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.7 ttt180 -133.18 139.54 47.08 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 108.153 -1.054 . . . . 75.34 108.153 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.438 -1.029 0 O-C-N 123.914 0.759 . . . . 70.1 110.406 179.097 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.534 0 N-CA-C 108.598 -0.889 . . . . 50.41 108.598 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.1 p-10 -78.75 145.09 34.62 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.479 -0.489 . . . . 74.14 111.082 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.49 -7.61 37.62 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.367 -0.975 . . . . 72.42 108.367 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.72 -177.64 23.64 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 114.423 -1.262 . . . . 55.21 112.834 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.414 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.3 mm -93.22 130.83 41.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 109.27 -0.641 . . . . 74.31 109.27 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.3 m-85 -123.83 152.61 42.1 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 122.655 0.382 . . . . 74.21 110.436 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 605' ' ' VAL . 68.5 t -66.19 127.08 26.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.798 0.808 . . . . 70.1 110.672 174.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.445 ' HB3' ' C ' ' A' ' 604' ' ' SER . 39.9 tttp -92.87 -59.13 2.13 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 114.263 -1.335 . . . . 64.2 110.608 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.0 m -150.24 146.46 26.83 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.664 -0.495 . . . . 74.11 109.664 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.85 130.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.618 -0.512 . . . . 75.14 109.618 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -91.45 113.28 26.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.055 -1.461 . . . . 74.14 107.055 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.08 81.28 5.36 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 122.07 0.938 . . . . 74.31 110.239 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 163.55 45.07 0.02 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 N-CA-C 108.61 -1.796 . . . . 55.12 108.61 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -148.78 159.32 27.99 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.242 -1.143 . . . . 74.54 110.242 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.48 72.52 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 112.173 0.435 . . . . 62.1 112.173 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.31 -26.51 63.81 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.566 0.698 . . . . 72.54 110.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 12.8 m -72.4 -52.86 14.14 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.74 -1.118 . . . . 52.15 109.756 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.67 -52.58 10.19 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.462 0.541 . . . . 64.04 112.462 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.89 -51.26 9.33 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.668 -0.413 . . . . 75.33 110.747 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -62.63 -42.63 99.67 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.284 -0.871 . . . . 54.43 114.087 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 68.0 32.37 5.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.737 0.415 . . . . 63.34 111.387 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.98 158.88 34.8 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.982 0.734 . . . . 74.42 112.982 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 640' ' ' ASP . 1.4 ppt_? -114.74 158.16 22.2 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.514 -1.221 . . . . 75.42 112.024 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.32 143.85 14.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.325 -0.398 . . . . 63.42 110.364 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 66.51 29.19 9.2 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.85 1.26 . . . . 64.52 109.804 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.781 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 9.0 t70 -82.0 146.25 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.728 -1.582 . . . . 71.15 106.728 173.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.89 112.52 24.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.861 -0.792 . . . . 74.3 108.861 -176.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.5 mp -73.29 112.82 9.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.61 -0.723 . . . . 72.43 110.747 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.405 HD12 HD12 ' A' ' 651' ' ' LEU . 35.0 mm -90.88 -54.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.27 -0.877 . . . . 54.11 111.541 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -142.29 152.14 42.7 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.295 0.48 . . . . 71.13 112.295 -173.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 650' ' ' LEU . 33.3 m -132.11 134.85 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.165 -0.47 . . . . 73.11 110.19 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 45.23 36.07 2.04 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.144 1.164 . . . . 72.24 114.144 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.02 37.87 Favored Glycine 0 C--N 1.313 -0.715 0 C-N-CA 119.872 -1.156 . . . . 61.43 114.976 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.52 131.76 37.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 118.336 1.068 . . . . 74.04 111.305 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.6 m -79.32 128.76 33.73 Favored 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 123.574 0.546 . . . . 75.13 109.749 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 645' ' ' VAL . 7.7 mp -101.22 -15.98 17.14 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.285 -0.416 . . . . 72.33 111.098 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 643' ' ' ILE . 5.3 tt -71.28 93.41 1.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.617 -1.253 . . . . 61.14 107.617 177.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.4 -32.39 0.64 Allowed Glycine 0 C--N 1.298 -1.573 0 N-CA-C 109.962 -1.255 . . . . 73.22 109.962 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -92.63 162.3 14.23 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.325 -0.62 . . . . 72.24 109.325 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.9 167.34 15.9 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 123.322 0.389 . . . . 54.12 110.848 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.649 ' O ' ' HG3' ' A' ' 659' ' ' MET . 92.1 m-20 -58.21 -47.95 81.87 Favored 'General case' 0 CA--C 1.492 -1.277 0 C-N-CA 121.3 -0.16 . . . . 52.21 110.89 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 660' ' ' GLU . 88.0 mt-30 -54.53 -44.77 73.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.244 0.545 . . . . 74.31 110.518 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -65.07 -48.07 75.07 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.972 -1.013 . . . . 72.22 109.98 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.22 86.03 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.214 -0.903 . . . . 70.22 110.979 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.649 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.9 mtp -64.75 -40.48 95.36 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.611 -0.268 . . . . 71.41 110.862 -177.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.5 mt-10 -68.46 -40.4 81.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.805 -0.758 . . . . 54.42 110.432 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.3 m -65.41 -40.02 92.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.24 0.543 . . . . 52.14 109.857 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 666' ' ' MET . 39.1 tp -59.75 -55.87 28.96 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.164 0.986 . . . . 72.4 111.633 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 659' ' ' MET . 16.4 ptm180 -68.69 -30.3 68.93 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.244 -0.582 . . . . 74.11 111.284 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -72.33 -42.42 65.39 Favored 'General case' 0 C--O 1.2 -1.547 0 CA-C-N 116.509 -0.314 . . . . 73.14 110.995 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 51.3 m -66.39 -34.01 76.99 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.66 -0.416 . . . . 73.15 111.392 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.453 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 19.6 ptp -77.16 -18.37 57.89 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.697 -0.401 . . . . 72.51 111.824 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.2 t -92.57 -55.96 3.2 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.221 0.534 . . . . 74.42 109.626 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 41.7 m -71.06 -48.33 53.32 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.698 -0.683 . . . . 63.3 111.906 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.31 -15.33 21.97 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.084 -0.647 . . . . 62.52 111.754 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -62.92 -71.19 0.87 Allowed Glycine 0 C--O 1.255 1.434 0 N-CA-C 111.075 -0.81 . . . . 43.41 111.075 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -79.04 79.55 5.43 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.28 -1.007 . . . . 65.25 108.28 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -175.5 -54.9 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.592 -1.64 . . . . 75.14 107.789 -176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -84.11 -41.34 17.21 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.392 -0.822 . . . . 73.13 109.678 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 112.91 -24.38 13.04 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.315 -1.114 . . . . 44.11 110.315 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.44 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.8 ptt? -146.17 153.71 40.96 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.804 -0.443 . . . . 65.3 109.804 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.63 HG21 HD21 ' A' ' 601' ' ' LEU . 3.6 tt -111.67 139.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 CA-C-N 115.072 -0.967 . . . . 75.34 109.73 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -102.39 130.13 49.07 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.655 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.7 124.03 42.47 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 116.053 -0.521 . . . . 63.3 109.653 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -105.03 119.52 54.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.404 -1.702 . . . . 73.13 106.404 171.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.781 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 23.4 m -122.78 162.71 22.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 108.717 -0.846 . . . . 64.31 108.717 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.03 125.97 54.31 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 121.242 0.544 . . . . 72.23 110.035 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 . . . . . 0 C--N 1.29 -1.992 0 CA-C-O 121.307 0.575 . . . . 74.31 110.078 -176.566 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 780' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.2 mt-10 . . . . . 0 N--CA 1.423 -1.798 0 N-CA-C 108.542 -0.91 . . . . 73.21 108.542 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.611 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 44.4 mt-10 -118.8 136.86 53.77 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.812 -0.631 . . . . 75.3 112.19 -175.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.7 tp -135.67 132.41 36.93 Favored 'General case' 0 N--CA 1.422 -1.843 0 CA-C-N 115.312 -0.858 . . . . 60.04 110.269 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 783' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 604' ' ' SER . 2.0 mp -96.29 121.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 108.098 -1.075 . . . . 74.04 108.098 170.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.453 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 8.9 pt . . . . . 0 N--CA 1.403 -2.8 0 CA-C-O 117.534 -1.222 . . . . 38.96 110.864 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.436 -1.152 0 N-CA-C 108.655 -0.869 . . . . 73.51 108.655 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.12 129.48 54.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.976 0.417 . . . . 73.41 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.66 131.16 55.48 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.958 -0.756 . . . . 62.22 108.958 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 37.7 m -110.5 122.07 46.84 Favored 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 115.243 -0.89 . . . . 73.52 109.063 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -121.27 134.36 55.16 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 108.912 -0.773 . . . . 74.54 108.912 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.71 113.94 21.41 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.759 -0.83 . . . . 64.05 108.759 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.441 HG23 HD21 ' A' ' 678' ' ' LEU . 98.7 t -110.31 117.18 51.89 Favored Pre-proline 0 C--N 1.27 -2.87 0 CA-C-N 114.453 -1.249 . . . . 73.5 110.871 -169.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 148.87 49.93 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.749 1.633 . . . . 65.31 110.35 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.82 78.98 0.87 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.848 0.832 . . . . 75.22 111.285 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -114.29 119.15 36.01 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.741 -1.118 . . . . 61.41 110.636 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 18.5 t70 63.98 24.09 13.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.861 1.315 . . . . 73.34 108.566 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 49.1 m -75.14 11.06 1.25 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.673 -1.603 . . . . 64.34 113.473 -175.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.28 -34.49 20.27 Favored Glycine 0 N--CA 1.419 -2.46 0 C-N-CA 119.799 -1.191 . . . . 61.13 110.874 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -84.09 -43.56 14.94 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.776 0.798 . . . . 74.43 109.548 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -149.09 132.87 16.96 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 106.561 -1.644 . . . . 71.41 106.561 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 596' ' ' SER . . . -61.98 -60.82 7.43 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 124.006 0.816 . . . . 73.55 111.988 -173.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.447 HD11 HG21 ' A' ' 676' ' ' ILE . 6.5 mp -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.163 -1.051 . . . . 74.31 108.163 176.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.495 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 79.71 48.74 6.48 Favored Glycine 0 N--CA 1.402 -3.579 0 CA-C-N 114.421 -1.263 . . . . 52.42 109.986 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.67 151.14 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 N-CA-C 106.625 -1.621 . . . . 73.34 106.625 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.7 m -113.43 134.02 54.88 Favored 'General case' 0 N--CA 1.406 -2.626 0 N-CA-C 107.177 -1.416 . . . . 70.51 107.177 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.463 HG11 ' CD2' ' A' ' 642' ' ' LEU . 2.9 m -124.55 160.75 28.92 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 CA-C-O 121.33 0.586 . . . . 74.44 111.805 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.458 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.5 153.06 36.63 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.835 -1.075 . . . . 74.42 109.452 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -124.85 139.38 11.68 Favored Glycine 0 C--N 1.275 -2.831 0 C-N-CA 119.894 -1.146 . . . . 63.34 111.792 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -123.58 140.33 53.11 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 120.969 0.414 . . . . 74.21 111.37 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.531 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 55.3 ttp180 -129.7 125.74 36.67 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.215 -0.661 . . . . 73.11 109.215 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 N--CA 1.421 -1.901 0 N-CA-C 108.043 -1.095 . . . . 72.43 108.043 178.799 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.038 0 CA-C-O 121.121 0.486 . . . . 70.25 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 6.4 p-10 -85.14 143.33 28.89 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.929 -0.767 . . . . 72.5 108.929 177.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 74.4 mt -90.97 -10.89 40.7 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.991 -0.744 . . . . 64.1 108.991 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 94.17 -167.42 27.75 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.023 -0.99 . . . . 52.54 111.925 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 42.9 mm -99.53 136.34 31.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.509 -0.923 . . . . 61.24 108.509 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 94.9 m-85 -128.32 147.25 50.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 123.309 0.381 . . . . 73.5 110.445 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.455 ' HA ' HG12 ' A' ' 605' ' ' VAL . 62.6 t -68.9 126.68 29.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 109.137 -0.69 . . . . 62.31 109.137 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -98.68 -42.78 7.08 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 120.786 0.327 . . . . 70.32 111.236 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 31.2 t -149.68 145.03 26.49 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.822 -0.436 . . . . 72.52 109.822 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.53 129.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 108.963 -0.754 . . . . 63.25 108.963 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.58 120.26 39.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 109.246 -0.65 . . . . 70.23 109.246 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -68.8 128.63 37.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.022 -0.535 . . . . 70.13 110.2 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 103.92 -8.19 49.86 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 110.881 -0.887 . . . . 75.34 110.881 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -74.67 146.59 35.71 Favored Glycine 0 N--CA 1.433 -1.544 0 N-CA-C 110.69 -0.964 . . . . 51.1 110.69 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.53 84.18 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.964 0.382 . . . . 63.54 111.395 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.26 70.63 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-O 121.398 0.618 . . . . 72.34 109.853 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 -52.16 18.88 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.808 -1.087 . . . . 65.32 109.603 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.73 -50.86 39.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.625 0.602 . . . . 72.41 112.625 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -79.35 -51.21 9.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 72.14 112.567 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -82.73 -41.96 8.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.585 -0.734 . . . . 74.32 114.788 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 64.34 79.08 0.27 Allowed 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.43 0.633 . . . . 74.44 111.153 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.57 -178.21 4.33 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.92 -0.582 . . . . 60.3 110.125 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 682' ' ' ARG . 17.4 ptp180 -129.28 168.35 16.35 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.631 -176.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.3 t -83.0 152.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.279 -1.008 . . . . 61.35 108.279 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 62.8 31.62 16.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 122.35 1.072 . . . . 71.44 109.26 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.657 ' OD2' ' HB ' ' A' ' 680' ' ' VAL . 5.5 t70 -97.41 144.14 27.44 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 106.87 -1.53 . . . . 72.14 106.87 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.19 115.43 28.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.921 0.391 . . . . 75.13 110.782 -169.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.463 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.3 mp -75.49 124.73 27.68 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.507 0.723 . . . . 74.45 112.365 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.2 mm -102.39 -54.72 6.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.47 -0.786 . . . . 72.42 111.83 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.471 ' HB3' HD12 ' A' ' 679' ' ' ILE . . . -141.04 157.23 45.6 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.923 -0.581 . . . . 75.33 111.487 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.07 131.02 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 115.63 -0.714 . . . . 64.43 110.317 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.529 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 81.9 m-20 52.67 22.76 2.37 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.963 1.468 . . . . 65.03 114.963 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.7 -12.49 56.48 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.749 -0.738 . . . . 74.31 112.911 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -101.74 126.39 48.59 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 109.51 -0.552 . . . . 73.14 109.51 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 52.8 p -84.88 130.07 34.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.003 0.43 . . . . 74.42 111.962 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 658' ' ' ALA . 1.7 pp -110.94 0.56 17.11 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 112.783 0.66 . . . . 72.31 112.783 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 56.1 tp -80.39 82.99 6.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.654 0.74 . . . . 71.44 109.816 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.1 0.02 OUTLIER Glycine 0 C--N 1.302 -1.334 0 CA-C-N 114.605 -1.18 . . . . 53.32 110.343 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.5 OUTLIER -161.21 179.77 8.09 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.425 -1.324 . . . . 74.43 107.425 -177.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.421 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -74.1 164.65 26.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.762 0.315 . . . . 34.41 111.006 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.531 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 10.2 m120 -62.19 -47.25 85.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.608 . . . . 75.44 110.734 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 10.4 pt20 -61.37 -40.26 93.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.863 -0.608 . . . . 75.54 110.915 178.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' GLU . . . . . 0.421 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 63.7 mm-40 -62.22 -45.2 94.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.142 0.496 . . . . 61.31 109.701 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 658' ' ' ALA . . . . . 0.468 ' HB1' HD13 ' A' ' 650' ' ' LEU . . . -59.69 -45.46 92.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.145 -0.934 . . . . 71.34 111.189 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.691 ' HB3' HD22 ' B' ' 782' ' ' LEU . 34.1 mtm -73.66 -28.33 61.71 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 119.569 -0.853 . . . . 75.51 112.51 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 20.0 mm-40 -65.15 -39.05 92.46 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.76 -0.83 . . . . 75.42 108.76 171.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.2 m -61.02 -42.16 97.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.359 -0.837 . . . . 64.44 109.285 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 -53.35 59.23 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.474 -0.33 . . . . 71.21 110.423 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 659' ' ' MET . 83.8 mtp180 -54.6 -44.96 73.5 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.835 0.709 . . . . 72.3 110.671 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.9 -50.34 56.79 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.689 -0.687 . . . . 70.22 111.22 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 19.3 m -68.39 -36.98 79.94 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 111.711 0.263 . . . . 74.25 111.711 -173.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.607 ' SD ' HG22 ' B' ' 784' ' ' ILE . 20.0 ptm -70.54 -23.67 62.67 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.76 -0.376 . . . . 73.31 110.917 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 45.2 t -92.7 -57.1 2.77 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 116.402 -0.363 . . . . 71.34 110.097 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 59.7 m -67.46 -53.07 32.09 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.879 -0.601 . . . . 71.32 111.522 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.85 -41.31 21.19 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.541 -0.464 . . . . 74.21 111.487 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -52.2 -51.16 43.13 Favored Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.406 0.441 . . . . 74.31 113.812 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -75.15 -7.91 55.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.441 0.534 . . . . 75.12 112.441 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.57 -46.19 6.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.443 0.64 . . . . 72.25 109.729 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -70.14 -31.01 68.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.418 -0.81 . . . . 71.2 110.347 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.0 -22.73 37.91 Favored Glycine 0 C--O 1.238 0.369 0 N-CA-C 110.933 -0.867 . . . . 71.44 110.933 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 20.9 ptp -145.66 154.87 42.58 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 107.818 -1.178 . . . . 71.01 107.818 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.529 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 9.5 tt -110.4 130.21 64.09 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-O 121.64 0.733 . . . . 52.32 110.623 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -96.78 128.64 43.93 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 114.838 -1.074 . . . . 61.3 108.913 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 678' ' ' LEU . 0.7 OUTLIER -130.19 126.14 36.69 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-O 121.506 0.67 . . . . 64.24 111.194 177.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 644' ' ' ALA . 88.1 mt -107.41 120.82 59.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-N 114.577 -1.192 . . . . 62.24 108.446 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.657 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.3 m -123.19 155.61 29.1 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.493 0 CA-C-N 115.126 -0.943 . . . . 73.42 110.234 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.739 0.781 . . . . 71.31 111.624 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 637' ' ' ARG . 8.2 tpp180 . . . . . 0 N--CA 1.41 -2.428 0 CA-C-N 114.711 -1.131 . . . . 73.24 109.908 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 108.591 -0.892 . . . . 63.11 108.591 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.8 mt-10 -141.08 131.92 25.89 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.785 0.834 . . . . 62.3 111.17 -177.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.691 HD22 ' HB3' ' A' ' 659' ' ' MET . 44.5 tp -134.78 133.4 39.81 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 115.566 -0.743 . . . . 71.2 110.248 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.63 128.58 51.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.395 -0.965 . . . . 65.03 108.395 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.607 HG22 ' SD ' ' A' ' 666' ' ' MET . 18.6 pt . . . . . 0 N--CA 1.418 -2.066 0 CA-C-N 116.867 -0.151 . . . . 63.31 110.954 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 109.922 -0.399 . . . . 63.44 109.922 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 586' ' ' PHE . . . . . 0.414 ' CE2' HG13 ' A' ' 643' ' ' ILE . 77.4 m-85 -97.09 137.65 35.82 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.475 0.917 . . . . 71.32 113.475 -174.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.66 132.89 41.24 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 115.033 -0.985 . . . . 73.32 108.946 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 62.8 m -109.47 122.49 47.51 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 115.802 -0.635 . . . . 72.44 109.507 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -117.59 146.83 43.36 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.825 -0.435 . . . . 62.51 109.825 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.79 132.98 53.9 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.119 0.485 . . . . 75.11 110.491 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.518 ' HB ' HG23 ' A' ' 676' ' ' ILE . 61.7 t -125.18 117.79 25.4 Favored Pre-proline 0 C--N 1.282 -2.329 0 CA-C-N 115.503 -0.771 . . . . 65.24 108.979 -173.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.08 146.58 25.68 Favored 'Trans proline' 0 N--CA 1.435 -1.936 0 N-CA-C 109.072 -1.165 . . . . 63.31 109.072 173.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.52 73.51 5.07 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.944 0.878 . . . . 70.43 110.716 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -86.21 -89.25 0.12 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 114.606 -1.179 . . . . 74.12 112.799 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -88.75 -10.47 48.17 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 109.062 -0.718 . . . . 75.53 109.062 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 40.3 m -71.85 93.24 1.3 Allowed 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 122.23 1.014 . . . . 72.3 108.951 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 598' ' ' SER . . . -155.64 -29.96 0.03 OUTLIER Glycine 0 C--N 1.282 -2.451 0 N-CA-C 108.242 -1.943 . . . . 51.15 108.242 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 598' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 597' ' ' GLY . 14.4 m -68.44 -26.39 65.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.393 1.092 . . . . 62.23 108.426 173.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -137.58 -177.56 4.85 Favored 'General case' 0 N--CA 1.4 -2.941 0 N-CA-C 104.77 -2.307 . . . . 64.04 104.77 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -77.61 -55.91 4.06 Favored Glycine 0 C--N 1.274 -2.875 0 N-CA-C 109.412 -1.475 . . . . 72.23 109.412 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 676' ' ' ILE . 21.5 mt -122.87 -43.63 2.23 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.975 -1.12 . . . . 75.11 107.975 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.612 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 110.14 47.84 0.8 Allowed Glycine 0 N--CA 1.399 -3.778 0 N-CA-C 109.253 -1.539 . . . . 51.32 109.253 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.9 t -138.47 152.5 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 107.547 -1.279 . . . . 61.33 107.547 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 21.5 m -109.97 132.85 53.78 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 621' ' ' VAL . 3.3 m -124.4 163.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.739 0.781 . . . . 73.0 111.283 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 781' ' ' GLU . 22.9 pttp -149.08 153.43 37.79 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 114.652 -1.158 . . . . 74.35 107.957 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.11 153.79 17.28 Favored Glycine 0 C--N 1.265 -3.415 0 C-N-CA 119.032 -1.556 . . . . 65.11 111.723 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -122.83 128.49 50.47 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.665 0.745 . . . . 64.12 109.939 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 45.5 ttp180 -129.43 125.79 37.31 Favored 'General case' 0 C--N 1.278 -2.504 0 N-CA-C 107.317 -1.364 . . . . 71.43 107.317 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.41 -2.441 0 N-CA-C 109.026 -0.731 . . . . 71.42 109.026 -179.303 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 108.59 -0.893 . . . . 64.13 108.59 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.538 ' CG ' ' HA ' ' A' ' 654' ' ' ALA . 3.8 m-20 -98.48 151.06 21.01 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.838 -1.171 . . . . 65.34 107.838 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.53 -23.29 20.96 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.3 -1.0 . . . . 74.22 108.3 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 117.57 -160.0 13.86 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 114.754 -1.112 . . . . 61.44 110.884 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.415 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.4 mm -110.34 136.62 45.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 108.609 -0.886 . . . . 72.22 108.609 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 96.0 m-85 -125.2 145.99 49.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.886 0.374 . . . . 61.42 111.661 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.531 ' HA ' HG12 ' A' ' 605' ' ' VAL . 87.5 t -68.87 139.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 172.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -120.68 -37.14 3.05 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 116.025 -0.534 . . . . 60.12 112.115 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.4 t -148.64 136.78 21.0 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.757 -0.831 . . . . 74.41 108.757 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.0 mp -100.26 127.5 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.612 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 73.9 mt -89.11 121.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 107.741 -1.207 . . . . 72.33 107.741 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' ASN . . . . . 0.489 ' O ' ' HE3' ' A' ' 632' ' ' LYS . 3.8 p-10 -58.2 -21.47 47.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.503 0.557 . . . . 71.42 112.503 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 627' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 625' ' ' ILE . . . -96.95 67.15 0.89 Allowed Glycine 0 N--CA 1.428 -1.837 0 CA-C-N 115.864 -0.607 . . . . 71.34 111.749 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -158.62 142.87 8.75 Favored Glycine 0 N--CA 1.417 -2.58 0 C-N-CA 120.199 -1.0 . . . . 62.31 112.078 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.29 -29.69 70.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.956 0.407 . . . . 64.12 110.605 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.05 90.68 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 121.555 0.693 . . . . 71.12 109.542 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 631' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 635' ' ' ARG . 14.8 m -67.3 -42.9 82.94 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 113.754 -1.566 . . . . 73.02 110.717 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 632' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 626' ' ' ASN . 34.0 mmtp -75.1 -51.56 13.18 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.052 -0.522 . . . . 71.15 112.386 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.96 -52.05 8.79 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.223 0.823 . . . . 63.32 113.223 -174.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.59 -16.72 54.5 Favored Glycine 0 C--O 1.243 0.711 0 C-N-CA 120.704 -0.76 . . . . 41.41 113.063 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 631' ' ' SER . 30.5 ttm180 66.79 -60.69 0.34 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.656 1.582 . . . . 72.03 113.716 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 95.1 mt 62.13 -173.63 0.14 Allowed 'General case' 0 C--O 1.252 1.202 0 C-N-CA 123.476 0.71 . . . . 72.32 110.399 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.46 HH11 ' CG ' ' A' ' 640' ' ' ASP . 0.6 OUTLIER -155.21 173.12 17.07 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.581 -0.525 . . . . 70.54 109.581 176.265 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 84.9 t -80.12 147.05 6.79 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 109.117 -0.697 . . . . 65.25 109.117 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 66.11 35.39 6.22 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.086 -1.45 . . . . 63.52 107.086 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.492 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.9 t0 -94.35 130.4 40.68 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.233 -1.348 . . . . 75.24 108.911 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 641' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 681' ' ' ALA . 21.8 tp60 -86.09 110.39 19.5 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 123.413 0.446 . . . . 64.33 111.996 -172.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.4 HD11 HG23 ' A' ' 621' ' ' VAL . 7.3 mp -76.09 120.22 21.09 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 109.162 -0.681 . . . . 62.32 109.162 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.414 HG13 ' CE2' ' A' ' 586' ' ' PHE . 36.5 mm -102.2 -59.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 115.503 -0.772 . . . . 72.33 111.098 -174.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.48 137.06 39.97 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.206 -0.906 . . . . 72.24 108.746 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.547 HG11 HD23 ' A' ' 662' ' ' LEU . 34.5 m -117.45 125.02 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.306 1.051 . . . . 74.21 112.124 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.441 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 42.5 t30 52.91 38.29 26.56 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 126.642 1.977 . . . . 62.14 113.135 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.68 -3.32 60.92 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.941 -1.027 . . . . 74.3 114.167 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.96 134.81 55.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 117.445 0.622 . . . . 61.53 111.299 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 649' ' ' SER . . . . . 0.487 ' C ' HD12 ' A' ' 650' ' ' LEU . 48.4 m -83.24 144.76 29.54 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.473 0.916 . . . . 52.33 113.473 -175.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.513 HD11 HG22 ' A' ' 645' ' ' VAL . 6.8 mp -124.92 19.63 8.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.722 -0.672 . . . . 73.54 110.604 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.38 96.69 5.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 112.546 0.573 . . . . 65.43 112.546 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.86 -30.9 3.16 Favored Glycine 0 N--CA 1.431 -1.681 0 C-N-CA 120.271 -0.966 . . . . 71.03 112.869 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.49 154.14 40.04 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 120.769 0.319 . . . . 74.12 111.163 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.538 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -66.2 161.93 21.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 61.44 111.988 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.85 -48.3 51.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 123.589 0.556 . . . . 71.22 112.283 -178.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.1 pt20 -68.45 -38.58 81.24 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.879 -0.6 . . . . 71.3 112.594 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 657' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 18.5 mm-40 -64.36 -39.43 93.87 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.264 -1.013 . . . . 75.45 108.264 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.58 79.73 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.222 -1.354 . . . . 73.31 110.098 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.8 mtt -60.48 -40.47 91.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.281 0.475 . . . . 75.35 112.281 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 23.4 mm-40 -62.96 -44.97 94.61 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.907 0.384 . . . . 71.05 110.467 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 85.1 m -66.43 -43.59 85.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.014 -0.736 . . . . 73.32 109.014 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.547 HD23 HG11 ' A' ' 645' ' ' VAL . 0.7 OUTLIER -59.09 -56.01 27.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.063 -0.971 . . . . 74.44 112.375 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.41 ' N ' HD13 ' A' ' 662' ' ' LEU . 82.1 mtp180 -58.98 -42.3 89.63 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.267 0.556 . . . . 74.53 110.786 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.98 -50.45 55.62 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.104 -0.953 . . . . 73.25 111.769 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 665' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 669' ' ' GLU . 25.2 m -77.09 -29.02 54.75 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.73 -0.606 . . . . 71.11 111.564 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -75.65 -27.91 58.56 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.778 -0.769 . . . . 62.1 110.599 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 23.3 t -93.03 -56.23 3.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.432 -0.349 . . . . 74.43 110.448 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.4 m -64.77 -56.09 15.73 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.472 -0.331 . . . . 64.14 111.362 -175.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 669' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 665' ' ' SER . 39.7 mm-40 -74.3 -23.22 59.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.192 0.52 . . . . 54.24 110.24 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.49 -55.3 26.24 Favored Glycine 0 CA--C 1.498 -0.996 0 N-CA-C 111.114 -0.794 . . . . 64.34 111.114 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.2 -26.93 62.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.806 0.336 . . . . 70.42 110.527 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -57.11 -56.06 26.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.487 0.715 . . . . 72.23 110.005 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' ARG . . . . . 0.455 HH12 ' HB2' ' A' ' 677' ' ' GLN . 71.0 mtp180 -76.4 -39.92 52.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.477 0.656 . . . . 73.04 109.815 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.97 43.26 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.511 -1.436 . . . . 71.51 109.511 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.6 ptm -144.86 153.37 41.52 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.497 -0.851 . . . . 62.32 108.821 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.661 HG21 HD21 ' A' ' 601' ' ' LEU . 10.9 tt -115.28 144.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 CA-C-N 115.421 -0.809 . . . . 54.1 111.009 -176.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 677' ' ' GLN . . . . . 0.455 ' HB2' HH12 ' A' ' 673' ' ' ARG . 35.1 tt0 -108.87 138.7 44.79 Favored 'General case' 0 C--O 1.196 -1.729 0 N-CA-C 109.35 -0.611 . . . . 65.3 109.35 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -128.47 123.07 32.7 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 121.626 -0.671 . . . . 62.22 109.49 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 679' ' ' ILE . 2.5 mp -106.08 115.92 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.69 0 N-CA-C 106.547 -1.649 . . . . 64.24 106.547 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.4 m -123.03 152.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.736 0 N-CA-C 109.015 -0.735 . . . . 65.03 109.015 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 681' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 641' ' ' GLN . . . -111.67 126.02 54.58 Favored 'General case' 0 C--N 1.271 -2.819 0 N-CA-C 106.649 -1.611 . . . . 64.21 106.649 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? . . . . . 0 N--CA 1.411 -2.381 0 C-N-CA 118.838 -1.145 . . . . 72.43 108.485 -176.257 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.432 -1.364 0 CA-C-O 121.96 0.886 . . . . 35.31 113.212 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 606' ' ' LYS . 25.6 mt-10 -128.46 147.3 50.66 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 125.437 1.495 . . . . 72.25 109.745 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 663' ' ' ARG . 0.2 OUTLIER -146.41 134.58 21.65 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.091 -1.448 . . . . 73.24 107.091 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 783' ' ' ILE . . . . . 0.404 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -109.29 125.43 66.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.787 -0.82 . . . . 55.22 108.787 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.488 ' CG2' HD11 ' A' ' 662' ' ' LEU . 12.2 pt . . . . . 0 N--CA 1.391 -3.406 0 N-CA-C 107.419 -1.326 . . . . 62.35 107.419 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.438 -1.053 0 CA-C-O 120.634 0.254 . . . . 55.35 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -95.8 121.73 37.84 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.97 -0.559 . . . . 71.2 109.723 175.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.4 mp -121.91 147.24 46.26 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.642 -0.503 . . . . 53.4 109.642 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 56.6 m -114.24 121.37 43.51 Favored 'General case' 0 N--CA 1.407 -2.578 0 N-CA-C 108.91 -0.774 . . . . 75.4 108.91 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.89 129.81 53.17 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.095 -0.706 . . . . 63.54 109.095 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -111.93 123.41 50.2 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.149 -1.056 . . . . 75.52 108.149 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 676' ' ' ILE . 79.2 t -122.24 116.97 29.54 Favored Pre-proline 0 C--N 1.279 -2.477 0 CA-C-N 115.257 -0.883 . . . . 75.4 110.109 -171.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 58.4 Cg_endo -77.38 142.4 21.1 Favored 'Trans proline' 0 N--CA 1.428 -2.346 0 C-N-CA 121.141 1.227 . . . . 75.42 109.632 174.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -78.38 78.5 4.85 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.472 0.653 . . . . 74.11 109.42 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.54 -92.92 0.12 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.962 -1.017 . . . . 75.53 110.858 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.6 93.05 4.21 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 107.534 -1.284 . . . . 73.13 107.534 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.27 41.24 0.32 Allowed 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 105.613 -1.995 . . . . 75.11 105.613 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.87 -28.76 33.77 Favored Glycine 0 C--N 1.29 -2.023 0 CA-C-N 113.46 -1.7 . . . . 55.4 111.274 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 46.3 p -71.69 -33.0 68.44 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.982 0.896 . . . . 71.14 110.268 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.405 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -150.62 119.94 6.85 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.779 -1.563 . . . . 60.03 106.779 175.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -44.4 -49.35 8.4 Favored Glycine 0 N--CA 1.478 1.497 0 O-C-N 124.653 1.221 . . . . 60.14 113.624 -173.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.596 HD13 ' HE3' ' A' ' 666' ' ' MET . 9.8 mp -122.8 -32.6 3.51 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.623 . . . . 65.14 109.824 171.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.405 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 92.62 41.21 4.81 Favored Glycine 0 N--CA 1.4 -3.723 0 CA-C-N 114.569 -1.196 . . . . 71.35 111.412 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.8 t -127.73 151.54 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 N-CA-C 106.772 -1.566 . . . . 64.53 106.772 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.2 m -116.73 133.52 55.91 Favored 'General case' 0 N--CA 1.406 -2.634 0 N-CA-C 107.719 -1.215 . . . . 71.2 107.719 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.502 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.3 m -125.88 161.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.653 0 CA-C-N 115.841 -0.618 . . . . 60.11 112.037 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -150.88 154.3 36.95 Favored 'General case' 0 C--N 1.278 -2.523 0 CA-C-N 115.119 -0.946 . . . . 62.43 108.868 174.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -103.87 129.66 9.95 Favored Glycine 0 C--N 1.292 -1.89 0 C-N-CA 118.583 -1.77 . . . . 52.13 111.634 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -95.6 141.69 28.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 71.11 108.894 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.501 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 59.2 ttp180 -134.12 134.91 42.78 Favored 'General case' 0 N--CA 1.417 -2.075 0 N-CA-C 107.823 -1.177 . . . . 72.44 107.823 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.284 -2.251 0 N-CA-C 108.464 -0.939 . . . . 65.45 108.464 175.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 108.473 -0.936 . . . . 62.12 108.473 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.4 p-10 -84.71 151.07 24.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.844 -0.428 . . . . 73.51 109.844 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 89.3 mt -99.56 -11.1 21.3 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.679 -0.86 . . . . 70.44 108.679 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 106.69 -165.2 13.38 Favored Glycine 0 C--N 1.308 -0.998 0 CA-C-N 115.087 -0.961 . . . . 74.3 112.676 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.427 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 47.9 mm -103.21 126.86 57.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 109.199 -0.667 . . . . 71.51 109.199 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -128.3 153.71 46.7 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.031 0.443 . . . . 74.4 110.616 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 605' ' ' VAL . 58.3 t -68.77 138.27 22.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 115.569 -0.741 . . . . 55.21 110.01 174.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -107.79 -45.58 3.98 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.823 -0.626 . . . . 74.54 110.288 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 43.0 p -149.07 144.92 26.98 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.249 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -99.41 129.64 49.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.004 -0.739 . . . . 70.41 109.004 176.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 74.7 mt -87.35 125.79 41.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 108.557 -0.905 . . . . 42.4 108.557 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.24 82.02 8.18 Favored 'General case' 0 C--N 1.292 -1.891 0 C-N-CA 120.341 -0.544 . . . . 62.43 109.614 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 167.08 33.32 0.02 OUTLIER Glycine 0 C--N 1.315 -0.607 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.509 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -137.53 156.21 23.44 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.847 -0.901 . . . . 72.21 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.37 95.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.941 0.37 . . . . 73.23 111.765 -176.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 601' ' ' LEU . . . -65.48 -36.27 83.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.508 0.671 . . . . 53.01 109.892 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 42.0 t -64.68 -48.32 75.18 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 114.058 -1.428 . . . . 54.12 110.173 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -74.38 -51.07 16.12 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.898 0.703 . . . . 72.34 112.898 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.84 -48.85 15.5 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 119.721 -0.792 . . . . 72.22 112.084 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -76.35 -42.84 21.96 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.837 -0.697 . . . . 51.41 113.74 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 60.32 82.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.326 0.584 . . . . 55.5 111.161 -176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.4 166.65 20.23 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.972 -0.558 . . . . 75.12 110.711 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.7 mpt_? -107.88 167.27 10.1 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.733 -1.21 . . . . 64.34 107.733 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.13 139.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 N-CA-C 107.911 -1.144 . . . . 72.23 107.911 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 66.71 26.21 9.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.491 1.116 . . . . 72.25 109.637 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.33 142.1 32.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.541 -1.209 . . . . 72.24 108.035 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -88.32 117.32 27.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.029 0.532 . . . . 73.44 111.77 -172.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.502 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.3 mp -81.29 131.41 35.29 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.574 -0.528 . . . . 65.12 109.574 176.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 651' ' ' LEU . 42.9 mm -113.51 -57.01 4.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 CA-C-O 121.513 0.673 . . . . 72.53 111.584 -173.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 679' ' ' ILE . . . -140.95 150.28 42.92 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.622 -0.717 . . . . 71.55 109.559 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.407 HG12 HD22 ' A' ' 650' ' ' LEU . 11.5 p -140.14 137.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 121.096 0.474 . . . . 63.21 111.937 -177.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.53 14.67 6.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.941 1.696 . . . . 54.4 111.189 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.2 -5.7 52.87 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.692 -0.766 . . . . 71.31 112.022 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -108.0 132.54 53.42 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.097 0.475 . . . . 61.32 110.531 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -90.28 138.77 31.26 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.339 -0.392 . . . . 55.14 110.008 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.4 pt? -129.25 10.44 5.79 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.196 0.522 . . . . 74.53 110.681 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.458 HD22 HG23 ' A' ' 643' ' ' ILE . 54.5 tp -73.64 93.1 2.02 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-N 115.435 -0.802 . . . . 70.15 109.687 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.32 -25.86 0.68 Allowed Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.496 -0.859 . . . . 64.32 112.312 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -84.66 167.28 16.34 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.661 -0.415 . . . . 74.54 110.123 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -67.94 164.47 19.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.852 -0.158 . . . . 62.13 110.757 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.665 ' O ' ' HG3' ' A' ' 659' ' ' MET . 94.6 m-20 -59.28 -49.02 79.44 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.006 0.743 . . . . 64.5 113.006 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -34.85 78.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.23 0.538 . . . . 74.33 110.483 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 24.0 mm-40 -66.35 -48.38 70.38 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.155 -0.929 . . . . 73.2 108.616 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.24 94.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.72 -1.127 . . . . 73.51 111.255 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 80.7 mtp -64.63 -38.04 89.63 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.65 -0.25 . . . . 73.24 110.973 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.07 -44.61 75.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 N-CA-C 108.946 -0.761 . . . . 74.12 108.946 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.7 m -58.26 -41.7 84.86 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.387 0.613 . . . . 74.25 109.956 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 666' ' ' MET . 43.6 tp -66.6 -56.79 9.11 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.856 -1.066 . . . . 73.45 112.674 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 659' ' ' MET . 15.4 ptm180 -63.99 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.048 0.451 . . . . 71.41 111.151 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -65.35 -50.88 63.92 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 115.792 -0.64 . . . . 75.23 111.255 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 35.8 p -75.59 -36.35 60.36 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.832 -0.747 . . . . 61.23 111.704 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.596 ' HE3' HD13 ' A' ' 601' ' ' LEU . 3.4 ppp? -70.59 -26.87 63.72 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.214 -0.594 . . . . 64.14 111.584 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 40.3 t -93.03 -55.99 3.14 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 116.422 -0.354 . . . . 72.12 110.768 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 96.7 m -66.42 -43.72 84.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.534 0.568 . . . . 70.13 112.534 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -100.34 -5.42 27.38 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.617 -0.433 . . . . 63.11 110.991 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.75 -68.33 1.7 Allowed Glycine 0 C--O 1.251 1.184 0 N-CA-C 109.522 -1.431 . . . . 72.1 109.522 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -81.73 70.19 8.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.712 1.244 . . . . 54.43 109.794 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -164.1 -39.29 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.609 -1.632 . . . . 64.24 108.481 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' ARG . . . . . 0.565 ' NE ' ' HA ' ' A' ' 673' ' ' ARG . 3.9 mmp_? -98.21 -9.97 24.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.709 -0.678 . . . . 63.34 111.068 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 84.73 -38.18 2.94 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.047 -0.597 . . . . 44.31 111.705 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.423 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.6 ptm -133.83 141.76 47.57 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 109.544 -0.539 . . . . 73.51 109.544 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.562 HD13 HD11 ' A' ' 601' ' ' LEU . 9.5 tt -111.34 138.34 40.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 115.145 -0.934 . . . . 54.11 110.459 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -103.85 138.12 40.88 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.622 -0.717 . . . . 71.03 110.658 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 601' ' ' LEU . 1.6 mm? -129.32 131.99 47.03 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.423 -0.584 . . . . 74.44 109.423 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 644' ' ' ALA . 90.7 mt -119.45 116.73 51.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 108.893 -0.78 . . . . 64.2 108.893 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.8 158.9 37.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 114.639 -1.164 . . . . 64.14 109.883 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.24 124.49 48.0 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.055 -0.72 . . . . 63.01 109.055 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.45 ' O ' ' HD2' ' A' ' 682' ' ' ARG . 2.7 ppt_? . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 109.073 -0.714 . . . . 71.25 109.073 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 CA--C 1.465 -2.293 0 N-CA-C 108.948 -0.76 . . . . 61.54 108.948 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -105.85 140.98 38.04 Favored 'General case' 0 C--N 1.263 -3.155 0 CA-C-N 113.748 -1.569 . . . . 72.12 109.939 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.486 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.3 tm? -138.83 130.63 27.74 Favored 'General case' 0 N--CA 1.405 -2.719 0 N-CA-C 108.135 -1.061 . . . . 64.12 108.135 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -101.2 132.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 N-CA-C 109.292 -0.633 . . . . 71.42 109.292 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' B' ' 782' ' ' LEU . 25.0 pt . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 118.555 -0.736 . . . . 54.1 109.041 176.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 11.1 pt-20 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 108.56 -0.904 . . . . 74.53 108.56 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -105.01 136.99 43.45 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -127.36 142.29 51.47 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.766 -0.828 . . . . 64.54 108.766 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 91.4 m -110.05 122.64 48.07 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.989 -0.55 . . . . 54.42 109.845 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.79 142.08 50.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.401 -0.592 . . . . 74.41 109.401 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -122.25 132.19 54.3 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.308 0.575 . . . . 72.12 109.891 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.438 ' HB ' HG23 ' A' ' 676' ' ' ILE . 71.5 t -121.15 117.57 30.59 Favored Pre-proline 0 C--N 1.285 -2.219 0 CA-C-N 115.175 -0.921 . . . . 64.5 109.205 -173.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.44 147.87 23.04 Favored 'Trans proline' 0 N--CA 1.434 -1.984 0 C-N-CA 121.278 1.319 . . . . 75.11 111.177 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' LEU . . . . . 0.414 ' HA ' ' OG ' ' A' ' 596' ' ' SER . 3.7 mm? -74.87 77.54 2.13 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.777 0.799 . . . . 72.44 110.124 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -108.68 -74.71 0.65 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.362 -1.29 . . . . 55.44 110.653 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.88 29.81 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.231 1.015 . . . . 73.13 110.75 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 593' ' ' LEU . 22.6 m -74.73 -5.01 40.86 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.252 -1.34 . . . . 73.51 112.387 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.27 -20.71 60.04 Favored Glycine 0 N--CA 1.419 -2.474 0 C-N-CA 120.063 -1.065 . . . . 74.33 110.505 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 50.8 m -76.12 -25.42 55.37 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.242 0.544 . . . . 63.4 110.257 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -165.97 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.909 -1.041 . . . . 63.24 109.638 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 171.55 -67.78 0.13 Allowed Glycine 0 C--N 1.293 -1.819 0 N-CA-C 107.737 -2.145 . . . . 74.5 107.737 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 630' ' ' ALA . 7.7 mp -109.37 -37.5 5.73 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.075 -1.083 . . . . 72.11 108.075 171.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 92.77 46.24 3.46 Favored Glycine 0 N--CA 1.405 -3.415 0 CA-C-N 114.365 -1.289 . . . . 44.05 110.136 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.7 t -133.95 152.5 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 106.735 -1.58 . . . . 74.32 106.735 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' SER . . . . . 0.73 ' HB3' ' HE3' ' A' ' 622' ' ' LYS . 18.8 m -121.03 130.64 53.87 Favored 'General case' 0 N--CA 1.397 -3.11 0 N-CA-C 108.148 -1.056 . . . . 74.41 108.148 173.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 621' ' ' VAL . 4.5 m -123.43 156.96 29.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 115.781 -0.645 . . . . 63.22 110.935 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -149.74 153.83 37.52 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.896 -0.779 . . . . 65.42 108.896 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.29 156.58 17.26 Favored Glycine 0 N--CA 1.421 -2.335 0 C-N-CA 119.386 -1.388 . . . . 52.33 111.502 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -123.13 147.13 47.13 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.57 -0.53 . . . . 54.1 109.57 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 2.2 tmm_? -127.21 125.71 41.52 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.093 -1.077 . . . . 73.31 108.093 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.318 -0.779 0 N-CA-C 112.176 0.436 . . . . 74.54 112.176 -178.36 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.733 0 N-CA-C 108.962 -0.755 . . . . 73.31 108.962 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.9 p-10 -91.36 144.96 25.05 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.896 -1.122 . . . . 50.53 108.582 174.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -88.82 -2.68 58.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.418 0.628 . . . . 62.33 110.163 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.54 -161.16 18.88 Favored Glycine 0 C--N 1.294 -1.783 0 CA-C-N 115.287 -0.869 . . . . 35.24 111.633 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.67 130.62 66.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.485 -0.932 . . . . 51.44 108.485 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -125.96 149.13 49.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.657 0.265 . . . . 62.51 111.198 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.528 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.7 t -68.48 132.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.059 -0.719 . . . . 73.4 109.059 171.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.73 ' HE3' ' HB3' ' A' ' 604' ' ' SER . 14.0 pttp -109.35 -38.56 5.45 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 108.985 -0.746 . . . . 72.43 108.985 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 30.2 p -149.74 143.92 25.73 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.724 -0.671 . . . . 71.31 110.461 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.5 139.76 21.88 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 N-CA-C 108.658 -0.867 . . . . 63.23 108.658 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 84.2 mt -95.64 113.25 29.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 108.653 -0.869 . . . . 73.21 108.653 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -63.62 118.41 8.19 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.439 -0.8 . . . . 73.52 111.533 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.07 -13.93 23.86 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.49 -0.777 . . . . 31.45 111.303 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -66.32 152.66 52.19 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 121.219 -0.515 . . . . 64.31 112.311 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.18 76.51 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.765 0.317 . . . . 54.43 110.912 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.91 -26.6 63.29 Favored 'General case' 0 CA--C 1.491 -1.299 0 CA-C-O 121.334 0.588 . . . . 74.34 110.198 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 48.1 t -74.13 -52.27 13.07 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 114.847 -1.07 . . . . 75.45 109.184 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.15 -51.32 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.002 0.741 . . . . 71.43 113.002 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.04 -51.03 9.54 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.029 -0.668 . . . . 52.43 110.486 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -71.53 -42.73 54.86 Favored Glycine 0 CA--C 1.517 0.17 0 CA-C-N 115.261 -0.881 . . . . 41.24 114.22 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 635' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 635' ' ' ARG . 1.3 mmp_? 68.87 33.39 3.61 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.955 0.502 . . . . 74.53 111.654 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 170.82 5.11 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.214 0.45 . . . . 72.15 112.214 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -135.25 175.56 9.48 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.359 0.874 . . . . 72.12 113.359 -173.528 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 77.4 t -79.06 149.33 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.62 -0.881 . . . . 74.5 108.62 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.64 11.33 6.43 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.383 1.087 . . . . 75.01 109.103 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' ' 637' ' ' ARG . 13.6 t0 -69.34 121.43 16.89 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.43 -1.259 . . . . 72.34 107.88 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -81.57 111.01 17.48 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 122.957 0.503 . . . . 74.13 111.354 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.476 HD21 HG11 ' A' ' 605' ' ' VAL . 8.0 mp -76.75 122.6 24.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.897 0.38 . . . . 62.01 110.406 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.36 -52.58 6.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.388 -0.824 . . . . 75.1 109.993 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.23 148.13 42.68 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.395 -0.366 . . . . 31.21 110.313 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 678' ' ' LEU . 14.9 p -134.01 126.81 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-O 121.624 0.726 . . . . 60.22 111.385 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 54.06 34.09 19.12 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 126.089 1.756 . . . . 71.31 110.282 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.62 58.4 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.628 -0.796 . . . . 72.22 113.77 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -94.72 144.86 25.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 117.715 0.758 . . . . 72.44 109.598 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 23.1 t -91.31 141.51 28.7 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.566 0.698 . . . . 73.01 111.767 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.67 -167.42 1.29 Allowed 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.142 -1.799 . . . . 35.31 106.142 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 6.2 tt 71.78 -46.23 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.556 0.742 . . . . 73.11 112.284 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -71.05 -7.32 62.32 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 110.961 -0.855 . . . . 52.35 110.961 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -122.47 152.1 40.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 107.097 -1.446 . . . . 73.44 107.097 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.85 166.07 7.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.416 0.525 . . . . 45.44 112.416 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.32 -47.61 47.04 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.81 0.844 . . . . 74.14 112.581 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -60.9 -47.64 85.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.331 -0.849 . . . . 72.04 109.203 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -66.37 -40.79 89.96 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.964 -1.471 . . . . 63.04 110.008 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.18 68.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.981 -1.009 . . . . 54.31 110.957 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.457 ' SD ' HD23 ' B' ' 782' ' ' LEU . 61.9 mtt -61.8 -37.17 83.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 112.279 0.474 . . . . 73.14 112.279 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.15 -47.76 81.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 109.428 -0.582 . . . . 75.01 109.428 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 89.4 m -64.21 -45.18 89.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.474 -0.785 . . . . 62.14 109.358 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.448 ' HA ' HG11 ' A' ' 645' ' ' VAL . 1.1 tm? -55.56 -55.33 33.24 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.437 -1.256 . . . . 74.54 111.459 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.48 ' HD2' HD21 ' B' ' 782' ' ' LEU . 81.8 mtp180 -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.861 0.362 . . . . 64.52 110.822 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -61.91 -51.59 67.53 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 115.412 -0.813 . . . . 63.43 110.247 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 59.7 m -78.22 -30.29 48.77 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.643 0.608 . . . . 72.44 112.643 -174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.403 ' HA ' HD12 ' A' ' 676' ' ' ILE . 3.9 ppp? -74.96 -30.24 61.15 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.537 -0.865 . . . . 65.0 110.637 -177.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 16.4 t -92.92 -54.47 3.73 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 116.25 -0.432 . . . . 53.3 110.315 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 75.1 m -67.95 -57.14 6.69 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.963 0.411 . . . . 71.53 111.224 -175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.05 -18.72 38.69 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.023 -0.535 . . . . 74.23 111.153 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.44 19.85 Favored Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 111.354 -0.698 . . . . 74.43 111.354 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.96 -12.54 61.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.094 0.473 . . . . 75.5 111.641 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -82.22 -50.39 9.04 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 116.41 -0.359 . . . . 74.32 110.178 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.45 -10.16 59.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.001 0.741 . . . . 70.05 113.001 -176.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.14 -29.83 5.41 Favored Glycine 0 C--O 1.243 0.713 0 C-N-CA 120.362 -0.923 . . . . 71.33 112.409 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.54 157.18 46.25 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.069 -0.715 . . . . 73.11 109.069 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.438 HG23 ' HB ' ' A' ' 591' ' ' VAL . 10.1 tt -116.98 138.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 115.473 -0.785 . . . . 74.04 110.144 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.23 137.7 42.59 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.914 -0.585 . . . . 61.53 110.085 -177.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.2 mm? -130.41 130.2 44.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.937 -0.477 . . . . 72.22 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -109.07 117.95 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 106.831 -1.544 . . . . 64.11 106.831 170.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.505 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.7 m -123.59 153.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 CA-C-N 115.568 -0.742 . . . . 72.02 109.403 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 681' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.5 138.97 47.34 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.276 -0.42 . . . . 54.23 110.224 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 682' ' ' ARG . . . . . 0.465 ' HB3' ' NH2' ' A' ' 637' ' ' ARG . 2.1 ppt_? . . . . . 0 C--N 1.306 -1.317 0 C-N-CA 120.078 -0.649 . . . . 65.01 109.45 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 CA--C 1.471 -2.065 0 N-CA-C 107.569 -1.271 . . . . 53.15 107.569 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 56.6 mt-10 -109.98 136.36 49.37 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.233 -1.349 . . . . 64.2 109.853 -176.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.48 HD21 ' HD2' ' A' ' 663' ' ' ARG . 0.1 OUTLIER -126.86 129.44 48.25 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 107.342 -1.355 . . . . 75.15 107.342 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.81 127.5 57.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 C-N-CA 120.444 -0.502 . . . . 63.34 109.683 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 662' ' ' LEU . 28.0 pt . . . . . 0 N--CA 1.411 -2.412 0 CA-C-N 115.488 -0.778 . . . . 64.31 110.228 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.436 -1.127 0 N-CA-C 109.646 -0.502 . . . . 74.25 109.646 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 586' ' ' PHE . . . . . 0.421 ' CE2' HG21 ' A' ' 643' ' ' ILE . 9.6 m-30 -91.84 127.89 37.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.614 -0.721 . . . . 71.22 110.656 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 98.0 mt -104.6 131.68 51.73 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.759 -0.83 . . . . 64.4 108.759 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 41.7 m -105.86 121.59 44.37 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 115.528 -0.76 . . . . 75.1 109.473 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 589' ' ' PHE . . . . . 0.421 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 58.7 m-85 -120.91 129.54 53.52 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.989 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -112.12 117.89 33.87 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.89 -0.782 . . . . 71.44 108.89 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 591' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 676' ' ' ILE . 78.7 t -113.29 117.47 45.36 Favored Pre-proline 0 C--N 1.284 -2.247 0 CA-C-N 115.58 -0.736 . . . . 70.44 109.74 -176.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 71.4 Cg_endo -73.79 148.33 41.05 Favored 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 121.501 1.467 . . . . 74.24 111.303 178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.95 76.87 2.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.641 0.734 . . . . 72.32 110.395 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -102.82 -75.1 0.61 Allowed 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.93 -1.032 . . . . 70.0 111.132 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.36 20.0 2.56 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.519 0.728 . . . . 73.03 109.25 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 16.1 m -71.6 1.45 6.61 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 124.976 1.311 . . . . 71.32 114.216 -171.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.75 -28.99 33.36 Favored Glycine 0 N--CA 1.425 -2.088 0 C-N-CA 119.399 -1.381 . . . . 62.13 110.489 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.8 m -87.29 -47.04 9.15 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.895 0.855 . . . . 75.05 109.784 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -151.3 141.06 21.84 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 104.388 -2.449 . . . . 55.13 104.388 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.84 -57.54 18.29 Favored Glycine 0 C--N 1.288 -2.131 0 O-C-N 123.939 0.775 . . . . 64.31 112.307 -171.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 676' ' ' ILE . 6.4 mp -109.43 -36.51 5.97 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 107.841 -1.17 . . . . 70.02 107.841 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 88.64 50.73 3.26 Favored Glycine 1 N--CA 1.38 -5.077 0 N-CA-C 108.991 -1.644 . . . . 73.11 108.991 -177.279 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.03 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.745 0 N-CA-C 106.696 -1.594 . . . . 64.3 106.696 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 604' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 622' ' ' LYS . 39.4 m -115.27 124.61 51.77 Favored 'General case' 0 N--CA 1.38 -3.974 0 N-CA-C 107.358 -1.349 . . . . 63.23 107.358 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 605' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 621' ' ' VAL . 5.1 m -121.99 165.15 18.11 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 CA-C-N 116.092 -0.504 . . . . 64.44 109.935 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.534 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 3.5 ptpt -149.5 151.29 33.68 Favored 'General case' 0 C--N 1.268 -2.973 0 CA-C-N 115.359 -0.837 . . . . 75.25 108.889 177.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 607' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -110.44 111.04 2.96 Favored Glycine 0 N--CA 1.399 -3.774 0 N-CA-C 109.558 -1.417 . . . . 54.4 109.558 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.15 135.39 35.58 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 119.747 -0.781 . . . . 54.44 109.415 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -113.23 146.21 39.7 Favored 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 108.407 -0.96 . . . . 74.53 108.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 107.122 -1.436 . . . . 62.24 107.122 172.374 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 106.885 -1.524 . . . . 65.21 106.885 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.57 155.62 23.18 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 120.005 -0.678 . . . . 64.02 110.855 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.48 -15.75 18.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.982 -1.118 . . . . 73.25 107.982 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 118.87 -149.82 18.12 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 114.715 -1.129 . . . . 75.13 112.066 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 619' ' ' ILE . . . . . 0.446 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.6 mm -128.1 126.26 65.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.441 -1.688 . . . . 65.34 106.441 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' PHE . . . . . 0.536 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 60.9 m-85 -128.87 147.19 50.8 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.836 0.35 . . . . 72.44 111.157 -173.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 621' ' ' VAL . . . . . 0.47 ' HA ' HG12 ' A' ' 605' ' ' VAL . 81.9 t -70.2 130.81 34.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 108.396 -0.965 . . . . 64.1 108.396 171.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -110.63 -31.1 7.34 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 117.83 -1.548 . . . . 74.53 110.714 176.658 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 23.4 p -149.46 137.99 20.87 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.524 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 624' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.9 mp -95.17 138.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 108.394 -0.965 . . . . 72.02 108.394 176.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 82.5 mt -88.71 110.77 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 N-CA-C 106.423 -1.695 . . . . 75.04 106.423 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -81.03 108.93 15.12 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 121.576 0.703 . . . . 75.14 111.285 -174.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.58 -27.44 2.48 Favored Glycine 0 N--CA 1.422 -2.249 0 CA-C-N 114.372 -1.286 . . . . 64.32 110.174 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -72.09 169.3 51.24 Favored Glycine 0 C--O 1.244 0.741 0 C-N-CA 121.379 -0.439 . . . . 43.2 112.575 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.97 74.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 111.895 0.332 . . . . 73.55 111.895 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -72.52 -26.65 61.84 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-O 121.532 0.682 . . . . 72.15 109.815 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.3 t -74.69 -52.02 12.73 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.614 -1.175 . . . . 70.3 109.416 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.54 -51.46 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 112.351 0.5 . . . . 71.4 112.351 -177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.61 -51.54 9.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.453 0.538 . . . . 75.04 112.453 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.25 -43.24 7.57 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.349 -0.929 . . . . 72.11 115.0 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.83 49.48 7.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.847 -1.538 . . . . 74.22 106.847 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 636' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 6.4 mp -67.24 154.53 41.07 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 115.908 -0.587 . . . . 73.24 110.63 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 637' ' ' ARG . . . . . 0.484 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 18.2 ptt180 -96.51 164.34 12.66 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 115.322 -0.854 . . . . 71.23 111.384 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.36 149.84 5.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 114.831 -1.077 . . . . 75.31 108.156 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 74.5 11.09 4.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.456 1.102 . . . . 55.31 111.845 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 640' ' ' ASP . . . . . 0.732 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 6.4 t70 -82.36 143.1 31.48 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 118.778 -1.169 . . . . 74.3 109.151 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -89.82 119.21 30.0 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.894 0.878 . . . . 73.54 111.583 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 642' ' ' LEU . . . . . 0.419 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -78.6 109.95 13.27 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.486 0.66 . . . . 73.4 110.843 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 643' ' ' ILE . . . . . 0.421 HG21 ' CE2' ' A' ' 586' ' ' PHE . 43.7 mm -89.41 -53.66 8.97 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 CA-C-N 115.288 -0.869 . . . . 75.35 110.997 -175.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 644' ' ' ALA . . . . . 0.497 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.96 153.6 46.95 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.206 -0.907 . . . . 73.31 110.63 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 645' ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' ' 646' ' ' ASN . 13.1 p -138.31 131.52 40.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 116.091 -0.504 . . . . 73.41 110.022 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 646' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 645' ' ' VAL . 18.5 m120 60.7 23.44 13.3 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.445 1.098 . . . . 73.32 110.859 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.26 -19.31 53.2 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 115.512 -0.767 . . . . 75.54 113.107 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -86.17 132.71 33.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 117.293 0.546 . . . . 72.45 109.986 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.5 m -90.66 142.59 27.59 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 120.775 0.321 . . . . 72.35 110.973 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 650' ' ' LEU . 1.1 pt? -132.64 7.75 4.14 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 116.367 -0.379 . . . . 74.13 111.489 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' LEU . . . . . 0.415 HD22 HD12 ' A' ' 643' ' ' ILE . 57.3 tp -68.4 99.13 0.91 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.117 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 148.29 -21.34 1.38 Allowed Glycine 0 C--N 1.307 -1.071 0 C-N-CA 120.584 -0.817 . . . . 61.14 112.306 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.17 159.85 15.46 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.343 -0.614 . . . . 61.33 109.343 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.5 168.25 2.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.013 0.525 . . . . 55.3 112.235 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' ASN . . . . . 0.7 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.6 m120 -56.28 -49.63 73.69 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 123.428 0.455 . . . . 62.2 111.093 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -64.97 -48.58 73.49 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.952 -0.758 . . . . 73.02 108.952 -174.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.42 -47.78 72.4 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.959 -1.473 . . . . 74.23 110.067 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.67 97.93 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.475 -0.784 . . . . 75.4 111.063 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' MET . . . . . 0.7 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 76.9 mtp -63.93 -37.76 88.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.548 -0.296 . . . . 74.2 110.715 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -68.87 -41.9 77.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.301 -0.56 . . . . 75.11 110.763 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 90.1 m -58.71 -43.52 90.14 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.552 0.691 . . . . 73.21 109.519 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.57 -56.37 16.46 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.916 -1.038 . . . . 74.14 112.775 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 659' ' ' MET . 14.9 ptm180 -62.91 -30.89 71.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.197 0.443 . . . . 73.33 112.197 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -76.77 -45.29 29.57 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 112.217 0.451 . . . . 71.14 112.217 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 23.4 m -66.6 -39.79 88.57 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.137 -0.625 . . . . 52.32 109.995 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 676' ' ' ILE . 4.0 ppp? -68.9 -23.01 64.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.915 -0.584 . . . . 72.43 111.315 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 38.8 t -92.05 -56.13 3.19 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 115.904 -0.589 . . . . 71.32 109.759 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 39.2 m -69.94 -51.31 33.84 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.666 -0.697 . . . . 75.21 112.013 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.85 -19.18 26.24 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 120.927 0.394 . . . . 72.41 111.016 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -64.87 -60.73 6.55 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 111.116 -0.794 . . . . 65.15 111.116 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -84.13 76.67 10.06 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.411 0.624 . . . . 62.53 110.745 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 -31.1 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.747 1.619 . . . . 65.12 109.012 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -81.42 -27.6 34.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.355 -0.839 . . . . 74.31 110.42 171.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 100.12 -37.96 3.33 Favored Glycine 0 CA--C 1.5 -0.881 0 N-CA-C 110.275 -1.13 . . . . 73.43 110.275 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 675' ' ' MET . . . . . 0.412 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.2 ptp -136.38 157.71 46.15 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.348 -0.982 . . . . 75.13 108.348 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 676' ' ' ILE . . . . . 0.567 HD13 HD11 ' A' ' 601' ' ' LEU . 8.3 tt -110.7 132.38 59.29 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 121.393 0.616 . . . . 63.13 110.13 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -102.01 124.72 48.11 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 115.423 -0.808 . . . . 72.44 110.567 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.5 mm? -115.1 128.07 56.0 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.638 -0.875 . . . . 74.42 108.638 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 679' ' ' ILE . . . . . 0.497 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -107.98 116.93 52.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 106.71 -1.589 . . . . 64.24 106.71 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 680' ' ' VAL . . . . . 0.732 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 27.6 m -121.99 173.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.324 0 N-CA-C 108.983 -0.747 . . . . 74.35 108.983 -177.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.72 127.59 23.7 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.556 0.693 . . . . 74.32 112.426 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.419 -1.987 0 N-CA-C 109.16 -0.681 . . . . 73.13 109.16 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 780' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.7 mt-10 . . . . . 0 C--O 1.188 -2.167 0 N-CA-C 107.725 -1.213 . . . . 73.1 107.725 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 781' ' ' GLU . . . . . 0.534 ' OE2' ' HE2' ' A' ' 606' ' ' LYS . 4.1 mp0 -104.05 143.23 33.18 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.428 0.632 . . . . 62.14 112.126 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 782' ' ' LEU . . . . . 0.503 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.3 tm? -142.54 137.13 29.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 106.738 -1.579 . . . . 70.35 106.738 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 783' ' ' ILE . . . . . 0.431 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.3 mp -111.2 132.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.733 -0.84 . . . . 72.31 108.733 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 784' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' B' ' 782' ' ' LEU . 16.1 pt . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 117.727 -1.13 . . . . 73.54 111.27 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.956 0 N-CA-C 111.418 -0.673 . . . . 50.15 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 32.7 m -135.01 115.35 13.42 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.893 -0.78 . . . . 65.34 108.893 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -137.19 -66.02 0.52 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.641 0.258 . . . . 75.01 110.37 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -115.67 50.23 0.8 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.046 -0.821 . . . . 55.34 111.046 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 7.4 t -94.5 161.06 14.37 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.974 -0.38 . . . . 63.34 109.974 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -120.85 135.3 55.21 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 109.309 -0.626 . . . . 72.23 109.309 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -110.13 147.12 34.27 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.113 -0.699 . . . . 65.25 109.113 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -102.33 122.77 44.91 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.928 -0.397 . . . . 63.34 109.928 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.51 HD12 HH22 ' A' ' 637' ' ' ARG . 92.0 mt -112.16 137.12 50.69 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 108.828 -0.804 . . . . 63.44 108.828 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.4 m -112.29 121.88 46.14 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 115.527 -0.76 . . . . 73.14 109.804 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 636' ' ' LEU . 39.3 m-85 -109.37 138.16 46.13 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.357 -0.608 . . . . 73.21 109.357 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.88 118.87 33.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.877 -0.786 . . . . 71.33 108.877 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.512 ' HB ' HG23 ' A' ' 676' ' ' ILE . 96.8 t -116.63 116.72 38.58 Favored Pre-proline 0 C--N 1.277 -2.58 0 CA-C-N 115.195 -0.911 . . . . 74.41 109.123 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.8 145.2 22.55 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.153 1.236 . . . . 51.12 110.364 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.34 69.44 6.79 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.155 0.979 . . . . 73.2 110.217 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.47 -68.13 0.9 Allowed 'General case' 0 CA--C 1.485 -1.557 0 CA-C-N 113.929 -1.487 . . . . 74.33 108.105 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.27 71.99 10.78 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 106.282 -1.747 . . . . 74.22 106.282 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 28.0 t -135.19 129.6 34.01 Favored 'General case' 1 N--CA 1.379 -4.012 0 CA-C-N 112.996 -1.911 . . . . 73.35 106.085 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 133.57 -30.91 2.93 Favored Glycine 1 C--N 1.239 -4.818 0 N-CA-C 107.338 -2.305 . . . . 71.44 107.338 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 13.2 m -63.27 -37.95 89.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.614 -1.624 . . . . 62.54 106.614 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -166.02 -177.2 4.09 Favored 'General case' 0 N--CA 1.404 -2.761 0 N-CA-C 102.194 -3.261 . . . . 54.44 102.194 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -72.84 -60.46 3.92 Favored Glycine 0 C--N 1.284 -2.329 0 N-CA-C 109.147 -1.581 . . . . 63.45 109.147 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.434 HD11 HD13 ' A' ' 676' ' ' ILE . 10.3 mp -118.83 -33.85 4.11 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 123.562 0.745 . . . . 44.3 109.525 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 96.31 41.27 3.74 Favored Glycine 0 N--CA 1.399 -3.785 0 CA-C-N 115.042 -0.981 . . . . 43.13 110.673 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.31 151.2 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 107.313 -1.366 . . . . 62.4 107.313 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.0 m -114.9 130.85 56.98 Favored 'General case' 0 N--CA 1.403 -2.784 0 N-CA-C 107.318 -1.364 . . . . 43.52 107.318 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 642' ' ' LEU . 4.2 m -124.93 159.23 31.85 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 116.082 -0.508 . . . . 43.05 110.894 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 24.2 pttm -149.82 153.1 36.23 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 109.135 -0.691 . . . . 62.54 109.135 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.63 145.38 16.84 Favored Glycine 0 C--N 1.293 -1.826 0 C-N-CA 119.532 -1.318 . . . . 61.12 111.301 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -123.18 154.72 38.33 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.816 -0.809 . . . . 51.42 108.816 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.8 mtt85 -122.21 142.79 50.07 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 109.955 -0.387 . . . . 72.42 109.955 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 43.0 t -71.86 125.19 26.55 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 106.688 -1.597 . . . . 64.21 106.688 172.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.77 -20.28 36.17 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-O 121.301 0.572 . . . . 74.43 109.789 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -82.22 -51.24 8.12 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.818 -0.808 . . . . 65.31 108.818 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.478 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 3.0 t-20 -77.52 -19.34 55.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.072 -0.513 . . . . 61.12 111.384 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 61.8 m80 63.01 33.58 14.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.823 0.821 . . . . 71.21 110.463 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -142.08 155.65 45.38 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 107.836 -1.172 . . . . 54.11 107.836 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.5 p-10 -69.9 149.24 48.04 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.415 0.626 . . . . 70.44 111.928 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -96.15 -8.38 33.36 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.125 -1.065 . . . . 64.3 108.125 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.78 -173.93 25.11 Favored Glycine 0 N--CA 1.429 -1.802 0 CA-C-N 114.605 -1.18 . . . . 73.5 112.029 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.95 131.8 40.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 109.519 -0.549 . . . . 62.33 109.519 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.09 151.8 48.14 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.346 -0.388 . . . . 75.35 110.231 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.489 ' HA ' HG12 ' A' ' 605' ' ' VAL . 48.2 t -71.41 138.41 21.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.253 -0.647 . . . . 72.11 109.253 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.484 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -114.49 -41.32 3.46 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.338 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 42.8 t -148.94 138.4 21.76 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.641 -0.503 . . . . 62.43 109.641 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.58 130.04 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 N-CA-C 108.32 -0.993 . . . . 63.44 108.32 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 80.5 mt -89.76 112.33 24.39 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 N-CA-C 107.336 -1.357 . . . . 54.24 107.336 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -81.32 78.68 8.07 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 122.285 1.04 . . . . 73.23 109.741 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 165.14 48.4 0.02 OUTLIER Glycine 0 N--CA 1.415 -2.704 0 N-CA-C 108.509 -1.837 . . . . 71.24 108.509 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 632' ' ' LYS . . . -159.92 147.99 15.87 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.274 -1.53 . . . . 70.44 109.274 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.73 61.37 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 114.299 1.222 . . . . 74.1 114.299 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -64.61 -30.77 71.79 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 121.301 0.572 . . . . 55.55 111.243 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.2 t -76.77 -48.22 19.33 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.228 -0.896 . . . . 72.33 108.827 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 628' ' ' GLY . 53.5 mtpt -64.21 -52.46 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.511 -0.768 . . . . 72.12 111.044 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -80.77 -52.35 7.62 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 112.463 0.542 . . . . 63.11 112.463 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -74.12 -42.41 36.36 Favored Glycine 0 CA--C 1.507 -0.433 0 CA-C-N 115.64 -0.709 . . . . 70.21 114.678 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 63.25 32.48 14.85 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.908 0.354 . . . . 65.11 111.641 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' LEU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 589' ' ' PHE 0.309 0.7 OUTLIER -68.86 171.2 8.29 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.227 1.195 . . . . 73.0 114.227 178.506 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.684 ' NH2' ' HB2' ' A' ' 682' ' ' ARG . 8.8 ptt-85 -114.12 172.17 7.16 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 113.348 0.87 . . . . 72.1 113.348 -169.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 79.1 t -83.67 141.5 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.488 -1.233 . . . . 74.32 109.878 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 67.4 t30 67.91 24.85 7.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.888 1.675 . . . . 74.4 111.508 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.836 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 12.4 t70 -80.33 154.11 27.98 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.443 -1.688 . . . . 54.15 106.443 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.07 115.72 31.15 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.264 -0.643 . . . . 72.33 109.264 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.6 mp -74.74 120.04 19.74 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.401 0.62 . . . . 43.31 112.513 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 44.9 mm -95.47 -56.13 5.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 115.297 -0.865 . . . . 70.33 111.331 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.34 155.09 43.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.871 -0.604 . . . . 74.34 111.826 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 678' ' ' LEU . 15.0 p -135.17 128.03 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 115.705 -0.68 . . . . 74.51 109.311 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 84.1 m-20 51.63 30.79 6.97 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.649 0.981 . . . . 63.43 113.649 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 90.63 -15.39 60.48 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.812 -0.709 . . . . 60.23 113.37 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.7 127.11 36.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.32 -0.992 . . . . 62.02 108.32 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 50.8 m -93.7 140.55 29.51 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 112.782 0.66 . . . . 72.32 112.782 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.531 HD12 ' HB1' ' A' ' 658' ' ' ALA . 0.9 OUTLIER -112.71 -3.71 14.2 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 116.011 -0.541 . . . . 72.11 111.246 175.01 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.05 93.91 0.22 Allowed 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.863 -0.792 . . . . 70.33 108.863 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 142.27 -25.91 2.32 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 115.723 -0.671 . . . . 64.4 112.113 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -98.65 152.68 19.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.232 -0.284 . . . . 71.14 110.232 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.52 167.22 9.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.211 0.449 . . . . 44.31 112.211 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.32 -47.28 81.95 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.283 0.845 . . . . 75.45 113.283 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -68.45 -30.63 69.54 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 121.035 -0.266 . . . . 74.23 110.639 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.33 -47.32 64.76 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.252 -1.018 . . . . 70.32 108.252 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.531 ' HB1' HD12 ' A' ' 650' ' ' LEU . . . -56.21 -43.72 78.83 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.578 -1.646 . . . . 74.24 111.066 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.524 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 63.0 mtt -60.71 -42.32 97.0 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.386 0.429 . . . . 73.33 111.769 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -61.51 -45.67 93.2 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.931 -0.308 . . . . 75.32 110.821 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.4 m -59.02 -43.5 91.6 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.143 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 666' ' ' MET . 97.7 mt -63.33 -56.51 15.83 Favored 'General case' 0 C--O 1.204 -1.325 0 CA-C-N 116.411 -0.359 . . . . 71.2 110.73 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 659' ' ' MET . 75.3 mtp180 -55.13 -39.93 69.96 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.457 0.646 . . . . 71.13 110.989 -175.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -74.66 -51.37 14.58 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.427 -0.806 . . . . 72.12 111.448 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 -31.9 51.79 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 113.255 0.835 . . . . 44.13 113.255 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 4.3 ppp? -68.29 -33.97 75.31 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.305 -0.558 . . . . 64.43 110.684 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.6 t -92.54 -56.59 2.97 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.961 -0.563 . . . . 72.33 110.375 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 71.9 m -65.84 -41.78 91.32 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.225 0.454 . . . . 73.31 112.225 -172.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 43.9 mt-10 -93.3 -18.63 22.22 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.618 -0.833 . . . . 62.14 110.849 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.6 -55.16 18.86 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.438 -0.665 . . . . 73.33 111.438 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -73.71 -13.0 60.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.468 0.651 . . . . 72.12 110.672 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -75.43 -54.62 6.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.354 -0.839 . . . . 74.24 109.383 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 38.8 mmt180 -70.0 -37.29 75.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 73.34 109.671 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.3 42.55 Favored Glycine 0 CA--C 1.501 -0.82 0 N-CA-C 110.012 -1.235 . . . . 60.02 110.012 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.0 ptm -145.66 144.92 30.7 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.667 -1.235 . . . . 72.23 107.667 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.512 HG23 ' HB ' ' A' ' 591' ' ' VAL . 9.4 tt -110.45 136.7 45.64 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-O 121.676 0.751 . . . . 64.14 110.293 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.05 129.54 51.7 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.884 -1.053 . . . . 72.4 109.996 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.2 mm? -124.7 125.25 43.78 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.082 -0.71 . . . . 73.23 109.082 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.65 117.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.614 -1.254 . . . . 74.01 107.614 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.836 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.3 m -122.94 152.82 27.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 115.925 -0.58 . . . . 52.2 109.707 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -113.63 134.31 54.8 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.872 0.844 . . . . 31.03 112.869 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.684 ' HB2' ' NH2' ' A' ' 637' ' ' ARG . 8.1 tpt180 -108.45 119.87 40.76 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.25 -1.341 . . . . 62.32 108.463 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -91.05 127.13 36.35 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.138 -1.06 . . . . 75.51 108.138 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.96 96.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 CA-C-O 122.524 1.154 . . . . 74.11 109.88 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 49.9 m -150.6 156.86 42.2 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 105.509 -2.034 . . . . 74.1 105.509 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -77.32 -32.87 55.54 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.145 -0.622 . . . . 75.23 110.393 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.72 86.4 4.0 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.687 0.756 . . . . 34.03 109.493 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -156.13 145.1 20.43 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.501 -1.227 . . . . 71.43 108.72 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--N 1.303 -1.417 0 N-CA-C 109.296 -0.631 . . . . 74.43 109.296 -178.787 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 121.777 0.799 . . . . 72.45 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.98 166.36 10.55 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.483 -0.78 . . . . 70.22 109.293 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . 63.51 82.53 0.18 Allowed 'General case' 0 C--N 1.317 -0.84 0 O-C-N 124.262 0.976 . . . . 23.43 112.908 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -124.51 134.28 53.06 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.781 -1.933 . . . . 74.31 105.781 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 7.4 mp 60.53 -165.93 0.2 Allowed 'General case' 0 C--O 1.253 1.244 0 N-CA-C 108.181 -1.044 . . . . 71.33 108.181 -168.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -157.01 111.51 2.73 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.866 -1.161 . . . . 74.24 107.866 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 152.73 153.37 6.29 Favored Glycine 0 N--CA 1.409 -3.15 0 N-CA-C 109.76 -1.336 . . . . 64.22 109.76 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 24.5 m -86.24 85.85 7.34 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.993 -0.743 . . . . 71.52 108.993 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -136.99 135.02 19.33 Favored Pre-proline 0 N--CA 1.432 -1.357 0 N-CA-C 108.35 -0.982 . . . . 64.2 108.35 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -93.7 9.01 2.3 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.439 2.093 . . . . 72.24 110.111 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 58.44 93.08 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.552 1.141 . . . . 74.32 110.573 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.1 104.12 3.5 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 122.343 1.068 . . . . 73.13 111.298 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.484 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.6 mt-10 -106.49 150.24 26.29 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 113.6 -1.637 . . . . 72.41 109.298 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.67 131.14 26.99 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 105.924 -1.88 . . . . 64.2 105.924 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 783' ' ' ILE . . . . . 0.402 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -108.26 126.41 64.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 120.326 -0.549 . . . . 74.23 109.895 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 29.0 pt . . . . . 0 N--CA 1.408 -2.544 0 CA-C-O 118.232 -0.889 . . . . 73.23 109.055 177.813 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 N-CA-C 110.803 -0.919 . . . . 55.32 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 52.5 p -140.74 -179.33 5.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.525 -0.546 . . . . 73.43 109.525 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 67.49 24.1 8.82 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 123.896 0.747 . . . . 73.15 110.429 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -77.48 44.5 2.23 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.749 -1.114 . . . . 74.34 112.885 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 20.6 m -82.61 -18.62 40.55 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 105.867 -1.901 . . . . 61.31 105.867 172.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 139.27 28.84 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 113.79 -1.55 . . . . 71.31 107.496 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.436 ' CD ' HD11 ' A' ' 684' ' ' ILE . 45.9 mt-10 -110.16 156.24 20.88 Favored 'General case' 0 CA--C 1.485 -1.532 0 N-CA-C 109.465 -0.569 . . . . 75.42 109.465 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-N 115.537 -0.756 . . . . 70.31 109.04 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 84.9 mt -123.37 146.24 48.12 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 108.286 -1.005 . . . . 71.12 108.286 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 26.6 m -111.15 121.89 46.46 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.515 -0.766 . . . . 71.12 110.323 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.74 137.76 47.99 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 115.72 -0.673 . . . . 73.3 109.717 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.442 ' HG2' ' OE1' ' A' ' 677' ' ' GLN . 35.5 mt-10 -109.92 128.02 55.11 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.476 -0.564 . . . . 62.33 109.476 -177.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.465 ' HB ' HG23 ' A' ' 676' ' ' ILE . 59.0 t -128.9 116.76 19.2 Favored Pre-proline 0 C--N 1.294 -1.806 0 N-CA-C 108.386 -0.968 . . . . 63.02 108.386 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.1 Cg_endo -83.62 148.79 12.67 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.533 1.489 . . . . 65.31 111.724 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.41 73.32 3.99 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.826 0.822 . . . . 75.45 111.133 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -119.88 -74.88 0.59 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.488 -1.233 . . . . 72.44 108.796 175.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.64 -3.52 59.05 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.834 1.302 . . . . 73.3 107.637 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.585 ' HB2' ' HB3' ' A' ' 629' ' ' ALA . 44.6 t -102.37 124.1 47.34 Favored 'General case' 0 N--CA 1.405 -2.702 0 N-CA-C 103.251 -2.87 . . . . 74.02 103.251 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.18 10.83 Favored Glycine 1 C--N 1.243 -4.605 0 N-CA-C 107.445 -2.262 . . . . 73.33 107.445 -172.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 41.0 m -69.63 -25.06 63.75 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.403 -0.899 . . . . 62.14 108.646 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -135.44 -67.28 0.54 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.319 -1.734 . . . . 65.31 106.319 168.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -157.0 -71.96 0.01 OUTLIER Glycine 0 C--N 1.277 -2.732 0 N-CA-C 106.253 -2.739 . . . . 72.4 106.253 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 676' ' ' ILE . 11.0 mp -125.44 -41.74 2.01 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 124.526 1.13 . . . . 62.53 108.39 170.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 104.42 48.7 1.1 Allowed Glycine 1 N--CA 1.391 -4.364 0 N-CA-C 108.867 -1.693 . . . . 75.24 108.867 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.3 t -136.94 153.49 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 N-CA-C 107.032 -1.47 . . . . 72.24 107.032 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 29.2 m -115.68 135.05 54.43 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 107.913 -1.143 . . . . 41.35 107.913 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.484 HG11 HD21 ' A' ' 642' ' ' LEU . 9.4 m -124.89 164.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.103 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.641 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.68 152.63 35.66 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.784 -0.644 . . . . 64.1 110.666 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -106.77 134.42 12.16 Favored Glycine 0 C--N 1.293 -1.837 0 C-N-CA 120.195 -1.002 . . . . 42.44 112.025 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.14 144.64 42.31 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.044 -0.724 . . . . 64.43 109.044 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.597 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 30.2 ttt180 -134.42 128.79 34.25 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 116.55 -0.295 . . . . 75.11 110.688 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' A' ' 613' ' ' ASN . 57.1 m -78.29 123.17 26.65 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.99 -0.744 . . . . 70.31 108.99 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' B' ' 774' ' ' TYR . 26.6 ttpp -80.39 -45.54 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.184 0.439 . . . . 73.44 112.184 -174.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.02 -43.41 67.96 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.91 -1.144 . . . . 55.41 107.91 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.403 ' HB3' ' CB ' ' A' ' 610' ' ' SER . 50.0 t30 -67.41 -26.97 66.69 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.56 -0.904 . . . . 75.1 108.56 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 68.1 16.46 9.47 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.905 1.682 . . . . 72.13 111.466 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -126.48 148.57 49.66 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.316 -0.994 . . . . 72.33 108.316 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.4 p30 -88.06 154.43 20.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.424 -0.91 . . . . 72.32 112.186 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.12 -5.91 46.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.344 -0.844 . . . . 65.04 110.871 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.19 -154.31 18.11 Favored Glycine 0 C--N 1.304 -1.229 0 C-N-CA 120.451 -0.88 . . . . 70.11 112.838 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.7 126.85 72.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.26 -0.645 . . . . 75.12 109.26 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -119.1 149.11 42.25 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 122.791 0.436 . . . . 73.43 110.165 -177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.466 ' HA ' HG12 ' A' ' 605' ' ' VAL . 64.0 t -70.39 139.79 19.53 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 N-CA-C 109.568 -0.531 . . . . 74.43 109.568 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.21 -42.73 3.14 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 122.042 -0.411 . . . . 63.03 111.178 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 37.6 t -149.12 138.56 21.66 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.608 -0.516 . . . . 62.01 109.608 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -97.91 128.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.439 -0.948 . . . . 71.44 108.439 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.03 113.48 25.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 109.511 -0.552 . . . . 43.41 109.511 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -70.07 123.8 22.5 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.605 -0.725 . . . . 55.52 109.3 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 126.56 -22.56 5.83 Favored Glycine 0 C--N 1.3 -1.466 0 N-CA-C 110.647 -0.981 . . . . 72.4 110.647 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -88.41 164.0 33.02 Favored Glycine 0 N--CA 1.436 -1.318 0 N-CA-C 110.192 -1.163 . . . . 75.45 110.192 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 596' ' ' SER . . . -68.16 -29.01 67.79 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 117.771 0.785 . . . . 64.12 110.819 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -66.07 -24.25 66.68 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 116.044 -0.526 . . . . 73.14 110.977 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -72.77 -52.33 15.46 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.527 -1.269 . . . . 70.54 109.839 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER -75.88 -49.94 16.45 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.003 1.483 . . . . 53.34 115.003 -179.629 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.91 -39.62 29.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.749 0.648 . . . . 63.33 112.749 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -66.98 -43.81 90.31 Favored Glycine 0 C--O 1.207 -1.582 0 C-N-CA 120.542 -0.837 . . . . 74.32 113.356 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 57.43 27.21 13.58 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 117.543 0.671 . . . . 74.13 111.478 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.09 161.57 3.02 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 113.9 1.074 . . . . 73.22 113.9 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.507 ' O ' ' HB ' ' A' ' 638' ' ' VAL . 19.0 ttm-85 -99.75 -42.65 6.75 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 117.025 2.232 . . . . 62.04 117.025 -166.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 638' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 54.8 t 94.43 129.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 126.583 1.953 . . . . 64.54 109.483 -169.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 71.82 13.17 6.15 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.191 1.797 . . . . 61.12 109.875 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.04 144.15 26.35 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.523 -0.762 . . . . 55.34 110.328 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -87.59 127.47 35.27 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.138 -0.937 . . . . 54.5 112.684 -170.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.484 HD21 HG11 ' A' ' 605' ' ' VAL . 6.8 mp -81.61 118.42 22.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.325 0.583 . . . . 72.14 110.403 178.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.9 mm -100.36 -57.37 4.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.404 -0.816 . . . . 75.15 111.406 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.45 148.97 48.0 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.371 -0.377 . . . . 60.24 110.402 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 678' ' ' LEU . 9.2 p -135.87 131.7 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 CA-C-O 120.875 0.369 . . . . 65.33 110.289 -176.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.48 14.3 7.88 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.263 1.025 . . . . 62.3 111.857 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.45 -1.21 64.05 Favored Glycine 0 N--CA 1.437 -1.281 0 C-N-CA 120.894 -0.669 . . . . 73.32 111.581 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -103.43 134.7 46.36 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.108 -0.701 . . . . 64.11 109.108 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 60.2 m -90.92 141.63 28.63 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.978 -0.555 . . . . 75.03 111.262 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.2 pt? -133.98 7.61 3.73 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 111.974 0.361 . . . . 64.15 111.974 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.63 101.32 2.02 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.337 -1.357 . . . . 71.03 107.337 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.37 -25.97 0.6 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.395 -0.82 . . . . 61.15 111.433 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.7 OUTLIER -94.53 171.06 9.03 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.231 -0.285 . . . . 71.02 110.231 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.35 171.82 14.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.496 0.554 . . . . 74.41 112.496 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.412 HD21 ' HB2' ' A' ' 616' ' ' ASP . 15.0 m120 -50.01 -47.8 52.84 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 123.891 0.876 . . . . 72.24 110.497 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.09 -45.28 89.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.271 . . . . 74.2 111.163 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.1 -39.32 75.58 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.287 -0.87 . . . . 71.43 110.004 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -58.75 -46.21 87.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.008 -0.996 . . . . 71.13 111.431 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.09 -35.19 80.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.486 -0.485 . . . . 71.03 112.173 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.96 -44.22 96.64 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.439 -0.578 . . . . 62.44 109.439 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 77.1 m -63.94 -48.38 76.77 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.69 -0.686 . . . . 65.4 110.149 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 658' ' ' ALA . 96.0 mt -56.03 -55.98 26.32 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.678 -0.237 . . . . 63.51 111.595 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -61.82 -33.61 74.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.095 0.474 . . . . 74.45 111.486 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.36 -45.86 30.09 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.054 -0.521 . . . . 75.31 111.473 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.0 m -70.48 -35.47 73.28 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 120.596 -0.441 . . . . 72.02 110.459 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.622 ' HE3' HD13 ' A' ' 601' ' ' LEU . 23.9 ptm -70.8 -28.43 64.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.913 0.387 . . . . 72.3 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 48.3 t -87.87 -54.38 4.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.085 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 88.1 m -71.42 -54.78 9.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.033 -0.531 . . . . 72.2 111.922 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 29.7 mm-40 -81.53 -29.31 33.59 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.52 -0.309 . . . . 55.34 110.886 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.35 -59.31 11.03 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 116.378 -0.374 . . . . 71.3 112.609 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -66.52 -23.06 66.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.384 0.611 . . . . 75.01 110.225 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' A' ' 672' ' ' LYS . 0.4 OUTLIER -72.56 -49.08 34.96 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.249 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 673' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 29.2 mmt180 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.748 0.308 . . . . 63.01 110.734 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.99 -10.74 67.13 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.284 -1.126 . . . . 43.23 110.284 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.508 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.1 ptm -148.66 151.23 34.59 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.446 0.698 . . . . 43.03 109.257 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.737 HD13 HD11 ' A' ' 601' ' ' LEU . 13.8 tt -111.85 134.05 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.086 0 N-CA-C 107.972 -1.122 . . . . 63.43 107.972 177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 677' ' ' GLN . . . . . 0.442 ' OE1' ' HG2' ' A' ' 590' ' ' GLU . 5.4 tp-100 -106.19 130.41 54.07 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.239 -1.393 . . . . 54.04 107.239 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.3 mm? -124.44 125.44 44.28 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.817 -0.753 . . . . 72.41 111.05 -177.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -107.44 121.88 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.128 -1.434 . . . . 75.1 107.128 172.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.37 161.15 25.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 N-CA-C 109.56 -0.533 . . . . 74.01 109.56 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 681' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -110.4 124.54 51.92 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.716 -1.216 . . . . 61.42 107.716 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.84 136.15 54.59 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.594 -0.73 . . . . 75.24 111.033 -174.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -71.29 143.89 50.17 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.354 0.597 . . . . 74.53 112.187 -173.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' ILE . . . . . 0.436 HD11 ' CD ' ' A' ' 585' ' ' GLU . 43.2 mm -88.51 74.78 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 CA-C-O 122.636 1.207 . . . . 72.13 108.881 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 50.0 m -162.99 130.67 3.67 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 113.018 -1.901 . . . . 61.44 106.315 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.89 96.6 9.38 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 107.055 -1.461 . . . . 72.32 107.055 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 10.1 p -96.81 132.58 42.39 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.897 -1.047 . . . . 75.55 113.137 -171.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.64 98.12 10.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.835 -1.542 . . . . 73.12 106.835 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.257 1.482 0 O-C-N 123.915 0.76 . . . . 74.11 111.781 -175.179 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 C--O 1.244 0.788 0 N-CA-C 109.389 -0.597 . . . . 72.55 109.389 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.49 85.72 2.28 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.907 0.86 . . . . 75.52 112.655 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -90.11 -50.57 5.93 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.787 -1.19 . . . . 44.14 107.787 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 64.94 124.36 0.02 OUTLIER 'General case' 0 C--O 1.249 1.045 0 C-N-CA 125.463 1.505 . . . . 75.42 113.121 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.3 mp 68.24 178.09 0.25 Allowed 'General case' 0 C--O 1.245 0.849 0 CA-C-N 114.795 -1.093 . . . . 73.21 111.672 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 774' ' ' TYR . . . . . 0.558 ' O ' ' HE2' ' A' ' 611' ' ' LYS . 84.6 t80 -97.53 -45.68 6.33 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.741 -1.577 . . . . 74.32 106.741 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 172.96 162.29 24.79 Favored Glycine 0 N--CA 1.406 -3.309 0 N-CA-C 110.144 -1.182 . . . . 71.11 110.144 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 23.4 p -97.76 85.76 3.63 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-O 121.398 0.618 . . . . 24.01 112.306 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 150.48 78.38 Favored Pre-proline 0 CA--C 1.502 -0.88 0 CA-C-N 115.299 -0.864 . . . . 64.44 108.912 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.88 -31.17 67.77 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 121.522 1.482 . . . . 63.41 109.042 172.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 779' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' B' ' 779' ' ' GLN . 6.4 tp60 50.63 84.8 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.81 1.644 . . . . 73.3 111.628 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -107.66 123.73 48.94 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 113.187 0.81 . . . . 62.12 113.187 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.641 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 40.6 mt-10 -116.22 131.43 56.95 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 113.426 -1.716 . . . . 61.31 107.862 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.1 tp -129.61 129.08 43.91 Favored 'General case' 0 N--CA 1.404 -2.772 0 CA-C-N 115.811 -0.631 . . . . 72.24 110.273 -177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.63 122.5 47.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 109.308 -0.627 . . . . 73.11 109.308 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.481 HG22 ' SD ' ' A' ' 666' ' ' MET . 26.4 pt . . . . . 0 N--CA 1.401 -2.889 0 N-CA-C 108.136 -1.061 . . . . 45.41 108.136 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.869 0 N-CA-C 111.176 -0.77 . . . . 52.24 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.1 m 66.09 -179.82 0.2 Allowed 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.814 0.846 . . . . 74.42 111.237 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.35 127.22 31.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 74.31 110.675 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -104.64 29.75 11.3 Favored Glycine 0 N--CA 1.436 -1.336 0 CA-C-N 115.802 -0.635 . . . . 72.54 112.324 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -92.34 -59.26 2.13 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.899 -1.519 . . . . 63.53 106.899 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -122.28 139.45 53.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.552 -1.647 . . . . 71.44 106.552 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 16.9 pt-20 -110.31 144.65 38.71 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.223 -0.991 . . . . 74.35 111.106 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' PHE . . . . . 0.512 ' CE2' HG21 ' A' ' 643' ' ' ILE . 4.1 m-30 -91.8 128.49 37.65 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.459 -0.792 . . . . 73.43 109.58 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.427 HD12 HH22 ' A' ' 637' ' ' ARG . 96.0 mt -126.73 131.44 51.34 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.313 -0.995 . . . . 74.34 108.313 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 29.9 m -101.41 124.14 46.61 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.276 -0.874 . . . . 65.24 110.844 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -118.86 130.18 55.61 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.953 -0.567 . . . . 72.05 109.489 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.94 135.34 48.67 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 120.977 0.417 . . . . 65.3 110.149 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 676' ' ' ILE . 61.0 t -125.14 117.82 25.47 Favored Pre-proline 0 C--N 1.291 -1.949 0 N-CA-C 108.549 -0.908 . . . . 72.04 108.549 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 70.6 Cg_endo -79.27 147.04 20.21 Favored 'Trans proline' 0 N--CA 1.427 -2.42 0 N-CA-C 108.895 -1.233 . . . . 53.32 108.895 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.42 80.16 4.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 122.064 0.935 . . . . 75.11 109.691 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 596' ' ' SER . 13.3 m120 -122.83 119.54 30.85 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 114.258 -1.337 . . . . 74.35 111.063 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 t70 71.59 -11.38 0.73 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.52 1.528 . . . . 53.14 111.457 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 594' ' ' ASN . 20.3 m -82.06 102.41 10.99 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 115.025 -0.989 . . . . 50.45 108.87 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -131.54 -39.85 0.24 Allowed Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 109.367 -1.493 . . . . 55.44 109.367 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.1 m -72.99 -21.62 60.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.713 0.768 . . . . 73.54 109.381 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.88 43.36 Favored 'General case' 0 N--CA 1.395 -3.212 0 N-CA-C 105.493 -2.04 . . . . 74.42 105.493 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -76.91 -52.57 5.73 Favored Glycine 0 C--N 1.27 -3.13 0 N-CA-C 110.01 -1.236 . . . . 52.12 110.01 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 676' ' ' ILE . 12.4 mt -113.81 -35.3 5.19 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.265 -1.013 . . . . 72.41 108.265 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.554 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.49 51.94 2.61 Favored Glycine 0 N--CA 1.401 -3.648 0 CA-C-N 114.378 -1.283 . . . . 34.34 110.505 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.5 t -140.2 152.0 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 N-CA-C 106.275 -1.75 . . . . 71.52 106.275 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 40.1 m -111.87 131.93 55.04 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.959 -1.497 . . . . 73.43 106.959 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 621' ' ' VAL . 4.2 m -124.76 164.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.688 0 CA-C-O 121.336 0.589 . . . . 71.12 112.027 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.415 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 22.5 pttp -149.1 152.34 35.99 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.828 -1.078 . . . . 65.55 109.747 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.37 122.19 5.74 Favored Glycine 0 C--N 1.276 -2.79 0 C-N-CA 120.546 -0.835 . . . . 62.23 111.26 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -94.41 138.84 31.87 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-O 121.474 0.654 . . . . 54.15 111.099 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 56.0 ttp180 -130.45 125.27 33.99 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 107.586 -1.264 . . . . 73.33 107.586 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.675 ' OG ' ' HB3' ' A' ' 613' ' ' ASN . 60.2 p -66.87 126.06 27.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 123.835 0.709 . . . . 65.31 109.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.55 ' HD2' ' HA3' ' B' ' 775' ' ' GLY . 49.1 mtmt -77.58 -41.8 37.48 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 106.733 -1.58 . . . . 75.34 106.733 175.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' ' 612' ' ' GLU . 1.2 mp0 -58.33 -52.6 64.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.953 -1.476 . . . . 73.53 111.08 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.675 ' HB3' ' OG ' ' A' ' 610' ' ' SER . 52.4 t-20 -87.43 -26.03 23.47 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.986 0.422 . . . . 74.32 110.549 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 66.2 m80 77.22 4.59 3.22 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.653 1.181 . . . . 61.02 112.539 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -103.96 149.64 24.95 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.712 -0.847 . . . . 61.42 108.712 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.6 p-10 -86.14 141.22 29.54 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 119.816 -0.754 . . . . 63.22 109.945 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.37 -12.45 40.35 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.296 -0.865 . . . . 74.4 109.52 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 108.81 -167.28 12.98 Favored Glycine 0 C--N 1.311 -0.823 0 CA-C-N 115.238 -0.892 . . . . 63.12 112.94 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -99.27 131.19 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.373 0.669 . . . . 64.32 109.94 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 87.2 m-85 -130.56 144.96 51.76 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.806 0.336 . . . . 64.42 110.567 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.506 ' HA ' HG12 ' A' ' 605' ' ' VAL . 84.7 t -65.82 131.83 31.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 CA-C-N 116.048 -0.524 . . . . 75.14 110.376 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -105.7 -38.06 6.53 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 120.942 0.401 . . . . 63.22 110.834 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.9 t -149.01 135.79 19.69 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 109.617 -0.512 . . . . 52.45 109.617 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.03 125.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.143 -1.058 . . . . 74.15 108.143 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -92.42 113.76 28.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.35 0.595 . . . . 64.33 109.758 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.15 114.14 15.64 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.009 -1.108 . . . . 62.41 108.009 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.17 -22.28 2.76 Favored Glycine 0 N--CA 1.427 -1.944 0 N-CA-C 110.355 -1.098 . . . . 75.13 110.355 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -89.47 156.1 25.54 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.723 -0.751 . . . . 71.33 111.866 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.41 74.09 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 111.723 0.268 . . . . 75.33 111.723 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -63.13 -27.24 69.24 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-O 121.304 0.573 . . . . 65.24 110.588 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.4 t -74.37 -54.82 6.86 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.049 -0.978 . . . . 74.55 109.766 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.367 0.0 OUTLIER -75.82 -35.2 60.1 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.582 1.697 . . . . 64.31 115.582 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 -47.14 19.28 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 112.403 0.52 . . . . 54.25 112.403 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.51 -43.06 5.63 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.06 -1.067 . . . . 74.0 114.976 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 61.75 82.96 0.16 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.758 -0.46 . . . . 73.4 109.758 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.34 177.93 4.73 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.102 -0.374 . . . . 75.34 111.539 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.0 OUTLIER -112.79 170.44 8.19 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.133 -0.692 . . . . 72.44 109.133 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.4 t -85.68 142.19 13.51 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 107.439 -1.319 . . . . 74.54 107.439 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 68.71 18.85 8.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.017 1.327 . . . . 73.14 109.578 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 37.0 t0 -70.68 137.63 49.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.635 -1.246 . . . . 75.03 107.635 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -86.49 113.05 22.1 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 123.819 0.847 . . . . 62.43 111.316 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.444 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.6 mp -80.37 121.79 26.14 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 120.969 0.414 . . . . 44.33 109.972 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.512 HG21 ' CE2' ' A' ' 586' ' ' PHE . 49.4 mm -101.4 -60.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.699 -0.682 . . . . 75.22 111.62 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -138.62 157.59 45.86 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.991 -0.55 . . . . 65.35 110.628 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.512 HG23 HD13 ' A' ' 678' ' ' LEU . 14.9 p -138.49 131.69 40.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 O-C-N 123.344 0.402 . . . . 75.01 109.92 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.456 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 86.5 m-20 52.45 29.57 7.17 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.52 0.933 . . . . 74.15 113.52 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.39 -8.7 78.05 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.9 -0.667 . . . . 51.15 113.098 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.45 130.37 34.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 106.63 -1.619 . . . . 74.44 106.63 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.6 t -89.12 111.52 22.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.605 0.716 . . . . 72.33 111.12 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.429 ' HA ' ' HZ3' ' A' ' 653' ' ' LYS . 6.5 mp -92.87 -18.98 22.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 115.877 -0.602 . . . . 61.31 109.85 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.432 ' HB2' HG23 ' A' ' 643' ' ' ILE . 2.5 tm? -71.94 94.79 1.49 Allowed 'General case' 0 N--CA 1.428 -1.561 0 N-CA-C 108.208 -1.034 . . . . 71.55 108.208 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.98 -41.07 0.61 Allowed Glycine 0 C--N 1.287 -2.157 0 N-CA-C 108.902 -1.679 . . . . 71.13 108.902 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' LYS . . . . . 0.429 ' HZ3' ' HA ' ' A' ' 650' ' ' LEU . 16.1 pttm -88.26 166.53 14.26 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.576 -0.812 . . . . 73.25 109.716 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.14 160.65 29.54 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 123.328 0.392 . . . . 63.23 111.402 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.659 ' O ' ' HG3' ' A' ' 659' ' ' MET . 32.9 p30 -49.35 -46.48 47.09 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.166 0.802 . . . . 71.35 113.166 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.39 -46.87 79.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.418 0.628 . . . . 75.2 110.758 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.74 -42.31 95.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.315 -0.857 . . . . 72.01 108.857 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.61 77.18 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.75 -1.113 . . . . 61.34 110.971 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.659 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.2 mtp -61.58 -42.04 98.28 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.056 0.142 . . . . 70.21 110.797 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.02 -41.04 87.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.871 0.367 . . . . 65.23 110.611 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.4 m -66.02 -39.45 90.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.874 -0.417 . . . . 74.33 109.874 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.2 -52.54 65.25 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 124.125 0.97 . . . . 71.34 111.165 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 659' ' ' MET . 71.2 mtp180 -56.04 -49.08 74.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.714 0.634 . . . . 65.44 110.616 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -66.67 -43.22 85.11 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 115.683 -0.69 . . . . 73.34 111.771 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 42.4 m -70.38 -31.33 68.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 122.018 -0.426 . . . . 55.34 111.495 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.45 ' SD ' HG22 ' B' ' 784' ' ' ILE . 22.2 ptm -77.8 -35.47 51.41 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.216 -0.994 . . . . 74.13 110.358 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 34.4 t -76.54 -48.56 18.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 74.13 110.219 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 89.0 m -75.43 -50.62 15.25 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.24 -0.436 . . . . 74.25 112.127 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -86.82 -56.32 3.45 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.282 -0.967 . . . . 55.24 112.446 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -51.97 -59.13 9.12 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 114.086 0.394 . . . . 50.14 114.086 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -70.18 -4.9 23.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.495 0.924 . . . . 60.23 113.495 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -114.07 -28.16 7.43 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.34 -0.544 . . . . 75.23 111.781 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -76.24 -27.03 56.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.73 -0.841 . . . . 75.33 108.73 173.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 99.53 -20.73 48.42 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.734 -0.946 . . . . 75.32 110.734 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.434 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.7 ptp -146.45 153.66 40.7 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.161 0.505 . . . . 74.35 109.651 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.6 HG21 HD21 ' A' ' 601' ' ' LEU . 8.6 tt -122.21 144.49 31.34 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.707 0 CA-C-N 114.87 -1.059 . . . . 74.13 110.081 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -109.66 129.96 55.55 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.81 -0.441 . . . . 75.4 109.81 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 645' ' ' VAL . 1.5 mm? -122.99 128.59 50.41 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.876 -0.416 . . . . 54.43 109.876 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -108.4 118.23 55.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.21 -1.404 . . . . 75.11 107.21 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.423 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 24.0 m -123.15 158.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 123.283 0.365 . . . . 73.1 110.138 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -124.92 125.62 44.22 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.098 0.475 . . . . 61.44 110.717 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -110.12 159.81 17.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.794 -0.817 . . . . 64.14 108.794 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -82.66 124.45 30.21 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.995 -0.743 . . . . 61.15 108.995 173.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.77 -39.49 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-O 121.888 0.851 . . . . 75.24 108.751 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.6 m -101.31 91.19 4.38 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.34 -1.3 . . . . 63.41 108.058 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -98.42 101.04 12.37 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.308 -0.997 . . . . 70.24 108.308 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.55 119.24 22.95 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.791 -0.64 . . . . 73.11 110.36 -176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.04 96.51 8.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.365 -0.976 . . . . 72.24 108.365 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.299 -1.612 0 CA-C-N 115.181 -0.918 . . . . 74.31 110.048 -176.077 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.855 0.36 . . . . 71.33 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.5 mp -108.1 144.11 35.93 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.946 -0.57 . . . . 71.32 110.573 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -92.2 -24.88 18.9 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.213 -1.032 . . . . 75.03 108.213 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 67.2 166.86 0.23 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.961 1.304 . . . . 54.33 112.46 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 62.9 tp -114.28 134.81 54.68 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.574 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.67 102.93 7.04 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 104.966 -2.235 . . . . 75.4 104.966 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 775' ' ' GLY . . . . . 0.55 ' HA3' ' HD2' ' A' ' 611' ' ' LYS . . . 120.03 76.32 0.47 Allowed Glycine 0 N--CA 1.398 -3.9 0 C-N-CA 119.528 -1.32 . . . . 72.31 110.48 -174.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 52.7 m -75.79 88.14 2.82 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 121.444 0.64 . . . . 65.44 110.884 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.0 139.89 36.32 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 107.781 -1.192 . . . . 71.2 107.781 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.2 -12.37 21.12 Favored 'Trans proline' 0 C--O 1.24 0.593 0 C-N-CA 122.462 2.108 . . . . 72.1 112.38 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 779' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' B' ' 779' ' ' GLN . 6.1 tp60 64.91 101.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 124.295 0.997 . . . . 65.1 109.771 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 780' ' ' GLU . . . . . 0.581 ' HB3' ' SD ' ' A' ' 659' ' ' MET . 7.9 mm-40 -72.47 118.49 15.44 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.362 0.875 . . . . 72.14 113.362 -175.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 24.0 mt-10 -130.16 134.52 47.37 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 113.891 -1.504 . . . . 64.35 110.142 -178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 58.4 tp -136.9 131.61 33.35 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 116.074 -0.512 . . . . 71.41 109.973 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -98.02 121.73 48.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 107.644 -1.243 . . . . 72.15 107.644 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.501 HD12 HD12 ' A' ' 601' ' ' LEU . 11.0 pt . . . . . 0 N--CA 1.411 -2.392 0 CA-C-O 117.84 -1.076 . . . . 71.11 110.455 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.86 0 N-CA-C 110.741 -0.944 . . . . 70.11 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 36.9 p -100.01 122.35 42.76 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 117.05 0.425 . . . . 64.1 111.014 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 33.7 t70 74.15 -45.21 0.59 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 124.982 1.313 . . . . 75.1 112.206 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 105.78 147.53 15.48 Favored Glycine 0 N--CA 1.424 -2.141 0 N-CA-C 110.741 -0.944 . . . . 53.15 110.741 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 30.5 m -73.72 97.4 2.69 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 108.628 -0.879 . . . . 72.42 108.628 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -144.64 163.04 35.13 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.204 -0.907 . . . . 71.31 109.123 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -144.36 150.45 37.8 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 109.267 -0.642 . . . . 73.24 109.267 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 643' ' ' ILE . 3.2 m-30 -102.66 122.34 44.24 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.314 0.383 . . . . 74.21 110.697 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 146.32 32.1 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.191 -0.67 . . . . 62.54 109.191 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 24.6 m -110.68 121.28 44.94 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.508 -0.923 . . . . 64.41 108.508 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.53 127.63 53.81 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.374 -0.375 . . . . 62.44 110.045 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.34 119.31 38.42 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.417 -0.957 . . . . 63.52 108.417 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.417 ' HB ' HG23 ' A' ' 676' ' ' ILE . 87.6 t -116.97 117.19 37.39 Favored Pre-proline 0 C--N 1.283 -2.292 0 CA-C-N 115.257 -0.883 . . . . 74.52 109.697 -171.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.3 Cg_endo -78.09 148.46 24.56 Favored 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.494 1.463 . . . . 64.03 110.465 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.57 73.23 3.28 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 122.577 1.179 . . . . 61.31 110.132 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -107.99 -67.33 0.97 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 113.634 -1.621 . . . . 74.34 107.919 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ASP . . . . . 0.511 ' HB2' ' N ' ' A' ' 629' ' ' ALA . 5.3 m-20 -86.08 73.39 10.27 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 122.526 1.155 . . . . 73.45 108.309 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 41.0 t -143.24 135.13 26.75 Favored 'General case' 0 N--CA 1.384 -3.761 0 CA-C-N 112.7 -2.045 . . . . 73.33 106.869 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 164.55 -45.93 0.3 Allowed Glycine 1 C--N 1.25 -4.235 0 N-CA-C 109.551 -1.42 . . . . 60.04 109.551 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 29.1 t -81.34 -32.05 33.17 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 107.954 -1.128 . . . . 71.24 107.954 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -148.49 -175.32 4.88 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 106.26 -1.756 . . . . 72.31 106.26 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -91.77 -60.31 1.28 Allowed Glycine 0 C--N 1.267 -3.26 0 N-CA-C 109.872 -1.291 . . . . 73.23 109.872 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 676' ' ' ILE . 6.9 mp -108.39 -28.05 9.61 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.19 -0.67 . . . . 60.5 109.19 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 82.52 49.9 4.97 Favored Glycine 1 N--CA 1.391 -4.331 0 N-CA-C 109.288 -1.525 . . . . 30.33 109.288 -178.618 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.11 151.56 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.108 0 N-CA-C 106.939 -1.504 . . . . 75.43 106.939 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 45.3 m -114.63 132.57 56.32 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 107.225 -1.398 . . . . 45.11 107.225 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.0 m -124.2 162.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.117 0 CA-C-N 115.585 -0.734 . . . . 64.23 111.209 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.521 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -150.23 153.51 36.34 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.081 -0.963 . . . . 60.31 109.078 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.681 ' O ' ' HA ' ' B' ' 778' ' ' PRO . . . -105.47 152.47 17.21 Favored Glycine 0 C--N 1.267 -3.252 0 C-N-CA 119.605 -1.283 . . . . 70.2 111.216 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -123.36 130.36 52.61 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.986 -1.487 . . . . 74.41 106.986 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 48.8 ttp180 -127.73 138.72 52.87 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.734 -0.469 . . . . 64.12 109.734 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.9 m -83.48 147.3 27.9 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.549 -0.75 . . . . 53.23 111.972 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 612' ' ' GLU . 63.0 pttt -85.48 -52.57 5.75 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 120.952 0.406 . . . . 73.3 110.366 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 611' ' ' LYS . 39.9 tt0 -79.1 -43.08 24.83 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 123.688 0.795 . . . . 65.42 110.332 -175.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -74.5 -15.81 60.86 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.765 -0.652 . . . . 73.44 110.061 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.6 m80 57.53 11.9 1.36 Allowed 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 124.528 1.131 . . . . 54.02 113.772 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -117.39 161.55 19.36 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 109.581 -0.525 . . . . 64.11 109.581 -178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.0 m-20 -84.28 143.37 29.59 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.4 -1.333 . . . . 62.21 107.4 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.61 -15.79 38.69 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.808 -1.182 . . . . 74.31 107.808 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 114.21 -169.0 12.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.648 -1.16 . . . . 71.24 112.226 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.449 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 48.5 mm -103.59 126.37 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.215 -1.032 . . . . 73.5 108.215 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -119.99 148.44 43.55 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 122.805 0.442 . . . . 70.41 110.053 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 605' ' ' VAL . 73.9 t -68.67 130.91 33.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 109.708 -0.478 . . . . 63.43 109.708 173.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -105.87 -38.01 6.49 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 116.101 -0.499 . . . . 75.33 111.206 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.7 m -150.04 140.48 22.39 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.181 -0.463 . . . . 65.51 109.957 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.0 mp -104.11 129.26 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 108.725 -0.843 . . . . 73.45 108.725 177.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.496 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.3 mt -89.96 119.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 CA-C-N 115.9 -0.591 . . . . 63.11 109.653 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -79.07 90.6 4.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.133 -1.062 . . . . 73.12 108.133 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 160.94 33.3 0.02 OUTLIER Glycine 0 C--N 1.291 -1.955 0 N-CA-C 109.592 -1.403 . . . . 64.31 109.592 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 601' ' ' LEU . . . -148.9 150.6 22.77 Favored Glycine 0 N--CA 1.425 -2.092 0 N-CA-C 110.263 -1.135 . . . . 53.5 110.263 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' ALA . . . . . 0.511 ' N ' ' HB2' ' A' ' 595' ' ' ASP . . . -65.27 -29.93 70.75 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.199 0.444 . . . . 71.12 112.199 -176.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.89 64.54 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 121.242 0.544 . . . . 32.12 110.235 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 32.8 t -74.6 -52.42 11.82 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.379 -0.828 . . . . 74.22 109.667 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.19 -50.02 21.04 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.263 0.838 . . . . 62.22 113.263 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -80.28 -42.82 22.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.303 0.483 . . . . 71.14 112.303 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -87.58 -43.68 5.73 Favored Glycine 0 C--O 1.223 -0.532 0 C-N-CA 120.43 -0.89 . . . . 73.25 114.77 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 635' ' ' ARG . 2.4 mmp_? 61.93 81.58 0.19 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.545 0.673 . . . . 74.23 112.056 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.83 171.65 8.17 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.755 -0.461 . . . . 75.11 109.755 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 0.4 OUTLIER -117.69 169.78 9.3 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.072 -0.651 . . . . 75.31 109.609 -175.01 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.99 144.14 10.68 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 107.054 -1.461 . . . . 75.14 107.054 171.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 59.2 t30 71.57 18.92 5.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.563 1.173 . . . . 75.42 109.044 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.443 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 52.1 t0 -84.59 129.48 34.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.205 -1.406 . . . . 70.21 107.205 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -89.4 122.69 32.86 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.198 0.444 . . . . 72.02 112.198 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.434 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.5 mp -81.94 114.19 20.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.688 -0.687 . . . . 72.11 110.229 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.478 HG21 ' CE2' ' A' ' 586' ' ' PHE . 45.1 mm -94.15 -55.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.497 -0.774 . . . . 74.23 111.088 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -140.58 146.0 37.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.305 -0.861 . . . . 33.24 110.515 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.71 130.67 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 CA-C-O 121.144 0.497 . . . . 54.14 110.083 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.402 ' ND2' HG13 ' A' ' 676' ' ' ILE . 18.6 m120 57.16 23.68 8.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.823 1.249 . . . . 53.34 111.903 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 92.2 6.19 65.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.897 -0.668 . . . . 60.12 113.355 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -117.95 126.85 53.12 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 122.134 -0.627 . . . . 72.24 109.614 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.8 m -78.35 146.35 34.72 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 120.769 0.319 . . . . 71.03 111.358 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.82 17.58 2.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.627 0.727 . . . . 75.31 109.871 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.5 -14.5 62.55 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.132 -0.94 . . . . 71.04 111.034 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -115.27 45.08 1.36 Allowed Glycine 0 N--CA 1.435 -1.386 0 C-N-CA 120.771 -0.728 . . . . 53.22 112.869 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.82 176.24 10.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 117.025 0.412 . . . . 75.14 110.787 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.87 165.58 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.174 0.589 . . . . 73.51 112.165 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -48.35 76.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.272 0.358 . . . . 75.14 111.198 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.44 -52.31 65.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 121.43 0.634 . . . . 63.33 111.315 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.02 -43.88 78.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 113.959 -1.473 . . . . 54.21 110.209 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -61.6 -43.82 98.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.658 -0.701 . . . . 64.12 110.981 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.81 -41.07 96.07 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 120.65 0.262 . . . . 71.2 111.019 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -61.02 -44.53 97.28 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 108.788 -0.819 . . . . 65.24 108.788 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 94.0 m -61.33 -46.56 89.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.948 0.499 . . . . 53.44 110.918 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -57.43 -56.79 17.25 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 122.246 0.218 . . . . 65.24 111.323 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.57 -37.72 87.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 72.55 110.191 -176.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.62 -46.41 89.94 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 115.433 -0.803 . . . . 71.4 110.191 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.8 m -69.42 -33.6 73.21 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 116.489 -0.323 . . . . 60.41 110.866 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.1 mtp -69.89 -41.38 74.82 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.188 0.518 . . . . 74.44 109.971 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 21.8 t -77.67 -50.49 12.37 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.488 -0.778 . . . . 72.31 110.715 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.8 m -74.23 -49.97 21.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 112.227 0.455 . . . . 74.41 112.227 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -94.15 -44.4 8.02 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 112.931 0.715 . . . . 61.03 112.931 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.22 -56.72 22.8 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-O 120.129 -0.261 . . . . 51.34 113.391 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.88 -8.27 53.39 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.097 0.475 . . . . 71.31 111.679 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -90.87 -54.72 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.121 -0.49 . . . . 75.12 110.255 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -73.0 -28.85 62.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.903 -0.589 . . . . 64.45 111.077 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 95.44 -13.47 66.59 Favored Glycine 0 C--O 1.242 0.598 0 N-CA-C 110.499 -1.04 . . . . 73.21 110.499 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.409 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 20.6 ptp -147.31 145.09 29.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 123.629 0.772 . . . . 71.42 109.87 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 601' ' ' LEU . 11.5 tt -112.44 135.03 53.1 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-N 115.044 -0.98 . . . . 63.2 110.566 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.87 132.6 50.91 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.025 -0.534 . . . . 72.23 110.488 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 601' ' ' LEU . 0.9 OUTLIER -127.26 127.84 45.04 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.393 -0.595 . . . . 74.11 109.393 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -106.01 115.9 48.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.872 -1.529 . . . . 70.53 106.872 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.443 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.4 m -123.72 152.77 29.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.971 0 CA-C-N 116.109 -0.496 . . . . 73.02 109.874 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.06 127.96 54.3 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.393 -0.367 . . . . 72.44 111.222 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.467 ' NH2' HH21 ' A' ' 637' ' ' ARG . 4.1 ptp180 -108.61 143.39 37.73 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.534 -1.284 . . . . 43.35 107.534 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -92.69 138.9 31.09 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.367 -0.605 . . . . 73.41 109.367 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 684' ' ' ILE . 3.2 mp -87.49 107.52 17.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 N-CA-C 108.709 -0.848 . . . . 75.53 108.709 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 39.5 t -131.68 -66.36 0.72 Allowed 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.706 -1.22 . . . . 71.12 107.706 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 59.52 -178.74 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.643 0.777 . . . . 72.02 110.85 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.6 m 68.16 -54.57 0.52 Allowed 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.806 1.039 . . . . 74.51 113.806 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.23 -62.82 1.48 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 122.764 0.425 . . . . 74.14 110.87 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.312 -1.029 0 N-CA-C 107.981 -1.118 . . . . 73.05 107.981 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 C--O 1.243 0.759 0 CA-C-O 120.75 0.309 . . . . 73.14 110.794 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.16 116.06 23.51 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.385 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -105.97 -23.85 12.56 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.895 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 71.7 155.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.363 1.065 . . . . 61.23 112.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 92.7 mt 75.03 -172.72 0.11 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.975 1.31 . . . . 62.32 111.658 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -98.59 -32.35 11.48 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.78 0.8 . . . . 75.35 109.981 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 134.01 87.34 0.29 Allowed Glycine 0 N--CA 1.406 -3.341 0 CA-C-N 115.033 -0.985 . . . . 70.35 111.283 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 776' ' ' SER . . . . . 0.415 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 29.5 p -151.19 151.16 31.51 Favored 'General case' 0 N--CA 1.407 -2.595 0 N-CA-C 105.753 -1.944 . . . . 43.33 105.753 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.62 98.46 40.97 Favored Pre-proline 0 C--N 1.288 -2.085 0 C-N-CA 120.124 -0.63 . . . . 72.51 111.925 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 778' ' ' PRO . . . . . 0.681 ' HA ' ' O ' ' A' ' 607' ' ' GLY . 32.1 Cg_endo -105.01 20.81 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.84 3.027 . . . . 62.35 110.148 173.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.37 -30.46 67.39 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.141 -0.936 . . . . 74.01 112.916 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.12 112.8 15.45 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.909 -0.716 . . . . 61.21 111.201 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 42.4 mt-10 -115.92 152.38 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.715 0.806 . . . . 71.3 110.088 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.74 135.02 20.57 Favored 'General case' 0 N--CA 1.421 -1.923 0 N-CA-C 107.538 -1.282 . . . . 74.11 107.538 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 783' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -104.87 129.51 57.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.625 -0.88 . . . . 73.24 108.625 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.545 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 24.6 pt . . . . . 0 N--CA 1.423 -1.795 0 CA-C-O 117.715 -1.136 . . . . 72.3 111.265 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.227 0 N-CA-C 110.419 -1.073 . . . . 72.52 110.419 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 21.3 m -88.27 143.19 27.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 109.389 -0.597 . . . . 71.31 109.389 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -54.65 -56.53 18.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 123.637 0.586 . . . . 62.02 110.134 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -119.57 148.61 18.07 Favored Glycine 0 N--CA 1.413 -2.858 0 N-CA-C 109.759 -1.336 . . . . 54.12 109.759 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 24.6 m -71.72 107.97 4.81 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.144 -0.687 . . . . 73.31 109.144 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -143.44 153.82 43.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 112.372 0.508 . . . . 73.11 112.372 -176.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -116.32 137.06 52.46 Favored 'General case' 0 N--CA 1.424 -1.725 0 CA-C-N 115.285 -0.87 . . . . 44.12 109.113 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.83 122.4 35.18 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 109.205 -0.665 . . . . 75.33 109.205 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 93.6 mt -112.28 131.27 55.6 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-O 120.992 0.425 . . . . 65.21 110.492 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 53.6 m -107.06 122.18 45.95 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-N 115.041 -0.981 . . . . 73.41 109.04 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -121.77 121.14 36.58 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.43 -0.35 . . . . 63.44 110.662 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.47 112.01 24.56 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.064 0.935 . . . . 74.04 108.609 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.03 118.96 51.43 Favored Pre-proline 0 C--N 1.278 -2.519 0 CA-C-N 113.712 -1.586 . . . . 64.02 109.925 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.74 148.2 41.08 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.567 1.512 . . . . 74.41 110.74 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.3 73.46 3.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.861 0.838 . . . . 74.44 108.991 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.73 -51.94 3.32 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.687 -1.142 . . . . 65.43 110.75 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.78 17.33 9.19 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 121.607 0.718 . . . . 74.4 109.434 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.695 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.1 t -73.6 116.72 14.52 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 114.888 -1.051 . . . . 75.15 110.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 177.67 -60.29 0.09 OUTLIER Glycine 1 C--N 1.254 -4.003 0 CA-C-N 113.139 -1.846 . . . . 52.44 109.697 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.4 p -77.61 -30.59 52.44 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.97 0.891 . . . . 25.04 109.415 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.695 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -152.6 170.13 20.96 Favored 'General case' 0 N--CA 1.402 -2.843 0 N-CA-C 104.064 -2.569 . . . . 64.45 104.064 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -88.95 -51.86 2.91 Favored Glycine 0 C--N 1.271 -3.08 0 N-CA-C 110.55 -1.02 . . . . 62.34 110.55 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 676' ' ' ILE . 6.2 mp -106.59 -36.3 6.79 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.612 -0.884 . . . . 73.41 108.612 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.612 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.17 49.12 3.37 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 109.924 -1.27 . . . . 65.33 109.924 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.414 HG21 HD12 ' A' ' 636' ' ' LEU . 11.7 t -134.81 152.32 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 N-CA-C 106.899 -1.519 . . . . 61.22 106.899 175.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 44.9 m -113.09 134.15 54.67 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.219 -1.03 . . . . 71.42 108.219 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.4 m -124.63 163.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 CA-C-N 116.026 -0.534 . . . . 71.34 111.51 177.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 152.55 34.45 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 115.154 -0.93 . . . . 60.12 109.324 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.38 137.72 13.86 Favored Glycine 0 C--N 1.28 -2.556 0 C-N-CA 119.456 -1.354 . . . . 60.24 111.836 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -113.53 145.46 41.18 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 109.099 -0.704 . . . . 74.32 109.099 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.581 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 24.7 ttt85 -133.17 133.84 43.34 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.57 -0.53 . . . . 74.42 109.57 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 5.0 m -65.56 117.19 7.68 Favored 'General case' 0 N--CA 1.423 -1.794 0 O-C-N 123.787 0.68 . . . . 75.24 109.423 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.11 -42.34 99.54 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 122.81 0.444 . . . . 73.4 111.533 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -89.71 -33.84 16.45 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.441 0.639 . . . . 72.03 110.657 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 9.7 t-20 -89.73 -29.04 18.99 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 114.5 1.296 . . . . 73.14 114.5 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 61.84 9.7 3.09 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 115.412 1.634 . . . . 54.04 115.412 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 613' ' ' ASN . . . -97.54 5.77 49.07 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.478 -0.764 . . . . 73.25 111.126 -176.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 9.0 m-20 69.48 152.93 0.1 Allowed 'General case' 0 N--CA 1.435 -1.205 0 C-N-CA 125.343 1.457 . . . . 61.31 109.802 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 96.3 mt -99.56 -10.58 21.89 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 107.529 -1.286 . . . . 74.45 107.529 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 97.69 -164.52 21.93 Favored Glycine 0 CA--C 1.523 0.534 0 CA-C-N 114.648 -1.16 . . . . 43.51 112.375 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.467 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 45.8 mm -105.26 129.07 58.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.746 -0.835 . . . . 74.11 108.746 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.5 m-85 -123.73 149.85 45.06 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 122.344 0.258 . . . . 71.23 110.783 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.5 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.6 t -67.49 136.26 26.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.404 0.621 . . . . 73.24 110.487 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -106.37 -45.53 4.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.204 -0.453 . . . . 74.2 111.228 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 33.4 t -148.52 142.33 25.68 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 109.67 -0.493 . . . . 63.35 109.67 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.64 131.58 40.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.316 -0.994 . . . . 63.22 108.316 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.612 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 72.0 mt -93.55 123.47 45.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 110.04 -0.356 . . . . 75.22 110.04 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.15 132.16 45.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.671 -0.863 . . . . 62.11 108.671 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 91.82 42.88 4.63 Favored Glycine 0 C--N 1.297 -1.597 0 C-N-CA 120.247 -0.977 . . . . 75.24 110.97 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -139.87 140.27 10.58 Favored Glycine 0 N--CA 1.431 -1.662 0 N-CA-C 110.18 -1.168 . . . . 71.33 110.18 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.06 -30.26 71.34 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.374 0.509 . . . . 72.52 112.374 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.87 69.29 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.551 0.691 . . . . 73.42 109.694 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 19.2 m -73.59 -47.09 43.07 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 114.228 -1.351 . . . . 64.33 109.783 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -75.92 -52.54 10.07 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 114.186 1.18 . . . . 72.52 114.186 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -79.0 -52.76 7.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.226 0.824 . . . . 74.41 113.226 -170.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.74 -42.44 5.72 Favored Glycine 0 CA--C 1.495 -1.164 0 C-N-CA 120.103 -1.046 . . . . 54.44 111.968 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 71.57 95.43 0.07 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 122.429 1.109 . . . . 72.03 111.453 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' LEU . . . . . 0.414 HD12 HG21 ' A' ' 603' ' ' VAL . 90.4 mt -88.43 179.66 6.27 Favored 'General case' 0 C--N 1.268 -2.974 0 CA-C-N 113.634 -1.621 . . . . 74.51 109.315 175.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.607 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 0.2 OUTLIER -136.55 176.19 8.93 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.598 -0.889 . . . . 70.52 108.598 -175.223 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.79 132.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.938 0 C-N-CA 120.466 -0.494 . . . . 72.22 109.794 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.04 23.95 2.61 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.224 1.409 . . . . 61.33 111.77 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.607 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 2.9 p30 -78.58 151.14 32.57 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 118.095 -1.442 . . . . 60.12 109.436 171.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -92.39 115.11 27.8 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 116.022 -0.536 . . . . 71.22 112.215 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.458 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -76.57 109.52 10.38 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.673 0.749 . . . . 63.11 109.894 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.6 mm -87.19 -53.57 9.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.982 -1.008 . . . . 73.22 110.039 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -134.56 142.87 47.1 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.332 -0.849 . . . . 70.35 110.014 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 662' ' ' LEU . 10.0 p -126.99 119.57 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.276 0 CA-C-O 121.986 0.898 . . . . 73.14 111.299 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.465 ' HB2' HG13 ' A' ' 676' ' ' ILE . 56.6 t30 51.35 47.74 24.28 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.002 -1.454 . . . . 74.22 110.007 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 105.35 -51.8 0.75 Allowed Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.102 -1.047 . . . . 63.42 114.836 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.507 ' OE2' HG21 ' A' ' 661' ' ' THR . 36.7 tt0 -85.34 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.573 0.687 . . . . 72.52 112.008 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 45.6 m -84.5 120.27 26.12 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.652 -0.499 . . . . 52.52 109.652 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.01 -22.6 42.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 109.835 -0.431 . . . . 72.2 109.835 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.15 93.03 0.57 Allowed 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.603 -1.258 . . . . 64.15 107.603 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 161.75 -36.39 0.38 Allowed Glycine 0 C--N 1.301 -1.386 0 N-CA-C 110.375 -1.09 . . . . 55.34 110.375 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.29 156.04 18.24 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 110.301 -0.259 . . . . 73.11 110.301 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.28 168.6 5.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.912 0.485 . . . . 52.34 111.442 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 659' ' ' MET . 12.7 m120 -52.93 -49.95 64.99 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 112.075 0.398 . . . . 63.53 112.075 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 19.2 mm-40 -63.88 -42.46 97.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.819 0.342 . . . . 74.45 110.686 -175.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.11 -45.88 91.51 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.568 -0.742 . . . . 74.2 109.611 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.03 99.8 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.21 -0.905 . . . . 70.13 111.496 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.638 ' HE2' ' HB2' ' B' ' 782' ' ' LEU . 84.7 mtp -70.54 -37.08 74.02 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.524 -0.307 . . . . 71.43 110.95 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 16.1 mm-40 -65.59 -41.38 92.88 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 120.854 0.359 . . . . 75.04 110.692 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' THR . . . . . 0.507 HG21 ' OE2' ' A' ' 648' ' ' GLU . 54.7 m -65.6 -43.46 89.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.792 -0.64 . . . . 72.31 109.53 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.599 ' O ' ' HG3' ' A' ' 666' ' ' MET . 56.7 tp -53.74 -55.5 25.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.922 -1.035 . . . . 73.24 111.037 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 659' ' ' MET . 43.6 mtm105 -54.84 -44.82 74.28 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.607 0.567 . . . . 70.1 110.861 -177.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -68.97 -51.29 41.01 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.841 -0.618 . . . . 74.43 111.58 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 36.7 m -77.53 -28.8 52.06 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 113.576 0.954 . . . . 71.24 113.576 -170.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 3.1 ppp? -76.2 -24.39 54.68 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.066 -1.054 . . . . 75.15 110.174 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.2 t -92.32 -56.86 2.89 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.598 -0.728 . . . . 72.54 109.777 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 52.6 m -71.21 -60.33 2.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.166 -0.47 . . . . 44.24 111.635 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -71.83 -27.75 63.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 120.95 0.405 . . . . 73.31 110.923 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -61.24 -54.28 37.66 Favored Glycine 0 CA--C 1.507 -0.443 0 N-CA-C 111.31 -0.716 . . . . 43.34 111.31 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.46 -19.51 64.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.169 0.509 . . . . 73.45 111.078 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.09 -53.17 10.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.144 -0.48 . . . . 62.15 110.558 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -69.16 -32.19 71.37 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.026 -0.534 . . . . 71.05 110.93 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 105.39 -36.88 4.11 Favored Glycine 0 C--N 1.309 -0.935 0 N-CA-C 110.1 -1.2 . . . . 65.22 110.1 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -136.58 154.17 50.76 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.849 -0.797 . . . . 72.21 108.849 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.495 HD13 HD11 ' A' ' 601' ' ' LEU . 8.7 tt -111.05 135.09 51.26 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 115.282 -0.872 . . . . 70.03 110.629 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -104.44 115.78 30.97 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.557 -0.747 . . . . 72.14 111.793 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.1 mm? -110.96 128.9 55.99 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 109.479 -0.563 . . . . 74.14 109.479 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.0 118.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.974 -1.491 . . . . 73.44 106.974 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.36 153.04 26.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 N-CA-C 109.194 -0.669 . . . . 75.34 109.194 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -110.66 124.8 52.62 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 109.06 -0.719 . . . . 71.31 109.06 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -113.81 125.49 54.15 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 108.264 -1.013 . . . . 65.12 108.264 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 683' ' ' ARG 0.283 0.0 OUTLIER -87.8 130.59 34.81 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 117.556 -1.658 . . . . 75.24 109.715 174.569 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.29 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 CA-C-O 121.593 0.711 . . . . 64.2 109.258 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 13.2 m -64.92 107.71 1.56 Allowed 'General case' 0 N--CA 1.426 -1.642 0 N-CA-C 106.657 -1.608 . . . . 73.53 106.657 172.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.21 118.11 6.96 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.364 0.602 . . . . 75.5 112.052 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 13.4 p -91.05 136.68 32.92 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-N 115.068 -0.969 . . . . 63.51 109.021 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -150.23 135.69 18.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.841 -0.429 . . . . 72.21 109.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--N 1.309 -1.195 0 CA-C-N 116.383 -0.371 . . . . 72.53 110.641 179.036 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.302 0.572 . . . . 65.12 110.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 770' ' ' LEU . . . . . 0.471 ' O ' HD12 ' B' ' 770' ' ' LEU . 3.2 pp -93.55 136.98 33.29 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.77 -0.65 . . . . 73.52 111.068 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -169.39 94.81 0.3 Allowed 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.801 -0.636 . . . . 72.33 109.614 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.03 125.42 24.87 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.904 -0.589 . . . . 72.13 110.33 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 773' ' ' LEU . . . . . 0.452 ' H ' HD23 ' B' ' 773' ' ' LEU . 1.9 pt? -136.13 165.58 25.39 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 116.019 -0.537 . . . . 65.42 109.931 -177.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -138.8 17.81 2.67 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.334 0.588 . . . . 61.44 111.331 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 113.49 -125.87 7.16 Favored Glycine 0 N--CA 1.429 -1.797 0 CA-C-N 115.559 -0.746 . . . . 70.14 111.713 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 47.1 m -61.44 104.3 0.4 Allowed 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 123.283 0.633 . . . . 75.42 109.478 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -67.9 113.88 17.2 Favored Pre-proline 0 C--N 1.301 -1.529 0 CA-C-N 114.524 -1.216 . . . . 64.14 111.464 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -100.69 38.65 0.07 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.878 0 C-N-CA 123.236 2.624 . . . . 75.11 108.306 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -94.49 12.71 26.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.865 -1.062 . . . . 63.22 110.804 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.76 104.96 7.54 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.936 0.398 . . . . 73.51 110.351 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -107.78 145.5 33.47 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.224 -0.898 . . . . 74.53 110.524 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.638 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.1 tm? -146.65 132.05 18.6 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 107.898 -1.149 . . . . 61.23 107.898 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 783' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 783' ' ' ILE . 1.9 mp -105.04 132.06 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 109.048 -0.723 . . . . 64.44 109.048 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.454 HD12 HD22 ' A' ' 601' ' ' LEU . 18.9 pt . . . . . 0 N--CA 1.411 -2.391 0 CA-C-O 117.488 -1.244 . . . . 64.43 111.15 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.824 0 N-CA-C 111.262 -0.735 . . . . 65.1 111.262 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 580' ' ' SER . . . . . 0.576 ' O ' ' HB ' ' A' ' 583' ' ' THR . 50.8 m -138.37 135.86 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.722 -0.844 . . . . 64.14 108.722 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.74 148.21 44.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.125 -0.694 . . . . 64.21 109.125 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 76.75 29.95 56.8 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 108.145 -1.982 . . . . 65.54 108.145 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 580' ' ' SER . 12.5 t -63.07 134.92 56.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.085 0.945 . . . . 61.54 112.815 -172.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 682' ' ' ARG . 20.8 ptp180 -102.99 144.48 31.2 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.524 -1.216 . . . . 72.21 108.955 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 15.2 pt-20 -123.41 160.42 26.87 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.745 -0.835 . . . . 73.54 108.745 178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -106.27 127.71 53.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 120.717 0.294 . . . . 74.5 110.648 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.57 143.78 37.13 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.379 -0.971 . . . . 64.53 108.379 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 50.2 m -111.22 122.85 48.93 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 116.101 -0.499 . . . . 74.35 109.839 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.46 119.69 35.3 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.243 -0.651 . . . . 62.12 109.243 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -108.5 116.03 31.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.268 -0.642 . . . . 74.33 109.268 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 676' ' ' ILE . 66.2 t -105.67 116.86 59.27 Favored Pre-proline 0 C--N 1.28 -2.448 0 CA-C-N 115.2 -0.909 . . . . 65.33 109.154 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.65 148.69 47.65 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.61 1.54 . . . . 72.1 109.895 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 71.44 3.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.027 0.918 . . . . 62.13 111.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 629' ' ' ALA . 2.3 m-20 -123.77 129.39 50.99 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.207 -1.361 . . . . 50.22 108.253 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 63.29 22.39 13.29 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.866 0.841 . . . . 71.33 109.88 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.8 m -102.24 114.01 27.79 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-N 114.488 -1.233 . . . . 40.35 108.371 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 175.45 -46.57 0.13 Allowed Glycine 0 C--N 1.278 -2.654 0 N-CA-C 108.943 -1.663 . . . . 74.43 108.943 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.4 m -74.33 -29.68 61.71 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.861 0.839 . . . . 72.15 109.481 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -143.75 148.64 35.93 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 104.209 -2.515 . . . . 73.43 104.209 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -71.16 -56.78 6.67 Favored Glycine 0 C--N 1.282 -2.46 0 N-CA-C 110.528 -1.029 . . . . 65.0 110.528 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 676' ' ' ILE . 15.3 mt -115.87 -33.06 5.24 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.547 -1.279 . . . . 65.4 107.547 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.61 49.22 3.47 Favored Glycine 0 N--CA 1.4 -3.755 0 N-CA-C 109.25 -1.54 . . . . 70.43 109.25 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.0 t -139.23 153.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 106.381 -1.711 . . . . 60.3 106.381 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.0 m -113.42 135.42 53.89 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.067 -1.086 . . . . 75.34 108.067 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.407 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.0 m -124.53 162.3 26.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 121.108 0.48 . . . . 65.23 111.553 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.561 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 64.5 pttt -148.99 154.24 39.08 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 115.204 -0.907 . . . . 74.53 108.821 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.72 128.88 9.62 Favored Glycine 0 N--CA 1.411 -2.994 0 C-N-CA 119.343 -1.408 . . . . 73.24 111.585 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 620' ' ' PHE . 4.4 m-20 -99.72 121.65 41.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.775 -1.194 . . . . 61.13 107.775 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.54 ' HD3' ' OD2' ' A' ' 616' ' ' ASP . 35.6 ttp180 -129.45 148.83 51.4 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 109.745 -0.465 . . . . 74.14 109.745 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.566 ' HB3' ' OE2' ' A' ' 612' ' ' GLU . 51.3 m -114.92 96.52 5.75 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.574 -0.739 . . . . 63.32 110.728 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -44.17 73.88 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.01 1.324 . . . . 75.24 109.923 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' GLU . . . . . 0.566 ' OE2' ' HB3' ' A' ' 610' ' ' SER . 0.0 OUTLIER -64.5 -21.95 66.82 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.985 1.105 . . . . 64.11 113.985 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -105.43 -7.01 19.01 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.799 0.809 . . . . 73.25 108.913 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 62.04 20.82 11.9 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.546 1.538 . . . . 74.1 111.201 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -123.07 138.0 54.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.898 -0.501 . . . . 74.42 110.659 -175.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.54 ' OD2' ' HD3' ' A' ' 609' ' ' ARG . 2.0 m-20 -81.12 138.46 35.91 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 105.554 -2.017 . . . . 64.34 105.554 175.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.5 mt -87.98 -14.76 38.29 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.239 -1.023 . . . . 71.4 108.239 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 119.8 -171.24 14.37 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.697 -1.138 . . . . 75.25 112.572 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.19 128.16 55.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.418 -0.956 . . . . 72.43 108.418 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 80.6 m-85 -122.51 142.17 50.88 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 123.292 0.37 . . . . 65.51 110.448 -177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.4 132.94 29.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-O 121.375 0.607 . . . . 71.51 110.742 174.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.49 -40.28 5.62 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 116.332 -0.394 . . . . 72.22 111.238 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 143.48 25.73 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.218 -0.66 . . . . 72.21 109.218 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.17 133.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.596 -0.89 . . . . 72.34 108.596 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -97.55 111.95 28.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.968 -0.753 . . . . 71.24 108.968 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -75.0 113.8 12.74 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.547 -0.751 . . . . 75.03 109.458 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.93 -26.18 2.51 Favored Glycine 0 N--CA 1.429 -1.801 0 N-CA-C 109.987 -1.245 . . . . 53.02 109.987 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 158.49 34.97 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.974 -0.632 . . . . 55.14 111.623 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 594' ' ' ASN . . . -63.4 -32.19 73.55 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 111.867 0.321 . . . . 33.24 111.867 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.38 -30.0 69.68 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 121.027 0.442 . . . . 53.21 110.053 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.571 ' O ' ' HB2' ' A' ' 635' ' ' ARG . 42.3 t -78.86 -48.96 13.7 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.101 -0.954 . . . . 62.21 110.196 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.657 ' O ' ' HE2' ' A' ' 632' ' ' LYS . 0.0 OUTLIER -65.33 -52.38 54.29 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.856 -0.611 . . . . 74.23 110.354 -176.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -79.44 -53.96 6.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.196 1.184 . . . . 72.35 114.196 -170.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -101.75 -44.13 2.0 Allowed Glycine 0 C--O 1.229 -0.197 0 C-N-CA 119.273 -1.442 . . . . 31.22 114.252 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 631' ' ' SER . 32.6 ttm180 55.84 96.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.98 1.312 . . . . 62.42 112.814 -175.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 636' ' ' LEU . . . . . 0.567 ' HB3' ' OD2' ' A' ' 640' ' ' ASP . 6.0 mp -77.58 -167.72 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.237 -1.347 . . . . 72.03 110.456 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.602 ' NE ' ' HB3' ' A' ' 640' ' ' ASP . 5.0 ppt_? -131.0 148.29 52.73 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.449 0.642 . . . . 74.4 112.167 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.7 t -61.66 131.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.635 -0.711 . . . . 72.11 109.262 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 83.37 11.74 0.45 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.394 1.477 . . . . 65.41 112.59 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.602 ' HB3' ' NE ' ' A' ' 637' ' ' ARG 0.29 2.9 p30 -74.29 142.41 45.23 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 117.098 -1.841 . . . . 62.12 111.713 174.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.77 113.9 24.82 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.658 -0.701 . . . . 74.51 112.227 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.407 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -73.83 109.59 7.46 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.589 0.709 . . . . 60.13 110.396 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 651' ' ' LEU . 47.4 mm -89.89 -55.42 6.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.133 -0.939 . . . . 63.53 110.76 -175.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -139.4 145.44 38.93 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.995 -1.002 . . . . 73.14 110.655 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 678' ' ' LEU . 14.0 p -126.2 127.87 71.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 72.04 108.366 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.5 m-20 51.67 34.4 12.73 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.756 0.789 . . . . 75.41 112.371 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.55 58.61 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.907 -1.042 . . . . 73.54 113.673 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.21 125.42 35.47 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 117.751 0.775 . . . . 74.2 109.281 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.3 t -84.66 136.46 33.74 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.068 0.461 . . . . 53.0 110.244 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.6 pt? -130.82 17.42 5.18 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.943 0.877 . . . . 62.42 109.139 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 643' ' ' ILE . 4.3 tt -55.47 -31.18 61.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.792 -1.549 . . . . 71.04 111.291 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -110.14 14.72 30.97 Favored Glycine 0 N--CA 1.434 -1.447 0 C-N-CA 120.24 -0.981 . . . . 43.4 114.335 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -109.95 163.7 13.31 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.798 -1.161 . . . . 63.32 110.599 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.74 152.96 37.82 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.42 0.45 . . . . 51.54 111.309 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 13.6 m120 -55.0 -42.39 72.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.537 0.569 . . . . 70.41 112.537 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -63.29 -44.58 94.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.06 0.457 . . . . 70.41 110.123 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.25 -38.33 90.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.331 -0.85 . . . . 72.41 109.615 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -63.1 -44.01 96.87 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.645 -1.161 . . . . 33.13 111.102 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 mmt -58.4 -45.77 87.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.903 0.383 . . . . 64.15 110.52 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.43 -41.36 98.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.599 -0.728 . . . . 75.2 110.014 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.9 m -61.34 -48.9 79.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.474 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -56.81 -56.11 25.68 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 116.361 -0.381 . . . . 74.03 110.863 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.423 0.452 . . . . 74.34 111.174 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.55 -50.53 62.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.838 -0.619 . . . . 71.11 110.209 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -32.94 74.8 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 116.77 -0.195 . . . . 71.04 111.442 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -67.86 -41.69 82.5 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.07 0.462 . . . . 73.44 110.441 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 27.5 t -80.8 -48.53 12.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.569 -0.741 . . . . 75.21 110.891 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 64.6 m -76.52 -53.68 7.75 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.202 0.525 . . . . 73.31 112.144 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.56 -40.07 11.55 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.133 -0.485 . . . . 51.43 112.126 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.98 -58.71 13.15 Favored Glycine 0 C--O 1.249 1.069 0 CA-C-N 116.022 -0.535 . . . . 61.24 112.193 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -81.05 69.43 7.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.74 0.781 . . . . 73.42 109.989 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -174.67 -53.51 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 113.885 -1.507 . . . . 71.22 107.669 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -67.98 -21.85 65.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.328 -0.851 . . . . 73.12 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.73 -30.32 9.08 Favored Glycine 0 CA--C 1.5 -0.868 0 N-CA-C 110.774 -0.931 . . . . 64.53 110.774 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.8 ptp -143.93 155.42 44.05 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.257 -1.016 . . . . 61.22 108.257 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.562 HG21 HD21 ' A' ' 601' ' ' LEU . 7.3 tt -110.28 133.44 55.66 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 CA-C-N 115.7 -0.682 . . . . 74.41 109.342 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -101.91 126.0 48.72 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 115.362 -0.836 . . . . 65.41 110.237 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.2 mm? -119.38 123.79 45.0 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.629 -0.878 . . . . 63.41 108.629 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.25 117.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 106.911 -1.515 . . . . 73.13 106.911 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.28 152.91 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 110.027 -0.36 . . . . 72.21 110.027 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 681' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -113.26 146.67 38.97 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.283 0.564 . . . . 64.34 112.042 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.445 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 19.8 ptt180 -139.41 155.71 47.44 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.216 -0.902 . . . . 70.23 108.609 173.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' ARG . . . . . 0.598 ' O ' ' HG3' ' A' ' 686' ' ' ARG . 63.1 mtt180 -92.31 125.98 37.2 Favored 'General case' 0 C--N 1.285 -2.216 0 CA-C-O 121.072 0.463 . . . . 72.22 110.198 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.26 -17.74 21.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 CA-C-O 122.435 1.112 . . . . 75.03 108.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 13.6 m -83.55 4.59 27.46 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.962 -1.472 . . . . 72.2 112.27 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 683' ' ' ARG 0.272 0.1 OUTLIER -90.69 130.78 36.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 118.613 -1.235 . . . . 72.44 113.137 179.751 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 48.2 t -123.52 84.47 2.28 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.079 -1.452 . . . . 62.15 107.079 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -173.02 140.79 0.92 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.506 -0.77 . . . . 72.52 109.248 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.306 -1.305 0 N-CA-C 109.785 -0.45 . . . . 70.0 109.785 177.3 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 CA--C 1.509 -0.627 0 N-CA-C 109.68 -0.489 . . . . 75.13 109.68 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 98.9 mt -128.51 146.0 50.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 120.876 0.37 . . . . 73.21 110.498 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -111.96 -63.83 1.37 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.541 -1.281 . . . . 72.13 107.541 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 58.26 91.07 0.04 OUTLIER 'General case' 0 C--O 1.246 0.874 0 C-N-CA 125.156 1.383 . . . . 61.12 112.119 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.2 mp 62.37 98.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.367 -1.288 . . . . 75.3 111.585 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -115.99 -67.86 0.96 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.799 -1.185 . . . . 61.44 107.799 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -163.54 96.74 0.14 Allowed Glycine 0 N--CA 1.406 -3.305 0 CA-C-N 115.15 -0.932 . . . . 73.23 111.977 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 44.6 m -130.96 -176.52 4.03 Favored 'General case' 0 N--CA 1.408 -2.568 0 N-CA-C 105.772 -1.936 . . . . 41.14 105.772 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -116.02 125.46 28.59 Favored Pre-proline 0 C--N 1.278 -2.507 0 C-N-CA 120.632 -0.427 . . . . 52.41 111.412 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.16 -18.04 45.33 Favored 'Trans proline' 0 CA--C 1.512 -0.62 0 C-N-CA 123.589 2.859 . . . . 65.42 113.824 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 66.4 93.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.105 0.878 . . . . 61.25 110.759 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 780' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 0.6 OUTLIER -79.63 127.35 32.06 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.506 0.67 . . . . 74.31 110.559 176.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.4 mt-10 -117.39 132.33 56.6 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 114.422 -1.263 . . . . 72.12 110.226 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.29 131.36 38.32 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 115.455 -0.793 . . . . 73.42 110.426 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.63 125.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.12 -1.067 . . . . 64.04 108.12 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.52 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 14.1 pt . . . . . 0 N--CA 1.413 -2.32 0 CA-C-O 117.98 -1.01 . . . . 72.34 108.486 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.053 0 N-CA-C 110.643 -0.983 . . . . 71.4 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.6 m 64.66 29.8 12.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.801 0.81 . . . . 64.14 110.625 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.43 -22.75 58.99 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.738 -1.119 . . . . 73.44 110.123 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -84.67 24.85 6.19 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.475 -0.784 . . . . 61.51 113.466 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 27.9 m -81.56 -59.24 2.68 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.61 -1.255 . . . . 74.41 107.61 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -139.57 147.44 41.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.87 -1.159 . . . . 71.11 107.87 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -134.81 157.54 46.51 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 121.103 0.477 . . . . 53.14 111.151 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.29 122.5 36.9 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.233 -0.894 . . . . 75.43 110.788 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 8.0 mp -109.77 144.0 38.81 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 116.032 -0.531 . . . . 73.1 109.571 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.9 m -111.01 121.31 45.04 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 121.432 0.634 . . . . 62.15 109.552 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' PHE . . . . . 0.455 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 50.0 m-85 -117.2 119.88 36.56 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 108.558 -0.905 . . . . 51.12 108.558 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.41 121.84 46.26 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.345 0.593 . . . . 74.3 110.273 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.426 ' HB ' HG23 ' A' ' 676' ' ' ILE . 85.5 t -114.58 117.84 42.07 Favored Pre-proline 0 C--N 1.285 -2.204 0 CA-C-N 114.782 -1.099 . . . . 75.34 109.894 -172.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.73 148.56 25.74 Favored 'Trans proline' 0 N--CA 1.442 -1.534 0 C-N-CA 121.57 1.513 . . . . 53.13 111.354 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.23 84.1 1.37 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.199 -1.037 . . . . 74.42 108.199 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -105.54 -75.91 0.62 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.544 -1.207 . . . . 71.42 111.166 -177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.09 31.51 3.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.111 -1.44 . . . . 62.33 107.111 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 42.9 m -71.02 9.69 0.67 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.496 -1.229 . . . . 65.31 113.947 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.41 39.48 Favored Glycine 0 N--CA 1.426 -1.976 0 N-CA-C 111.384 -0.686 . . . . 61.32 111.384 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 56.3 p -82.62 -37.37 25.07 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.199 0.999 . . . . 63.45 109.757 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.637 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -165.54 152.29 10.1 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 103.863 -2.643 . . . . 52.04 103.863 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.18 -54.61 31.53 Favored Glycine 0 C--N 1.294 -1.799 0 N-CA-C 111.391 -0.683 . . . . 34.43 111.391 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.619 HD11 HD13 ' A' ' 676' ' ' ILE . 7.3 mp -115.01 -33.52 5.38 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 108.752 -0.833 . . . . 73.33 108.752 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 88.0 46.4 4.79 Favored Glycine 1 N--CA 1.395 -4.09 0 N-CA-C 109.269 -1.533 . . . . 43.23 109.269 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.41 151.71 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.973 0 N-CA-C 106.531 -1.655 . . . . 73.45 106.531 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 22.9 m -114.79 133.83 55.61 Favored 'General case' 0 N--CA 1.397 -3.091 0 N-CA-C 107.174 -1.417 . . . . 71.21 107.174 171.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.5 m -124.88 159.86 30.88 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.669 0 CA-C-N 115.887 -0.597 . . . . 75.44 111.247 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.496 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 21.4 pttp -148.61 152.79 37.37 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.597 -0.728 . . . . 74.31 109.53 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.0 128.45 8.41 Favored Glycine 0 C--N 1.284 -2.325 0 C-N-CA 119.248 -1.454 . . . . 44.23 113.369 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.04 139.4 39.78 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.632 -0.877 . . . . 75.44 108.632 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.486 ' HB3' ' OD1' ' A' ' 655' ' ' ASN . 18.2 ptt-85 -135.41 162.25 33.15 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 109.614 -0.513 . . . . 73.34 109.614 175.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.538 ' CB ' ' HB2' ' A' ' 614' ' ' HIS . 66.5 m -73.02 135.78 44.96 Favored 'General case' 0 C--N 1.27 -2.887 0 N-CA-C 108.834 -0.802 . . . . 72.05 108.834 172.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 774' ' ' TYR 0.423 3.1 mppt? -37.65 119.94 0.77 Allowed 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 117.426 2.38 . . . . 73.13 117.426 -165.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 75.48 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 112.491 -2.141 . . . . 72.22 107.31 -175.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -168.05 72.3 0.1 Allowed 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.57 0.7 . . . . 63.23 110.697 171.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' HIS . . . . . 0.538 ' HB2' ' CB ' ' A' ' 610' ' ' SER . 26.4 m80 -79.97 -34.95 38.26 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.651 -1.241 . . . . 64.3 107.651 169.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . 174.15 155.64 0.13 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.147 -1.797 . . . . 75.2 106.147 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.19 149.55 23.81 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 108.243 -1.021 . . . . 72.22 108.243 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.06 -1.15 37.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.483 -0.932 . . . . 74.21 108.483 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 95.34 -172.99 30.92 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.249 -1.341 . . . . 63.45 113.11 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.49 135.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.391 -0.966 . . . . 75.24 108.391 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -126.22 145.51 50.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.9 -0.408 . . . . 72.24 109.9 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 605' ' ' VAL . 58.9 t -67.81 133.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 109.763 -0.458 . . . . 74.23 109.763 173.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -42.58 4.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.05 0.452 . . . . 61.55 111.422 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 17.7 p -149.71 139.95 22.21 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.069 -0.514 . . . . 42.3 111.486 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.1 130.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.985 -0.746 . . . . 62.41 108.985 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.96 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 107.861 -1.163 . . . . 72.31 107.861 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -65.72 118.75 10.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.517 -0.765 . . . . 74.12 111.37 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.46 -15.1 22.55 Favored Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.175 -1.012 . . . . 70.4 112.213 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -69.31 165.39 49.53 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 111.227 -0.749 . . . . 61.33 111.227 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.62 89.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 122.557 -0.378 . . . . 73.02 111.334 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.89 -25.94 63.01 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.332 0.587 . . . . 74.23 109.819 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 45.8 t -71.53 -49.08 44.34 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 115.002 -0.999 . . . . 24.14 109.616 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -75.0 -52.88 10.0 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.247 0.462 . . . . 75.0 112.247 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.35 -52.38 7.75 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.552 0.575 . . . . 74.12 112.552 -176.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.74 41.71 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 120.56 -0.829 . . . . 63.14 113.383 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 58.13 36.67 26.07 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.142 0.496 . . . . 72.05 111.844 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 5.0 mp -64.09 175.74 1.17 Allowed 'General case' 0 C--O 1.256 1.446 0 CA-C-O 121.926 0.869 . . . . 64.22 111.994 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.546 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 15.9 ptt180 -115.97 169.31 9.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.013 -0.994 . . . . 71.12 109.615 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.43 146.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 106.527 -1.657 . . . . 72.44 106.527 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 84.09 -0.86 1.02 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 113.848 1.055 . . . . 71.24 113.848 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.546 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 12.7 m-20 -63.3 128.21 34.82 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 118.747 -1.181 . . . . 62.42 109.978 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.59 115.36 26.05 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.772 -0.825 . . . . 75.14 108.772 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.1 mp -72.98 117.24 14.47 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.709 0.804 . . . . 74.34 112.145 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.3 mm -97.73 -56.08 5.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.05 -0.977 . . . . 72.32 110.953 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.68 154.17 48.59 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.265 -0.88 . . . . 75.42 110.237 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.56 HG12 HD11 ' A' ' 650' ' ' LEU . 8.0 p -139.05 139.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.628 0 N-CA-C 109.007 -0.738 . . . . 74.31 109.007 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.42 ' OD1' HG22 ' A' ' 645' ' ' VAL . 17.5 m120 57.56 18.95 4.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.13 0.972 . . . . 71.24 112.407 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.05 6.91 62.89 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.738 -0.744 . . . . 42.32 112.765 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -118.85 133.25 55.96 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.795 -0.446 . . . . 72.52 109.795 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 59.6 m -88.95 137.02 32.69 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.907 0.706 . . . . 73.12 112.907 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.56 HD11 HG12 ' A' ' 645' ' ' VAL . 6.5 mp -109.28 -13.14 14.69 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 115.396 -0.82 . . . . 72.41 110.732 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.74 99.89 0.05 OUTLIER 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.044 0.84 . . . . 73.32 110.672 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 143.21 -25.57 2.19 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 115.4 -0.818 . . . . 50.31 111.606 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 18.1 ptpt -97.18 157.84 15.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.625 -0.43 . . . . 74.12 110.168 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.78 168.05 3.28 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.513 0.56 . . . . 74.21 112.513 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.486 ' OD1' ' HB3' ' A' ' 609' ' ' ARG . 13.3 m120 -60.49 -47.2 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.994 0.518 . . . . 60.05 111.608 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.8 -33.35 70.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.322 -0.399 . . . . 73.21 110.607 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.26 -40.57 97.78 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 109.394 -0.595 . . . . 74.13 109.394 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -60.5 -44.56 95.85 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.082 -0.963 . . . . 62.11 110.203 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.1 mtt -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.595 -0.275 . . . . 74.25 111.363 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.14 -33.62 75.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.322 0.649 . . . . 72.24 109.903 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 42.6 m -74.97 -51.09 14.55 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.549 -0.75 . . . . 63.21 109.703 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.637 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.0 mt -50.96 -55.7 15.98 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.581 0.752 . . . . 73.03 111.951 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -55.15 -37.78 67.4 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.282 0.563 . . . . 74.21 110.755 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -76.16 -46.84 26.59 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.255 -0.884 . . . . 74.35 111.338 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 49.9 m -60.85 -35.98 77.96 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 120.706 0.289 . . . . 72.1 111.073 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.405 0.621 . . . . 75.03 110.575 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 30.4 t -87.39 -48.9 7.6 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.476 -0.783 . . . . 54.34 110.758 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.1 m -73.61 -46.92 44.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.425 -0.352 . . . . 74.22 111.589 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.71 -45.86 7.84 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 112.079 0.4 . . . . 71.43 112.079 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -54.99 -61.86 6.91 Favored Glycine 0 C--O 1.249 1.05 0 O-C-N 123.545 0.528 . . . . 71.4 112.758 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.84 78.58 9.86 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.654 -0.818 . . . . 74.33 109.04 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 55.8 tptt 175.62 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.586 1.554 . . . . 75.3 107.885 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -95.62 -2.56 47.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.497 -0.774 . . . . 61.42 112.484 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.12 -37.23 3.12 Favored Glycine 0 C--N 1.316 -0.576 0 C-N-CA 121.071 -0.585 . . . . 65.33 113.12 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -137.72 156.26 48.19 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.974 0.416 . . . . 64.42 110.759 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.619 HD13 HD11 ' A' ' 601' ' ' LEU . 9.3 tt -111.14 133.77 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.154 0 CA-C-N 115.055 -0.975 . . . . 55.01 109.299 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -102.8 128.38 49.58 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.856 -0.611 . . . . 74.43 110.471 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.491 HD13 HG23 ' A' ' 645' ' ' VAL . 1.6 mm? -116.95 128.42 55.18 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.407 -0.59 . . . . 70.54 109.407 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 95.8 mt -114.98 118.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 N-CA-C 107.984 -1.117 . . . . 62.13 107.984 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.93 161.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 CA-C-N 115.3 -0.864 . . . . 65.33 109.951 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -109.22 125.79 52.62 Favored 'General case' 0 N--CA 1.41 -2.448 0 N-CA-C 107.984 -1.117 . . . . 75.14 107.984 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 -109.43 120.22 41.84 Favored 'General case' 0 N--CA 1.403 -2.817 0 CA-C-N 114.093 -1.412 . . . . 72.42 109.299 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.59 123.13 31.44 Favored 'General case' 0 N--CA 1.423 -1.776 0 N-CA-C 105.854 -1.906 . . . . 74.31 105.854 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.55 103.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 124.019 0.824 . . . . 73.54 110.74 -176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 38.1 p -164.07 -68.75 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.795 -1.093 . . . . 72.15 110.384 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' ARG . . . . . 0.449 ' O ' ' HD3' ' A' ' 686' ' ' ARG . 1.4 tmt_? 71.82 -34.98 0.31 Allowed 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 125.662 1.585 . . . . 65.43 110.772 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 67.4 m -65.73 147.47 53.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.882 -0.785 . . . . 55.43 108.882 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -155.47 142.35 19.03 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.041 0.448 . . . . 42.1 110.528 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.309 -1.164 0 CA-C-N 116.072 -0.513 . . . . 75.44 110.226 -179.18 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.457 -0.571 . . . . 73.3 109.457 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.11 99.0 11.06 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.613 -0.721 . . . . 73.22 109.831 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -107.29 -52.73 2.72 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.902 -0.59 . . . . 71.44 109.536 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.11 138.24 31.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.066 -0.516 . . . . 65.34 110.167 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 5.7 mp -121.96 110.24 15.59 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.275 -1.009 . . . . 64.3 108.275 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 774' ' ' TYR . . . . . 0.489 ' O ' ' HG2' ' A' ' 611' ' ' LYS . 72.0 t80 -108.1 -61.93 1.52 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.892 -0.781 . . . . 73.55 108.892 -176.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 150.16 161.65 10.02 Favored Glycine 0 N--CA 1.419 -2.486 0 N-CA-C 109.17 -1.572 . . . . 75.5 109.17 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 45.2 m -84.38 70.63 10.67 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.034 0.921 . . . . 71.34 112.262 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -140.67 126.8 11.64 Favored Pre-proline 0 C--N 1.305 -1.331 0 N-CA-C 106.209 -1.775 . . . . 72.21 106.209 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -93.63 -2.26 3.18 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.954 1.769 . . . . 74.13 112.969 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.21 92.12 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.904 -0.776 . . . . 63.02 108.904 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -56.67 136.78 54.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.348 -0.387 . . . . 75.12 110.959 -176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 34.4 mt-10 -115.98 131.35 56.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.095 0.558 . . . . 73.32 110.572 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 55.0 tp -127.17 128.33 45.96 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.452 0.701 . . . . 71.21 110.47 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.01 126.71 48.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.045 -1.094 . . . . 73.25 108.045 173.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.608 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 17.8 pt . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 117.597 -1.192 . . . . 74.43 111.391 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.999 0 N-CA-C 110.398 -1.081 . . . . 64.24 110.398 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 23.4 t -154.04 174.82 14.17 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.193 -1.04 . . . . 74.11 108.193 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 37.8 t70 60.27 90.11 0.06 Allowed 'General case' 0 C--O 1.241 0.605 0 CA-C-O 122.229 1.014 . . . . 62.41 110.93 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 146.26 91.05 0.1 Allowed Glycine 0 N--CA 1.419 -2.498 0 N-CA-C 108.384 -1.886 . . . . 70.12 108.384 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 8.9 m -78.08 70.5 4.46 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 122.027 0.918 . . . . 71.52 110.866 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -146.14 150.89 36.75 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.492 -1.231 . . . . 72.31 109.363 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.94 160.17 33.53 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.978 -0.749 . . . . 50.25 108.978 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.83 129.79 51.33 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.921 -0.582 . . . . 74.11 111.073 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 91.5 mt -118.69 131.9 56.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.673 -0.694 . . . . 72.32 110.767 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 48.8 m -107.13 122.19 46.0 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-N 114.749 -1.114 . . . . 62.45 109.221 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.31 133.7 55.67 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.54 -0.755 . . . . 75.11 109.267 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.51 127.83 55.35 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 108.712 -0.847 . . . . 73.22 108.712 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.451 ' HB ' HG23 ' A' ' 676' ' ' ILE . 66.5 t -119.61 115.73 33.65 Favored Pre-proline 0 C--N 1.281 -2.388 0 N-CA-C 107.72 -1.215 . . . . 71.12 107.72 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 57.8 Cg_endo -76.38 144.44 25.89 Favored 'Trans proline' 0 N--CA 1.422 -2.693 0 N-CA-C 108.713 -1.303 . . . . 70.52 108.713 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 87.6 mt -79.92 83.18 5.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.964 0.888 . . . . 75.15 108.765 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -66.96 -75.05 0.1 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.707 -1.588 . . . . 72.22 109.216 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.56 -73.36 0.64 Allowed 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 106.755 -1.572 . . . . 72.2 106.755 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.639 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.3 m 63.46 6.31 2.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.54 1.311 . . . . 73.24 114.54 170.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -78.19 -44.32 11.77 Favored Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 119.694 -1.241 . . . . 40.13 111.873 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -79.95 -37.67 33.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.73 0.776 . . . . 74.31 110.322 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.639 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -145.74 127.0 14.82 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.251 -1.759 . . . . 42.23 106.251 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.92 -54.3 38.04 Favored Glycine 0 CA--C 1.486 -1.778 0 O-C-N 124.214 0.946 . . . . 60.35 111.616 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 676' ' ' ILE . 11.5 mt -108.93 -27.2 9.82 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.261 -1.015 . . . . 62.51 108.261 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 79.89 48.32 6.64 Favored Glycine 0 N--CA 1.399 -3.819 0 N-CA-C 109.289 -1.524 . . . . 73.22 109.289 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.85 152.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.281 0 N-CA-C 106.403 -1.703 . . . . 74.22 106.403 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 m -113.09 137.28 51.67 Favored 'General case' 0 N--CA 1.395 -3.185 0 N-CA-C 107.048 -1.464 . . . . 63.41 107.048 172.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.2 m -123.8 162.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 CA-C-O 121.278 0.561 . . . . 72.31 111.318 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.52 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 0.1 OUTLIER -139.95 152.73 46.57 Favored 'General case' 0 C--N 1.278 -2.517 0 N-CA-C 107.339 -1.356 . . . . 71.13 107.339 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.36 117.98 5.05 Favored Glycine 0 C--N 1.269 -3.16 0 C-N-CA 119.484 -1.341 . . . . 65.35 110.075 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.556 ' ND2' HD12 ' A' ' 617' ' ' LEU . 53.2 t30 -94.76 131.94 40.06 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.75 -0.833 . . . . 74.41 108.75 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 39.3 ttp180 -134.83 125.66 27.29 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.16 -0.927 . . . . 74.54 109.054 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 35.5 m -78.67 118.02 20.37 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.122 -0.696 . . . . 72.24 109.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -77.76 -40.53 40.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.945 0.402 . . . . 62.42 110.813 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.04 -42.84 62.72 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.99 -0.55 . . . . 74.42 110.25 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.49 -13.7 59.71 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.472 0.653 . . . . 74.23 110.38 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 56.2 m80 62.46 21.55 12.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.316 1.046 . . . . 63.22 113.201 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -125.71 153.53 43.77 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.173 -0.677 . . . . 64.22 109.173 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.4 p-10 -87.04 150.76 23.81 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.998 -1.112 . . . . 75.25 107.998 177.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.556 HD12 ' ND2' ' A' ' 608' ' ' ASN . 75.6 mt -101.14 -5.18 25.99 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.265 0.555 . . . . 61.01 109.524 178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.44 -172.47 21.25 Favored Glycine 0 C--N 1.308 -1.001 0 CA-C-N 115.371 -0.831 . . . . 63.31 112.683 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -96.43 134.78 32.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 N-CA-C 108.783 -0.821 . . . . 71.33 108.783 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 84.5 m-85 -129.63 147.9 51.47 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.744 -0.465 . . . . 71.14 109.744 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.463 ' HA ' HG12 ' A' ' 605' ' ' VAL . 87.1 t -66.98 126.78 27.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-O 121.295 0.569 . . . . 74.54 110.092 172.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 623' ' ' SER . 18.7 ptmt -97.94 -44.5 6.65 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 116.323 -0.399 . . . . 75.32 110.915 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 623' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 622' ' ' LYS . 37.8 t -150.04 146.31 26.9 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 109.025 -0.731 . . . . 62.21 109.025 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.82 132.03 46.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 109.249 -0.649 . . . . 62.21 109.249 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 75.6 mt -87.54 120.91 37.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-O 121.051 0.453 . . . . 74.22 110.033 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -67.03 117.98 9.83 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.342 -0.845 . . . . 71.45 108.855 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.03 5.26 38.29 Favored Glycine 0 N--CA 1.434 -1.479 0 C-N-CA 120.768 -0.73 . . . . 74.45 111.7 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.83 22.94 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.619 -0.8 . . . . 54.1 111.328 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.24 88.49 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 117.399 0.599 . . . . 72.44 110.918 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -65.46 -25.81 67.67 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.334 -0.394 . . . . 71.13 111.221 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 93.0 p -74.98 -48.42 24.37 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 70.41 110.473 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -76.94 -50.81 12.4 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.068 0.461 . . . . 71.22 112.111 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.96 -50.9 11.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.492 0.553 . . . . 73.34 112.492 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.41 -43.77 8.36 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.62 -1.276 . . . . 51.33 113.559 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 61.91 76.72 0.36 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.857 0.837 . . . . 45.4 112.082 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.14 -170.77 2.17 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.713 -1.131 . . . . 65.54 109.695 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.623 ' NH2' ' HA ' ' A' ' 682' ' ' ARG . 23.0 ptt85 -136.26 171.3 14.68 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.221 0.534 . . . . 74.32 110.125 -176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -79.67 139.37 18.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 172.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 77.2 11.99 2.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 124.924 1.289 . . . . 72.2 112.898 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 2.7 p30 -74.81 141.34 44.32 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 117.097 -1.841 . . . . 55.14 109.645 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 119.2 32.42 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.546 -0.909 . . . . 71.5 108.546 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.435 ' HA ' HG12 ' A' ' 680' ' ' VAL . 6.6 mp -72.84 109.61 6.55 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.7 0.8 . . . . 63.41 111.058 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 651' ' ' LEU . 48.6 mm -87.46 -55.03 6.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.721 -1.127 . . . . 75.12 110.534 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -144.01 157.12 44.53 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.263 -0.88 . . . . 74.54 110.575 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 678' ' ' LEU . 15.0 p -138.07 132.6 43.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.884 -0.784 . . . . 74.04 108.884 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 52.42 23.98 2.75 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.705 1.002 . . . . 62.52 113.705 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.28 59.36 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.743 -0.662 . . . . 65.13 113.478 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.18 131.64 35.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.234 -0.568 . . . . 74.55 110.015 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 19.6 p -93.51 152.24 19.19 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 122.969 0.508 . . . . 65.53 112.086 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.417 HD23 ' HB1' ' A' ' 658' ' ' ALA . 4.1 mp -121.41 18.69 11.37 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.066 -178.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 643' ' ' ILE . 2.0 mm? -79.27 103.05 8.93 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 120.555 -0.458 . . . . 72.44 110.008 -176.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 134.65 -30.23 2.89 Favored Glycine 0 C--N 1.3 -1.447 0 C-N-CA 120.424 -0.893 . . . . 54.24 112.347 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -87.02 155.58 20.1 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.878 -0.329 . . . . 62.41 110.619 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.87 169.43 13.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.99 0.367 . . . . 61.33 111.99 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -57.08 -46.74 82.3 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.234 0.614 . . . . 73.32 111.341 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -68.08 -31.57 71.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.098 -0.501 . . . . 53.22 111.359 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.02 -38.81 63.94 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.653 -0.869 . . . . 71.21 108.653 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.417 ' HB1' HD23 ' A' ' 650' ' ' LEU . . . -59.57 -42.16 91.82 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.468 -1.242 . . . . 54.22 110.622 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 58.5 mtt -66.02 -37.39 85.76 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.882 0.697 . . . . 73.14 112.882 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.55 -38.1 89.85 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.675 -0.861 . . . . 74.02 108.675 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 84.0 m -62.63 -51.14 68.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.543 -0.753 . . . . 52.11 110.136 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.6 mt -56.44 -55.58 31.83 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.898 -0.592 . . . . 52.04 111.475 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.45 -41.87 86.13 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.96 0.41 . . . . 75.42 111.076 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.82 -46.0 87.07 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.864 -0.607 . . . . 61.41 110.28 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 52.1 m -68.28 -32.68 73.02 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 121.277 -0.169 . . . . 54.03 111.173 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 86.8 mtp -72.16 -42.05 66.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.389 -0.524 . . . . 60.23 110.274 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.4 t -73.83 -55.88 5.65 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.917 -0.583 . . . . 62.54 109.944 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.8 m -70.35 -52.43 22.65 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 112.513 0.56 . . . . 73.23 112.513 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' GLU . . . . . 0.566 ' HG3' ' HD3' ' A' ' 672' ' ' LYS . 18.3 tt0 -95.99 -17.14 21.22 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 113.681 0.993 . . . . 70.31 113.681 -173.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.59 96.7 Favored Glycine 0 C--N 1.312 -0.793 0 C-N-CA 120.06 -1.067 . . . . 63.31 110.448 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -82.12 5.68 18.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.151 0.5 . . . . 71.43 111.128 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' LYS . . . . . 0.566 ' HD3' ' HG3' ' A' ' 669' ' ' GLU . 85.5 tttt -85.78 -51.69 6.26 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.236 -0.654 . . . . 64.51 109.236 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -92.83 -23.86 18.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.059 -0.519 . . . . 74.51 111.197 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.75 74.65 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 109.567 -1.413 . . . . 60.13 109.567 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.482 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 25.5 ptt? -148.19 169.56 19.79 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 106.829 -1.545 . . . . 65.4 106.829 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 601' ' ' LEU . 6.8 tt -133.98 144.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.994 0 O-C-N 123.888 0.742 . . . . 74.24 110.573 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -105.06 137.39 42.88 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.886 -0.597 . . . . 63.23 109.794 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 645' ' ' VAL . 1.8 mm? -127.56 135.4 50.26 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.244 -0.65 . . . . 63.53 109.244 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 92.2 mt -120.37 115.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 107.713 -1.217 . . . . 63.23 107.713 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 642' ' ' LEU . 34.5 m -123.89 156.53 30.92 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.725 0 CA-C-N 115.33 -0.85 . . . . 70.04 109.784 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.22 143.21 42.34 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.448 0.642 . . . . 53.11 110.427 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.623 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 4.3 ptp180 -133.72 146.22 50.6 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.299 -0.63 . . . . 75.55 109.299 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -87.76 144.33 26.68 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 106.914 -1.513 . . . . 73.23 106.914 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.94 91.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.544 0.687 . . . . 74.3 109.679 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 39.7 m -152.14 112.04 4.02 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.113 -1.069 . . . . 50.32 108.113 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -76.36 -28.03 56.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.421 -0.955 . . . . 74.42 108.421 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 49.8 t -103.74 98.34 8.22 Favored 'General case' 0 N--CA 1.425 -1.685 0 N-CA-C 107.774 -1.195 . . . . 70.02 107.774 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -97.89 -65.0 0.99 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.914 -0.773 . . . . 70.21 108.914 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.244 0.776 0 C-N-CA 124.421 1.088 . . . . 73.02 112.704 177.108 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 CA--C 1.509 -0.622 0 N-CA-C 109.157 -0.683 . . . . 74.3 109.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 62.4 mt 61.79 87.86 0.09 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.423 1.077 . . . . 70.41 109.183 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -121.68 87.63 2.79 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.736 0.643 . . . . 65.13 112.736 -175.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -117.14 122.33 43.79 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.971 -1.492 . . . . 71.24 106.971 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 87.7 mt -94.64 126.57 40.02 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.843 -0.343 . . . . 52.31 110.555 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -78.61 -36.02 44.81 Favored 'General case' 0 CA--C 1.488 -1.435 0 N-CA-C 105.478 -2.045 . . . . 73.14 105.478 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -93.76 70.39 1.37 Allowed Glycine 1 N--CA 1.39 -4.408 0 CA-C-N 113.262 -1.79 . . . . 64.25 109.726 175.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 47.3 m -76.25 90.48 3.16 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.136 -0.69 . . . . 74.44 109.136 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.51 161.96 57.57 Favored Pre-proline 0 C--N 1.292 -1.904 0 N-CA-C 108.377 -0.971 . . . . 70.13 108.377 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 778' ' ' PRO . . . . . 0.434 ' HG2' ' OE2' ' B' ' 780' ' ' GLU . 18.7 Cg_endo -62.19 -14.5 38.4 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.557 2.172 . . . . 74.42 111.066 172.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 69.61 93.86 0.08 Allowed 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 125.454 1.502 . . . . 73.22 112.003 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 780' ' ' GLU . . . . . 0.434 ' OE2' ' HG2' ' B' ' 778' ' ' PRO . 3.1 mp0 -84.39 103.2 13.35 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.294 -0.866 . . . . 73.51 111.134 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.52 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 87.3 mt-10 -133.95 132.88 40.71 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.991 -1.004 . . . . 64.53 110.096 175.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.81 131.58 49.55 Favored 'General case' 0 N--CA 1.398 -3.033 0 CA-C-N 114.722 -1.127 . . . . 72.44 110.13 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.26 120.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 107.947 -1.131 . . . . 73.25 107.947 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.507 HD12 HD12 ' A' ' 601' ' ' LEU . 11.1 pt . . . . . 0 N--CA 1.415 -2.219 0 CA-C-O 117.629 -1.177 . . . . 74.25 111.019 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.209 0 N-CA-C 110.403 -1.079 . . . . 73.53 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 31.6 p -90.44 91.7 8.57 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.522 -1.288 . . . . 44.25 107.522 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.79 160.37 18.77 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.622 -0.717 . . . . 61.3 111.541 -173.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.406 ' O ' HD12 ' A' ' 684' ' ' ILE . . . -85.81 44.02 3.31 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.85 -0.614 . . . . 50.41 112.918 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 55.1 m -83.36 -21.09 33.21 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.579 -1.267 . . . . 65.21 107.579 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -138.21 144.34 40.59 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.941 -1.027 . . . . 71.33 109.109 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.2 151.66 42.01 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.921 -0.4 . . . . 72.34 109.921 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.12 123.06 47.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 O-C-N 123.578 0.549 . . . . 73.21 112.286 -173.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.11 139.36 49.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.086 -0.709 . . . . 74.4 109.086 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 94.1 m -108.28 122.18 46.43 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.468 -0.567 . . . . 45.31 109.468 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.83 135.05 54.38 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 109.027 -0.731 . . . . 72.34 109.027 175.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -115.24 116.4 28.27 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.655 -0.869 . . . . 75.24 108.655 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 73.1 t -116.3 119.85 35.83 Favored Pre-proline 0 C--N 1.276 -2.591 0 CA-C-N 114.065 -1.425 . . . . 71.41 111.113 -170.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 58.1 Cg_endo -71.36 148.13 54.25 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 121.198 1.265 . . . . 73.01 109.673 174.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.46 19.43 1.26 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.76 -0.588 . . . . 63.32 110.716 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 592' ' ' PRO . 8.3 t30 -60.99 -69.82 0.21 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.433 -1.258 . . . . 71.24 112.429 -176.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.43 -23.85 61.13 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.837 0.351 . . . . 74.31 111.052 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 599' ' ' ALA . 18.0 m -58.63 -65.51 0.65 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.352 -0.84 . . . . 71.12 109.695 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 65.13 -74.51 0.08 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 123.436 0.46 . . . . 65.22 113.484 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.2 m -92.13 -13.31 30.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-O 121.144 0.497 . . . . 64.33 110.286 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 596' ' ' SER . . . -116.16 175.68 5.44 Favored 'General case' 0 N--CA 1.394 -3.264 0 N-CA-C 107.012 -1.477 . . . . 75.03 107.012 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -97.32 -52.63 1.43 Allowed Glycine 0 C--N 1.26 -3.649 0 N-CA-C 109.607 -1.397 . . . . 40.32 109.607 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.629 HD23 ' HB ' ' B' ' 784' ' ' ILE . 2.5 mm? -110.4 -40.46 4.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.782 -1.192 . . . . 72.24 107.782 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.592 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.87 53.17 2.44 Favored Glycine 0 N--CA 1.398 -3.894 0 N-CA-C 107.125 -2.39 . . . . 71.54 107.125 -175.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.8 t -140.99 153.03 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 106.97 -1.493 . . . . 45.14 106.97 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 622' ' ' LYS . 32.5 m -108.83 134.24 51.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 106.879 -1.526 . . . . 72.04 106.879 172.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 621' ' ' VAL . 6.1 m -124.61 165.86 20.94 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.885 0 CA-C-O 121.313 0.578 . . . . 74.35 111.74 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.632 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 65.2 pttt -149.54 153.12 36.67 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 114.661 -1.154 . . . . 51.22 109.075 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.25 130.12 10.09 Favored Glycine 0 C--N 1.273 -2.932 0 C-N-CA 119.153 -1.499 . . . . 55.22 110.842 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.582 ' ND2' HD12 ' A' ' 617' ' ' LEU . 54.5 t30 -103.29 129.45 50.29 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.625 -0.879 . . . . 64.33 108.625 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.443 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 14.2 ttm180 -128.67 129.79 46.32 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 108.775 -0.824 . . . . 73.22 108.775 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 39.7 m -88.92 92.07 9.08 Favored 'General case' 0 N--CA 1.406 -2.629 0 N-CA-C 106.484 -1.673 . . . . 44.25 106.484 172.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 611' ' ' LYS . 0.5 OUTLIER -70.26 -41.38 73.56 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 123.308 0.643 . . . . 74.33 110.591 -172.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.51 -28.27 65.9 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.69 0.757 . . . . 70.11 109.83 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -79.58 -26.5 41.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.15 -0.932 . . . . 71.34 109.338 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 44.2 m80 72.46 31.42 1.78 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.008 1.323 . . . . 74.43 111.729 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -143.39 135.16 26.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.45 -0.795 . . . . 53.12 109.692 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.5 m-20 -80.65 152.49 28.44 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.005 -1.109 . . . . 71.3 108.005 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' LEU . . . . . 0.582 HD12 ' ND2' ' A' ' 608' ' ' ASN . 58.3 mt -100.04 -5.17 28.48 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.698 0.761 . . . . 75.45 109.373 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.1 -176.16 24.42 Favored Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 115.008 -0.996 . . . . 72.03 111.916 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.426 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.1 mm -91.97 132.55 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.945 -1.131 . . . . 72.0 107.945 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.1 m-85 -122.76 149.94 43.45 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 120.746 0.308 . . . . 74.1 110.58 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.567 ' HA ' HG12 ' A' ' 605' ' ' VAL . 94.2 t -65.13 119.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 CA-C-O 122.322 1.058 . . . . 75.45 110.351 173.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 604' ' ' SER . 70.9 tttt -83.32 -60.17 2.23 Favored 'General case' 0 C--N 1.26 -3.318 0 CA-C-N 113.74 -1.573 . . . . 74.12 109.847 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 24.0 t -151.7 155.39 38.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.407 -0.96 . . . . 74.24 108.407 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -98.59 135.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 117.688 0.222 . . . . 70.13 110.549 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.592 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.1 mt -91.34 117.15 34.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.76 -0.83 . . . . 65.51 108.76 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -74.42 122.75 23.48 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.772 -0.649 . . . . 70.1 110.324 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.94 14.56 Favored Glycine 0 C--N 1.297 -1.589 0 N-CA-C 110.116 -1.194 . . . . 50.34 110.116 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -71.72 145.82 39.17 Favored Glycine 0 N--CA 1.438 -1.231 0 N-CA-C 111.247 -0.741 . . . . 74.23 111.247 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.01 69.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.707 0.289 . . . . 64.11 111.452 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.401 ' HA ' ' CG2' ' A' ' 591' ' ' VAL . . . -65.0 -27.74 69.04 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-O 121.105 0.479 . . . . 72.23 110.764 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 33.2 t -77.71 -43.03 32.36 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.467 -0.788 . . . . 74.15 109.764 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.73 -52.86 10.43 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.401 -0.52 . . . . 64.25 111.824 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.34 -52.56 7.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.043 0.449 . . . . 72.25 111.85 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -79.08 -43.75 10.49 Favored Glycine 0 CA--C 1.496 -1.124 0 C-N-CA 120.156 -1.021 . . . . 71.02 114.002 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 67.56 89.29 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.764 0.792 . . . . 72.31 109.816 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.9 177.13 5.05 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.276 -0.875 . . . . 74.25 110.736 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.421 HH21 ' NE ' ' A' ' 682' ' ' ARG . 0.0 OUTLIER -140.65 155.86 46.4 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.212 -0.449 . . . . 55.44 111.942 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 91.4 t -70.08 137.87 23.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.55 -0.75 . . . . 74.41 110.18 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 75.31 16.58 2.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.022 1.329 . . . . 51.01 110.59 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 58.9 t0 -77.5 137.03 38.41 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.661 -1.237 . . . . 73.21 107.661 175.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 114.32 27.13 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 118.301 0.5 . . . . 63.32 110.92 -172.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.43 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.6 mp -74.51 120.67 20.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.299 1.04 . . . . 61.24 111.63 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.2 mm -100.95 -53.3 7.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.849 -0.614 . . . . 65.55 112.05 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -137.75 156.11 48.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.649 -0.705 . . . . 64.43 111.571 -174.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.412 HG23 HD11 ' A' ' 676' ' ' ILE . 7.4 p -136.4 123.82 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.262 -0.881 . . . . 53.44 110.728 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.583 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.8 m-20 51.72 29.29 5.6 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.754 1.39 . . . . 63.33 114.754 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.28 62.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.641 -0.79 . . . . 71.45 112.722 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -93.06 125.13 37.5 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.371 -0.974 . . . . 73.11 108.371 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -98.43 129.71 45.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.342 -0.614 . . . . 72.52 109.342 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.8 pt? -125.72 10.66 7.78 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.291 0.849 . . . . 75.23 113.291 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 62.6 tp -77.76 84.12 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.342 -0.943 . . . . 64.42 110.197 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 169.17 36.46 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.013 -0.994 . . . . 54.24 110.739 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -159.12 167.02 30.23 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.847 -0.798 . . . . 74.34 108.847 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.437 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -64.46 157.01 27.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.667 0.604 . . . . 74.53 111.645 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.443 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 14.0 m120 -50.81 -47.33 59.97 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.458 0.703 . . . . 64.31 112.416 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.65 -37.59 86.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.371 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.56 -38.76 81.04 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.782 0.801 . . . . 72.24 109.343 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.75 76.32 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.505 -1.225 . . . . 75.13 109.93 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.15 -37.5 83.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.153 0.427 . . . . 62.3 112.153 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.82 -37.9 83.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.361 0.601 . . . . 54.14 109.958 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 57.9 m -76.77 -48.25 19.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.547 -0.751 . . . . 71.41 109.485 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.676 ' O ' ' HG3' ' A' ' 666' ' ' MET . 64.8 tp -56.23 -56.09 25.3 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.666 1.187 . . . . 73.31 112.754 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -58.98 -35.96 74.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.395 0.617 . . . . 74.44 110.442 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.75 -48.01 56.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.579 -0.737 . . . . 54.31 110.941 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 73.0 m -67.63 -27.32 66.78 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 111.696 0.258 . . . . 71.44 111.696 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 89.3 mtp -64.67 -41.87 95.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.045 0.45 . . . . 75.3 110.193 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 25.4 t -88.03 -49.75 6.84 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.668 -0.696 . . . . 60.05 110.866 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 62.0 m -73.42 -46.44 48.57 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.085 0.469 . . . . 64.01 111.113 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 672' ' ' LYS . 42.5 mt-10 -93.15 -1.57 56.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.159 0.429 . . . . 71.1 112.159 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -82.93 -42.75 7.98 Favored Glycine 0 CA--C 1.497 -1.083 0 N-CA-C 110.044 -1.222 . . . . 70.22 110.044 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.52 -18.49 65.36 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.819 0.848 . . . . 73.42 112.342 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 63.5 pttt -72.9 -26.41 61.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.209 0.528 . . . . 73.11 110.936 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -110.72 -48.3 3.15 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.613 0.72 . . . . 73.43 110.576 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 110.24 -9.88 31.18 Favored Glycine 0 C--N 1.305 -1.155 0 N-CA-C 108.376 -1.89 . . . . 72.32 108.376 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.519 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.8 ptp -135.43 150.61 49.91 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 113.736 -1.232 . . . . 71.3 108.936 177.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.583 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 4.7 tt -110.97 132.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.653 0 CA-C-N 115.04 -0.982 . . . . 74.22 110.962 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.67 126.51 45.71 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 114.332 -1.304 . . . . 60.51 109.122 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 678' ' ' LEU . 1.0 OUTLIER -131.12 128.32 39.89 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-O 121.08 0.466 . . . . 74.02 111.6 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.2 mp -103.37 124.11 57.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.051 -1.463 . . . . 70.32 107.051 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.37 152.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 N-CA-C 109.06 -0.718 . . . . 72.45 109.06 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -119.83 125.79 49.41 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 116.026 -0.534 . . . . 74.44 111.441 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.421 ' NE ' HH21 ' A' ' 637' ' ' ARG . 1.2 ptp180 -108.29 148.92 29.33 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.504 -1.295 . . . . 61.13 107.504 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -84.57 136.98 33.56 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.228 -0.656 . . . . 74.24 109.228 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 582' ' ' GLY . 55.1 mt -78.76 93.33 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-O 121.61 0.719 . . . . 62.54 111.518 -176.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.3 m -178.21 -82.34 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 127.979 2.512 . . . . 64.23 106.902 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -161.78 156.85 23.34 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.277 -2.12 . . . . 74.41 105.277 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 13.7 t -102.51 96.83 7.17 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 107.513 -1.292 . . . . 74.21 107.513 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -80.99 125.98 30.83 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.198 -0.91 . . . . 51.33 111.298 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.817 -0.629 . . . . 74.1 110.789 178.862 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 121.847 0.832 . . . . 72.42 109.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.37 105.67 15.73 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.782 -1.099 . . . . 72.21 108.649 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -158.42 101.41 1.7 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.893 -0.594 . . . . 73.14 109.893 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.41 118.19 19.63 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 116.014 -0.539 . . . . 71.1 110.679 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 5.6 tt -96.88 108.89 21.67 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.265 -1.754 . . . . 65.33 106.265 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -148.26 -62.47 0.25 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.296 -0.411 . . . . 73.12 110.813 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -170.5 78.82 0.1 OUTLIER Glycine 0 N--CA 1.434 -1.472 0 C-N-CA 120.381 -0.914 . . . . 71.4 112.233 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 776' ' ' SER . . . . . 0.507 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 48.9 m -151.31 175.14 12.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 107.013 -1.476 . . . . 62.22 107.013 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.82 109.93 26.22 Favored Pre-proline 0 C--N 1.292 -1.909 0 CA-C-O 120.902 0.382 . . . . 74.5 110.417 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 778' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' B' ' 776' ' ' SER . 84.4 Cg_endo -100.22 -11.82 0.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.012 1.808 . . . . 71.32 113.593 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -165.76 22.33 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.642 -0.873 . . . . 42.43 108.642 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 780' ' ' GLU . . . . . 0.402 ' OE2' ' HB2' ' A' ' 655' ' ' ASN . 44.2 mt-10 -108.18 31.91 5.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.953 0.882 . . . . 71.32 112.009 -172.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.632 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 77.0 mt-10 -107.62 135.17 49.51 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.238 -1.347 . . . . 72.4 109.851 168.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 50.7 tp -137.47 134.46 35.8 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 116.012 -0.54 . . . . 54.25 111.082 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.9 123.63 48.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.854 -0.795 . . . . 55.55 108.854 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.629 ' HB ' HD23 ' A' ' 601' ' ' LEU . 16.4 pt . . . . . 0 N--CA 1.424 -1.729 0 CA-C-O 118.137 -0.935 . . . . 71.23 110.944 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.904 0 N-CA-C 110.212 -1.155 . . . . 54.14 110.212 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.8 m -87.47 129.96 34.87 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 117.521 0.661 . . . . 70.12 109.824 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.55 153.55 42.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.845 -0.428 . . . . 52.05 109.845 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -97.39 30.66 8.8 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.972 -0.632 . . . . 61.52 113.333 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 19.9 m -76.49 -47.41 22.92 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.419 -1.696 . . . . 72.3 106.419 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -143.0 135.99 27.99 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.593 -1.632 . . . . 75.03 106.593 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -110.33 145.89 36.68 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 120.21 -0.596 . . . . 74.41 110.221 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' ' 643' ' ' ILE . 4.6 m-30 -95.3 136.18 35.98 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.455 -0.793 . . . . 74.33 111.43 -174.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.82 154.22 31.1 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.83 -1.174 . . . . 72.43 107.83 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 31.7 m -116.07 122.47 45.24 Favored 'General case' 0 C--N 1.287 -2.13 0 C-N-CA 120.117 -0.633 . . . . 73.44 110.33 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' PHE . . . . . 0.535 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 51.5 m-85 -123.84 119.33 29.36 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 109.576 -0.528 . . . . 71.42 109.576 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.48 ' HG2' ' HG3' ' A' ' 677' ' ' GLN . 44.9 mt-10 -106.77 130.82 54.42 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.994 -0.743 . . . . 74.52 108.994 176.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 630' ' ' ALA . 94.8 t -120.08 117.6 32.0 Favored Pre-proline 0 C--N 1.281 -2.403 0 CA-C-N 115.631 -0.713 . . . . 72.14 110.279 -172.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 73.0 Cg_endo -73.98 148.44 40.29 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.721 1.614 . . . . 63.44 111.409 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 65.77 2.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.854 0.835 . . . . 45.13 110.402 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 5.3 m-20 -102.19 -71.92 0.7 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.475 -1.239 . . . . 64.41 110.161 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.06 50.99 1.84 Allowed 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.74 0.781 . . . . 75.32 109.464 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 14.1 m -115.97 112.13 21.38 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-N 114.614 -1.175 . . . . 74.44 108.716 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -177.03 -50.44 0.06 OUTLIER Glycine 0 N--CA 1.419 -2.491 0 N-CA-C 110.092 -1.203 . . . . 41.41 110.092 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.9 m -86.67 -22.74 25.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.986 0.898 . . . . 55.41 108.765 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -156.15 162.43 40.22 Favored 'General case' 0 N--CA 1.402 -2.862 0 N-CA-C 104.9 -2.259 . . . . 71.51 104.9 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -84.2 -58.02 2.27 Favored Glycine 0 C--N 1.28 -2.581 0 N-CA-C 110.781 -0.928 . . . . 74.54 110.781 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 676' ' ' ILE . 6.3 mp -102.28 -28.28 12.36 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.259 -1.015 . . . . 71.42 108.259 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 81.05 51.2 4.83 Favored Glycine 0 N--CA 1.404 -3.436 0 N-CA-C 109.329 -1.508 . . . . 55.23 109.329 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 621' ' ' VAL . 46.6 t -134.66 150.98 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 N-CA-C 107.278 -1.379 . . . . 71.51 107.278 177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 26.1 m -110.23 132.19 54.39 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 106.392 -1.707 . . . . 61.12 106.392 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 642' ' ' LEU . 4.1 m -124.25 159.06 30.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.417 0 CA-C-O 121.402 0.62 . . . . 71.0 111.724 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.493 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 64.3 pttt -149.13 153.01 37.1 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 115.114 -0.948 . . . . 71.43 109.925 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -110.89 134.67 12.33 Favored Glycine 0 C--N 1.265 -3.409 0 C-N-CA 119.981 -1.104 . . . . 13.23 110.756 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -103.5 127.16 50.95 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.847 -1.168 . . . . 71.23 107.847 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -124.12 128.91 49.97 Favored 'General case' 0 C--N 1.27 -2.876 0 N-CA-C 109.819 -0.437 . . . . 70.53 109.819 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 46.1 m -91.66 96.69 10.59 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.273 -1.01 . . . . 45.11 108.273 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -63.32 -37.45 87.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.142 0.496 . . . . 72.05 111.481 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' GLU . . . . . 0.467 ' HB3' ' CE2' ' B' ' 774' ' ' TYR . 0.0 OUTLIER -74.96 -35.09 62.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.753 0.649 . . . . 74.01 112.753 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.75 -13.95 57.11 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.612 0.72 . . . . 73.25 109.897 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 40.3 m80 65.2 25.06 12.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.05 0.94 . . . . 62.44 111.739 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -135.16 139.71 44.81 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.901 -0.591 . . . . 55.24 110.381 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.75 146.54 29.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.194 -1.039 . . . . 73.53 108.194 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.2 -6.36 44.92 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.783 -0.821 . . . . 62.42 108.783 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 101.29 -179.6 28.35 Favored Glycine 0 N--CA 1.426 -1.97 0 CA-C-N 114.565 -1.198 . . . . 42.24 112.687 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 43.6 mm -91.34 126.8 43.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.491 -0.929 . . . . 74.34 108.491 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.0 m-85 -118.77 150.12 40.33 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 122.836 0.454 . . . . 72.53 110.679 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' A' ' 603' ' ' VAL . 93.3 t -71.77 130.87 35.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.569 -0.741 . . . . 72.02 109.997 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -88.08 -64.55 1.13 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.875 -0.787 . . . . 74.41 108.875 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 22.5 p -149.38 157.56 43.42 Favored 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 114.209 -1.36 . . . . 73.3 109.606 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.445 HD13 HG22 ' A' ' 638' ' ' VAL . 1.0 OUTLIER -94.64 134.7 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 C-N-CA 123.409 0.684 . . . . 74.32 110.4 176.111 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.68 115.16 28.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 106.739 -1.578 . . . . 72.14 106.739 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -50.91 -32.09 19.6 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.133 1.161 . . . . 64.23 114.133 -173.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -93.93 42.79 2.48 Favored Glycine 0 C--N 1.299 -1.517 0 C-N-CA 121.268 -0.492 . . . . 74.12 111.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -126.79 152.75 18.63 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.893 -0.883 . . . . 50.3 110.893 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 112.478 0.547 . . . . 74.43 112.478 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' A' ' 591' ' ' VAL . . . -72.92 -26.75 61.51 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-O 121.976 0.893 . . . . 72.41 109.443 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.3 m -76.28 -52.27 10.32 Favored 'General case' 0 C--N 1.275 -2.666 0 CA-C-N 113.721 -1.581 . . . . 73.42 109.685 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.51 -51.63 14.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.629 0.603 . . . . 65.22 112.629 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.81 -51.44 9.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.041 0.448 . . . . 74.31 111.832 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -78.85 -32.05 41.89 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.179 -0.918 . . . . 75.24 115.194 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.18 35.13 18.59 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.399 -1.334 . . . . 75.35 107.399 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 3.0 tt -56.37 129.54 40.95 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.826 0.822 . . . . 75.23 111.142 -171.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.792 ' HD3' ' OD2' ' A' ' 640' ' ' ASP . 7.1 ptm180 -54.63 -26.2 31.43 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 118.419 2.748 . . . . 72.01 118.419 -167.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 638' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 70.0 t 75.65 145.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 118.504 0.593 . . . . 71.51 112.159 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.59 26.28 15.98 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.691 1.596 . . . . 73.44 109.656 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.902 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 13.0 t70 -96.04 157.57 15.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 CA-C-N 114.648 -1.16 . . . . 63.04 108.416 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.94 117.83 35.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.835 -0.802 . . . . 61.43 108.835 -176.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.416 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.2 mp -72.39 109.91 6.43 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.518 0.727 . . . . 72.43 111.082 -176.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.588 HG23 HD21 ' A' ' 651' ' ' LEU . 47.5 mm -86.93 -64.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.372 -0.831 . . . . 74.23 111.659 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.574 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -123.4 142.53 50.88 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.613 0.598 . . . . 61.34 112.613 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.95 119.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.494 -0.775 . . . . 53.34 109.22 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 677' ' ' GLN . 86.6 m-20 53.07 24.57 3.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.809 0.814 . . . . 73.5 112.362 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 116.7 -33.91 4.88 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-N 114.888 -1.051 . . . . 55.43 113.99 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 644' ' ' ALA . 11.9 pt-20 -90.55 131.59 36.19 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 115.003 1.483 . . . . 63.44 115.003 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.1 m -81.25 137.82 35.81 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.438 -1.256 . . . . 63.12 110.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.495 HD13 ' HB1' ' A' ' 658' ' ' ALA . 83.5 mt -100.39 17.13 22.31 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.0 0.52 . . . . 71.31 111.364 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 643' ' ' ILE . 2.9 mm? -84.05 -1.57 55.07 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.677 0.621 . . . . 74.22 112.677 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -105.99 16.68 42.57 Favored Glycine 0 C--N 1.308 -0.988 0 C-N-CA 120.755 -0.736 . . . . 70.44 111.61 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 657' ' ' GLU . 6.1 ptpp? -150.76 159.1 44.75 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 122.815 0.446 . . . . 53.42 109.797 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.06 170.65 15.02 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.197 0.311 . . . . 74.14 111.025 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -52.35 -47.51 66.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.753 0.821 . . . . 62.31 112.156 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 65.0 tt0 -63.52 -46.76 84.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.358 -0.383 . . . . 62.25 110.861 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 653' ' ' LYS . 33.8 mm-40 -61.14 -39.45 90.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.586 0.707 . . . . 72.13 109.269 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 650' ' ' LEU . . . -59.78 -47.77 84.36 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 114.807 -1.088 . . . . 73.41 109.839 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.2 mtt -60.13 -43.74 95.43 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 112.086 0.402 . . . . 62.31 112.086 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 43.6 mm-40 -61.41 -41.81 97.74 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.043 0.449 . . . . 61.32 110.452 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 46.3 m -70.72 -43.01 69.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.82 -0.627 . . . . 75.21 109.31 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 43.0 tp -55.18 -54.0 48.89 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.198 0.999 . . . . 73.32 111.398 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -56.72 -36.0 69.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.884 0.373 . . . . 72.52 111.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.22 -50.26 14.94 Favored 'General case' 0 C--O 1.205 -1.287 0 CA-C-N 116.331 -0.395 . . . . 73.3 110.943 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -28.43 65.79 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 113.0 0.741 . . . . 71.2 113.0 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.53 ' SD ' HG22 ' B' ' 784' ' ' ILE . 23.9 ptm -72.46 -30.08 64.25 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.047 -0.661 . . . . 70.33 110.274 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.5 -50.49 5.59 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 116.131 -0.486 . . . . 54.24 110.885 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 23.0 m -72.95 -50.02 25.83 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 120.771 0.32 . . . . 74.41 111.202 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -28.06 29.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.36 -0.382 . . . . 72.32 111.345 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 666' ' ' MET . . . -57.46 -60.2 9.44 Favored Glycine 0 CA--C 1.51 -0.269 0 CA-C-N 116.139 -0.482 . . . . 64.03 113.526 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -72.89 -15.36 61.59 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.227 0.537 . . . . 73.43 111.515 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -75.02 -45.3 42.75 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.19 -0.67 . . . . 70.4 109.19 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -71.09 -30.91 67.15 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.309 -0.86 . . . . 74.02 110.885 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 97.55 -22.78 38.98 Favored Glycine 0 C--O 1.246 0.844 0 N-CA-C 109.863 -1.295 . . . . 65.22 109.863 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.432 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 26.6 ptt? -148.05 160.93 42.35 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.336 -1.357 . . . . 65.33 107.336 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.544 HD13 HD11 ' A' ' 601' ' ' LEU . 7.7 tt -110.1 132.06 59.41 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.059 0 CA-C-O 121.523 0.678 . . . . 71.24 109.675 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' GLN . . . . . 0.48 ' HG3' ' HG2' ' A' ' 590' ' ' GLU . 63.5 tt0 -99.98 127.37 46.19 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.046 -0.979 . . . . 75.31 109.981 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.2 mm? -127.64 127.56 43.99 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.732 -0.84 . . . . 71.41 108.732 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 1.9 mp -103.23 126.89 57.52 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.777 0 N-CA-C 104.894 -2.262 . . . . 71.11 104.894 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.902 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 30.9 m -122.53 164.96 19.08 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.401 0 N-CA-C 109.089 -0.708 . . . . 72.34 109.089 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.48 130.93 28.92 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.097 0.475 . . . . 60.22 111.047 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -109.03 143.45 38.33 Favored 'General case' 0 N--CA 1.421 -1.896 0 C-N-CA 119.702 -0.799 . . . . 71.12 110.824 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -90.51 127.42 36.23 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.447 -0.797 . . . . 74.1 109.062 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 71.7 mt -75.26 -34.36 30.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 122.085 0.945 . . . . 74.43 109.227 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 32.4 m -86.34 90.64 8.25 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 114.294 -1.321 . . . . 73.0 109.428 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.8 104.75 0.8 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.374 -1.713 . . . . 75.22 106.374 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.41 115.6 19.14 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.394 -0.965 . . . . 65.35 108.394 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.22 106.64 4.49 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.26 -1.015 . . . . 63.13 108.26 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 115.695 -0.684 . . . . 70.35 110.057 -176.349 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.242 0.694 0 CA-C-O 120.718 0.294 . . . . 74.13 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 3.2 tt -147.66 114.68 6.16 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.141 -1.8 . . . . 73.42 106.141 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -117.76 -19.46 9.28 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.059 0.763 . . . . 62.41 113.059 -175.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.52 111.8 24.25 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.962 0.41 . . . . 74.44 110.387 -176.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.56 144.72 45.89 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.62 0.6 . . . . 62.51 112.62 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 774' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 612' ' ' GLU . 50.0 t80 88.71 -31.08 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.288 0 C-N-CA 125.539 1.536 . . . . 72.43 112.459 163.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -154.38 177.34 31.8 Favored Glycine 1 N--CA 1.394 -4.129 0 C-N-CA 117.836 -2.126 . . . . 52.22 114.231 177.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 776' ' ' SER . . . . . 0.441 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 51.1 m 56.9 81.77 0.13 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.666 1.187 . . . . 73.43 110.541 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.58 99.51 33.84 Favored Pre-proline 0 C--N 1.308 -1.21 0 CA-C-N 115.641 -0.709 . . . . 73.15 111.948 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 778' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' B' ' 776' ' ' SER . 65.4 Cg_endo -102.72 25.26 0.12 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.345 2.697 . . . . 61.34 108.86 172.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -71.44 -19.82 62.19 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.157 -1.383 . . . . 64.25 112.969 -172.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -98.83 119.23 37.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.622 0.725 . . . . 71.41 111.31 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 22.4 mt-10 -130.3 145.64 51.8 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 124.304 1.042 . . . . 71.12 110.933 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.9 tp -144.41 142.05 30.07 Favored 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 123.457 0.703 . . . . 74.05 109.399 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 3.2 mp -101.71 137.42 29.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.571 -0.9 . . . . 74.23 108.571 170.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' A' ' 666' ' ' MET . 11.4 pt . . . . . 0 N--CA 1.425 -1.704 0 CA-C-O 117.709 -1.138 . . . . 63.12 111.577 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.788 0 N-CA-C 111.022 -0.831 . . . . 42.52 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.3 t 64.24 95.31 0.05 OUTLIER 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.77 0.828 . . . . 33.41 110.855 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -147.82 -49.51 0.17 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.332 -0.849 . . . . 73.2 110.663 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -136.19 31.0 2.66 Favored Glycine 0 N--CA 1.429 -1.775 0 C-N-CA 118.557 -1.783 . . . . 71.22 116.146 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 31.8 m -76.58 -31.69 57.66 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.399 -1.704 . . . . 73.54 106.399 173.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -130.03 159.16 37.57 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 104.144 -2.539 . . . . 72.14 104.144 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -124.01 143.26 50.52 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 118.954 -1.098 . . . . 73.12 111.25 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 643' ' ' ILE . 7.4 m-30 -90.96 143.42 26.74 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.589 -0.732 . . . . 74.21 110.325 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.08 129.67 48.42 Favored 'General case' 0 C--N 1.275 -2.646 0 N-CA-C 107.203 -1.406 . . . . 61.32 107.203 176.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' THR . . . . . 0.445 ' HB ' HG13 ' A' ' 679' ' ' ILE 0.253 10.3 t -116.17 124.73 51.03 Favored 'General case' 0 C--N 1.257 -3.422 0 C-N-CA 118.735 -1.186 . . . . 75.42 111.412 177.275 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -110.98 133.65 53.22 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.783 -1.099 . . . . 64.24 109.034 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.407 ' HB3' ' HE2' ' A' ' 675' ' ' MET . 46.4 mt-10 -109.07 128.1 54.69 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.319 -0.623 . . . . 43.1 109.319 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.487 ' HB ' HG23 ' A' ' 676' ' ' ILE . 40.5 t -121.68 121.52 28.23 Favored Pre-proline 0 C--N 1.291 -1.951 0 CA-C-N 115.266 -0.879 . . . . 74.44 108.658 -172.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.442 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 96.0 Cg_endo -79.49 135.81 12.01 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 120.968 1.112 . . . . 52.23 111.123 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.28 75.23 5.85 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.94 0.876 . . . . 65.15 109.364 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 19.1 m120 -128.66 -60.7 1.09 Allowed 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.351 -1.295 . . . . 73.42 111.509 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.29 73.65 1.05 Allowed 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.003 0.906 . . . . 75.31 110.573 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 49.5 m -154.38 19.19 0.48 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.919 -1.491 . . . . 75.22 108.177 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.89 77.49 Favored Glycine 0 C--N 1.305 -1.165 0 CA-C-N 114.735 -1.12 . . . . 43.21 110.328 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 25.9 m -70.73 -16.81 62.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.875 -0.663 . . . . 54.43 110.246 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -139.42 -80.86 0.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.442 0.639 . . . . 72.13 111.32 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -177.31 -62.06 0.06 OUTLIER Glycine 0 C--N 1.286 -2.234 0 N-CA-C 106.474 -2.65 . . . . 61.54 106.474 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.486 HD21 HG21 ' A' ' 676' ' ' ILE . 19.8 mt -122.33 -39.42 2.57 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 106.273 -1.751 . . . . 71.12 106.273 167.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 101.57 46.8 1.61 Allowed Glycine 0 N--CA 1.403 -3.561 0 CA-C-N 113.739 -1.573 . . . . 65.54 110.692 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.9 t -137.58 152.51 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 N-CA-C 107.05 -1.463 . . . . 55.05 107.05 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 38.4 m -112.56 134.0 54.32 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.337 -1.357 . . . . 64.33 107.337 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.51 HG11 ' CD2' ' A' ' 642' ' ' LEU . 5.0 m -127.5 158.91 38.64 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 CA-C-O 121.202 0.525 . . . . 63.14 111.524 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.53 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 23.3 pttm -148.73 151.59 35.14 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.368 -0.833 . . . . 64.23 109.721 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.55 145.36 15.91 Favored Glycine 0 N--CA 1.416 -2.684 0 C-N-CA 119.845 -1.169 . . . . 53.04 110.959 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -116.12 132.41 56.67 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.816 -1.55 . . . . 73.13 106.816 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.651 ' HG3' ' ND2' ' A' ' 655' ' ' ASN . 57.9 mtm180 -116.77 151.1 37.16 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 112.724 0.639 . . . . 73.15 112.724 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 38.9 m -77.54 174.78 10.5 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.864 -1.062 . . . . 75.11 109.993 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 611' ' ' LYS . 0.5 OUTLIER -57.65 119.19 6.17 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.87 -0.604 . . . . 70.4 111.874 -172.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 66.57 19.71 10.83 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 114.371 -1.286 . . . . 54.04 108.668 172.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 61.9 t30 59.21 43.56 16.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 114.124 -1.398 . . . . 71.45 110.202 -176.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -69.74 -14.25 62.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.63 0.728 . . . . 73.23 109.348 171.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -169.94 166.55 9.35 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 107.022 -1.473 . . . . 73.1 107.022 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -120.66 152.53 38.09 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 106.966 -1.494 . . . . 71.14 106.966 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.17 -11.67 23.99 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.429 -0.582 . . . . 64.13 109.429 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 99.31 -175.08 27.93 Favored Glycine 0 C--N 1.309 -0.919 0 CA-C-N 115.042 -0.981 . . . . 75.43 112.836 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.3 mm -91.66 126.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 C-N-CA 122.964 0.505 . . . . 43.33 109.716 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.1 m-85 -120.26 151.32 39.34 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 116.124 -0.489 . . . . 64.41 110.045 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.426 ' HA ' HG12 ' A' ' 605' ' ' VAL . 57.7 t -71.22 136.25 26.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 116.236 -0.438 . . . . 73.33 109.878 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.88 -37.72 5.32 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.138 0.494 . . . . 74.33 110.908 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 32.9 t -150.51 144.16 25.17 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 109.419 -0.585 . . . . 71.24 109.419 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -102.36 129.17 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 108.154 -1.054 . . . . 72.32 108.154 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.7 mt -93.51 113.08 27.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 121.297 0.57 . . . . 62.4 109.648 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -80.5 86.78 5.76 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.651 0.739 . . . . 73.13 110.501 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 178.04 -32.04 0.07 OUTLIER Glycine 0 C--N 1.295 -1.744 0 N-CA-C 110.144 -1.183 . . . . 63.43 110.144 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.31 40.67 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.578 -0.82 . . . . 52.21 111.617 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.12 65.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 54.22 111.058 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.11 -26.83 68.72 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.407 0.622 . . . . 75.13 110.7 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 44.3 t -77.84 -47.29 19.19 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.317 -0.856 . . . . 70.41 109.869 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -49.9 21.75 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.111 -0.495 . . . . 74.41 111.576 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.18 -43.02 29.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 111.953 0.353 . . . . 74.45 111.953 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -84.31 -43.53 6.97 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 119.823 -1.18 . . . . 73.33 114.354 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 635' ' ' ARG . 2.3 mmp_? 54.54 74.92 0.32 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.224 0.535 . . . . 64.33 111.791 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.66 -177.33 4.53 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.153 -0.476 . . . . 71.03 109.86 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 640' ' ' ASP . 12.0 ptp180 -129.71 164.08 24.75 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.195 -0.669 . . . . 72.14 109.195 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.73 145.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 108.289 -1.004 . . . . 71.14 108.289 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.59 20.79 4.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.189 0.996 . . . . 72.41 110.23 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 637' ' ' ARG . 7.4 t70 -92.23 149.82 21.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.654 -0.869 . . . . 61.04 108.654 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -93.84 125.49 38.49 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 112.733 0.642 . . . . 73.31 112.733 -172.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.51 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.8 mp -85.62 110.9 19.59 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.582 0.706 . . . . 63.51 110.26 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.497 HD12 HD22 ' A' ' 651' ' ' LEU . 43.8 mm -85.8 -57.03 4.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.152 -0.931 . . . . 65.15 110.518 -176.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.31 155.91 44.03 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.76 -0.655 . . . . 71.41 111.409 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.493 HG23 HD13 ' A' ' 678' ' ' LEU . 12.7 p -133.5 129.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.122 -0.696 . . . . 74.32 109.122 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 47.73 36.41 5.67 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.501 0.667 . . . . 71.12 112.484 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 80.5 -1.05 83.75 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 115.211 -0.904 . . . . 53.25 115.094 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.51 ' OE1' HG21 ' A' ' 661' ' ' THR . 0.3 OUTLIER -94.71 129.82 41.47 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.329 -1.36 . . . . 50.04 107.329 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.5 m -82.02 106.28 13.8 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.534 0.683 . . . . 62.21 112.643 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.89 -28.62 44.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.774 -0.648 . . . . 63.53 109.767 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 643' ' ' ILE . 53.4 tp -65.77 -13.57 59.65 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.749 -0.659 . . . . 52.35 111.851 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -91.51 -4.78 67.67 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.639 -0.791 . . . . 73.23 112.322 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -130.27 163.16 27.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.32 -0.252 . . . . 74.21 110.32 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.29 161.68 28.78 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.002 0.189 . . . . 73.41 110.981 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.651 ' ND2' ' HG3' ' A' ' 609' ' ' ARG . 57.5 m-20 -51.03 -48.29 61.52 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.343 0.657 . . . . 60.41 112.557 -175.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.53 -36.67 79.15 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.652 -0.704 . . . . 71.21 112.298 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.83 -38.54 76.56 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.55 96.82 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.132 -1.395 . . . . 60.54 110.996 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 mtt -62.22 -41.95 98.86 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.488 0.551 . . . . 71.3 112.488 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.58 -41.37 98.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.296 0.569 . . . . 70.04 109.611 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' THR . . . . . 0.51 HG21 ' OE1' ' A' ' 648' ' ' GLU . 86.4 m -71.09 -39.24 72.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.279 -0.873 . . . . 71.35 110.469 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.603 ' O ' ' HG3' ' A' ' 666' ' ' MET . 36.2 tp -59.54 -56.07 26.54 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.725 0.81 . . . . 61.01 111.687 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.88 -36.36 83.08 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.208 0.528 . . . . 72.22 110.563 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.03 -50.08 74.79 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.02 -0.991 . . . . 72.12 110.449 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 40.2 m -64.07 -34.37 77.88 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 116.439 -0.346 . . . . 60.21 110.669 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 83.5 mtp -66.55 -41.23 88.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.129 0.49 . . . . 54.54 109.8 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.9 t -78.82 -55.71 4.95 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.525 -0.761 . . . . 55.24 110.896 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 58.4 m -69.94 -54.32 13.86 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.145 -0.479 . . . . 54.31 112.081 -175.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.985 0.735 . . . . 74.25 112.985 -176.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.56 -52.11 54.87 Favored Glycine 0 C--N 1.315 -0.625 0 C-N-CA 121.222 -0.513 . . . . 74.14 112.655 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.11 -12.99 60.43 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.504 0.669 . . . . 64.52 110.672 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -84.01 -40.74 18.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.29 0.567 . . . . 73.12 110.702 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -90.41 -22.59 21.37 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.043 -0.526 . . . . 75.14 110.427 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.12 -29.73 10.75 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.802 -0.919 . . . . 62.34 110.802 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.7 ptm -135.44 150.72 49.92 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.962 -0.755 . . . . 73.43 108.962 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 591' ' ' VAL . 7.9 tt -111.09 141.0 27.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 115.451 -0.795 . . . . 74.22 110.329 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -106.92 135.46 48.44 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.727 -0.67 . . . . 73.32 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 645' ' ' VAL . 1.7 mm? -127.78 123.7 35.88 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.878 -1.156 . . . . 55.41 107.878 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.445 HG13 ' HB ' ' A' ' 588' ' ' THR . 2.6 mp -108.57 119.74 58.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 107.291 -1.374 . . . . 73.31 107.291 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.464 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.8 m -122.59 173.25 8.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.174 -0.676 . . . . 73.4 109.174 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -137.66 126.05 23.35 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 120.892 0.377 . . . . 73.04 111.586 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -109.54 145.83 35.66 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 107.761 -1.2 . . . . 64.43 107.761 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 683' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 685' ' ' SER . 15.1 ptp180 -89.93 144.05 26.26 Favored 'General case' 0 C--N 1.274 -2.71 0 N-CA-C 108.167 -1.049 . . . . 71.41 108.167 174.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 63.3 mt -57.08 -35.23 47.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.603 -0.726 . . . . 73.14 110.964 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.547 ' O ' ' HG3' ' A' ' 683' ' ' ARG . 30.8 p -76.47 123.34 25.87 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.417 -0.81 . . . . 61.34 109.577 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.02 110.32 1.01 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.342 0.497 . . . . 71.52 112.342 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 50.6 t -135.56 108.51 7.62 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.923 -1.139 . . . . 74.43 107.923 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -131.12 148.34 52.71 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.595 -0.521 . . . . 72.22 109.595 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.316 0 N-CA-C 107.947 -1.131 . . . . 65.24 107.947 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.224 -0.278 0 N-CA-C 109.158 -0.682 . . . . 73.43 109.158 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.89 152.22 40.86 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.964 -1.017 . . . . 73.13 109.324 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -142.6 -54.4 0.42 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.901 -0.32 . . . . 72.24 110.773 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 65.6 -166.36 0.22 Allowed 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.898 0.749 . . . . 61.45 110.546 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.8 mp 70.37 102.19 0.06 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.343 1.057 . . . . 62.33 112.194 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -98.47 -46.13 5.87 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 105.742 -1.947 . . . . 73.32 105.742 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -116.12 26.62 8.64 Favored Glycine 0 N--CA 1.408 -3.222 0 CA-C-N 114.215 -1.357 . . . . 63.32 110.718 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 59.9 m 66.57 26.55 9.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 122.256 1.027 . . . . 71.34 109.424 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.3 161.97 27.71 Favored Pre-proline 0 C--N 1.31 -1.119 0 CA-C-N 113.835 -1.53 . . . . 72.24 110.464 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -110.59 31.07 0.04 OUTLIER 'Trans proline' 0 CA--C 1.552 1.409 0 C-N-CA 123.662 2.908 . . . . 62.55 111.702 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 60.72 83.08 0.15 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.296 -0.631 . . . . 70.32 109.296 -169.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -76.73 97.3 4.44 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-N 116.428 -0.351 . . . . 75.12 110.299 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.53 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 50.7 mt-10 -117.74 138.41 52.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 112.892 0.701 . . . . 74.33 112.892 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 60.7 tp -140.43 134.95 31.51 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 115.349 -0.841 . . . . 73.44 110.376 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -104.14 125.81 58.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.54 -0.911 . . . . 73.52 108.54 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.526 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 19.9 pt . . . . . 0 N--CA 1.411 -2.389 0 CA-C-O 117.934 -1.032 . . . . 72.41 109.276 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.536 -1.026 . . . . 72.51 110.536 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.0 t -93.59 91.98 7.33 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 107.417 -1.327 . . . . 71.4 107.417 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.52 -40.88 2.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.776 -0.647 . . . . 65.11 110.874 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -87.03 5.57 84.92 Favored Glycine 0 C--O 1.248 0.983 0 CA-C-N 116.063 -0.517 . . . . 64.1 112.725 -177.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -65.1 142.89 58.22 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 106.926 -1.509 . . . . 73.43 106.926 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -145.18 149.45 34.99 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 118.825 -1.15 . . . . 72.4 113.93 -169.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 17.0 pt-20 -113.23 163.11 15.2 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.784 -1.191 . . . . 72.31 107.784 175.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.72 132.66 54.48 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.77 0.655 . . . . 75.35 112.77 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.64 140.25 51.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.217 -0.447 . . . . 72.41 109.89 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 43.0 m -116.15 122.41 44.99 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.897 -0.592 . . . . 73.1 109.936 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -125.88 141.44 51.98 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.534 -0.303 . . . . 73.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.33 127.11 54.39 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.655 0.74 . . . . 74.05 110.437 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.405 ' HB ' HG23 ' A' ' 676' ' ' ILE . 91.9 t -117.85 117.39 35.65 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 114.469 -1.242 . . . . 71.12 108.927 -174.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 78.8 Cg_endo -77.39 145.38 23.78 Favored 'Trans proline' 0 N--CA 1.44 -1.657 0 C-N-CA 121.128 1.219 . . . . 71.41 110.139 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.15 78.87 5.6 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.906 -1.146 . . . . 71.14 107.906 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -129.22 120.87 26.49 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.331 -1.304 . . . . 75.4 111.109 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.0 t70 76.84 -37.1 0.27 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.963 1.705 . . . . 74.43 111.628 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 599' ' ' ALA . 22.6 p -78.55 100.14 6.8 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 122.226 1.012 . . . . 61.13 110.207 174.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -117.24 -32.91 1.42 Allowed Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 113.872 -1.513 . . . . 72.44 110.661 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.7 p -77.07 -21.19 54.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.259 1.028 . . . . 72.34 109.643 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 596' ' ' SER . . . -137.23 137.12 38.74 Favored 'General case' 0 N--CA 1.393 -3.283 0 N-CA-C 104.763 -2.31 . . . . 63.12 104.763 174.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -68.15 -57.32 8.66 Favored Glycine 0 C--N 1.283 -2.373 0 N-CA-C 110.359 -1.096 . . . . 51.55 110.359 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 676' ' ' ILE . 7.0 mp -109.95 -27.65 9.13 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 109.019 -0.734 . . . . 72.51 109.019 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.5 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 78.09 52.65 5.2 Favored Glycine 0 N--CA 1.399 -3.788 0 N-CA-C 109.802 -1.319 . . . . 63.15 109.802 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.3 152.25 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.32 0 N-CA-C 106.209 -1.774 . . . . 62.3 106.209 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 30.6 m -114.13 133.12 55.78 Favored 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 106.944 -1.502 . . . . 75.03 106.944 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 621' ' ' VAL . 1.8 m -124.33 161.68 27.03 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.753 0 CA-C-N 116.099 -0.5 . . . . 75.41 111.663 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.37 154.37 37.65 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.33 -0.85 . . . . 62.23 109.239 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.17 126.27 8.6 Favored Glycine 0 C--N 1.288 -2.118 0 C-N-CA 118.874 -1.632 . . . . 64.43 112.605 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -95.48 130.52 42.28 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 106.649 -1.612 . . . . 53.34 106.649 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' B' ' 780' ' ' GLU . 38.6 ttp180 -134.44 134.23 41.37 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 116.586 -0.279 . . . . 75.24 111.459 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.5 m -81.52 95.19 7.04 Favored 'General case' 0 N--CA 1.426 -1.625 0 N-CA-C 107.24 -1.393 . . . . 75.54 107.24 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.419 ' HE2' ' HA3' ' B' ' 775' ' ' GLY . 10.0 mtmp? -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.781 0.66 . . . . 75.22 112.781 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.45 -42.73 92.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.302 0.572 . . . . 64.02 110.39 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -74.49 -22.18 59.2 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.626 -0.715 . . . . 72.12 110.416 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.7 m80 69.09 25.94 5.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.655 1.182 . . . . 70.03 111.709 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -130.83 153.38 49.15 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.879 -0.786 . . . . 55.13 108.879 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.3 p-10 -90.73 157.7 17.28 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 121.118 0.485 . . . . 75.53 110.334 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.8 mt -98.48 -7.28 28.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.081 -1.081 . . . . 74.44 108.081 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 109.01 -171.96 15.9 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.47 -1.241 . . . . 75.31 111.835 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.1 mm -97.42 131.04 45.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.249 -1.019 . . . . 71.2 108.249 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -122.42 146.04 47.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 110.083 -0.34 . . . . 62.01 110.083 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.4 t -65.45 128.19 27.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.77 -0.456 . . . . 72.52 109.77 172.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -98.95 -44.06 6.47 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 116.302 -0.408 . . . . 74.44 110.637 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 29.5 t -150.13 146.37 26.86 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 109.251 -0.648 . . . . 72.41 109.251 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.33 138.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.681 -0.859 . . . . 64.45 108.681 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -98.29 117.04 42.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.981 -0.748 . . . . 72.25 108.981 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -66.62 131.31 45.72 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.971 -0.559 . . . . 70.54 110.063 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.86 -23.98 22.6 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 110.923 -0.871 . . . . 62.23 110.923 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -69.27 144.09 40.36 Favored Glycine 0 N--CA 1.434 -1.489 0 C-N-CA 120.877 -0.677 . . . . 73.23 111.903 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.4 76.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.367 0.267 . . . . 73.11 111.657 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -65.8 -26.43 67.69 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.119 0.485 . . . . 75.14 111.034 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 36.3 t -76.16 -48.38 20.77 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.652 -0.869 . . . . 73.52 108.652 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.91 -52.13 39.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.76 -0.654 . . . . 40.22 111.338 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.43 -51.61 9.15 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.571 0.952 . . . . 74.43 113.571 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.14 -42.25 9.61 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.795 -0.717 . . . . 65.45 114.876 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 65.35 33.96 8.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.104 0.452 . . . . 73.32 111.611 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.82 160.07 18.18 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.886 0.374 . . . . 63.24 110.625 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.531 ' HE ' ' CG ' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -114.0 179.52 3.93 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.664 -0.815 . . . . 71.14 112.273 -176.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.2 t -81.13 141.66 14.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 108.435 -0.95 . . . . 74.0 108.435 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 67.9 31.76 5.52 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 122.985 1.374 . . . . 74.43 107.727 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.531 ' CG ' ' HE ' ' A' ' 637' ' ' ARG . 22.5 t0 -92.07 125.62 36.83 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.106 -1.812 . . . . 75.25 106.106 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.61 116.58 29.09 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.248 0.547 . . . . 63.02 111.182 -170.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.424 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.5 mp -74.1 109.8 7.88 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 123.933 0.893 . . . . 73.1 111.178 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.57 -56.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 124.013 0.925 . . . . 75.43 111.042 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.89 146.03 40.64 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 114.837 -1.074 . . . . 64.22 108.757 -176.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.419 HG11 HD23 ' A' ' 662' ' ' LEU . 8.5 p -130.67 136.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.811 -0.44 . . . . 72.42 109.811 -176.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.476 ' HB3' ' HG3' ' A' ' 669' ' ' GLU . 17.8 m120 62.3 16.19 8.26 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.181 0.992 . . . . 75.55 111.626 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.24 -5.24 67.93 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.462 -0.79 . . . . 74.33 111.51 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.92 127.38 47.42 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.043 0.449 . . . . 71.51 110.125 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.2 p -81.51 134.74 35.56 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.738 -0.664 . . . . 54.5 110.613 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.436 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.9 pt? -135.54 5.3 3.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 120.777 -0.369 . . . . 70.14 111.283 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.19 95.26 2.07 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 121.091 0.472 . . . . 55.01 110.178 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 149.28 38.87 0.04 OUTLIER Glycine 0 C--N 1.304 -1.225 0 CA-C-N 115.242 -0.89 . . . . 74.3 111.885 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.25 177.07 9.72 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.899 -0.778 . . . . 63.23 108.899 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.533 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -68.97 158.94 33.69 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.94 -0.304 . . . . 51.2 110.669 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.5 m120 -64.31 -40.82 96.7 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 116.291 -0.413 . . . . 75.41 111.19 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -66.37 -41.04 90.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 72.42 110.051 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 657' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 21.4 mm-40 -60.21 -46.0 91.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.378 -0.828 . . . . 72.12 109.12 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.579 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -59.47 -40.89 88.39 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 114.803 -1.09 . . . . 74.21 110.741 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 63.2 mtt -59.98 -44.44 94.47 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.465 -0.334 . . . . 74.51 111.606 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.54 -37.99 86.17 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 120.542 -0.463 . . . . 65.21 110.574 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 49.8 m -63.13 -40.06 96.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 109.602 -0.518 . . . . 61.01 109.602 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.703 ' O ' ' HG3' ' A' ' 666' ' ' MET . 93.7 mt -62.69 -57.47 10.9 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.006 -0.368 . . . . 64.13 110.006 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 659' ' ' MET . 64.2 mtp180 -59.14 -41.46 88.33 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.571 0.544 . . . . 73.41 110.874 -175.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -40.53 92.97 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.733 -0.667 . . . . 75.33 112.627 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 48.8 m -70.42 -30.89 67.87 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.715 -0.794 . . . . 75.43 110.065 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.703 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.7 mtp -67.22 -41.56 85.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.661 . . . . 74.22 109.214 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.2 t -77.64 -52.33 9.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.933 -1.03 . . . . 44.52 110.951 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.7 m -69.88 -59.31 3.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.083 0.468 . . . . 74.3 111.43 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' A' ' 646' ' ' ASN . 1.1 tm-20 -79.15 -41.57 28.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.15 -0.477 . . . . 73.25 109.954 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.5 -21.88 55.32 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 116.22 -0.445 . . . . 63.32 113.454 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -82.27 -27.47 32.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 74.12 109.968 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -72.15 -63.49 1.13 Allowed 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.061 -0.518 . . . . 73.21 111.186 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.59 -20.74 27.45 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.616 -0.434 . . . . 74.1 112.057 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.36 0.84 82.04 Favored Glycine 0 C--N 1.311 -0.837 0 C-N-CA 119.911 -1.138 . . . . 73.02 111.471 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 26.2 ptt? -141.57 155.71 45.75 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 109.989 -0.374 . . . . 74.21 109.989 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 601' ' ' LEU . 9.6 tt -117.63 140.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.263 0 CA-C-N 115.101 -0.954 . . . . 62.23 109.688 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -108.07 132.3 53.71 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.72 -0.474 . . . . 65.03 109.72 -178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.5 mm? -121.17 123.74 43.01 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 109.279 -0.638 . . . . 72.13 109.279 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 91.6 mt -108.14 115.18 48.47 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.418 -1.697 . . . . 74.22 106.418 174.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 642' ' ' LEU . 29.8 m -123.85 152.54 29.31 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.102 0 CA-C-N 115.21 -0.905 . . . . 61.2 111.291 -174.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.85 132.83 54.45 Favored 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 107.653 -1.24 . . . . 53.23 107.653 176.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.515 ' HG3' ' HD2' ' A' ' 637' ' ' ARG . 51.6 ttt180 -107.98 127.18 53.53 Favored 'General case' 0 C--N 1.256 -3.496 0 N-CA-C 107.862 -1.162 . . . . 74.54 107.862 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 128.13 33.84 Favored 'General case' 0 N--CA 1.411 -2.422 0 C-N-CA 117.702 -1.599 . . . . 75.35 109.364 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 18.5 pt -109.49 105.51 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.571 0 CA-C-O 122.393 1.092 . . . . 74.53 110.175 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 32.4 m -93.75 142.12 27.72 Favored 'General case' 0 C--N 1.265 -3.105 0 CA-C-N 114.535 -1.212 . . . . 72.05 108.334 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -83.46 75.11 10.03 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.454 -0.898 . . . . 73.35 109.045 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.89 153.48 0.52 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.167 -1.42 . . . . 72.34 107.167 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -82.15 129.84 34.93 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.218 -1.401 . . . . 75.33 107.218 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.688 -0.116 . . . . 74.12 110.688 -179.154 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 CA--C 1.514 -0.416 0 CA-C-O 121.541 0.686 . . . . 61.41 109.712 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 95.0 mt -123.21 95.75 4.73 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.22 -0.9 . . . . 63.05 109.077 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -115.45 84.74 2.15 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 121.426 0.632 . . . . 63.42 109.97 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.84 123.3 19.59 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.618 -0.719 . . . . 73.34 111.735 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 773' ' ' LEU . . . . . 0.48 HD23 ' H ' ' B' ' 777' ' ' ASP . 5.0 mp -125.77 -169.85 2.08 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.462 -1.681 . . . . 74.44 106.462 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 774' ' ' TYR . . . . . 0.433 ' HB3' ' OD1' ' B' ' 777' ' ' ASP . 67.7 t80 -92.18 -44.4 8.81 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.745 -1.946 . . . . 71.31 105.745 177.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 775' ' ' GLY . . . . . 0.419 ' HA3' ' HE2' ' A' ' 611' ' ' LYS . . . -157.95 -52.9 0.01 OUTLIER Glycine 0 N--CA 1.427 -1.953 0 CA-C-N 114.737 -1.119 . . . . 62.3 110.4 170.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 50.5 m -162.65 85.23 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.217 -2.142 . . . . 73.25 105.217 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 777' ' ' ASP . . . . . 0.48 ' H ' HD23 ' B' ' 773' ' ' LEU . 6.8 m-20 -143.02 161.23 49.53 Favored Pre-proline 0 C--N 1.307 -1.269 0 N-CA-C 108.742 -0.836 . . . . 73.23 108.742 -169.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.9 8.21 3.57 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.421 2.081 . . . . 63.14 111.947 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 66.78 86.3 0.13 Allowed 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 124.522 1.129 . . . . 71.12 109.555 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 780' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' A' ' 609' ' ' ARG . 35.3 mt-10 -90.59 94.42 9.69 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.049 0.928 . . . . 65.32 112.824 -174.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -133.17 149.28 52.06 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.086 1.754 . . . . 71.33 107.637 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.41 HD21 ' HD2' ' A' ' 663' ' ' ARG . 1.0 OUTLIER -145.23 133.12 21.23 Favored 'General case' 0 N--CA 1.41 -2.447 0 N-CA-C 107.81 -1.181 . . . . 74.13 107.81 -178.285 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.24 128.71 56.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 108.9 -0.778 . . . . 75.35 108.9 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.644 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 18.3 pt . . . . . 0 N--CA 1.411 -2.397 0 CA-C-O 117.864 -1.065 . . . . 72.24 111.286 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.991 0 N-CA-C 110.713 -0.955 . . . . 65.21 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.6 m 65.07 19.45 11.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.692 0.797 . . . . 64.25 111.761 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.86 -32.52 73.85 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.132 -1.062 . . . . 71.41 108.132 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.411 ' O ' ' HD2' ' A' ' 584' ' ' ARG . . . -164.72 80.79 0.12 Allowed Glycine 0 N--CA 1.424 -2.161 0 N-CA-C 108.49 -1.844 . . . . 61.5 108.49 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 56.4 m -53.74 121.87 8.75 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.288 0.635 . . . . 73.52 111.681 -174.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' ' 582' ' ' GLY . 0.1 OUTLIER -144.73 151.78 39.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.299 -0.409 . . . . 72.31 110.513 -177.157 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -117.15 153.45 32.78 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.262 -1.014 . . . . 73.24 108.262 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 643' ' ' ILE . 10.9 m-30 -92.71 131.33 37.88 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.024 0.44 . . . . 61.22 111.549 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 94.4 mt -114.12 132.08 56.18 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.131 . . . . 73.31 107.948 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 68.9 m -113.13 121.43 44.53 Favored 'General case' 0 C--N 1.265 -3.089 0 CA-C-N 115.799 -0.637 . . . . 70.0 109.711 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.96 132.67 56.09 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.771 -0.825 . . . . 72.44 108.771 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -112.8 132.32 55.31 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.205 -0.598 . . . . 61.42 109.798 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.14 117.52 26.92 Favored Pre-proline 0 C--N 1.285 -2.239 0 N-CA-C 108.474 -0.936 . . . . 75.32 108.474 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 91.6 Cg_endo -80.78 147.21 17.03 Favored 'Trans proline' 0 N--CA 1.43 -2.228 0 C-N-CA 121.002 1.134 . . . . 74.33 111.456 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 65.93 5.46 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-O 122.701 1.238 . . . . 65.33 107.882 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -111.03 -72.79 0.7 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 112.991 -1.913 . . . . 72.32 109.434 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.84 77.28 3.21 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.668 -1.234 . . . . 73.45 107.668 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 47.7 p -153.44 110.23 3.41 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 113.349 -1.75 . . . . 62.45 108.657 -175.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -144.78 -35.22 0.07 OUTLIER Glycine 0 N--CA 1.417 -2.594 0 N-CA-C 110.648 -0.981 . . . . 70.04 110.648 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 39.8 p -86.66 -18.14 32.04 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.48 0.657 . . . . 71.4 109.991 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -150.99 177.83 9.77 Favored 'General case' 0 N--CA 1.406 -2.632 0 N-CA-C 106.887 -1.523 . . . . 60.44 106.887 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -90.7 -50.63 2.86 Favored Glycine 0 C--N 1.283 -2.4 0 N-CA-C 109.701 -1.359 . . . . 52.43 109.701 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.75 -39.26 4.05 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.591 -0.892 . . . . 75.43 108.591 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 93.57 48.73 2.69 Favored Glycine 1 N--CA 1.393 -4.21 0 N-CA-C 109.518 -1.433 . . . . 61.52 109.518 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.6 152.46 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.6 -1.259 . . . . 74.2 107.6 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 25.0 m -116.24 131.29 56.98 Favored 'General case' 0 N--CA 1.406 -2.675 0 N-CA-C 107.492 -1.299 . . . . 74.21 107.492 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.537 HG11 HD21 ' A' ' 642' ' ' LEU . 2.9 m -124.89 153.33 31.87 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.313 0 CA-C-O 121.413 0.625 . . . . 72.2 111.218 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -150.54 155.42 39.42 Favored 'General case' 0 C--N 1.268 -2.948 0 CA-C-N 115.218 -0.901 . . . . 50.11 108.597 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -102.54 128.25 9.48 Favored Glycine 0 C--N 1.281 -2.499 0 C-N-CA 118.694 -1.717 . . . . 74.12 110.905 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -94.07 123.15 37.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 106.364 -1.717 . . . . 73.15 106.364 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -116.05 142.3 46.98 Favored 'General case' 0 C--N 1.275 -2.672 0 N-CA-C 108.408 -0.96 . . . . 74.31 108.408 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 44.8 m -67.56 118.35 10.75 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.934 -1.135 . . . . 73.43 107.934 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -48.38 -69.64 0.11 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 114.39 1.256 . . . . 74.41 114.39 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -91.22 -21.69 20.99 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 120.016 -0.674 . . . . 70.34 111.56 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -76.91 -23.18 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 71.2 109.384 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.0 m80 63.81 14.4 8.26 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.676 1.362 . . . . 62.45 114.676 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -97.87 146.35 25.52 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.04 -1.096 . . . . 73.11 108.04 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -82.57 148.13 28.22 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 120.46 -0.496 . . . . 64.05 110.384 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -95.99 -7.62 35.91 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.342 -1.355 . . . . 64.13 107.342 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 113.11 -178.42 18.67 Favored Glycine 0 C--O 1.244 0.768 0 CA-C-N 114.28 -1.327 . . . . 63.12 112.127 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.489 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.9 mm -92.09 126.15 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 107.865 -1.161 . . . . 73.15 107.865 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.2 m-85 -118.97 148.08 43.36 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.442 0.639 . . . . 63.01 111.465 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.48 ' HA ' HG12 ' A' ' 605' ' ' VAL . 67.3 t -72.57 118.05 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 107.968 -1.123 . . . . 41.31 107.968 172.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.586 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -93.76 -44.53 8.1 Favored 'General case' 0 C--N 1.273 -2.726 0 CA-C-N 115.622 -0.717 . . . . 64.13 111.103 -178.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 15.8 m -148.78 135.96 20.13 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 115.736 -0.665 . . . . 65.01 109.326 -174.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.04 135.7 27.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 107.62 -1.252 . . . . 62.23 107.62 172.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.0 mt -84.12 111.51 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 N-CA-C 107.134 -1.432 . . . . 72.21 107.134 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.16 108.7 3.71 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.087 -0.96 . . . . 74.15 110.689 -174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 130.78 -16.58 5.31 Favored Glycine 0 N--CA 1.431 -1.64 0 CA-C-N 115.22 -0.9 . . . . 60.25 111.369 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' GLY . . . . . 0.509 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -76.14 166.3 54.32 Favored Glycine 0 C--O 1.241 0.544 0 C-N-CA 120.623 -0.799 . . . . 72.23 111.947 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.56 78.64 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 122.647 -0.325 . . . . 55.33 111.666 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.47 -26.53 62.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.412 0.625 . . . . 42.43 109.797 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 30.5 t -69.32 -53.19 20.92 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.775 -1.102 . . . . 75.45 109.456 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -75.65 -51.29 13.13 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 114.896 1.443 . . . . 71.31 114.896 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.94 -52.55 7.33 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.313 0.857 . . . . 71.22 113.313 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -75.19 -40.87 33.04 Favored Glycine 0 CA--C 1.501 -0.842 0 CA-C-N 115.554 -0.748 . . . . 43.14 113.824 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 56.19 80.4 0.15 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.453 1.101 . . . . 60.33 112.01 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.13 162.23 28.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.816 0.817 . . . . 72.33 112.769 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 682' ' ' ARG . 6.2 ptm180 -110.64 -9.63 14.52 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 115.832 1.79 . . . . 64.55 115.832 -164.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 68.9 t 71.15 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 123.468 0.707 . . . . 64.12 112.691 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 61.83 32.39 18.08 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.668 -2.345 . . . . 74.11 104.668 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.4 t0 -98.66 130.12 45.16 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 111.98 -2.373 . . . . 70.23 109.28 -173.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -88.54 120.8 30.26 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 112.424 0.527 . . . . 71.54 112.424 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.537 HD21 HG11 ' A' ' 605' ' ' VAL . 7.5 mp -78.31 117.63 19.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.455 0.645 . . . . 75.22 110.571 177.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 651' ' ' LEU . 45.1 mm -95.33 -56.22 5.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 CA-C-N 115.275 -0.875 . . . . 63.25 109.895 -176.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -143.26 155.49 44.51 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 114.87 -1.059 . . . . 73.33 110.186 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.447 HG23 HD13 ' A' ' 678' ' ' LEU . 13.5 p -136.41 131.51 48.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 109.128 -0.693 . . . . 74.52 109.128 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.31 28.74 4.49 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.125 0.787 . . . . 73.33 113.125 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.75 -19.6 51.9 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 120.808 -0.711 . . . . 71.42 113.618 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -86.77 126.18 34.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.965 -0.754 . . . . 61.42 108.965 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.5 t -90.57 146.3 24.18 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 120.714 0.292 . . . . 73.32 110.294 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.41 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.5 pp -133.39 5.19 3.74 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 113.551 0.945 . . . . 62.44 113.551 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 643' ' ' ILE . 4.9 tt -73.17 101.11 3.24 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.41 -0.959 . . . . 72.4 108.41 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 153.07 -29.58 0.8 Allowed Glycine 0 C--N 1.292 -1.904 0 N-CA-C 110.368 -1.093 . . . . 73.41 110.368 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.4 OUTLIER -90.68 169.04 11.32 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 109.074 -0.713 . . . . 73.53 109.074 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.0 167.84 20.53 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 116.304 -0.407 . . . . 72.4 111.301 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -53.15 -42.1 65.77 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.358 0.663 . . . . 73.24 111.681 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 660' ' ' GLU . 21.6 mm-40 -63.89 -51.47 64.39 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.597 -0.729 . . . . 64.32 110.224 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.39 -39.94 95.86 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.167 -0.924 . . . . 72.13 109.701 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.56 88.24 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 115.046 -0.979 . . . . 75.11 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.1 mtt -62.65 -40.42 96.97 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 120.093 -0.643 . . . . 41.13 111.831 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.0 mt-10 -59.32 -45.49 91.19 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.032 0.444 . . . . 73.3 110.154 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 62.2 m -65.83 -48.36 71.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.274 -0.876 . . . . 64.12 109.555 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.463 HD23 HD23 ' B' ' 782' ' ' LEU . 39.7 tp -57.1 -50.64 72.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.297 -0.865 . . . . 63.13 111.721 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.467 ' HE ' HD13 ' B' ' 782' ' ' LEU . 92.8 mtt180 -55.03 -47.33 74.9 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.379 0.424 . . . . 74.41 110.38 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.54 -51.13 66.77 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.59 -0.732 . . . . 74.32 111.582 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 34.7 m -71.84 -35.34 69.85 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 120.514 -0.475 . . . . 64.22 111.675 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -74.94 -32.59 61.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.19 -0.604 . . . . 64.11 110.801 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 37.5 t -85.25 -53.0 5.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.115 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 95.5 m -66.05 -54.85 20.71 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.424 -0.353 . . . . 53.43 111.802 -176.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -90.48 -22.51 21.34 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.907 1.077 . . . . 53.34 113.907 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.86 -56.89 22.26 Favored Glycine 0 C--N 1.318 -0.438 0 C-N-CA 120.711 -0.757 . . . . 61.14 112.119 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.57 -21.68 60.28 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 122.685 -0.303 . . . . 74.45 111.81 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.83 -47.77 61.49 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.186 0.517 . . . . 61.12 110.534 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -77.38 -31.7 54.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.626 0.727 . . . . 72.04 109.969 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 102.65 -13.84 56.45 Favored Glycine 0 CA--C 1.502 -0.737 0 N-CA-C 110.308 -1.117 . . . . 71.51 110.308 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.493 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.9 ptp -148.24 154.58 40.26 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 109.183 -0.673 . . . . 45.11 109.183 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' ILE . . . . . . . . . . . . . 7.3 tt -119.43 140.76 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.56 0 CA-C-N 115.146 -0.934 . . . . 74.33 110.736 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.5 132.62 51.44 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.978 -0.555 . . . . 73.53 109.888 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 645' ' ' VAL . 1.5 mm? -121.8 124.06 43.26 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.972 -0.751 . . . . 74.32 108.972 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 98.2 mt -110.02 115.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 N-CA-C 108.082 -1.081 . . . . 71.33 108.082 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.31 165.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 CA-C-N 114.554 -1.203 . . . . 70.43 109.452 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 681' ' ' ALA . . . . . 0.436 ' HB2' HD11 ' A' ' 643' ' ' ILE . . . -118.66 139.08 52.09 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.612 0.72 . . . . 60.25 111.725 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.446 ' HA ' ' NH1' ' A' ' 637' ' ' ARG . 35.2 ttt180 -107.68 121.9 45.63 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 107.356 -1.35 . . . . 75.02 107.356 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -79.53 123.62 27.74 Favored 'General case' 0 C--N 1.285 -2.199 0 C-N-CA 119.263 -0.975 . . . . 74.4 109.272 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 62.1 mt -83.48 -29.61 7.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.188 -1.412 . . . . 62.43 107.188 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 24.8 m -82.62 97.39 8.47 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 113.83 -1.532 . . . . 71.02 107.555 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -134.21 147.6 50.74 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.391 -0.966 . . . . 74.01 108.391 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.47 150.57 21.75 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.88 -1.156 . . . . 63.03 107.88 174.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -59.34 114.42 2.66 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 121.056 0.455 . . . . 53.12 110.786 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.764 -0.653 . . . . 62.51 110.531 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 109.321 -0.622 . . . . 73.41 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 770' ' ' LEU . . . . . 0.422 ' HB3' ' CD2' ' B' ' 773' ' ' LEU . 98.3 mt -117.02 156.25 27.82 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 116.106 -0.497 . . . . 61.34 110.731 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -80.65 -63.48 1.4 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.354 -0.385 . . . . 51.54 111.632 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -161.21 -38.52 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.544 0.572 . . . . 74.05 112.544 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 773' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' B' ' 770' ' ' LEU . 3.1 mm? 62.2 43.16 8.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.466 -0.788 . . . . 74.1 110.863 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -122.37 14.5 10.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.671 -1.233 . . . . 71.53 107.671 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 123.83 48.2 0.23 Allowed Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.989 -1.005 . . . . 65.11 111.841 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 37.3 t -142.87 124.51 14.93 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 106.984 -1.487 . . . . 62.02 106.984 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -45.38 103.91 0.37 Allowed Pre-proline 0 N--CA 1.472 0.651 0 O-C-N 124.932 1.395 . . . . 53.4 113.637 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.63 -48.43 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.664 2.243 . . . . 65.1 110.669 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -166.2 67.2 0.11 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 114.703 -1.135 . . . . 73.42 108.617 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -123.48 75.13 1.3 Allowed 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.541 1.163 . . . . 70.35 107.883 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.586 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 25.8 mt-10 -134.08 141.56 47.21 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 112.637 -2.074 . . . . 71.13 108.27 -173.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.467 HD13 ' HE ' ' A' ' 663' ' ' ARG . 35.6 tp -125.02 126.47 45.47 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 115.992 -0.549 . . . . 74.12 109.684 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -100.7 126.34 54.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 N-CA-C 109.001 -0.74 . . . . 74.44 109.001 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 27.2 pt . . . . . 0 N--CA 1.414 -2.264 0 CA-C-O 118.676 -0.678 . . . . 62.42 110.184 178.631 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.614 0 N-CA-C 111.132 -0.787 . . . . 62.32 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.7 p -72.91 -17.82 61.47 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.152 0.501 . . . . 64.41 111.513 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.94 -12.68 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 73.2 109.733 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -125.64 40.27 1.88 Allowed Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 120.593 -0.813 . . . . 54.34 111.835 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 26.6 m -85.94 -38.12 18.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.583 -1.266 . . . . 64.23 107.583 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' ARG . . . . . 0.413 ' CB ' ' HA ' ' A' ' 683' ' ' ARG . 35.8 ptt180 -145.11 153.91 41.91 Favored 'General case' 0 N--CA 1.42 -1.952 0 CA-C-N 114.936 -1.029 . . . . 75.24 109.405 173.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 19.9 mm-40 -108.38 134.72 50.79 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 110.028 -0.36 . . . . 63.04 110.028 -174.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 586' ' ' PHE . . . . . 0.412 ' C ' HD12 ' A' ' 587' ' ' LEU . 89.4 m-85 -100.66 122.72 43.78 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.214 -0.903 . . . . 72.1 110.198 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 586' ' ' PHE . 5.9 mp -122.09 137.12 54.93 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 108.458 -0.941 . . . . 74.3 108.458 178.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 45.4 m -109.48 127.72 54.64 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 115.833 -0.621 . . . . 70.51 109.836 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -123.96 135.65 53.8 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.428 -0.805 . . . . 74.15 109.566 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.64 134.35 53.27 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.461 -0.941 . . . . 72.05 108.461 175.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.483 ' HB ' HG23 ' A' ' 676' ' ' ILE . 84.9 t -126.05 117.76 23.81 Favored Pre-proline 0 C--N 1.285 -2.205 0 CA-C-N 115.918 -0.583 . . . . 61.54 109.617 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 60.4 Cg_endo -75.82 148.1 31.8 Favored 'Trans proline' 0 N--CA 1.44 -1.648 0 C-N-CA 121.279 1.319 . . . . 74.44 110.461 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.38 82.87 5.47 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.715 0.769 . . . . 74.23 110.248 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -76.52 -160.85 0.16 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.997 -1.456 . . . . 74.43 111.317 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -78.12 74.9 4.66 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 121.825 0.821 . . . . 73.25 110.737 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.1 p -110.12 -77.75 0.59 Allowed 'General case' 0 N--CA 1.402 -2.868 0 CA-C-N 114.059 -1.428 . . . . 63.1 109.312 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 72.91 -63.56 1.59 Allowed Glycine 0 C--N 1.314 -0.654 0 C-N-CA 121.103 -0.57 . . . . 71.31 112.342 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.5 p -72.41 -28.53 63.03 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.459 0.647 . . . . 72.04 109.948 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.512 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -116.59 164.54 14.44 Favored 'General case' 1 N--CA 1.372 -4.349 0 N-CA-C 105.227 -2.138 . . . . 75.31 105.227 169.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -99.44 -62.52 0.83 Allowed Glycine 1 C--N 1.243 -4.62 0 N-CA-C 107.976 -2.05 . . . . 55.01 107.976 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.491 HD11 HD13 ' A' ' 676' ' ' ILE . 6.7 mp -103.47 -30.76 10.34 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.983 -1.108 . . . . 65.11 108.093 176.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.53 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 83.32 53.79 3.34 Favored Glycine 0 N--CA 1.406 -3.348 0 N-CA-C 109.487 -1.445 . . . . 74.21 109.487 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.0 t -136.17 153.25 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 106.649 -1.611 . . . . 64.32 106.649 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.9 m -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.826 -1.175 . . . . 51.24 107.826 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 642' ' ' LEU . 6.6 m -124.4 159.93 29.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 O-C-N 123.546 0.529 . . . . 61.33 111.16 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.516 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 62.6 pttt -150.08 155.14 39.33 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-N 115.458 -0.792 . . . . 51.21 109.104 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -103.71 125.69 8.52 Favored Glycine 0 C--N 1.282 -2.444 0 C-N-CA 118.762 -1.685 . . . . 70.41 111.505 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -94.75 130.13 41.4 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.017 -1.475 . . . . 72.23 107.017 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 17.3 ttp180 -133.75 129.86 37.25 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 120.963 0.411 . . . . 74.13 111.157 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 613' ' ' ASN . 49.7 m -86.92 114.75 23.82 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.342 -0.845 . . . . 65.35 108.741 178.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -80.61 -36.13 33.16 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 116.059 -0.519 . . . . 65.34 111.291 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 612' ' ' GLU . 0.0 OUTLIER -74.73 -34.69 62.6 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.509 0.671 . . . . 71.13 109.381 178.735 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 610' ' ' SER . 33.3 m-80 -76.47 -21.08 56.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.189 -0.914 . . . . 73.44 110.858 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.9 m80 61.39 35.68 17.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.742 0.782 . . . . 64.53 109.782 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -146.46 141.69 27.36 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.196 -0.911 . . . . 72.0 109.877 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.2 p-10 -79.07 153.11 30.44 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.772 -0.455 . . . . 75.31 109.772 176.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.53 -5.25 27.19 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.417 -0.957 . . . . 63.44 108.417 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.52 -166.39 15.08 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.633 -1.167 . . . . 71.43 112.164 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.428 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 44.9 mm -98.25 133.69 39.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.445 -0.946 . . . . 74.4 108.445 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 88.4 m-85 -127.59 152.84 47.13 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 122.51 0.324 . . . . 75.34 110.944 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.06 136.75 24.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.799 -0.637 . . . . 73.12 109.51 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.516 ' HD2' ' HB3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -116.57 -35.14 4.32 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.04 0.447 . . . . 73.31 111.682 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 48.5 m -148.75 138.92 22.34 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.555 -0.293 . . . . 62.23 110.425 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.28 128.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 108.147 -1.057 . . . . 53.35 108.147 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 68.6 mt -90.83 113.92 27.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 109.539 -0.541 . . . . 74.2 109.539 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -61.5 126.84 28.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.319 -0.855 . . . . 71.42 109.408 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.79 -22.66 25.52 Favored Glycine 0 C--N 1.303 -1.3 0 N-CA-C 111.038 -0.825 . . . . 74.23 111.038 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -65.25 153.89 50.47 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.555 -0.322 . . . . 72.3 112.705 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.946 0.403 . . . . 61.11 111.121 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.01 -26.8 63.28 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.572 0.701 . . . . 64.52 109.342 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.0 m -73.31 -51.82 16.15 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 114.414 -1.266 . . . . 53.04 110.005 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.48 -52.87 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.275 0.472 . . . . 54.21 112.275 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.52 -51.04 9.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.968 0.729 . . . . 74.12 112.968 -171.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.65 7.84 Favored Glycine 0 C--N 1.318 -0.43 0 C-N-CA 120.487 -0.863 . . . . 54.14 114.095 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 68.38 82.77 0.17 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.951 0.882 . . . . 74.12 110.781 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.51 163.98 12.08 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.09 -0.959 . . . . 64.14 111.411 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.547 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 9.5 ptt-85 -112.4 163.1 14.82 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.318 -1.31 . . . . 63.1 111.255 -175.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 47.8 t -81.32 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.122 -0.944 . . . . 71.31 109.157 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' ASN . . . . . 0.683 ' OD1' ' HD2' ' A' ' 686' ' ' ARG . 2.3 t-20 73.33 18.24 3.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.172 1.389 . . . . 73.41 112.092 176.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.845 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 11.9 t70 -81.1 153.14 27.47 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.383 -1.71 . . . . 74.13 106.383 173.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 641' ' ' GLN . . . . . 0.407 ' HB2' ' CE2' ' A' ' 620' ' ' PHE . 0.1 OUTLIER -105.47 115.92 31.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 118.525 0.602 . . . . 64.22 109.638 -174.425 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.49 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.7 mp -72.64 118.32 15.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.558 0.694 . . . . 61.43 111.668 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.407 HG13 ' CE2' ' A' ' 586' ' ' PHE . 45.7 mm -95.06 -62.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.092 -0.958 . . . . 71.35 111.744 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -132.97 140.73 47.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 115.675 -0.693 . . . . 64.11 110.958 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.51 HG21 ' CD2' ' A' ' 662' ' ' LEU . 32.8 t -125.08 119.05 54.74 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 N-CA-C 107.741 -1.207 . . . . 72.13 107.741 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 49.91 44.48 25.33 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.391 0.615 . . . . 43.14 111.351 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 73.24 0.09 50.75 Favored Glycine 0 CA--C 1.541 1.67 0 CA-C-N 115.192 -0.913 . . . . 73.42 114.479 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.87 127.1 41.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.362 0.581 . . . . 73.34 109.494 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 31.5 t -94.07 148.93 21.69 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.677 0.751 . . . . 72.24 111.932 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.59 -6.63 17.88 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.202 -0.908 . . . . 70.22 109.804 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.17 100.01 1.59 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.902 -0.59 . . . . 54.12 111.41 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 132.35 -14.38 5.09 Favored Glycine 0 C--N 1.3 -1.46 0 C-N-CA 120.344 -0.931 . . . . 53.43 112.197 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -110.22 149.22 30.45 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 120.901 -0.32 . . . . 64.51 110.143 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.456 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -59.91 164.36 3.92 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.909 0.756 . . . . 70.5 111.813 -177.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -54.35 -47.12 72.93 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.806 0.443 . . . . 64.04 112.047 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -73.07 -34.99 66.58 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.588 -0.445 . . . . 64.22 111.302 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' GLU . . . . . 0.456 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 41.0 mm-40 -61.53 -46.3 90.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.423 -0.955 . . . . 75.23 108.423 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.34 -47.34 81.83 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.225 -1.352 . . . . 75.45 110.622 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.506 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.3 mtt -60.47 -37.13 80.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.855 1.058 . . . . 45.04 113.855 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.42 -48.37 75.64 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.022 -0.733 . . . . 64.0 109.022 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 82.9 m -65.27 -35.15 80.14 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.316 -0.857 . . . . 75.24 109.714 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.51 ' CD2' HG21 ' A' ' 645' ' ' VAL . 2.6 tm? -63.92 -56.11 17.7 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 124.302 1.041 . . . . 70.11 109.743 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 659' ' ' MET . 80.8 mtp180 -56.77 -46.29 81.55 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.361 0.6 . . . . 72.33 110.382 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -63.99 -48.29 77.0 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.0 -1.0 . . . . 74.21 111.949 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 33.6 m -75.66 -32.88 60.36 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.79 -0.764 . . . . 65.13 111.581 -174.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 4.3 ppp? -72.52 -30.83 64.83 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.609 -0.437 . . . . 74.3 110.695 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.06 -55.9 3.27 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.558 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.2 m -62.75 -47.5 83.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.667 0.617 . . . . 74.43 112.667 -174.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 7.5 tp10 -87.83 -35.6 17.71 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.267 0.556 . . . . 72.22 109.577 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.25 -51.28 56.12 Favored Glycine 0 C--O 1.238 0.36 0 CA-C-N 116.02 -0.537 . . . . 55.42 113.141 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -77.67 -2.88 38.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.751 0.786 . . . . 61.13 110.118 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -87.0 -46.9 9.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.772 -0.649 . . . . 72.22 109.486 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 14.4 mmt180 -78.84 -27.99 44.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.728 -0.669 . . . . 61.54 110.193 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.63 -13.36 62.64 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.179 -1.168 . . . . 72.45 110.179 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.428 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 23.1 ptm -148.27 145.81 28.35 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 108.619 -0.882 . . . . 41.52 108.619 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.491 HD13 HD11 ' A' ' 601' ' ' LEU . 6.9 tt -111.25 143.44 21.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.317 0 CA-C-N 115.573 -0.74 . . . . 73.44 110.424 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -108.94 131.37 55.1 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.141 -0.481 . . . . 73.23 109.896 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -126.53 124.57 40.32 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.839 -0.43 . . . . 74.42 109.839 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.76 121.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 105.93 -1.878 . . . . 64.24 105.93 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.845 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.1 m -122.98 152.93 27.85 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.326 0 O-C-N 123.489 0.493 . . . . 64.35 109.758 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 681' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -127.7 126.15 41.35 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 120.959 0.409 . . . . 53.5 111.654 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.447 ' O ' ' HD2' ' A' ' 682' ' ' ARG . 6.3 ppt_? -110.77 123.65 50.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.869 -1.16 . . . . 75.23 107.869 175.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 683' ' ' ARG . . . . . 0.485 ' HG3' ' HB2' ' A' ' 686' ' ' ARG 0.26 37.2 ptt180 -91.25 137.39 32.4 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 112.98 0.733 . . . . 71.41 112.98 -176.503 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.65 -10.93 13.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.889 0.852 . . . . 63.14 111.363 -172.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 38.6 m -95.37 14.4 22.6 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.75 -0.659 . . . . 60.4 109.67 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 686' ' ' ARG . . . . . 0.683 ' HD2' ' OD1' ' A' ' 639' ' ' ASN . 0.0 OUTLIER -98.38 104.43 16.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.049 -1.463 . . . . 54.33 107.049 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.4 p -78.26 94.41 4.79 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.275 0.559 . . . . 74.53 110.905 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -93.66 118.29 31.2 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.77 -0.456 . . . . 70.3 109.77 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.309 -1.184 0 N-CA-C 108.071 -1.085 . . . . 74.34 108.071 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.304 -0.628 . . . . 73.22 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 84.8 mt 53.41 75.15 0.27 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.324 -1.307 . . . . 72.11 112.852 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.54 -1.81 3.86 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.894 -0.78 . . . . 42.41 108.894 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 772' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' B' ' 772' ' ' GLU . 1.3 mp0 -63.14 113.91 3.43 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 114.614 -1.175 . . . . 72.43 110.361 -176.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 773' ' ' LEU . . . . . 0.532 ' H ' HD23 ' B' ' 773' ' ' LEU . 2.0 pt? -121.44 153.04 38.41 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.21 -0.663 . . . . 74.14 109.21 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -125.16 109.87 13.4 Favored 'General case' 0 N--CA 1.401 -2.911 0 N-CA-C 104.741 -2.318 . . . . 73.54 104.741 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -70.45 69.54 0.7 Allowed Glycine 0 N--CA 1.429 -1.816 0 N-CA-C 116.798 1.479 . . . . 63.43 116.798 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 61.9 p -168.36 88.79 0.24 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.645 1.178 . . . . 74.53 108.838 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.58 165.82 17.3 Favored Pre-proline 0 C--N 1.304 -1.373 0 CA-C-N 115.934 -0.575 . . . . 70.43 109.958 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.46 -10.03 12.53 Favored 'Trans proline' 0 C--N 1.364 1.382 0 C-N-CA 123.277 2.651 . . . . 72.42 115.209 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -94.38 -2.97 51.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.229 0.538 . . . . 74.13 110.362 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -95.99 8.83 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.144 0.973 . . . . 64.13 108.722 175.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.438 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.4 mt-10 -115.81 136.39 53.09 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 113.293 -1.776 . . . . 75.41 107.871 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.402 ' CD2' HD12 ' A' ' 662' ' ' LEU . 63.9 tp -137.11 130.81 31.77 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 109.851 -0.425 . . . . 73.13 109.851 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 783' ' ' ILE . . . . . 0.406 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.4 mp -101.53 127.85 54.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.841 -0.429 . . . . 71.44 109.841 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.507 HG21 HD11 ' A' ' 662' ' ' LEU . 15.6 pt . . . . . 0 N--CA 1.412 -2.331 0 CA-C-O 118.232 -0.89 . . . . 64.23 109.771 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.473 0 N-CA-C 111.07 -0.812 . . . . 74.41 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.9 p -90.42 -64.18 1.17 Allowed 'General case' 0 N--CA 1.431 -1.379 0 C-N-CA 122.581 0.353 . . . . 75.22 111.531 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -76.14 107.43 8.36 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 113.385 0.883 . . . . 71.41 113.385 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 75.17 -173.17 53.03 Favored Glycine 0 N--CA 1.428 -1.889 0 CA-C-N 114.741 -1.118 . . . . 73.55 111.827 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 17.8 p -95.12 92.82 7.0 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-O 120.908 0.385 . . . . 43.41 110.37 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -146.48 140.72 26.43 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 116.341 -0.39 . . . . 64.22 110.378 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.2 162.65 15.74 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.48 122.46 39.41 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 116.383 -0.372 . . . . 73.4 111.263 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.38 131.7 54.83 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 116.007 -0.542 . . . . 73.12 109.723 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 47.8 m -104.37 121.5 43.51 Favored 'General case' 0 C--N 1.266 -3.034 0 CA-C-N 115.21 -0.905 . . . . 70.55 109.741 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -121.34 126.45 49.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.558 -0.904 . . . . 71.23 108.558 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.57 120.79 43.28 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 121.558 0.695 . . . . 54.21 109.599 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 676' ' ' ILE . 83.7 t -108.04 118.22 53.19 Favored Pre-proline 0 C--N 1.279 -2.469 0 CA-C-N 114.496 -1.229 . . . . 72.11 109.525 -172.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.4 Cg_endo -75.02 145.83 31.84 Favored 'Trans proline' 0 N--CA 1.441 -1.567 0 C-N-CA 121.586 1.524 . . . . 65.43 111.24 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.4 80.24 4.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.663 0.744 . . . . 71.11 109.5 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 596' ' ' SER . 86.1 m-20 -120.54 -65.61 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.546 -1.206 . . . . 62.1 110.358 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.47 15.37 3.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.941 0.877 . . . . 71.14 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.683 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 21.6 m -78.45 8.81 4.6 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.071 1.348 . . . . 71.13 112.671 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.38 -22.55 40.28 Favored Glycine 0 N--CA 1.421 -2.366 0 C-N-CA 120.026 -1.083 . . . . 54.12 111.913 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 23.7 t -92.89 -30.99 15.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.07 0.938 . . . . 62.44 109.763 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.683 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -164.18 155.03 15.41 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 103.907 -2.627 . . . . 72.53 103.907 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -65.06 -55.82 19.59 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 111.301 -0.719 . . . . 51.1 111.301 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 676' ' ' ILE . 12.0 mt -112.42 -32.65 6.42 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.734 -0.839 . . . . 52.43 108.734 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 91.73 41.05 5.14 Favored Glycine 0 N--CA 1.411 -3.005 0 N-CA-C 109.759 -1.336 . . . . 71.23 109.759 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.35 152.56 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 N-CA-C 106.912 -1.514 . . . . 72.13 106.912 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.445 ' C ' ' HB3' ' A' ' 622' ' ' LYS . 24.7 m -109.92 136.94 48.42 Favored 'General case' 0 C--N 1.267 -2.999 0 N-CA-C 106.265 -1.754 . . . . 54.41 106.265 171.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 621' ' ' VAL . 3.7 m -126.67 163.5 28.92 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-O 121.158 0.504 . . . . 75.35 111.129 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.611 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 60.0 pttt -149.62 152.29 35.18 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.039 -0.982 . . . . 74.54 109.603 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.8 134.85 12.3 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.908 -1.139 . . . . 62.33 111.233 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.94 139.63 40.19 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.908 -0.775 . . . . 63.23 108.908 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.7 ttt180 -133.18 139.54 47.08 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 108.153 -1.054 . . . . 75.34 108.153 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.462 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 40.7 m -56.9 113.94 1.89 Allowed 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 123.914 0.759 . . . . 70.1 110.406 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.578 ' HD2' ' O ' ' B' ' 775' ' ' GLY . 48.2 mtmt -59.14 -40.16 84.66 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 124.478 1.111 . . . . 73.32 111.724 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -104.86 -39.23 6.36 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.98 -0.555 . . . . 61.12 111.66 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 11.6 t30 -74.35 -18.26 60.71 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.186 0.517 . . . . 72.3 111.619 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 31.8 m170 68.79 7.19 5.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.977 1.473 . . . . 72.23 114.977 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -102.73 151.89 21.86 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.598 -0.889 . . . . 50.41 108.598 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.1 p-10 -78.75 145.09 34.62 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.479 -0.489 . . . . 74.14 111.082 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.49 -7.61 37.62 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.367 -0.975 . . . . 72.42 108.367 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.72 -177.64 23.64 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 114.423 -1.262 . . . . 55.21 112.834 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.414 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.3 mm -93.22 130.83 41.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 109.27 -0.641 . . . . 74.31 109.27 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.3 m-85 -123.83 152.61 42.1 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 122.655 0.382 . . . . 74.21 110.436 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 605' ' ' VAL . 68.5 t -66.19 127.08 26.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.798 0.808 . . . . 70.1 110.672 174.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.445 ' HB3' ' C ' ' A' ' 604' ' ' SER . 39.9 tttp -92.87 -59.13 2.13 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 114.263 -1.335 . . . . 64.2 110.608 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.0 m -150.24 146.46 26.83 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.664 -0.495 . . . . 74.11 109.664 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.85 130.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.618 -0.512 . . . . 75.14 109.618 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -91.45 113.28 26.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.055 -1.461 . . . . 74.14 107.055 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.08 81.28 5.36 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 122.07 0.938 . . . . 74.31 110.239 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 163.55 45.07 0.02 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 N-CA-C 108.61 -1.796 . . . . 55.12 108.61 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -148.78 159.32 27.99 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.242 -1.143 . . . . 74.54 110.242 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.48 72.52 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 112.173 0.435 . . . . 62.1 112.173 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.31 -26.51 63.81 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.566 0.698 . . . . 72.54 110.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 12.8 m -72.4 -52.86 14.14 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.74 -1.118 . . . . 52.15 109.756 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.67 -52.58 10.19 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.462 0.541 . . . . 64.04 112.462 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.89 -51.26 9.33 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.668 -0.413 . . . . 75.33 110.747 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -62.63 -42.63 99.67 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.284 -0.871 . . . . 54.43 114.087 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 68.0 32.37 5.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.737 0.415 . . . . 63.34 111.387 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.98 158.88 34.8 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.982 0.734 . . . . 74.42 112.982 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 640' ' ' ASP . 1.4 ppt_? -114.74 158.16 22.2 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.514 -1.221 . . . . 75.42 112.024 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.32 143.85 14.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.325 -0.398 . . . . 63.42 110.364 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 66.51 29.19 9.2 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.85 1.26 . . . . 64.52 109.804 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.781 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 9.0 t70 -82.0 146.25 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.728 -1.582 . . . . 71.15 106.728 173.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.89 112.52 24.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.861 -0.792 . . . . 74.3 108.861 -176.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.5 mp -73.29 112.82 9.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.61 -0.723 . . . . 72.43 110.747 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.405 HD12 HD12 ' A' ' 651' ' ' LEU . 35.0 mm -90.88 -54.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.27 -0.877 . . . . 54.11 111.541 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -142.29 152.14 42.7 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.295 0.48 . . . . 71.13 112.295 -173.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 650' ' ' LEU . 33.3 m -132.11 134.85 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.165 -0.47 . . . . 73.11 110.19 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 45.23 36.07 2.04 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.144 1.164 . . . . 72.24 114.144 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.02 37.87 Favored Glycine 0 C--N 1.313 -0.715 0 C-N-CA 119.872 -1.156 . . . . 61.43 114.976 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.52 131.76 37.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 118.336 1.068 . . . . 74.04 111.305 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.6 m -79.32 128.76 33.73 Favored 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 123.574 0.546 . . . . 75.13 109.749 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 645' ' ' VAL . 7.7 mp -101.22 -15.98 17.14 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.285 -0.416 . . . . 72.33 111.098 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 643' ' ' ILE . 5.3 tt -71.28 93.41 1.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.617 -1.253 . . . . 61.14 107.617 177.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.4 -32.39 0.64 Allowed Glycine 0 C--N 1.298 -1.573 0 N-CA-C 109.962 -1.255 . . . . 73.22 109.962 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -92.63 162.3 14.23 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.325 -0.62 . . . . 72.24 109.325 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.9 167.34 15.9 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 123.322 0.389 . . . . 54.12 110.848 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.649 ' O ' ' HG3' ' A' ' 659' ' ' MET . 92.1 m-20 -58.21 -47.95 81.87 Favored 'General case' 0 CA--C 1.492 -1.277 0 C-N-CA 121.3 -0.16 . . . . 52.21 110.89 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 660' ' ' GLU . 88.0 mt-30 -54.53 -44.77 73.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.244 0.545 . . . . 74.31 110.518 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -65.07 -48.07 75.07 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.972 -1.013 . . . . 72.22 109.98 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.22 86.03 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.214 -0.903 . . . . 70.22 110.979 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.649 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.9 mtp -64.75 -40.48 95.36 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.611 -0.268 . . . . 71.41 110.862 -177.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.5 mt-10 -68.46 -40.4 81.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.805 -0.758 . . . . 54.42 110.432 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.3 m -65.41 -40.02 92.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.24 0.543 . . . . 52.14 109.857 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 666' ' ' MET . 39.1 tp -59.75 -55.87 28.96 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.164 0.986 . . . . 72.4 111.633 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 659' ' ' MET . 16.4 ptm180 -68.69 -30.3 68.93 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.244 -0.582 . . . . 74.11 111.284 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -72.33 -42.42 65.39 Favored 'General case' 0 C--O 1.2 -1.547 0 CA-C-N 116.509 -0.314 . . . . 73.14 110.995 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 51.3 m -66.39 -34.01 76.99 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.66 -0.416 . . . . 73.15 111.392 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.453 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 19.6 ptp -77.16 -18.37 57.89 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.697 -0.401 . . . . 72.51 111.824 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.2 t -92.57 -55.96 3.2 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.221 0.534 . . . . 74.42 109.626 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 41.7 m -71.06 -48.33 53.32 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.698 -0.683 . . . . 63.3 111.906 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.31 -15.33 21.97 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.084 -0.647 . . . . 62.52 111.754 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -62.92 -71.19 0.87 Allowed Glycine 0 C--O 1.255 1.434 0 N-CA-C 111.075 -0.81 . . . . 43.41 111.075 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -79.04 79.55 5.43 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.28 -1.007 . . . . 65.25 108.28 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -175.5 -54.9 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.592 -1.64 . . . . 75.14 107.789 -176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -84.11 -41.34 17.21 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.392 -0.822 . . . . 73.13 109.678 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 112.91 -24.38 13.04 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.315 -1.114 . . . . 44.11 110.315 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.44 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.8 ptt? -146.17 153.71 40.96 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.804 -0.443 . . . . 65.3 109.804 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.63 HG21 HD21 ' A' ' 601' ' ' LEU . 3.6 tt -111.67 139.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 CA-C-N 115.072 -0.967 . . . . 75.34 109.73 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -102.39 130.13 49.07 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.655 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.7 124.03 42.47 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 116.053 -0.521 . . . . 63.3 109.653 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -105.03 119.52 54.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.404 -1.702 . . . . 73.13 106.404 171.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.781 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 23.4 m -122.78 162.71 22.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 108.717 -0.846 . . . . 64.31 108.717 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.03 125.97 54.31 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 121.242 0.544 . . . . 72.23 110.035 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -108.09 120.48 42.46 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.307 0.575 . . . . 74.31 110.078 -176.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -73.92 123.66 24.68 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 114.592 -1.185 . . . . 71.11 110.131 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 60.2 mt -93.88 99.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 N-CA-C 107.585 -1.265 . . . . 75.03 107.585 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 23.2 t -170.76 144.06 2.22 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.164 -1.38 . . . . 61.33 107.447 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -108.79 155.73 20.43 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.917 -0.401 . . . . 72.34 109.917 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 43.9 t 73.72 -38.39 0.4 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 54.14 112.242 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -71.7 119.18 15.49 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.228 -0.656 . . . . 74.52 109.228 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 109.775 -0.454 . . . . 70.24 109.775 -178.414 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 C--O 1.245 0.852 0 N-CA-C 110.06 -0.348 . . . . 71.21 110.06 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 86.1 mt 54.31 78.8 0.15 Allowed 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.466 1.106 . . . . 72.34 111.625 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -106.11 101.92 11.37 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.308 -0.86 . . . . 74.43 110.653 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -127.25 155.45 43.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.04 -1.096 . . . . 74.24 108.04 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 773' ' ' LEU . . . . . 0.642 ' O ' HD13 ' B' ' 773' ' ' LEU . 3.3 tm? 72.63 5.0 5.15 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 123.323 1.535 . . . . 72.01 107.943 -175.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -132.54 114.37 14.18 Favored 'General case' 0 N--CA 1.41 -2.452 0 N-CA-C 104.963 -2.236 . . . . 75.21 104.963 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 775' ' ' GLY . . . . . 0.578 ' O ' ' HD2' ' A' ' 611' ' ' LYS . . . -79.3 158.65 44.09 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.363 -1.399 . . . . 73.44 111.533 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 39.6 m -143.62 151.64 40.4 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 106.053 -1.832 . . . . 61.2 106.053 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.26 149.14 98.59 Favored Pre-proline 0 C--N 1.288 -2.082 0 N-CA-C 109.259 -0.645 . . . . 75.41 109.259 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.31 1.01 3.31 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.068 2.512 . . . . 73.25 114.748 -174.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 62.82 92.49 0.06 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.477 1.111 . . . . 74.15 111.543 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 780' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.2 mt-10 -122.46 94.02 4.16 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.542 -0.91 . . . . 73.21 108.542 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.611 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 44.4 mt-10 -118.8 136.86 53.77 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.812 -0.631 . . . . 75.3 112.19 -175.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.7 tp -135.67 132.41 36.93 Favored 'General case' 0 N--CA 1.422 -1.843 0 CA-C-N 115.312 -0.858 . . . . 60.04 110.269 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 783' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 604' ' ' SER . 2.0 mp -96.29 121.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 108.098 -1.075 . . . . 74.04 108.098 170.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.453 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 8.9 pt . . . . . 0 N--CA 1.403 -2.8 0 CA-C-O 117.534 -1.222 . . . . 38.96 110.864 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.034 0 N-CA-C 110.43 -1.068 . . . . 50.33 110.43 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 46.4 m -142.04 22.71 2.07 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 117.175 0.488 . . . . 64.15 110.102 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.74 117.26 4.39 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.94 -0.573 . . . . 63.53 112.07 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 149.05 155.47 6.74 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.89 -1.284 . . . . 74.13 109.89 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 12.3 t -84.61 7.41 20.28 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 122.467 1.127 . . . . 73.35 110.508 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 154.31 49.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 114.914 -1.039 . . . . 75.02 108.566 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.66 163.24 13.66 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.655 -0.869 . . . . 73.51 108.655 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.12 129.48 54.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.976 0.417 . . . . 73.41 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.66 131.16 55.48 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.958 -0.756 . . . . 62.22 108.958 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 37.7 m -110.5 122.07 46.84 Favored 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 115.243 -0.89 . . . . 73.52 109.063 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -121.27 134.36 55.16 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 108.912 -0.773 . . . . 74.54 108.912 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.71 113.94 21.41 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.759 -0.83 . . . . 64.05 108.759 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.441 HG23 HD21 ' A' ' 678' ' ' LEU . 98.7 t -110.31 117.18 51.89 Favored Pre-proline 0 C--N 1.27 -2.87 0 CA-C-N 114.453 -1.249 . . . . 73.5 110.871 -169.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 148.87 49.93 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.749 1.633 . . . . 65.31 110.35 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.82 78.98 0.87 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.848 0.832 . . . . 75.22 111.285 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -114.29 119.15 36.01 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.741 -1.118 . . . . 61.41 110.636 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 18.5 t70 63.98 24.09 13.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.861 1.315 . . . . 73.34 108.566 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 49.1 m -75.14 11.06 1.25 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.673 -1.603 . . . . 64.34 113.473 -175.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.28 -34.49 20.27 Favored Glycine 0 N--CA 1.419 -2.46 0 C-N-CA 119.799 -1.191 . . . . 61.13 110.874 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -84.09 -43.56 14.94 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.776 0.798 . . . . 74.43 109.548 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -149.09 132.87 16.96 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 106.561 -1.644 . . . . 71.41 106.561 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 596' ' ' SER . . . -61.98 -60.82 7.43 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 124.006 0.816 . . . . 73.55 111.988 -173.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.447 HD11 HG21 ' A' ' 676' ' ' ILE . 6.5 mp -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.163 -1.051 . . . . 74.31 108.163 176.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.495 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 79.71 48.74 6.48 Favored Glycine 0 N--CA 1.402 -3.579 0 CA-C-N 114.421 -1.263 . . . . 52.42 109.986 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.67 151.14 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 N-CA-C 106.625 -1.621 . . . . 73.34 106.625 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.7 m -113.43 134.02 54.88 Favored 'General case' 0 N--CA 1.406 -2.626 0 N-CA-C 107.177 -1.416 . . . . 70.51 107.177 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.463 HG11 ' CD2' ' A' ' 642' ' ' LEU . 2.9 m -124.55 160.75 28.92 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 CA-C-O 121.33 0.586 . . . . 74.44 111.805 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.458 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.5 153.06 36.63 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.835 -1.075 . . . . 74.42 109.452 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -124.85 139.38 11.68 Favored Glycine 0 C--N 1.275 -2.831 0 C-N-CA 119.894 -1.146 . . . . 63.34 111.792 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -123.58 140.33 53.11 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 120.969 0.414 . . . . 74.21 111.37 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.531 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 55.3 ttp180 -129.7 125.74 36.67 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.215 -0.661 . . . . 73.11 109.215 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.441 ' HB3' ' OE2' ' A' ' 612' ' ' GLU . 45.8 m -88.7 92.65 9.29 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 108.043 -1.095 . . . . 72.43 108.043 178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.421 ' HD2' ' CA ' ' B' ' 775' ' ' GLY . 23.0 ttmm -69.2 -23.44 63.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.727 -0.67 . . . . 64.3 111.229 -173.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 610' ' ' SER . 0.0 OUTLIER -77.86 -26.9 49.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.253 0.549 . . . . 75.4 111.845 177.55 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -85.1 -22.01 29.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.352 -1.351 . . . . 75.03 107.352 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.5 m80 76.65 20.94 1.33 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.938 1.695 . . . . 75.03 110.15 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -132.57 142.28 49.08 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.113 -0.494 . . . . 70.25 111.363 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 6.4 p-10 -85.14 143.33 28.89 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.929 -0.767 . . . . 72.5 108.929 177.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 74.4 mt -90.97 -10.89 40.7 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.991 -0.744 . . . . 64.1 108.991 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 94.17 -167.42 27.75 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.023 -0.99 . . . . 52.54 111.925 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 42.9 mm -99.53 136.34 31.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.509 -0.923 . . . . 61.24 108.509 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 94.9 m-85 -128.32 147.25 50.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 123.309 0.381 . . . . 73.5 110.445 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.455 ' HA ' HG12 ' A' ' 605' ' ' VAL . 62.6 t -68.9 126.68 29.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 109.137 -0.69 . . . . 62.31 109.137 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -98.68 -42.78 7.08 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 120.786 0.327 . . . . 70.32 111.236 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 31.2 t -149.68 145.03 26.49 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.822 -0.436 . . . . 72.52 109.822 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.53 129.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 108.963 -0.754 . . . . 63.25 108.963 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.58 120.26 39.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 109.246 -0.65 . . . . 70.23 109.246 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -68.8 128.63 37.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.022 -0.535 . . . . 70.13 110.2 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 103.92 -8.19 49.86 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 110.881 -0.887 . . . . 75.34 110.881 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -74.67 146.59 35.71 Favored Glycine 0 N--CA 1.433 -1.544 0 N-CA-C 110.69 -0.964 . . . . 51.1 110.69 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.53 84.18 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.964 0.382 . . . . 63.54 111.395 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.26 70.63 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-O 121.398 0.618 . . . . 72.34 109.853 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 -52.16 18.88 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.808 -1.087 . . . . 65.32 109.603 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.73 -50.86 39.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.625 0.602 . . . . 72.41 112.625 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -79.35 -51.21 9.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 72.14 112.567 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -82.73 -41.96 8.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.585 -0.734 . . . . 74.32 114.788 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 64.34 79.08 0.27 Allowed 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.43 0.633 . . . . 74.44 111.153 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.57 -178.21 4.33 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.92 -0.582 . . . . 60.3 110.125 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.438 ' HD3' ' OD1' ' A' ' 688' ' ' ASN . 17.4 ptp180 -129.28 168.35 16.35 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.631 -176.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.3 t -83.0 152.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.279 -1.008 . . . . 61.35 108.279 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 62.8 31.62 16.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 122.35 1.072 . . . . 71.44 109.26 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.657 ' OD2' ' HB ' ' A' ' 680' ' ' VAL . 5.5 t70 -97.41 144.14 27.44 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 106.87 -1.53 . . . . 72.14 106.87 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.19 115.43 28.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.921 0.391 . . . . 75.13 110.782 -169.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.463 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.3 mp -75.49 124.73 27.68 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.507 0.723 . . . . 74.45 112.365 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.2 mm -102.39 -54.72 6.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.47 -0.786 . . . . 72.42 111.83 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.471 ' HB3' HD12 ' A' ' 679' ' ' ILE . . . -141.04 157.23 45.6 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.923 -0.581 . . . . 75.33 111.487 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.07 131.02 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 115.63 -0.714 . . . . 64.43 110.317 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.529 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 81.9 m-20 52.67 22.76 2.37 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.963 1.468 . . . . 65.03 114.963 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.7 -12.49 56.48 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.749 -0.738 . . . . 74.31 112.911 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -101.74 126.39 48.59 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 109.51 -0.552 . . . . 73.14 109.51 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 52.8 p -84.88 130.07 34.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.003 0.43 . . . . 74.42 111.962 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 658' ' ' ALA . 1.7 pp -110.94 0.56 17.11 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 112.783 0.66 . . . . 72.31 112.783 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 56.1 tp -80.39 82.99 6.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.654 0.74 . . . . 71.44 109.816 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.1 0.02 OUTLIER Glycine 0 C--N 1.302 -1.334 0 CA-C-N 114.605 -1.18 . . . . 53.32 110.343 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.5 OUTLIER -161.21 179.77 8.09 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.425 -1.324 . . . . 74.43 107.425 -177.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.421 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -74.1 164.65 26.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.762 0.315 . . . . 34.41 111.006 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.531 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 10.2 m120 -62.19 -47.25 85.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.608 . . . . 75.44 110.734 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 10.4 pt20 -61.37 -40.26 93.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.863 -0.608 . . . . 75.54 110.915 178.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' GLU . . . . . 0.421 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 63.7 mm-40 -62.22 -45.2 94.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.142 0.496 . . . . 61.31 109.701 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.468 ' HB1' HD13 ' A' ' 650' ' ' LEU . . . -59.69 -45.46 92.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.145 -0.934 . . . . 71.34 111.189 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.691 ' HB3' HD22 ' B' ' 782' ' ' LEU . 34.1 mtm -73.66 -28.33 61.71 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 119.569 -0.853 . . . . 75.51 112.51 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 20.0 mm-40 -65.15 -39.05 92.46 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.76 -0.83 . . . . 75.42 108.76 171.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.2 m -61.02 -42.16 97.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.359 -0.837 . . . . 64.44 109.285 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 -53.35 59.23 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.474 -0.33 . . . . 71.21 110.423 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 659' ' ' MET . 83.8 mtp180 -54.6 -44.96 73.5 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.835 0.709 . . . . 72.3 110.671 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.9 -50.34 56.79 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.689 -0.687 . . . . 70.22 111.22 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 19.3 m -68.39 -36.98 79.94 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 111.711 0.263 . . . . 74.25 111.711 -173.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.607 ' SD ' HG22 ' B' ' 784' ' ' ILE . 20.0 ptm -70.54 -23.67 62.67 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.76 -0.376 . . . . 73.31 110.917 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 45.2 t -92.7 -57.1 2.77 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 116.402 -0.363 . . . . 71.34 110.097 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 59.7 m -67.46 -53.07 32.09 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.879 -0.601 . . . . 71.32 111.522 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.85 -41.31 21.19 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.541 -0.464 . . . . 74.21 111.487 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -52.2 -51.16 43.13 Favored Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.406 0.441 . . . . 74.31 113.812 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -75.15 -7.91 55.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.441 0.534 . . . . 75.12 112.441 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.57 -46.19 6.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.443 0.64 . . . . 72.25 109.729 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -70.14 -31.01 68.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.418 -0.81 . . . . 71.2 110.347 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.0 -22.73 37.91 Favored Glycine 0 C--O 1.238 0.369 0 N-CA-C 110.933 -0.867 . . . . 71.44 110.933 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 20.9 ptp -145.66 154.87 42.58 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 107.818 -1.178 . . . . 71.01 107.818 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.529 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 9.5 tt -110.4 130.21 64.09 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-O 121.64 0.733 . . . . 52.32 110.623 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -96.78 128.64 43.93 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 114.838 -1.074 . . . . 61.3 108.913 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 678' ' ' LEU . 0.7 OUTLIER -130.19 126.14 36.69 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-O 121.506 0.67 . . . . 64.24 111.194 177.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 644' ' ' ALA . 88.1 mt -107.41 120.82 59.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-N 114.577 -1.192 . . . . 62.24 108.446 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.657 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.3 m -123.19 155.61 29.1 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.493 0 CA-C-N 115.126 -0.943 . . . . 73.42 110.234 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.739 0.781 . . . . 71.31 111.624 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 637' ' ' ARG . 8.2 tpp180 -110.47 121.3 44.97 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.711 -1.131 . . . . 73.24 109.908 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.79 137.53 49.63 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.423 -0.808 . . . . 74.13 110.251 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.49 99.83 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 108.307 -0.997 . . . . 72.52 108.307 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 49.0 m -152.93 -162.17 1.44 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 105.406 -2.072 . . . . 63.03 105.406 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -62.24 -62.44 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.643 0.656 . . . . 74.14 110.39 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 71.5 m -157.31 -76.73 0.09 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.222 -0.658 . . . . 64.12 109.222 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' ASN . . . . . 0.438 ' OD1' ' HD3' ' A' ' 637' ' ' ARG . 14.9 m120 -143.73 -59.84 0.4 Allowed 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.361 -0.836 . . . . 73.13 109.394 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.289 -0.868 . . . . 72.22 111.294 178.203 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 83.5 mtp . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.777 0.322 . . . . 64.41 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.64 112.93 4.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.836 -0.62 . . . . 74.03 109.752 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -156.2 99.38 1.93 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.06 0.457 . . . . 71.51 110.042 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -109.1 142.48 39.78 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 115.744 -0.662 . . . . 70.21 110.239 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -142.72 82.13 1.76 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.735 0.778 . . . . 74.23 110.704 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -81.8 -41.44 21.11 Favored 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 106.631 -1.618 . . . . 72.24 106.631 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 775' ' ' GLY . . . . . 0.421 ' CA ' ' HD2' ' A' ' 611' ' ' LYS . . . 137.33 109.49 0.93 Allowed Glycine 1 N--CA 1.38 -5.087 0 C-N-CA 119.689 -1.243 . . . . 53.12 113.425 176.155 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 25.7 t -153.65 130.34 10.79 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 105.702 -1.962 . . . . 64.32 105.702 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -75.2 137.16 72.1 Favored Pre-proline 0 C--N 1.301 -1.515 0 N-CA-C 109.517 -0.549 . . . . 75.51 109.517 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.45 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.683 2.255 . . . . 54.5 113.901 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 173.28 102.14 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 123.621 0.768 . . . . 54.52 109.354 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.3 134.99 35.29 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.591 -0.892 . . . . 63.11 108.591 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.8 mt-10 -141.08 131.92 25.89 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.785 0.834 . . . . 62.3 111.17 -177.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.691 HD22 ' HB3' ' A' ' 659' ' ' MET . 44.5 tp -134.78 133.4 39.81 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 115.566 -0.743 . . . . 71.2 110.248 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.63 128.58 51.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.395 -0.965 . . . . 65.03 108.395 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.607 HG22 ' SD ' ' A' ' 666' ' ' MET . 18.6 pt . . . . . 0 N--CA 1.418 -2.066 0 CA-C-N 116.867 -0.151 . . . . 63.31 110.954 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.764 0 N-CA-C 110.639 -0.984 . . . . 74.24 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 51.1 m -109.83 116.32 31.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.625 -0.509 . . . . 72.22 109.625 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -153.7 110.58 3.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 109.177 -0.675 . . . . 70.14 109.177 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -165.36 -134.56 1.68 Allowed Glycine 0 N--CA 1.429 -1.807 0 C-N-CA 120.515 -0.85 . . . . 61.55 112.231 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 12.4 m -91.67 -8.05 48.19 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.588 0.708 . . . . 71.21 110.059 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -141.08 153.21 45.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.08 -0.509 . . . . 72.02 110.997 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -122.45 156.63 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.922 -0.399 . . . . 63.44 109.922 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' PHE . . . . . 0.414 ' CE2' HG13 ' A' ' 643' ' ' ILE . 77.4 m-85 -97.09 137.65 35.82 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.475 0.917 . . . . 71.32 113.475 -174.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.66 132.89 41.24 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 115.033 -0.985 . . . . 73.32 108.946 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 62.8 m -109.47 122.49 47.51 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 115.802 -0.635 . . . . 72.44 109.507 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -117.59 146.83 43.36 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.825 -0.435 . . . . 62.51 109.825 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.79 132.98 53.9 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.119 0.485 . . . . 75.11 110.491 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.518 ' HB ' HG23 ' A' ' 676' ' ' ILE . 61.7 t -125.18 117.79 25.4 Favored Pre-proline 0 C--N 1.282 -2.329 0 CA-C-N 115.503 -0.771 . . . . 65.24 108.979 -173.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.08 146.58 25.68 Favored 'Trans proline' 0 N--CA 1.435 -1.936 0 N-CA-C 109.072 -1.165 . . . . 63.31 109.072 173.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.52 73.51 5.07 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.944 0.878 . . . . 70.43 110.716 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -86.21 -89.25 0.12 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 114.606 -1.179 . . . . 74.12 112.799 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -88.75 -10.47 48.17 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 109.062 -0.718 . . . . 75.53 109.062 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 40.3 m -71.85 93.24 1.3 Allowed 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 122.23 1.014 . . . . 72.3 108.951 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 598' ' ' SER . . . -155.64 -29.96 0.03 OUTLIER Glycine 0 C--N 1.282 -2.451 0 N-CA-C 108.242 -1.943 . . . . 51.15 108.242 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 598' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 597' ' ' GLY . 14.4 m -68.44 -26.39 65.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.393 1.092 . . . . 62.23 108.426 173.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -137.58 -177.56 4.85 Favored 'General case' 0 N--CA 1.4 -2.941 0 N-CA-C 104.77 -2.307 . . . . 64.04 104.77 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -77.61 -55.91 4.06 Favored Glycine 0 C--N 1.274 -2.875 0 N-CA-C 109.412 -1.475 . . . . 72.23 109.412 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 676' ' ' ILE . 21.5 mt -122.87 -43.63 2.23 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.975 -1.12 . . . . 75.11 107.975 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.612 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 110.14 47.84 0.8 Allowed Glycine 0 N--CA 1.399 -3.778 0 N-CA-C 109.253 -1.539 . . . . 51.32 109.253 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.9 t -138.47 152.5 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 107.547 -1.279 . . . . 61.33 107.547 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 21.5 m -109.97 132.85 53.78 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 621' ' ' VAL . 3.3 m -124.4 163.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.739 0.781 . . . . 73.0 111.283 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 781' ' ' GLU . 22.9 pttp -149.08 153.43 37.79 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 114.652 -1.158 . . . . 74.35 107.957 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.11 153.79 17.28 Favored Glycine 0 C--N 1.265 -3.415 0 C-N-CA 119.032 -1.556 . . . . 65.11 111.723 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -122.83 128.49 50.47 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.665 0.745 . . . . 64.12 109.939 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 45.5 ttp180 -129.43 125.79 37.31 Favored 'General case' 0 C--N 1.278 -2.504 0 N-CA-C 107.317 -1.364 . . . . 71.43 107.317 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 613' ' ' ASN . 20.6 m -81.78 104.02 11.87 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 109.026 -0.731 . . . . 71.42 109.026 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.414 ' HD3' ' HA3' ' B' ' 775' ' ' GLY . 81.4 mttt -66.62 -50.47 62.89 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 124.863 1.265 . . . . 73.21 110.427 -177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.7 -29.32 67.74 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.446 -0.797 . . . . 74.24 111.574 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 610' ' ' SER . 27.3 t-20 -88.32 -26.02 22.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.96 -0.563 . . . . 62.3 110.606 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 48.6 m80 74.71 23.27 1.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.732 1.213 . . . . 74.03 113.209 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.08 164.99 25.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.59 -0.893 . . . . 64.13 108.59 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.538 ' CG ' ' HA ' ' A' ' 654' ' ' ALA . 3.8 m-20 -98.48 151.06 21.01 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.838 -1.171 . . . . 65.34 107.838 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.53 -23.29 20.96 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.3 -1.0 . . . . 74.22 108.3 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 117.57 -160.0 13.86 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 114.754 -1.112 . . . . 61.44 110.884 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.415 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.4 mm -110.34 136.62 45.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 108.609 -0.886 . . . . 72.22 108.609 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 96.0 m-85 -125.2 145.99 49.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.886 0.374 . . . . 61.42 111.661 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.531 ' HA ' HG12 ' A' ' 605' ' ' VAL . 87.5 t -68.87 139.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 172.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -120.68 -37.14 3.05 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 116.025 -0.534 . . . . 60.12 112.115 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.4 t -148.64 136.78 21.0 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.757 -0.831 . . . . 74.41 108.757 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.0 mp -100.26 127.5 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.612 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 73.9 mt -89.11 121.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 107.741 -1.207 . . . . 72.33 107.741 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' ASN . . . . . 0.489 ' O ' ' HE3' ' A' ' 632' ' ' LYS . 3.8 p-10 -58.2 -21.47 47.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.503 0.557 . . . . 71.42 112.503 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 625' ' ' ILE . . . -96.95 67.15 0.89 Allowed Glycine 0 N--CA 1.428 -1.837 0 CA-C-N 115.864 -0.607 . . . . 71.34 111.749 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -158.62 142.87 8.75 Favored Glycine 0 N--CA 1.417 -2.58 0 C-N-CA 120.199 -1.0 . . . . 62.31 112.078 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.29 -29.69 70.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.956 0.407 . . . . 64.12 110.605 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.05 90.68 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 121.555 0.693 . . . . 71.12 109.542 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 635' ' ' ARG . 14.8 m -67.3 -42.9 82.94 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 113.754 -1.566 . . . . 73.02 110.717 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 626' ' ' ASN . 34.0 mmtp -75.1 -51.56 13.18 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.052 -0.522 . . . . 71.15 112.386 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.96 -52.05 8.79 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.223 0.823 . . . . 63.32 113.223 -174.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.59 -16.72 54.5 Favored Glycine 0 C--O 1.243 0.711 0 C-N-CA 120.704 -0.76 . . . . 41.41 113.063 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 631' ' ' SER . 30.5 ttm180 66.79 -60.69 0.34 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.656 1.582 . . . . 72.03 113.716 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 95.1 mt 62.13 -173.63 0.14 Allowed 'General case' 0 C--O 1.252 1.202 0 C-N-CA 123.476 0.71 . . . . 72.32 110.399 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.46 HH11 ' CG ' ' A' ' 640' ' ' ASP . 0.6 OUTLIER -155.21 173.12 17.07 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.581 -0.525 . . . . 70.54 109.581 176.265 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 84.9 t -80.12 147.05 6.79 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 109.117 -0.697 . . . . 65.25 109.117 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 66.11 35.39 6.22 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.086 -1.45 . . . . 63.52 107.086 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.492 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.9 t0 -94.35 130.4 40.68 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.233 -1.348 . . . . 75.24 108.911 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 681' ' ' ALA . 21.8 tp60 -86.09 110.39 19.5 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 123.413 0.446 . . . . 64.33 111.996 -172.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.4 HD11 HG23 ' A' ' 621' ' ' VAL . 7.3 mp -76.09 120.22 21.09 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 109.162 -0.681 . . . . 62.32 109.162 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.414 HG13 ' CE2' ' A' ' 586' ' ' PHE . 36.5 mm -102.2 -59.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 115.503 -0.772 . . . . 72.33 111.098 -174.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.48 137.06 39.97 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.206 -0.906 . . . . 72.24 108.746 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.547 HG11 HD23 ' A' ' 662' ' ' LEU . 34.5 m -117.45 125.02 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.306 1.051 . . . . 74.21 112.124 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.441 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 42.5 t30 52.91 38.29 26.56 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 126.642 1.977 . . . . 62.14 113.135 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.68 -3.32 60.92 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.941 -1.027 . . . . 74.3 114.167 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.96 134.81 55.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 117.445 0.622 . . . . 61.53 111.299 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' SER . . . . . 0.487 ' C ' HD12 ' A' ' 650' ' ' LEU . 48.4 m -83.24 144.76 29.54 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.473 0.916 . . . . 52.33 113.473 -175.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.513 HD11 HG22 ' A' ' 645' ' ' VAL . 6.8 mp -124.92 19.63 8.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.722 -0.672 . . . . 73.54 110.604 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.38 96.69 5.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 112.546 0.573 . . . . 65.43 112.546 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.86 -30.9 3.16 Favored Glycine 0 N--CA 1.431 -1.681 0 C-N-CA 120.271 -0.966 . . . . 71.03 112.869 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.49 154.14 40.04 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 120.769 0.319 . . . . 74.12 111.163 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.538 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -66.2 161.93 21.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 61.44 111.988 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.85 -48.3 51.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 123.589 0.556 . . . . 71.22 112.283 -178.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.1 pt20 -68.45 -38.58 81.24 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.879 -0.6 . . . . 71.3 112.594 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 18.5 mm-40 -64.36 -39.43 93.87 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.264 -1.013 . . . . 75.45 108.264 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.58 79.73 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.222 -1.354 . . . . 73.31 110.098 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.8 mtt -60.48 -40.47 91.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.281 0.475 . . . . 75.35 112.281 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 23.4 mm-40 -62.96 -44.97 94.61 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.907 0.384 . . . . 71.05 110.467 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 85.1 m -66.43 -43.59 85.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.014 -0.736 . . . . 73.32 109.014 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.547 HD23 HG11 ' A' ' 645' ' ' VAL . 0.7 OUTLIER -59.09 -56.01 27.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.063 -0.971 . . . . 74.44 112.375 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.41 ' N ' HD13 ' A' ' 662' ' ' LEU . 82.1 mtp180 -58.98 -42.3 89.63 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.267 0.556 . . . . 74.53 110.786 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.98 -50.45 55.62 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.104 -0.953 . . . . 73.25 111.769 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 669' ' ' GLU . 25.2 m -77.09 -29.02 54.75 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.73 -0.606 . . . . 71.11 111.564 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -75.65 -27.91 58.56 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.778 -0.769 . . . . 62.1 110.599 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 23.3 t -93.03 -56.23 3.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.432 -0.349 . . . . 74.43 110.448 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.4 m -64.77 -56.09 15.73 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.472 -0.331 . . . . 64.14 111.362 -175.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 665' ' ' SER . 39.7 mm-40 -74.3 -23.22 59.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.192 0.52 . . . . 54.24 110.24 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.49 -55.3 26.24 Favored Glycine 0 CA--C 1.498 -0.996 0 N-CA-C 111.114 -0.794 . . . . 64.34 111.114 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.2 -26.93 62.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.806 0.336 . . . . 70.42 110.527 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -57.11 -56.06 26.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.487 0.715 . . . . 72.23 110.005 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' ARG . . . . . 0.455 HH12 ' HB2' ' A' ' 677' ' ' GLN . 71.0 mtp180 -76.4 -39.92 52.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.477 0.656 . . . . 73.04 109.815 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.97 43.26 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.511 -1.436 . . . . 71.51 109.511 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.6 ptm -144.86 153.37 41.52 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.497 -0.851 . . . . 62.32 108.821 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.661 HG21 HD21 ' A' ' 601' ' ' LEU . 10.9 tt -115.28 144.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 CA-C-N 115.421 -0.809 . . . . 54.1 111.009 -176.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 677' ' ' GLN . . . . . 0.455 ' HB2' HH12 ' A' ' 673' ' ' ARG . 35.1 tt0 -108.87 138.7 44.79 Favored 'General case' 0 C--O 1.196 -1.729 0 N-CA-C 109.35 -0.611 . . . . 65.3 109.35 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -128.47 123.07 32.7 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 121.626 -0.671 . . . . 62.22 109.49 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 679' ' ' ILE . 2.5 mp -106.08 115.92 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.69 0 N-CA-C 106.547 -1.649 . . . . 64.24 106.547 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.4 m -123.03 152.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.736 0 N-CA-C 109.015 -0.735 . . . . 65.03 109.015 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 681' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 641' ' ' GLN . . . -111.67 126.02 54.58 Favored 'General case' 0 C--N 1.271 -2.819 0 N-CA-C 106.649 -1.611 . . . . 64.21 106.649 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -107.77 129.03 55.08 Favored 'General case' 0 N--CA 1.411 -2.381 0 C-N-CA 118.838 -1.145 . . . . 72.43 108.485 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.11 122.65 21.34 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.662 -1.154 . . . . 73.11 108.927 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 61.0 mt -82.59 -38.0 14.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-O 121.872 0.844 . . . . 74.43 109.147 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 14.3 t -99.11 108.63 21.31 Favored 'General case' 0 C--N 1.274 -2.688 0 CA-C-N 114.67 -1.15 . . . . 72.53 108.637 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -136.95 28.8 2.86 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.504 -1.295 . . . . 75.03 107.504 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.18 124.22 22.48 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 113.891 -1.504 . . . . 72.0 111.043 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 68.66 87.68 0.12 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.279 1.032 . . . . 71.12 110.7 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 N-CA-C 107.663 -1.236 . . . . 65.33 107.663 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.81 0.338 . . . . 60.51 110.553 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 770' ' ' LEU . . . . . 0.534 ' O ' HD12 ' B' ' 770' ' ' LEU . 2.6 pp -147.58 115.22 6.37 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 121.687 0.756 . . . . 75.43 112.675 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -149.97 5.74 0.58 Allowed 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.411 -0.813 . . . . 72.24 109.834 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 158.99 30.64 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.099 -0.955 . . . . 62.53 113.283 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 773' ' ' LEU . . . . . 0.474 ' O ' HD12 ' B' ' 773' ' ' LEU . 2.9 pp 178.63 135.64 0.09 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.428 1.491 . . . . 52.23 110.662 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -107.43 -3.57 19.39 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 106.958 -1.497 . . . . 65.13 106.958 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 775' ' ' GLY . . . . . 0.414 ' HA3' ' HD3' ' A' ' 611' ' ' LYS . . . 159.63 170.19 23.89 Favored Glycine 0 N--CA 1.396 -3.979 0 CA-C-N 113.318 -1.764 . . . . 65.11 108.805 178.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 776' ' ' SER . . . . . 0.446 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 37.1 m -91.31 96.26 10.45 Favored 'General case' 0 C--N 1.283 -2.319 0 N-CA-C 107.478 -1.304 . . . . 63.55 107.478 175.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.38 111.2 54.4 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 114.954 -1.021 . . . . 64.35 112.623 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 778' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' B' ' 776' ' ' SER . 2.7 Cg_endo -88.76 -4.72 6.24 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 122.193 1.928 . . . . 64.52 109.417 170.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 59.82 81.45 0.17 Allowed 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.864 1.266 . . . . 73.42 108.28 -174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.65 98.39 11.4 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-O 121.96 0.886 . . . . 35.31 113.212 -171.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 606' ' ' LYS . 25.6 mt-10 -128.46 147.3 50.66 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 125.437 1.495 . . . . 72.25 109.745 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 663' ' ' ARG . 0.2 OUTLIER -146.41 134.58 21.65 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.091 -1.448 . . . . 73.24 107.091 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 783' ' ' ILE . . . . . 0.404 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -109.29 125.43 66.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.787 -0.82 . . . . 55.22 108.787 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.488 ' CG2' HD11 ' A' ' 662' ' ' LEU . 12.2 pt . . . . . 0 N--CA 1.391 -3.406 0 N-CA-C 107.419 -1.326 . . . . 62.35 107.419 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.709 0 N-CA-C 109.646 -1.382 . . . . 50.11 109.646 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 44.5 m -80.55 92.62 5.95 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 107.615 -1.254 . . . . 71.21 107.615 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -128.3 -177.29 4.1 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.601 -0.727 . . . . 61.54 109.616 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -154.75 36.73 0.67 Allowed Glycine 0 N--CA 1.422 -2.241 0 N-CA-C 111.565 -0.614 . . . . 74.42 111.565 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 10.0 t -88.98 -25.86 21.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.095 0.474 . . . . 73.23 109.769 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -146.05 141.83 28.0 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.65 -0.87 . . . . 74.53 108.65 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -110.5 134.32 52.47 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 120.634 0.254 . . . . 55.35 111.04 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -95.8 121.73 37.84 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.97 -0.559 . . . . 71.2 109.723 175.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.4 mp -121.91 147.24 46.26 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.642 -0.503 . . . . 53.4 109.642 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 56.6 m -114.24 121.37 43.51 Favored 'General case' 0 N--CA 1.407 -2.578 0 N-CA-C 108.91 -0.774 . . . . 75.4 108.91 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.89 129.81 53.17 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.095 -0.706 . . . . 63.54 109.095 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -111.93 123.41 50.2 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.149 -1.056 . . . . 75.52 108.149 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 676' ' ' ILE . 79.2 t -122.24 116.97 29.54 Favored Pre-proline 0 C--N 1.279 -2.477 0 CA-C-N 115.257 -0.883 . . . . 75.4 110.109 -171.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 58.4 Cg_endo -77.38 142.4 21.1 Favored 'Trans proline' 0 N--CA 1.428 -2.346 0 C-N-CA 121.141 1.227 . . . . 75.42 109.632 174.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -78.38 78.5 4.85 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.472 0.653 . . . . 74.11 109.42 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.54 -92.92 0.12 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.962 -1.017 . . . . 75.53 110.858 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.6 93.05 4.21 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 107.534 -1.284 . . . . 73.13 107.534 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.27 41.24 0.32 Allowed 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 105.613 -1.995 . . . . 75.11 105.613 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.87 -28.76 33.77 Favored Glycine 0 C--N 1.29 -2.023 0 CA-C-N 113.46 -1.7 . . . . 55.4 111.274 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 46.3 p -71.69 -33.0 68.44 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.982 0.896 . . . . 71.14 110.268 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.405 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -150.62 119.94 6.85 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.779 -1.563 . . . . 60.03 106.779 175.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -44.4 -49.35 8.4 Favored Glycine 0 N--CA 1.478 1.497 0 O-C-N 124.653 1.221 . . . . 60.14 113.624 -173.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.596 HD13 ' HE3' ' A' ' 666' ' ' MET . 9.8 mp -122.8 -32.6 3.51 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.623 . . . . 65.14 109.824 171.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.405 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 92.62 41.21 4.81 Favored Glycine 0 N--CA 1.4 -3.723 0 CA-C-N 114.569 -1.196 . . . . 71.35 111.412 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.8 t -127.73 151.54 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 N-CA-C 106.772 -1.566 . . . . 64.53 106.772 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.2 m -116.73 133.52 55.91 Favored 'General case' 0 N--CA 1.406 -2.634 0 N-CA-C 107.719 -1.215 . . . . 71.2 107.719 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.502 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.3 m -125.88 161.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.653 0 CA-C-N 115.841 -0.618 . . . . 60.11 112.037 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -150.88 154.3 36.95 Favored 'General case' 0 C--N 1.278 -2.523 0 CA-C-N 115.119 -0.946 . . . . 62.43 108.868 174.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -103.87 129.66 9.95 Favored Glycine 0 C--N 1.292 -1.89 0 C-N-CA 118.583 -1.77 . . . . 52.13 111.634 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -95.6 141.69 28.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 71.11 108.894 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.501 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 59.2 ttp180 -134.12 134.91 42.78 Favored 'General case' 0 N--CA 1.417 -2.075 0 N-CA-C 107.823 -1.177 . . . . 72.44 107.823 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 613' ' ' ASN . 21.8 m -68.31 127.34 32.58 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.464 -0.939 . . . . 65.45 108.464 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 611' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' B' ' 775' ' ' GLY . 60.9 tttp -66.31 -69.45 0.3 Allowed 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.44 0.533 . . . . 71.14 112.44 -175.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.33 -17.68 56.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.022 0.439 . . . . 63.22 112.142 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.504 ' HB3' ' CB ' ' A' ' 610' ' ' SER . 47.9 t30 -84.63 -26.85 27.57 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.645 -0.502 . . . . 63.35 109.645 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.88 9.89 6.45 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.144 1.165 . . . . 73.25 114.144 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -102.43 148.82 25.03 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.473 -0.936 . . . . 62.12 108.473 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.4 p-10 -84.71 151.07 24.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.844 -0.428 . . . . 73.51 109.844 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 89.3 mt -99.56 -11.1 21.3 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.679 -0.86 . . . . 70.44 108.679 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 106.69 -165.2 13.38 Favored Glycine 0 C--N 1.308 -0.998 0 CA-C-N 115.087 -0.961 . . . . 74.3 112.676 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.427 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 47.9 mm -103.21 126.86 57.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 109.199 -0.667 . . . . 71.51 109.199 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -128.3 153.71 46.7 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.031 0.443 . . . . 74.4 110.616 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 605' ' ' VAL . 58.3 t -68.77 138.27 22.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 115.569 -0.741 . . . . 55.21 110.01 174.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -107.79 -45.58 3.98 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.823 -0.626 . . . . 74.54 110.288 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 43.0 p -149.07 144.92 26.98 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.249 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -99.41 129.64 49.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.004 -0.739 . . . . 70.41 109.004 176.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 74.7 mt -87.35 125.79 41.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 108.557 -0.905 . . . . 42.4 108.557 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.24 82.02 8.18 Favored 'General case' 0 C--N 1.292 -1.891 0 C-N-CA 120.341 -0.544 . . . . 62.43 109.614 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 167.08 33.32 0.02 OUTLIER Glycine 0 C--N 1.315 -0.607 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.509 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -137.53 156.21 23.44 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.847 -0.901 . . . . 72.21 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.37 95.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.941 0.37 . . . . 73.23 111.765 -176.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 601' ' ' LEU . . . -65.48 -36.27 83.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.508 0.671 . . . . 53.01 109.892 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 42.0 t -64.68 -48.32 75.18 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 114.058 -1.428 . . . . 54.12 110.173 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -74.38 -51.07 16.12 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.898 0.703 . . . . 72.34 112.898 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.84 -48.85 15.5 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 119.721 -0.792 . . . . 72.22 112.084 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -76.35 -42.84 21.96 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.837 -0.697 . . . . 51.41 113.74 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 60.32 82.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.326 0.584 . . . . 55.5 111.161 -176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.4 166.65 20.23 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.972 -0.558 . . . . 75.12 110.711 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.7 mpt_? -107.88 167.27 10.1 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.733 -1.21 . . . . 64.34 107.733 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.13 139.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 N-CA-C 107.911 -1.144 . . . . 72.23 107.911 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 66.71 26.21 9.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.491 1.116 . . . . 72.25 109.637 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.33 142.1 32.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.541 -1.209 . . . . 72.24 108.035 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -88.32 117.32 27.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.029 0.532 . . . . 73.44 111.77 -172.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.502 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.3 mp -81.29 131.41 35.29 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.574 -0.528 . . . . 65.12 109.574 176.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 651' ' ' LEU . 42.9 mm -113.51 -57.01 4.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 CA-C-O 121.513 0.673 . . . . 72.53 111.584 -173.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 679' ' ' ILE . . . -140.95 150.28 42.92 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.622 -0.717 . . . . 71.55 109.559 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.407 HG12 HD22 ' A' ' 650' ' ' LEU . 11.5 p -140.14 137.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 121.096 0.474 . . . . 63.21 111.937 -177.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.53 14.67 6.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.941 1.696 . . . . 54.4 111.189 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.2 -5.7 52.87 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.692 -0.766 . . . . 71.31 112.022 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -108.0 132.54 53.42 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.097 0.475 . . . . 61.32 110.531 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -90.28 138.77 31.26 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.339 -0.392 . . . . 55.14 110.008 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.4 pt? -129.25 10.44 5.79 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.196 0.522 . . . . 74.53 110.681 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.458 HD22 HG23 ' A' ' 643' ' ' ILE . 54.5 tp -73.64 93.1 2.02 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-N 115.435 -0.802 . . . . 70.15 109.687 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.32 -25.86 0.68 Allowed Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.496 -0.859 . . . . 64.32 112.312 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -84.66 167.28 16.34 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.661 -0.415 . . . . 74.54 110.123 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -67.94 164.47 19.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.852 -0.158 . . . . 62.13 110.757 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.665 ' O ' ' HG3' ' A' ' 659' ' ' MET . 94.6 m-20 -59.28 -49.02 79.44 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.006 0.743 . . . . 64.5 113.006 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -34.85 78.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.23 0.538 . . . . 74.33 110.483 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 24.0 mm-40 -66.35 -48.38 70.38 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.155 -0.929 . . . . 73.2 108.616 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.24 94.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.72 -1.127 . . . . 73.51 111.255 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 80.7 mtp -64.63 -38.04 89.63 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.65 -0.25 . . . . 73.24 110.973 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.07 -44.61 75.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 N-CA-C 108.946 -0.761 . . . . 74.12 108.946 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.7 m -58.26 -41.7 84.86 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.387 0.613 . . . . 74.25 109.956 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 666' ' ' MET . 43.6 tp -66.6 -56.79 9.11 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.856 -1.066 . . . . 73.45 112.674 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 659' ' ' MET . 15.4 ptm180 -63.99 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.048 0.451 . . . . 71.41 111.151 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -65.35 -50.88 63.92 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 115.792 -0.64 . . . . 75.23 111.255 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 35.8 p -75.59 -36.35 60.36 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.832 -0.747 . . . . 61.23 111.704 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.596 ' HE3' HD13 ' A' ' 601' ' ' LEU . 3.4 ppp? -70.59 -26.87 63.72 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.214 -0.594 . . . . 64.14 111.584 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 40.3 t -93.03 -55.99 3.14 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 116.422 -0.354 . . . . 72.12 110.768 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 96.7 m -66.42 -43.72 84.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.534 0.568 . . . . 70.13 112.534 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -100.34 -5.42 27.38 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.617 -0.433 . . . . 63.11 110.991 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.75 -68.33 1.7 Allowed Glycine 0 C--O 1.251 1.184 0 N-CA-C 109.522 -1.431 . . . . 72.1 109.522 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -81.73 70.19 8.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.712 1.244 . . . . 54.43 109.794 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -164.1 -39.29 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.609 -1.632 . . . . 64.24 108.481 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' ARG . . . . . 0.565 ' NE ' ' HA ' ' A' ' 673' ' ' ARG . 3.9 mmp_? -98.21 -9.97 24.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.709 -0.678 . . . . 63.34 111.068 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 84.73 -38.18 2.94 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.047 -0.597 . . . . 44.31 111.705 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.423 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.6 ptm -133.83 141.76 47.57 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 109.544 -0.539 . . . . 73.51 109.544 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.562 HD13 HD11 ' A' ' 601' ' ' LEU . 9.5 tt -111.34 138.34 40.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 115.145 -0.934 . . . . 54.11 110.459 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -103.85 138.12 40.88 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.622 -0.717 . . . . 71.03 110.658 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 601' ' ' LEU . 1.6 mm? -129.32 131.99 47.03 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.423 -0.584 . . . . 74.44 109.423 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 644' ' ' ALA . 90.7 mt -119.45 116.73 51.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 108.893 -0.78 . . . . 64.2 108.893 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.8 158.9 37.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 114.639 -1.164 . . . . 64.14 109.883 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.24 124.49 48.0 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.055 -0.72 . . . . 63.01 109.055 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.45 ' O ' ' HD2' ' A' ' 682' ' ' ARG . 2.7 ppt_? -109.84 121.7 45.84 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 109.073 -0.714 . . . . 71.25 109.073 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -85.31 140.97 30.39 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.409 -0.814 . . . . 75.14 111.816 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.2 mm -82.8 104.01 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.651 0 N-CA-C 105.793 -1.929 . . . . 63.51 105.793 174.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 43.4 t -151.18 108.61 3.62 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 121.482 0.658 . . . . 75.14 111.034 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -104.12 -5.12 22.34 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.495 -1.298 . . . . 74.22 107.495 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.08 -15.5 55.8 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.556 -1.202 . . . . 44.51 109.444 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -165.27 94.3 0.63 Allowed 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 106.552 -1.647 . . . . 71.21 106.552 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 115.749 -0.66 . . . . 55.25 110.103 -177.105 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.241 0.629 0 CA-C-O 121.676 0.75 . . . . 74.24 110.348 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 2.4 pp -138.61 152.69 48.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.468 -0.787 . . . . 73.41 111.395 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.16 81.78 2.01 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.35 0.595 . . . . 75.01 109.766 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -95.23 103.55 15.41 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.45 -0.796 . . . . 75.13 109.878 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 96.1 mt -147.38 129.0 15.09 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.09 -0.959 . . . . 65.1 109.499 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -144.51 88.73 1.95 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 122.103 0.954 . . . . 75.24 108.494 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 775' ' ' GLY . . . . . 0.491 ' O ' ' HD2' ' A' ' 611' ' ' LYS . . . 153.82 -108.32 0.36 Allowed Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.123 -1.991 . . . . 32.42 108.123 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 13.9 m 62.59 103.02 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 113.647 0.98 . . . . 64.14 113.647 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 777' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' B' ' 779' ' ' GLN . 5.1 p-10 -79.11 175.95 4.22 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 106.214 -1.772 . . . . 75.42 106.214 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.67 -24.65 38.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.785 1.657 . . . . 60.04 112.575 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 779' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 777' ' ' ASP . 48.7 mt-30 61.35 19.87 10.58 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 124.303 1.041 . . . . 54.14 111.128 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -83.27 105.95 14.65 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-N 114.619 -1.173 . . . . 61.54 108.948 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -105.85 140.98 38.04 Favored 'General case' 0 C--N 1.263 -3.155 0 CA-C-N 113.748 -1.569 . . . . 72.12 109.939 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.486 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.3 tm? -138.83 130.63 27.74 Favored 'General case' 0 N--CA 1.405 -2.719 0 N-CA-C 108.135 -1.061 . . . . 64.12 108.135 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -101.2 132.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 N-CA-C 109.292 -0.633 . . . . 71.42 109.292 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' B' ' 782' ' ' LEU . 25.0 pt . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 118.555 -0.736 . . . . 54.1 109.041 176.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.287 0 N-CA-C 110.369 -1.092 . . . . 45.02 110.369 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 42.9 m 54.65 32.77 17.87 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.513 0.673 . . . . 73.41 109.852 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.09 -33.63 71.05 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 114.687 -1.142 . . . . 64.13 111.219 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -177.44 -175.8 44.98 Favored Glycine 0 N--CA 1.416 -2.685 0 C-N-CA 120.358 -0.925 . . . . 32.25 112.051 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 20.8 m -101.77 21.3 14.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.723 -1.214 . . . . 73.21 107.723 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -126.62 152.33 46.81 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.456 -0.793 . . . . 72.01 109.982 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 11.1 pt-20 -126.13 163.28 23.46 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.56 -0.904 . . . . 74.53 108.56 175.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -105.01 136.99 43.45 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -127.36 142.29 51.47 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.766 -0.828 . . . . 64.54 108.766 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 91.4 m -110.05 122.64 48.07 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.989 -0.55 . . . . 54.42 109.845 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.79 142.08 50.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.401 -0.592 . . . . 74.41 109.401 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -122.25 132.19 54.3 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.308 0.575 . . . . 72.12 109.891 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.438 ' HB ' HG23 ' A' ' 676' ' ' ILE . 71.5 t -121.15 117.57 30.59 Favored Pre-proline 0 C--N 1.285 -2.219 0 CA-C-N 115.175 -0.921 . . . . 64.5 109.205 -173.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.44 147.87 23.04 Favored 'Trans proline' 0 N--CA 1.434 -1.984 0 C-N-CA 121.278 1.319 . . . . 75.11 111.177 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' LEU . . . . . 0.414 ' HA ' ' OG ' ' A' ' 596' ' ' SER . 3.7 mm? -74.87 77.54 2.13 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.777 0.799 . . . . 72.44 110.124 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -108.68 -74.71 0.65 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.362 -1.29 . . . . 55.44 110.653 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.88 29.81 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.231 1.015 . . . . 73.13 110.75 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 593' ' ' LEU . 22.6 m -74.73 -5.01 40.86 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.252 -1.34 . . . . 73.51 112.387 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.27 -20.71 60.04 Favored Glycine 0 N--CA 1.419 -2.474 0 C-N-CA 120.063 -1.065 . . . . 74.33 110.505 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 50.8 m -76.12 -25.42 55.37 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.242 0.544 . . . . 63.4 110.257 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -165.97 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.909 -1.041 . . . . 63.24 109.638 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 171.55 -67.78 0.13 Allowed Glycine 0 C--N 1.293 -1.819 0 N-CA-C 107.737 -2.145 . . . . 74.5 107.737 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 630' ' ' ALA . 7.7 mp -109.37 -37.5 5.73 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.075 -1.083 . . . . 72.11 108.075 171.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 92.77 46.24 3.46 Favored Glycine 0 N--CA 1.405 -3.415 0 CA-C-N 114.365 -1.289 . . . . 44.05 110.136 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.7 t -133.95 152.5 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 106.735 -1.58 . . . . 74.32 106.735 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.73 ' HB3' ' HE3' ' A' ' 622' ' ' LYS . 18.8 m -121.03 130.64 53.87 Favored 'General case' 0 N--CA 1.397 -3.11 0 N-CA-C 108.148 -1.056 . . . . 74.41 108.148 173.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 621' ' ' VAL . 4.5 m -123.43 156.96 29.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 115.781 -0.645 . . . . 63.22 110.935 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -149.74 153.83 37.52 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.896 -0.779 . . . . 65.42 108.896 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.29 156.58 17.26 Favored Glycine 0 N--CA 1.421 -2.335 0 C-N-CA 119.386 -1.388 . . . . 52.33 111.502 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -123.13 147.13 47.13 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.57 -0.53 . . . . 54.1 109.57 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 2.2 tmm_? -127.21 125.71 41.52 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.093 -1.077 . . . . 73.31 108.093 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' SER . . . . . 0.541 ' OG ' ' HB3' ' A' ' 613' ' ' ASN . 64.4 p -77.23 130.92 37.89 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.176 0.436 . . . . 74.54 112.176 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -79.34 -37.34 37.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.254 0.549 . . . . 71.42 111.845 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 612' ' ' GLU . 0.0 OUTLIER -97.36 -32.72 11.73 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.214 -0.448 . . . . 60.31 110.958 -175.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 613' ' ' ASN . . . . . 0.541 ' HB3' ' OG ' ' A' ' 610' ' ' SER . 27.9 t-20 -76.92 -24.0 52.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.041 0.448 . . . . 54.33 109.861 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 44.7 m80 69.35 22.73 6.44 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.469 1.108 . . . . 75.44 112.915 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.2 171.36 14.12 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.962 -0.755 . . . . 73.31 108.962 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.9 p-10 -91.36 144.96 25.05 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.896 -1.122 . . . . 50.53 108.582 174.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -88.82 -2.68 58.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.418 0.628 . . . . 62.33 110.163 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.54 -161.16 18.88 Favored Glycine 0 C--N 1.294 -1.783 0 CA-C-N 115.287 -0.869 . . . . 35.24 111.633 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.67 130.62 66.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.485 -0.932 . . . . 51.44 108.485 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -125.96 149.13 49.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.657 0.265 . . . . 62.51 111.198 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.528 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.7 t -68.48 132.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.059 -0.719 . . . . 73.4 109.059 171.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.73 ' HE3' ' HB3' ' A' ' 604' ' ' SER . 14.0 pttp -109.35 -38.56 5.45 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 108.985 -0.746 . . . . 72.43 108.985 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 30.2 p -149.74 143.92 25.73 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.724 -0.671 . . . . 71.31 110.461 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.5 139.76 21.88 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 N-CA-C 108.658 -0.867 . . . . 63.23 108.658 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 84.2 mt -95.64 113.25 29.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 108.653 -0.869 . . . . 73.21 108.653 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -63.62 118.41 8.19 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.439 -0.8 . . . . 73.52 111.533 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.07 -13.93 23.86 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.49 -0.777 . . . . 31.45 111.303 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -66.32 152.66 52.19 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 121.219 -0.515 . . . . 64.31 112.311 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.18 76.51 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.765 0.317 . . . . 54.43 110.912 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.91 -26.6 63.29 Favored 'General case' 0 CA--C 1.491 -1.299 0 CA-C-O 121.334 0.588 . . . . 74.34 110.198 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 48.1 t -74.13 -52.27 13.07 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 114.847 -1.07 . . . . 75.45 109.184 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.15 -51.32 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.002 0.741 . . . . 71.43 113.002 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.04 -51.03 9.54 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.029 -0.668 . . . . 52.43 110.486 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -71.53 -42.73 54.86 Favored Glycine 0 CA--C 1.517 0.17 0 CA-C-N 115.261 -0.881 . . . . 41.24 114.22 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 635' ' ' ARG . 1.3 mmp_? 68.87 33.39 3.61 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.955 0.502 . . . . 74.53 111.654 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 170.82 5.11 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.214 0.45 . . . . 72.15 112.214 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -135.25 175.56 9.48 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.359 0.874 . . . . 72.12 113.359 -173.528 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 77.4 t -79.06 149.33 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.62 -0.881 . . . . 74.5 108.62 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.64 11.33 6.43 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.383 1.087 . . . . 75.01 109.103 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' ' 637' ' ' ARG . 13.6 t0 -69.34 121.43 16.89 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.43 -1.259 . . . . 72.34 107.88 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -81.57 111.01 17.48 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 122.957 0.503 . . . . 74.13 111.354 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.476 HD21 HG11 ' A' ' 605' ' ' VAL . 8.0 mp -76.75 122.6 24.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.897 0.38 . . . . 62.01 110.406 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.36 -52.58 6.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.388 -0.824 . . . . 75.1 109.993 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.23 148.13 42.68 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.395 -0.366 . . . . 31.21 110.313 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 678' ' ' LEU . 14.9 p -134.01 126.81 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-O 121.624 0.726 . . . . 60.22 111.385 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 54.06 34.09 19.12 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 126.089 1.756 . . . . 71.31 110.282 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.62 58.4 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.628 -0.796 . . . . 72.22 113.77 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -94.72 144.86 25.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 117.715 0.758 . . . . 72.44 109.598 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 23.1 t -91.31 141.51 28.7 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.566 0.698 . . . . 73.01 111.767 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.67 -167.42 1.29 Allowed 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.142 -1.799 . . . . 35.31 106.142 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 6.2 tt 71.78 -46.23 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.556 0.742 . . . . 73.11 112.284 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -71.05 -7.32 62.32 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 110.961 -0.855 . . . . 52.35 110.961 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -122.47 152.1 40.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 107.097 -1.446 . . . . 73.44 107.097 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.85 166.07 7.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.416 0.525 . . . . 45.44 112.416 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.32 -47.61 47.04 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.81 0.844 . . . . 74.14 112.581 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -60.9 -47.64 85.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.331 -0.849 . . . . 72.04 109.203 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -66.37 -40.79 89.96 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.964 -1.471 . . . . 63.04 110.008 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.18 68.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.981 -1.009 . . . . 54.31 110.957 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.457 ' SD ' HD23 ' B' ' 782' ' ' LEU . 61.9 mtt -61.8 -37.17 83.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 112.279 0.474 . . . . 73.14 112.279 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.15 -47.76 81.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 109.428 -0.582 . . . . 75.01 109.428 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 89.4 m -64.21 -45.18 89.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.474 -0.785 . . . . 62.14 109.358 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.448 ' HA ' HG11 ' A' ' 645' ' ' VAL . 1.1 tm? -55.56 -55.33 33.24 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.437 -1.256 . . . . 74.54 111.459 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.48 ' HD2' HD21 ' B' ' 782' ' ' LEU . 81.8 mtp180 -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.861 0.362 . . . . 64.52 110.822 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -61.91 -51.59 67.53 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 115.412 -0.813 . . . . 63.43 110.247 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 59.7 m -78.22 -30.29 48.77 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.643 0.608 . . . . 72.44 112.643 -174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.403 ' HA ' HD12 ' A' ' 676' ' ' ILE . 3.9 ppp? -74.96 -30.24 61.15 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.537 -0.865 . . . . 65.0 110.637 -177.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 16.4 t -92.92 -54.47 3.73 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 116.25 -0.432 . . . . 53.3 110.315 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 75.1 m -67.95 -57.14 6.69 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.963 0.411 . . . . 71.53 111.224 -175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.05 -18.72 38.69 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.023 -0.535 . . . . 74.23 111.153 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.44 19.85 Favored Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 111.354 -0.698 . . . . 74.43 111.354 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.96 -12.54 61.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.094 0.473 . . . . 75.5 111.641 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -82.22 -50.39 9.04 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 116.41 -0.359 . . . . 74.32 110.178 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.45 -10.16 59.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.001 0.741 . . . . 70.05 113.001 -176.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.14 -29.83 5.41 Favored Glycine 0 C--O 1.243 0.713 0 C-N-CA 120.362 -0.923 . . . . 71.33 112.409 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.54 157.18 46.25 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.069 -0.715 . . . . 73.11 109.069 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.438 HG23 ' HB ' ' A' ' 591' ' ' VAL . 10.1 tt -116.98 138.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 115.473 -0.785 . . . . 74.04 110.144 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.23 137.7 42.59 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.914 -0.585 . . . . 61.53 110.085 -177.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.2 mm? -130.41 130.2 44.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.937 -0.477 . . . . 72.22 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -109.07 117.95 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 106.831 -1.544 . . . . 64.11 106.831 170.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.505 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.7 m -123.59 153.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 CA-C-N 115.568 -0.742 . . . . 72.02 109.403 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 681' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.5 138.97 47.34 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.276 -0.42 . . . . 54.23 110.224 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 682' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 684' ' ' ILE . 2.1 ppt_? -118.11 142.78 47.06 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 120.078 -0.649 . . . . 65.01 109.45 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.0 122.78 21.46 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.781 -1.192 . . . . 72.3 107.781 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 684' ' ' ILE . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 682' ' ' ARG . 63.9 mt -73.03 -50.8 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 CA-C-O 121.046 0.45 . . . . 74.44 110.329 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 37.6 m 57.72 26.2 12.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.46 -1.246 . . . . 64.3 111.298 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 68.84 8.06 6.55 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.221 1.008 . . . . 64.13 111.905 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.32 113.77 20.95 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.638 -0.875 . . . . 74.41 108.638 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -84.68 108.22 17.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 120.698 -0.401 . . . . 72.44 111.539 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.723 0.809 . . . . 64.43 109.481 177.82 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 109.2 -0.667 . . . . 72.13 109.2 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . 0.335 1.6 pp -88.46 80.1 7.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.647 1.213 . . . . 73.4 113.809 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -126.92 23.56 6.58 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.522 -1.217 . . . . 50.43 108.631 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.5 177.37 1.56 Allowed 'General case' 0 C--O 1.252 1.223 0 CA-C-N 114.837 -1.074 . . . . 74.11 112.441 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 91.7 mt 66.66 89.89 0.1 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.302 1.441 . . . . 62.35 112.726 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -106.84 -41.33 5.24 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.396 -1.705 . . . . 63.3 106.396 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -85.89 83.67 1.61 Allowed Glycine 0 N--CA 1.429 -1.817 0 N-CA-C 104.869 -3.292 . . . . 75.53 104.869 166.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 22.1 p -68.09 88.08 0.28 Allowed 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 117.529 2.418 . . . . 62.12 117.529 -167.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -96.1 112.08 58.44 Favored Pre-proline 0 N--CA 1.429 -1.476 0 N-CA-C 105.095 -2.187 . . . . 62.52 105.095 163.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.91 35.36 0.34 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.373 2.716 . . . . 71.33 113.838 -172.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 51.13 78.32 0.11 Allowed 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 124.637 1.175 . . . . 62.35 111.583 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -115.79 90.96 3.46 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 107.569 -1.271 . . . . 53.15 107.569 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 56.6 mt-10 -109.98 136.36 49.37 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.233 -1.349 . . . . 64.2 109.853 -176.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.48 HD21 ' HD2' ' A' ' 663' ' ' ARG . 0.1 OUTLIER -126.86 129.44 48.25 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 107.342 -1.355 . . . . 75.15 107.342 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.81 127.5 57.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 C-N-CA 120.444 -0.502 . . . . 63.34 109.683 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 662' ' ' LEU . 28.0 pt . . . . . 0 N--CA 1.411 -2.412 0 CA-C-N 115.488 -0.778 . . . . 64.31 110.228 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.962 0 N-CA-C 110.528 -1.029 . . . . 41.22 110.528 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 36.2 t -128.72 126.14 39.42 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-O 121.404 0.621 . . . . 64.1 110.69 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.1 1.84 28.81 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.51 -1.292 . . . . 43.11 107.51 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 117.48 70.37 0.4 Allowed Glycine 0 N--CA 1.428 -1.881 0 N-CA-C 108.873 -1.691 . . . . 53.43 108.873 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 26.6 m -58.76 -40.34 83.6 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.082 0.953 . . . . 73.1 111.932 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 683' ' ' ARG . 36.0 ptt180 -137.19 148.28 46.44 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.089 -0.505 . . . . 73.04 109.768 178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -109.86 146.62 34.79 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.646 -0.502 . . . . 74.25 109.646 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' PHE . . . . . 0.421 ' CE2' HG21 ' A' ' 643' ' ' ILE . 9.6 m-30 -91.84 127.89 37.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.614 -0.721 . . . . 71.22 110.656 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 98.0 mt -104.6 131.68 51.73 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.759 -0.83 . . . . 64.4 108.759 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 41.7 m -105.86 121.59 44.37 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 115.528 -0.76 . . . . 75.1 109.473 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' PHE . . . . . 0.421 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 58.7 m-85 -120.91 129.54 53.52 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.989 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -112.12 117.89 33.87 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.89 -0.782 . . . . 71.44 108.89 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 676' ' ' ILE . 78.7 t -113.29 117.47 45.36 Favored Pre-proline 0 C--N 1.284 -2.247 0 CA-C-N 115.58 -0.736 . . . . 70.44 109.74 -176.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 71.4 Cg_endo -73.79 148.33 41.05 Favored 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 121.501 1.467 . . . . 74.24 111.303 178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.95 76.87 2.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.641 0.734 . . . . 72.32 110.395 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -102.82 -75.1 0.61 Allowed 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.93 -1.032 . . . . 70.0 111.132 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.36 20.0 2.56 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.519 0.728 . . . . 73.03 109.25 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 16.1 m -71.6 1.45 6.61 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 124.976 1.311 . . . . 71.32 114.216 -171.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.75 -28.99 33.36 Favored Glycine 0 N--CA 1.425 -2.088 0 C-N-CA 119.399 -1.381 . . . . 62.13 110.489 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.8 m -87.29 -47.04 9.15 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.895 0.855 . . . . 75.05 109.784 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -151.3 141.06 21.84 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 104.388 -2.449 . . . . 55.13 104.388 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.84 -57.54 18.29 Favored Glycine 0 C--N 1.288 -2.131 0 O-C-N 123.939 0.775 . . . . 64.31 112.307 -171.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 676' ' ' ILE . 6.4 mp -109.43 -36.51 5.97 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 107.841 -1.17 . . . . 70.02 107.841 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 88.64 50.73 3.26 Favored Glycine 1 N--CA 1.38 -5.077 0 N-CA-C 108.991 -1.644 . . . . 73.11 108.991 -177.279 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.03 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.745 0 N-CA-C 106.696 -1.594 . . . . 64.3 106.696 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 622' ' ' LYS . 39.4 m -115.27 124.61 51.77 Favored 'General case' 0 N--CA 1.38 -3.974 0 N-CA-C 107.358 -1.349 . . . . 63.23 107.358 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 605' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 621' ' ' VAL . 5.1 m -121.99 165.15 18.11 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 CA-C-N 116.092 -0.504 . . . . 64.44 109.935 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.534 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 3.5 ptpt -149.5 151.29 33.68 Favored 'General case' 0 C--N 1.268 -2.973 0 CA-C-N 115.359 -0.837 . . . . 75.25 108.889 177.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -110.44 111.04 2.96 Favored Glycine 0 N--CA 1.399 -3.774 0 N-CA-C 109.558 -1.417 . . . . 54.4 109.558 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.15 135.39 35.58 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 119.747 -0.781 . . . . 54.44 109.415 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -113.23 146.21 39.7 Favored 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 108.407 -0.96 . . . . 74.53 108.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.6 m -61.9 110.33 1.52 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 107.122 -1.436 . . . . 62.24 107.122 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -58.12 -32.95 68.62 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 124.425 1.09 . . . . 73.43 112.679 -170.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -101.58 -45.12 5.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.78 0.324 . . . . 72.1 111.272 -178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -69.81 -25.47 63.78 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.859 0.361 . . . . 63.43 111.469 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 37.6 m80 70.68 12.17 7.26 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.093 0.957 . . . . 71.11 113.247 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -95.67 149.17 21.76 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.885 -1.524 . . . . 65.21 106.885 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.57 155.62 23.18 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 120.005 -0.678 . . . . 64.02 110.855 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.48 -15.75 18.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.982 -1.118 . . . . 73.25 107.982 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 118.87 -149.82 18.12 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 114.715 -1.129 . . . . 75.13 112.066 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.446 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.6 mm -128.1 126.26 65.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.441 -1.688 . . . . 65.34 106.441 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' PHE . . . . . 0.536 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 60.9 m-85 -128.87 147.19 50.8 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.836 0.35 . . . . 72.44 111.157 -173.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.47 ' HA ' HG12 ' A' ' 605' ' ' VAL . 81.9 t -70.2 130.81 34.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 108.396 -0.965 . . . . 64.1 108.396 171.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -110.63 -31.1 7.34 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 117.83 -1.548 . . . . 74.53 110.714 176.658 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 23.4 p -149.46 137.99 20.87 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.524 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 624' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.9 mp -95.17 138.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 108.394 -0.965 . . . . 72.02 108.394 176.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 82.5 mt -88.71 110.77 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 N-CA-C 106.423 -1.695 . . . . 75.04 106.423 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -81.03 108.93 15.12 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 121.576 0.703 . . . . 75.14 111.285 -174.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.58 -27.44 2.48 Favored Glycine 0 N--CA 1.422 -2.249 0 CA-C-N 114.372 -1.286 . . . . 64.32 110.174 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -72.09 169.3 51.24 Favored Glycine 0 C--O 1.244 0.741 0 C-N-CA 121.379 -0.439 . . . . 43.2 112.575 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.97 74.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 111.895 0.332 . . . . 73.55 111.895 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -72.52 -26.65 61.84 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-O 121.532 0.682 . . . . 72.15 109.815 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.3 t -74.69 -52.02 12.73 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.614 -1.175 . . . . 70.3 109.416 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.54 -51.46 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 112.351 0.5 . . . . 71.4 112.351 -177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.61 -51.54 9.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.453 0.538 . . . . 75.04 112.453 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.25 -43.24 7.57 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.349 -0.929 . . . . 72.11 115.0 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.83 49.48 7.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.847 -1.538 . . . . 74.22 106.847 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 6.4 mp -67.24 154.53 41.07 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 115.908 -0.587 . . . . 73.24 110.63 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' ARG . . . . . 0.484 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 18.2 ptt180 -96.51 164.34 12.66 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 115.322 -0.854 . . . . 71.23 111.384 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.36 149.84 5.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 114.831 -1.077 . . . . 75.31 108.156 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 74.5 11.09 4.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.456 1.102 . . . . 55.31 111.845 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' ASP . . . . . 0.732 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 6.4 t70 -82.36 143.1 31.48 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 118.778 -1.169 . . . . 74.3 109.151 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -89.82 119.21 30.0 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.894 0.878 . . . . 73.54 111.583 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' LEU . . . . . 0.419 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -78.6 109.95 13.27 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.486 0.66 . . . . 73.4 110.843 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.421 HG21 ' CE2' ' A' ' 586' ' ' PHE . 43.7 mm -89.41 -53.66 8.97 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 CA-C-N 115.288 -0.869 . . . . 75.35 110.997 -175.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.497 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.96 153.6 46.95 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.206 -0.907 . . . . 73.31 110.63 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' ' 646' ' ' ASN . 13.1 p -138.31 131.52 40.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 116.091 -0.504 . . . . 73.41 110.022 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 645' ' ' VAL . 18.5 m120 60.7 23.44 13.3 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.445 1.098 . . . . 73.32 110.859 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.26 -19.31 53.2 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 115.512 -0.767 . . . . 75.54 113.107 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -86.17 132.71 33.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 117.293 0.546 . . . . 72.45 109.986 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.5 m -90.66 142.59 27.59 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 120.775 0.321 . . . . 72.35 110.973 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 650' ' ' LEU . 1.1 pt? -132.64 7.75 4.14 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 116.367 -0.379 . . . . 74.13 111.489 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.415 HD22 HD12 ' A' ' 643' ' ' ILE . 57.3 tp -68.4 99.13 0.91 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.117 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 148.29 -21.34 1.38 Allowed Glycine 0 C--N 1.307 -1.071 0 C-N-CA 120.584 -0.817 . . . . 61.14 112.306 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.17 159.85 15.46 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.343 -0.614 . . . . 61.33 109.343 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.5 168.25 2.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.013 0.525 . . . . 55.3 112.235 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.7 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.6 m120 -56.28 -49.63 73.69 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 123.428 0.455 . . . . 62.2 111.093 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -64.97 -48.58 73.49 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.952 -0.758 . . . . 73.02 108.952 -174.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.42 -47.78 72.4 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.959 -1.473 . . . . 74.23 110.067 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.67 97.93 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.475 -0.784 . . . . 75.4 111.063 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.7 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 76.9 mtp -63.93 -37.76 88.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.548 -0.296 . . . . 74.2 110.715 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -68.87 -41.9 77.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.301 -0.56 . . . . 75.11 110.763 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 90.1 m -58.71 -43.52 90.14 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.552 0.691 . . . . 73.21 109.519 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.57 -56.37 16.46 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.916 -1.038 . . . . 74.14 112.775 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 659' ' ' MET . 14.9 ptm180 -62.91 -30.89 71.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.197 0.443 . . . . 73.33 112.197 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -76.77 -45.29 29.57 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 112.217 0.451 . . . . 71.14 112.217 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 23.4 m -66.6 -39.79 88.57 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.137 -0.625 . . . . 52.32 109.995 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 676' ' ' ILE . 4.0 ppp? -68.9 -23.01 64.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.915 -0.584 . . . . 72.43 111.315 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 38.8 t -92.05 -56.13 3.19 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 115.904 -0.589 . . . . 71.32 109.759 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 39.2 m -69.94 -51.31 33.84 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.666 -0.697 . . . . 75.21 112.013 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.85 -19.18 26.24 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 120.927 0.394 . . . . 72.41 111.016 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -64.87 -60.73 6.55 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 111.116 -0.794 . . . . 65.15 111.116 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -84.13 76.67 10.06 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.411 0.624 . . . . 62.53 110.745 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 -31.1 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.747 1.619 . . . . 65.12 109.012 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -81.42 -27.6 34.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.355 -0.839 . . . . 74.31 110.42 171.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 100.12 -37.96 3.33 Favored Glycine 0 CA--C 1.5 -0.881 0 N-CA-C 110.275 -1.13 . . . . 73.43 110.275 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' MET . . . . . 0.412 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.2 ptp -136.38 157.71 46.15 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.348 -0.982 . . . . 75.13 108.348 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 676' ' ' ILE . . . . . 0.567 HD13 HD11 ' A' ' 601' ' ' LEU . 8.3 tt -110.7 132.38 59.29 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 121.393 0.616 . . . . 63.13 110.13 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -102.01 124.72 48.11 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 115.423 -0.808 . . . . 72.44 110.567 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.5 mm? -115.1 128.07 56.0 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.638 -0.875 . . . . 74.42 108.638 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 679' ' ' ILE . . . . . 0.497 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -107.98 116.93 52.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 106.71 -1.589 . . . . 64.24 106.71 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 680' ' ' VAL . . . . . 0.732 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 27.6 m -121.99 173.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.324 0 N-CA-C 108.983 -0.747 . . . . 74.35 108.983 -177.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.72 127.59 23.7 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.556 0.693 . . . . 74.32 112.426 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.8 133.0 55.33 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.16 -0.681 . . . . 73.13 109.16 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 683' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 685' ' ' SER . 17.3 ptp180 -82.23 146.1 29.68 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 112.43 0.53 . . . . 73.44 112.43 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.66 -28.44 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 121.807 0.813 . . . . 72.4 111.137 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' A' ' 683' ' ' ARG . 29.9 m -86.61 114.23 23.16 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 108.226 -1.027 . . . . 74.25 108.226 175.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.98 151.79 21.51 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.347 -0.541 . . . . 71.32 110.613 -175.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.73 92.59 3.35 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.681 -1.6 . . . . 74.24 106.681 170.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -74.19 139.91 44.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.742 -0.663 . . . . 75.11 112.391 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.301 -1.539 0 CA-C-N 115.047 -0.979 . . . . 73.01 109.351 -178.111 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.323 0.582 . . . . 74.33 109.889 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.1 97.91 6.33 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.748 -0.66 . . . . 71.03 110.408 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.4 95.68 3.82 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.31 0.576 . . . . 61.45 110.844 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.9 168.95 8.88 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.043 -1.095 . . . . 73.05 108.043 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 91.4 mt -105.94 159.32 16.13 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.208 -0.664 . . . . 61.31 109.208 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.73 95.14 5.45 Favored 'General case' 0 N--CA 1.414 -2.251 0 N-CA-C 104.366 -2.457 . . . . 74.15 104.366 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 114.35 58.46 0.38 Allowed Glycine 1 N--CA 1.384 -4.779 0 N-CA-C 109.136 -1.586 . . . . 52.21 109.136 -171.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 42.8 m -84.13 88.04 7.18 Favored 'General case' 0 N--CA 1.42 -1.96 0 CA-C-O 121.736 0.779 . . . . 74.24 110.656 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -101.26 122.88 46.76 Favored Pre-proline 0 C--N 1.297 -1.705 0 N-CA-C 107.256 -1.387 . . . . 64.42 107.256 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -61.24 -55.2 1.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.199 1.933 . . . . 61.11 113.376 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -135.98 89.35 2.48 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 115.603 -0.726 . . . . 72.02 112.292 -175.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 780' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.7 mt-10 -97.35 -8.76 28.86 Favored 'General case' 0 C--O 1.188 -2.167 0 N-CA-C 107.725 -1.213 . . . . 73.1 107.725 168.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 781' ' ' GLU . . . . . 0.534 ' OE2' ' HE2' ' A' ' 606' ' ' LYS . 4.1 mp0 -104.05 143.23 33.18 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.428 0.632 . . . . 62.14 112.126 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 782' ' ' LEU . . . . . 0.503 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.3 tm? -142.54 137.13 29.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 106.738 -1.579 . . . . 70.35 106.738 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 783' ' ' ILE . . . . . 0.431 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.3 mp -111.2 132.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.733 -0.84 . . . . 72.31 108.733 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 784' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' B' ' 782' ' ' LEU . 16.1 pt . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 117.727 -1.13 . . . . 73.54 111.27 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 . . . . . 0 N--CA 1.439 -0.979 0 N-CA-C 109.113 -0.699 . . . . 65.25 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -102.33 122.77 44.91 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.928 -0.397 . . . . 63.34 109.928 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.51 HD12 HH22 ' A' ' 637' ' ' ARG . 92.0 mt -112.16 137.12 50.69 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 108.828 -0.804 . . . . 63.44 108.828 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.4 m -112.29 121.88 46.14 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 115.527 -0.76 . . . . 73.14 109.804 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 636' ' ' LEU . 39.3 m-85 -109.37 138.16 46.13 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.357 -0.608 . . . . 73.21 109.357 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.88 118.87 33.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.877 -0.786 . . . . 71.33 108.877 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.512 ' HB ' HG23 ' A' ' 676' ' ' ILE . 96.8 t -116.63 116.72 38.58 Favored Pre-proline 0 C--N 1.277 -2.58 0 CA-C-N 115.195 -0.911 . . . . 74.41 109.123 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.8 145.2 22.55 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.153 1.236 . . . . 51.12 110.364 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.34 69.44 6.79 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.155 0.979 . . . . 73.2 110.217 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -106.47 -68.13 0.9 Allowed 'General case' 0 CA--C 1.485 -1.557 0 CA-C-N 113.929 -1.487 . . . . 74.33 108.105 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.27 71.99 10.78 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 106.282 -1.747 . . . . 74.22 106.282 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 28.0 t -135.19 129.6 34.01 Favored 'General case' 1 N--CA 1.379 -4.012 0 CA-C-N 112.996 -1.911 . . . . 73.35 106.085 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 133.57 -30.91 2.93 Favored Glycine 1 C--N 1.239 -4.818 0 N-CA-C 107.338 -2.305 . . . . 71.44 107.338 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 13.2 m -63.27 -37.95 89.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.614 -1.624 . . . . 62.54 106.614 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -166.02 -177.2 4.09 Favored 'General case' 0 N--CA 1.404 -2.761 0 N-CA-C 102.194 -3.261 . . . . 54.44 102.194 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -72.84 -60.46 3.92 Favored Glycine 0 C--N 1.284 -2.329 0 N-CA-C 109.147 -1.581 . . . . 63.45 109.147 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.434 HD11 HD13 ' A' ' 676' ' ' ILE . 10.3 mp -118.83 -33.85 4.11 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 123.562 0.745 . . . . 44.3 109.525 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 96.31 41.27 3.74 Favored Glycine 0 N--CA 1.399 -3.785 0 CA-C-N 115.042 -0.981 . . . . 43.13 110.673 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.31 151.2 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 107.313 -1.366 . . . . 62.4 107.313 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.0 m -114.9 130.85 56.98 Favored 'General case' 0 N--CA 1.403 -2.784 0 N-CA-C 107.318 -1.364 . . . . 43.52 107.318 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 642' ' ' LEU . 4.2 m -124.93 159.23 31.85 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 116.082 -0.508 . . . . 43.05 110.894 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 24.2 pttm -149.82 153.1 36.23 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 109.135 -0.691 . . . . 62.54 109.135 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.63 145.38 16.84 Favored Glycine 0 C--N 1.293 -1.826 0 C-N-CA 119.532 -1.318 . . . . 61.12 111.301 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -123.18 154.72 38.33 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.816 -0.809 . . . . 51.42 108.816 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.8 mtt85 -122.21 142.79 50.07 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 109.955 -0.387 . . . . 72.42 109.955 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.422 -1.849 0 N-CA-C 106.688 -1.597 . . . . 64.21 106.688 172.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -1.821 0 N-CA-C 107.836 -1.172 . . . . 54.11 107.836 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.5 p-10 -69.9 149.24 48.04 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.415 0.626 . . . . 70.44 111.928 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -96.15 -8.38 33.36 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.125 -1.065 . . . . 64.3 108.125 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.78 -173.93 25.11 Favored Glycine 0 N--CA 1.429 -1.802 0 CA-C-N 114.605 -1.18 . . . . 73.5 112.029 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.95 131.8 40.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 109.519 -0.549 . . . . 62.33 109.519 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.09 151.8 48.14 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.346 -0.388 . . . . 75.35 110.231 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.489 ' HA ' HG12 ' A' ' 605' ' ' VAL . 48.2 t -71.41 138.41 21.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.253 -0.647 . . . . 72.11 109.253 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.484 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -114.49 -41.32 3.46 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.338 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 42.8 t -148.94 138.4 21.76 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.641 -0.503 . . . . 62.43 109.641 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.58 130.04 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 N-CA-C 108.32 -0.993 . . . . 63.44 108.32 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 80.5 mt -89.76 112.33 24.39 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 N-CA-C 107.336 -1.357 . . . . 54.24 107.336 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -81.32 78.68 8.07 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 122.285 1.04 . . . . 73.23 109.741 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 165.14 48.4 0.02 OUTLIER Glycine 0 N--CA 1.415 -2.704 0 N-CA-C 108.509 -1.837 . . . . 71.24 108.509 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 632' ' ' LYS . . . -159.92 147.99 15.87 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.274 -1.53 . . . . 70.44 109.274 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.73 61.37 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 114.299 1.222 . . . . 74.1 114.299 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -64.61 -30.77 71.79 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 121.301 0.572 . . . . 55.55 111.243 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.2 t -76.77 -48.22 19.33 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.228 -0.896 . . . . 72.33 108.827 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 628' ' ' GLY . 53.5 mtpt -64.21 -52.46 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.511 -0.768 . . . . 72.12 111.044 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -80.77 -52.35 7.62 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 112.463 0.542 . . . . 63.11 112.463 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -74.12 -42.41 36.36 Favored Glycine 0 CA--C 1.507 -0.433 0 CA-C-N 115.64 -0.709 . . . . 70.21 114.678 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 63.25 32.48 14.85 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.908 0.354 . . . . 65.11 111.641 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 589' ' ' PHE 0.309 0.7 OUTLIER -68.86 171.2 8.29 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.227 1.195 . . . . 73.0 114.227 178.506 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.684 ' NH2' ' HB2' ' A' ' 682' ' ' ARG . 8.8 ptt-85 -114.12 172.17 7.16 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 113.348 0.87 . . . . 72.1 113.348 -169.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 79.1 t -83.67 141.5 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.488 -1.233 . . . . 74.32 109.878 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 67.91 24.85 7.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.888 1.675 . . . . 74.4 111.508 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.836 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 12.4 t70 -80.33 154.11 27.98 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.443 -1.688 . . . . 54.15 106.443 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.07 115.72 31.15 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.264 -0.643 . . . . 72.33 109.264 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.6 mp -74.74 120.04 19.74 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.401 0.62 . . . . 43.31 112.513 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 44.9 mm -95.47 -56.13 5.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 115.297 -0.865 . . . . 70.33 111.331 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.34 155.09 43.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.871 -0.604 . . . . 74.34 111.826 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 678' ' ' LEU . 15.0 p -135.17 128.03 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 115.705 -0.68 . . . . 74.51 109.311 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 84.1 m-20 51.63 30.79 6.97 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.649 0.981 . . . . 63.43 113.649 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 90.63 -15.39 60.48 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.812 -0.709 . . . . 60.23 113.37 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.7 127.11 36.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.32 -0.992 . . . . 62.02 108.32 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 50.8 m -93.7 140.55 29.51 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 112.782 0.66 . . . . 72.32 112.782 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.531 HD12 ' HB1' ' A' ' 658' ' ' ALA . 0.9 OUTLIER -112.71 -3.71 14.2 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 116.011 -0.541 . . . . 72.11 111.246 175.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.05 93.91 0.22 Allowed 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.863 -0.792 . . . . 70.33 108.863 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 142.27 -25.91 2.32 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 115.723 -0.671 . . . . 64.4 112.113 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -98.65 152.68 19.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.232 -0.284 . . . . 71.14 110.232 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.52 167.22 9.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.211 0.449 . . . . 44.31 112.211 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.32 -47.28 81.95 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.283 0.845 . . . . 75.45 113.283 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.709 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -68.45 -30.63 69.54 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 121.035 -0.266 . . . . 74.23 110.639 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.33 -47.32 64.76 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.252 -1.018 . . . . 70.32 108.252 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.531 ' HB1' HD12 ' A' ' 650' ' ' LEU . . . -56.21 -43.72 78.83 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.578 -1.646 . . . . 74.24 111.066 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.524 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 63.0 mtt -60.71 -42.32 97.0 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.386 0.429 . . . . 73.33 111.769 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -61.51 -45.67 93.2 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.931 -0.308 . . . . 75.32 110.821 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.4 m -59.02 -43.5 91.6 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.143 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 666' ' ' MET . 97.7 mt -63.33 -56.51 15.83 Favored 'General case' 0 C--O 1.204 -1.325 0 CA-C-N 116.411 -0.359 . . . . 71.2 110.73 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 659' ' ' MET . 75.3 mtp180 -55.13 -39.93 69.96 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.457 0.646 . . . . 71.13 110.989 -175.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -74.66 -51.37 14.58 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.427 -0.806 . . . . 72.12 111.448 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 -31.9 51.79 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 113.255 0.835 . . . . 44.13 113.255 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 4.3 ppp? -68.29 -33.97 75.31 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.305 -0.558 . . . . 64.43 110.684 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.6 t -92.54 -56.59 2.97 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.961 -0.563 . . . . 72.33 110.375 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 71.9 m -65.84 -41.78 91.32 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.225 0.454 . . . . 73.31 112.225 -172.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 43.9 mt-10 -93.3 -18.63 22.22 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.618 -0.833 . . . . 62.14 110.849 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.6 -55.16 18.86 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.438 -0.665 . . . . 73.33 111.438 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -73.71 -13.0 60.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.468 0.651 . . . . 72.12 110.672 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -75.43 -54.62 6.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.354 -0.839 . . . . 74.24 109.383 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 38.8 mmt180 -70.0 -37.29 75.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 73.34 109.671 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.3 42.55 Favored Glycine 0 CA--C 1.501 -0.82 0 N-CA-C 110.012 -1.235 . . . . 60.02 110.012 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.0 ptm -145.66 144.92 30.7 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.667 -1.235 . . . . 72.23 107.667 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.512 HG23 ' HB ' ' A' ' 591' ' ' VAL . 9.4 tt -110.45 136.7 45.64 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-O 121.676 0.751 . . . . 64.14 110.293 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.05 129.54 51.7 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.884 -1.053 . . . . 72.4 109.996 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.2 mm? -124.7 125.25 43.78 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.082 -0.71 . . . . 73.23 109.082 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.65 117.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.614 -1.254 . . . . 74.01 107.614 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.836 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.3 m -122.94 152.82 27.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 115.925 -0.58 . . . . 52.2 109.707 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -113.63 134.31 54.8 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.872 0.844 . . . . 31.03 112.869 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.684 ' HB2' ' NH2' ' A' ' 637' ' ' ARG . 8.1 tpt180 . . . . . 0 C--N 1.293 -1.88 0 CA-C-N 114.25 -1.341 . . . . 62.32 108.463 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 122.343 1.068 . . . . 73.13 111.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.484 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.6 mt-10 -106.49 150.24 26.29 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 113.6 -1.637 . . . . 72.41 109.298 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.67 131.14 26.99 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 105.924 -1.88 . . . . 64.2 105.924 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . 0.402 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -108.26 126.41 64.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 120.326 -0.549 . . . . 74.23 109.895 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 29.0 pt . . . . . 0 N--CA 1.408 -2.544 0 CA-C-O 118.232 -0.889 . . . . 73.23 109.055 177.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 45.9 mt-10 . . . . . 0 CA--C 1.485 -1.532 0 N-CA-C 109.465 -0.569 . . . . 75.42 109.465 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-N 115.537 -0.756 . . . . 70.31 109.04 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 84.9 mt -123.37 146.24 48.12 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 108.286 -1.005 . . . . 71.12 108.286 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 26.6 m -111.15 121.89 46.46 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.515 -0.766 . . . . 71.12 110.323 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.74 137.76 47.99 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 115.72 -0.673 . . . . 73.3 109.717 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.442 ' HG2' ' OE1' ' A' ' 677' ' ' GLN . 35.5 mt-10 -109.92 128.02 55.11 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.476 -0.564 . . . . 62.33 109.476 -177.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.465 ' HB ' HG23 ' A' ' 676' ' ' ILE . 59.0 t -128.9 116.76 19.2 Favored Pre-proline 0 C--N 1.294 -1.806 0 N-CA-C 108.386 -0.968 . . . . 63.02 108.386 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.1 Cg_endo -83.62 148.79 12.67 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.533 1.489 . . . . 65.31 111.724 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.41 73.32 3.99 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.826 0.822 . . . . 75.45 111.133 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -119.88 -74.88 0.59 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.488 -1.233 . . . . 72.44 108.796 175.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.64 -3.52 59.05 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.834 1.302 . . . . 73.3 107.637 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.585 ' HB2' ' HB3' ' A' ' 629' ' ' ALA . 44.6 t -102.37 124.1 47.34 Favored 'General case' 0 N--CA 1.405 -2.702 0 N-CA-C 103.251 -2.87 . . . . 74.02 103.251 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.18 10.83 Favored Glycine 1 C--N 1.243 -4.605 0 N-CA-C 107.445 -2.262 . . . . 73.33 107.445 -172.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 41.0 m -69.63 -25.06 63.75 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.403 -0.899 . . . . 62.14 108.646 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -135.44 -67.28 0.54 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.319 -1.734 . . . . 65.31 106.319 168.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -157.0 -71.96 0.01 OUTLIER Glycine 0 C--N 1.277 -2.732 0 N-CA-C 106.253 -2.739 . . . . 72.4 106.253 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 676' ' ' ILE . 11.0 mp -125.44 -41.74 2.01 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 124.526 1.13 . . . . 62.53 108.39 170.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 104.42 48.7 1.1 Allowed Glycine 1 N--CA 1.391 -4.364 0 N-CA-C 108.867 -1.693 . . . . 75.24 108.867 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.3 t -136.94 153.49 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 N-CA-C 107.032 -1.47 . . . . 72.24 107.032 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 29.2 m -115.68 135.05 54.43 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 107.913 -1.143 . . . . 41.35 107.913 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.484 HG11 HD21 ' A' ' 642' ' ' LEU . 9.4 m -124.89 164.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.103 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.641 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.68 152.63 35.66 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.784 -0.644 . . . . 64.1 110.666 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -106.77 134.42 12.16 Favored Glycine 0 C--N 1.293 -1.837 0 C-N-CA 120.195 -1.002 . . . . 42.44 112.025 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.14 144.64 42.31 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.044 -0.724 . . . . 64.43 109.044 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.597 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 30.2 ttt180 -134.42 128.79 34.25 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 116.55 -0.295 . . . . 75.11 110.688 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 57.1 m . . . . . 0 C--N 1.297 -1.717 0 N-CA-C 108.99 -0.744 . . . . 70.31 108.99 176.298 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 108.316 -0.994 . . . . 72.33 108.316 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.4 p30 -88.06 154.43 20.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.424 -0.91 . . . . 72.32 112.186 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.12 -5.91 46.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.344 -0.844 . . . . 65.04 110.871 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.19 -154.31 18.11 Favored Glycine 0 C--N 1.304 -1.229 0 C-N-CA 120.451 -0.88 . . . . 70.11 112.838 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.7 126.85 72.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.26 -0.645 . . . . 75.12 109.26 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -119.1 149.11 42.25 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 122.791 0.436 . . . . 73.43 110.165 -177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.466 ' HA ' HG12 ' A' ' 605' ' ' VAL . 64.0 t -70.39 139.79 19.53 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 N-CA-C 109.568 -0.531 . . . . 74.43 109.568 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.21 -42.73 3.14 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 122.042 -0.411 . . . . 63.03 111.178 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 37.6 t -149.12 138.56 21.66 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.608 -0.516 . . . . 62.01 109.608 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -97.91 128.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.439 -0.948 . . . . 71.44 108.439 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.03 113.48 25.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 109.511 -0.552 . . . . 43.41 109.511 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -70.07 123.8 22.5 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.605 -0.725 . . . . 55.52 109.3 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 126.56 -22.56 5.83 Favored Glycine 0 C--N 1.3 -1.466 0 N-CA-C 110.647 -0.981 . . . . 72.4 110.647 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -88.41 164.0 33.02 Favored Glycine 0 N--CA 1.436 -1.318 0 N-CA-C 110.192 -1.163 . . . . 75.45 110.192 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 596' ' ' SER . . . -68.16 -29.01 67.79 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 117.771 0.785 . . . . 64.12 110.819 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -66.07 -24.25 66.68 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 116.044 -0.526 . . . . 73.14 110.977 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -72.77 -52.33 15.46 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.527 -1.269 . . . . 70.54 109.839 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER -75.88 -49.94 16.45 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.003 1.483 . . . . 53.34 115.003 -179.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.91 -39.62 29.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.749 0.648 . . . . 63.33 112.749 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -66.98 -43.81 90.31 Favored Glycine 0 C--O 1.207 -1.582 0 C-N-CA 120.542 -0.837 . . . . 74.32 113.356 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 57.43 27.21 13.58 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 117.543 0.671 . . . . 74.13 111.478 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.09 161.57 3.02 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 113.9 1.074 . . . . 73.22 113.9 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.507 ' O ' ' HB ' ' A' ' 638' ' ' VAL . 19.0 ttm-85 -99.75 -42.65 6.75 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 117.025 2.232 . . . . 62.04 117.025 -166.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 54.8 t 94.43 129.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 126.583 1.953 . . . . 64.54 109.483 -169.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 71.82 13.17 6.15 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.191 1.797 . . . . 61.12 109.875 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.04 144.15 26.35 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.523 -0.762 . . . . 55.34 110.328 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -87.59 127.47 35.27 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.138 -0.937 . . . . 54.5 112.684 -170.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.484 HD21 HG11 ' A' ' 605' ' ' VAL . 6.8 mp -81.61 118.42 22.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.325 0.583 . . . . 72.14 110.403 178.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.9 mm -100.36 -57.37 4.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.404 -0.816 . . . . 75.15 111.406 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.45 148.97 48.0 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.371 -0.377 . . . . 60.24 110.402 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 678' ' ' LEU . 9.2 p -135.87 131.7 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 CA-C-O 120.875 0.369 . . . . 65.33 110.289 -176.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.48 14.3 7.88 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.263 1.025 . . . . 62.3 111.857 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.45 -1.21 64.05 Favored Glycine 0 N--CA 1.437 -1.281 0 C-N-CA 120.894 -0.669 . . . . 73.32 111.581 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -103.43 134.7 46.36 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.108 -0.701 . . . . 64.11 109.108 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 60.2 m -90.92 141.63 28.63 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.978 -0.555 . . . . 75.03 111.262 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.2 pt? -133.98 7.61 3.73 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 111.974 0.361 . . . . 64.15 111.974 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.63 101.32 2.02 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.337 -1.357 . . . . 71.03 107.337 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.37 -25.97 0.6 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.395 -0.82 . . . . 61.15 111.433 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.7 OUTLIER -94.53 171.06 9.03 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.231 -0.285 . . . . 71.02 110.231 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.35 171.82 14.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.496 0.554 . . . . 74.41 112.496 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.412 HD21 ' HB2' ' A' ' 616' ' ' ASP . 15.0 m120 -50.01 -47.8 52.84 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 123.891 0.876 . . . . 72.24 110.497 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.09 -45.28 89.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.271 . . . . 74.2 111.163 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.1 -39.32 75.58 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.287 -0.87 . . . . 71.43 110.004 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -58.75 -46.21 87.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.008 -0.996 . . . . 71.13 111.431 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.09 -35.19 80.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.486 -0.485 . . . . 71.03 112.173 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.96 -44.22 96.64 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.439 -0.578 . . . . 62.44 109.439 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 77.1 m -63.94 -48.38 76.77 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.69 -0.686 . . . . 65.4 110.149 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 658' ' ' ALA . 96.0 mt -56.03 -55.98 26.32 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.678 -0.237 . . . . 63.51 111.595 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -61.82 -33.61 74.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.095 0.474 . . . . 74.45 111.486 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.36 -45.86 30.09 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.054 -0.521 . . . . 75.31 111.473 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.0 m -70.48 -35.47 73.28 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 120.596 -0.441 . . . . 72.02 110.459 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.622 ' HE3' HD13 ' A' ' 601' ' ' LEU . 23.9 ptm -70.8 -28.43 64.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.913 0.387 . . . . 72.3 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 48.3 t -87.87 -54.38 4.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.085 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 88.1 m -71.42 -54.78 9.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.033 -0.531 . . . . 72.2 111.922 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 29.7 mm-40 -81.53 -29.31 33.59 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.52 -0.309 . . . . 55.34 110.886 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.35 -59.31 11.03 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 116.378 -0.374 . . . . 71.3 112.609 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -66.52 -23.06 66.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.384 0.611 . . . . 75.01 110.225 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' A' ' 672' ' ' LYS . 0.4 OUTLIER -72.56 -49.08 34.96 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.249 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 29.2 mmt180 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.748 0.308 . . . . 63.01 110.734 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.99 -10.74 67.13 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.284 -1.126 . . . . 43.23 110.284 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.508 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.1 ptm -148.66 151.23 34.59 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.446 0.698 . . . . 43.03 109.257 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.737 HD13 HD11 ' A' ' 601' ' ' LEU . 13.8 tt -111.85 134.05 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.086 0 N-CA-C 107.972 -1.122 . . . . 63.43 107.972 177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . 0.442 ' OE1' ' HG2' ' A' ' 590' ' ' GLU . 5.4 tp-100 -106.19 130.41 54.07 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.239 -1.393 . . . . 54.04 107.239 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.3 mm? -124.44 125.44 44.28 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.817 -0.753 . . . . 72.41 111.05 -177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -107.44 121.88 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.128 -1.434 . . . . 75.1 107.128 172.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.37 161.15 25.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 N-CA-C 109.56 -0.533 . . . . 74.01 109.56 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -110.4 124.54 51.92 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.716 -1.216 . . . . 61.42 107.716 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.583 0 CA-C-N 115.594 -0.73 . . . . 75.24 111.033 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 N--CA 1.418 -2.063 0 N-CA-C 113.187 0.81 . . . . 62.12 113.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.641 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 40.6 mt-10 -116.22 131.43 56.95 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 113.426 -1.716 . . . . 61.31 107.862 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.1 tp -129.61 129.08 43.91 Favored 'General case' 0 N--CA 1.404 -2.772 0 CA-C-N 115.811 -0.631 . . . . 72.24 110.273 -177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.63 122.5 47.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 109.308 -0.627 . . . . 73.11 109.308 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.481 HG22 ' SD ' ' A' ' 666' ' ' MET . 26.4 pt . . . . . 0 N--CA 1.401 -2.889 0 N-CA-C 108.136 -1.061 . . . . 45.41 108.136 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 16.9 pt-20 . . . . . 0 N--CA 1.44 -0.971 0 CA-C-O 120.727 0.298 . . . . 74.35 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . 0.512 ' CE2' HG21 ' A' ' 643' ' ' ILE . 4.1 m-30 -91.8 128.49 37.65 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.459 -0.792 . . . . 73.43 109.58 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.427 HD12 HH22 ' A' ' 637' ' ' ARG . 96.0 mt -126.73 131.44 51.34 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.313 -0.995 . . . . 74.34 108.313 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 29.9 m -101.41 124.14 46.61 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.276 -0.874 . . . . 65.24 110.844 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -118.86 130.18 55.61 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.953 -0.567 . . . . 72.05 109.489 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.94 135.34 48.67 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 120.977 0.417 . . . . 65.3 110.149 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 676' ' ' ILE . 61.0 t -125.14 117.82 25.47 Favored Pre-proline 0 C--N 1.291 -1.949 0 N-CA-C 108.549 -0.908 . . . . 72.04 108.549 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 70.6 Cg_endo -79.27 147.04 20.21 Favored 'Trans proline' 0 N--CA 1.427 -2.42 0 N-CA-C 108.895 -1.233 . . . . 53.32 108.895 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.42 80.16 4.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 122.064 0.935 . . . . 75.11 109.691 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 596' ' ' SER . 13.3 m120 -122.83 119.54 30.85 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 114.258 -1.337 . . . . 74.35 111.063 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 t70 71.59 -11.38 0.73 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.52 1.528 . . . . 53.14 111.457 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 594' ' ' ASN . 20.3 m -82.06 102.41 10.99 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 115.025 -0.989 . . . . 50.45 108.87 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -131.54 -39.85 0.24 Allowed Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 109.367 -1.493 . . . . 55.44 109.367 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.1 m -72.99 -21.62 60.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.713 0.768 . . . . 73.54 109.381 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.88 43.36 Favored 'General case' 0 N--CA 1.395 -3.212 0 N-CA-C 105.493 -2.04 . . . . 74.42 105.493 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -76.91 -52.57 5.73 Favored Glycine 0 C--N 1.27 -3.13 0 N-CA-C 110.01 -1.236 . . . . 52.12 110.01 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 676' ' ' ILE . 12.4 mt -113.81 -35.3 5.19 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.265 -1.013 . . . . 72.41 108.265 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.554 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.49 51.94 2.61 Favored Glycine 0 N--CA 1.401 -3.648 0 CA-C-N 114.378 -1.283 . . . . 34.34 110.505 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.5 t -140.2 152.0 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 N-CA-C 106.275 -1.75 . . . . 71.52 106.275 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 40.1 m -111.87 131.93 55.04 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.959 -1.497 . . . . 73.43 106.959 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 621' ' ' VAL . 4.2 m -124.76 164.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.688 0 CA-C-O 121.336 0.589 . . . . 71.12 112.027 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.415 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 22.5 pttp -149.1 152.34 35.99 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.828 -1.078 . . . . 65.55 109.747 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.37 122.19 5.74 Favored Glycine 0 C--N 1.276 -2.79 0 C-N-CA 120.546 -0.835 . . . . 62.23 111.26 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -94.41 138.84 31.87 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-O 121.474 0.654 . . . . 54.15 111.099 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 56.0 ttp180 -130.45 125.27 33.99 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 107.586 -1.264 . . . . 73.33 107.586 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.304 -1.387 0 O-C-N 123.835 0.709 . . . . 65.31 109.235 -179.195 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 108.712 -0.847 . . . . 61.42 108.712 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.6 p-10 -86.14 141.22 29.54 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 119.816 -0.754 . . . . 63.22 109.945 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.37 -12.45 40.35 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.296 -0.865 . . . . 74.4 109.52 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 108.81 -167.28 12.98 Favored Glycine 0 C--N 1.311 -0.823 0 CA-C-N 115.238 -0.892 . . . . 63.12 112.94 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -99.27 131.19 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.373 0.669 . . . . 64.32 109.94 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 87.2 m-85 -130.56 144.96 51.76 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.806 0.336 . . . . 64.42 110.567 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.506 ' HA ' HG12 ' A' ' 605' ' ' VAL . 84.7 t -65.82 131.83 31.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 CA-C-N 116.048 -0.524 . . . . 75.14 110.376 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -105.7 -38.06 6.53 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 120.942 0.401 . . . . 63.22 110.834 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.9 t -149.01 135.79 19.69 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 109.617 -0.512 . . . . 52.45 109.617 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.03 125.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.143 -1.058 . . . . 74.15 108.143 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -92.42 113.76 28.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.35 0.595 . . . . 64.33 109.758 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.15 114.14 15.64 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.009 -1.108 . . . . 62.41 108.009 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.17 -22.28 2.76 Favored Glycine 0 N--CA 1.427 -1.944 0 N-CA-C 110.355 -1.098 . . . . 75.13 110.355 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -89.47 156.1 25.54 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.723 -0.751 . . . . 71.33 111.866 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.41 74.09 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 111.723 0.268 . . . . 75.33 111.723 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -63.13 -27.24 69.24 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-O 121.304 0.573 . . . . 65.24 110.588 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.4 t -74.37 -54.82 6.86 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.049 -0.978 . . . . 74.55 109.766 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.367 0.0 OUTLIER -75.82 -35.2 60.1 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.582 1.697 . . . . 64.31 115.582 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 -47.14 19.28 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 112.403 0.52 . . . . 54.25 112.403 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.51 -43.06 5.63 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.06 -1.067 . . . . 74.0 114.976 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 61.75 82.96 0.16 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.758 -0.46 . . . . 73.4 109.758 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.34 177.93 4.73 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.102 -0.374 . . . . 75.34 111.539 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.0 OUTLIER -112.79 170.44 8.19 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.133 -0.692 . . . . 72.44 109.133 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.4 t -85.68 142.19 13.51 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 107.439 -1.319 . . . . 74.54 107.439 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 68.71 18.85 8.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.017 1.327 . . . . 73.14 109.578 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 37.0 t0 -70.68 137.63 49.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.635 -1.246 . . . . 75.03 107.635 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -86.49 113.05 22.1 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 123.819 0.847 . . . . 62.43 111.316 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.444 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.6 mp -80.37 121.79 26.14 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 120.969 0.414 . . . . 44.33 109.972 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.512 HG21 ' CE2' ' A' ' 586' ' ' PHE . 49.4 mm -101.4 -60.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.699 -0.682 . . . . 75.22 111.62 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -138.62 157.59 45.86 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.991 -0.55 . . . . 65.35 110.628 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.512 HG23 HD13 ' A' ' 678' ' ' LEU . 14.9 p -138.49 131.69 40.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 O-C-N 123.344 0.402 . . . . 75.01 109.92 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.456 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 86.5 m-20 52.45 29.57 7.17 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.52 0.933 . . . . 74.15 113.52 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.39 -8.7 78.05 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.9 -0.667 . . . . 51.15 113.098 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.45 130.37 34.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 106.63 -1.619 . . . . 74.44 106.63 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.6 t -89.12 111.52 22.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.605 0.716 . . . . 72.33 111.12 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.429 ' HA ' ' HZ3' ' A' ' 653' ' ' LYS . 6.5 mp -92.87 -18.98 22.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 115.877 -0.602 . . . . 61.31 109.85 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.432 ' HB2' HG23 ' A' ' 643' ' ' ILE . 2.5 tm? -71.94 94.79 1.49 Allowed 'General case' 0 N--CA 1.428 -1.561 0 N-CA-C 108.208 -1.034 . . . . 71.55 108.208 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.98 -41.07 0.61 Allowed Glycine 0 C--N 1.287 -2.157 0 N-CA-C 108.902 -1.679 . . . . 71.13 108.902 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . 0.429 ' HZ3' ' HA ' ' A' ' 650' ' ' LEU . 16.1 pttm -88.26 166.53 14.26 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.576 -0.812 . . . . 73.25 109.716 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.14 160.65 29.54 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 123.328 0.392 . . . . 63.23 111.402 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.659 ' O ' ' HG3' ' A' ' 659' ' ' MET . 32.9 p30 -49.35 -46.48 47.09 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.166 0.802 . . . . 71.35 113.166 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.39 -46.87 79.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.418 0.628 . . . . 75.2 110.758 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.74 -42.31 95.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.315 -0.857 . . . . 72.01 108.857 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.61 77.18 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.75 -1.113 . . . . 61.34 110.971 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.659 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.2 mtp -61.58 -42.04 98.28 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.056 0.142 . . . . 70.21 110.797 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.02 -41.04 87.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.871 0.367 . . . . 65.23 110.611 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.4 m -66.02 -39.45 90.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.874 -0.417 . . . . 74.33 109.874 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.2 -52.54 65.25 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 124.125 0.97 . . . . 71.34 111.165 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 659' ' ' MET . 71.2 mtp180 -56.04 -49.08 74.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.714 0.634 . . . . 65.44 110.616 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -66.67 -43.22 85.11 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 115.683 -0.69 . . . . 73.34 111.771 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 42.4 m -70.38 -31.33 68.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 122.018 -0.426 . . . . 55.34 111.495 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.45 ' SD ' HG22 ' B' ' 784' ' ' ILE . 22.2 ptm -77.8 -35.47 51.41 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.216 -0.994 . . . . 74.13 110.358 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 34.4 t -76.54 -48.56 18.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 74.13 110.219 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 89.0 m -75.43 -50.62 15.25 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.24 -0.436 . . . . 74.25 112.127 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -86.82 -56.32 3.45 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.282 -0.967 . . . . 55.24 112.446 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -51.97 -59.13 9.12 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 114.086 0.394 . . . . 50.14 114.086 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -70.18 -4.9 23.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.495 0.924 . . . . 60.23 113.495 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -114.07 -28.16 7.43 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.34 -0.544 . . . . 75.23 111.781 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -76.24 -27.03 56.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.73 -0.841 . . . . 75.33 108.73 173.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 99.53 -20.73 48.42 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.734 -0.946 . . . . 75.32 110.734 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.434 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.7 ptp -146.45 153.66 40.7 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.161 0.505 . . . . 74.35 109.651 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.6 HG21 HD21 ' A' ' 601' ' ' LEU . 8.6 tt -122.21 144.49 31.34 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.707 0 CA-C-N 114.87 -1.059 . . . . 74.13 110.081 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -109.66 129.96 55.55 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.81 -0.441 . . . . 75.4 109.81 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 645' ' ' VAL . 1.5 mm? -122.99 128.59 50.41 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.876 -0.416 . . . . 54.43 109.876 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -108.4 118.23 55.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.21 -1.404 . . . . 75.11 107.21 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.423 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 24.0 m -123.15 158.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 123.283 0.365 . . . . 73.1 110.138 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -124.92 125.62 44.22 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.098 0.475 . . . . 61.44 110.717 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 . . . . . 0 C--N 1.301 -1.527 0 N-CA-C 108.794 -0.817 . . . . 64.14 108.794 178.539 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . 0.581 ' HB3' ' SD ' ' A' ' 659' ' ' MET . 7.9 mm-40 . . . . . 0 CA--C 1.49 -1.344 0 N-CA-C 113.362 0.875 . . . . 72.14 113.362 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 24.0 mt-10 -130.16 134.52 47.37 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 113.891 -1.504 . . . . 64.35 110.142 -178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 58.4 tp -136.9 131.61 33.35 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 116.074 -0.512 . . . . 71.41 109.973 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -98.02 121.73 48.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 107.644 -1.243 . . . . 72.15 107.644 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.501 HD12 HD12 ' A' ' 601' ' ' LEU . 11.0 pt . . . . . 0 N--CA 1.411 -2.392 0 CA-C-O 117.84 -1.076 . . . . 71.11 110.455 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.244 0.797 0 N-CA-C 109.267 -0.642 . . . . 73.24 109.267 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 643' ' ' ILE . 3.2 m-30 -102.66 122.34 44.24 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.314 0.383 . . . . 74.21 110.697 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 146.32 32.1 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.191 -0.67 . . . . 62.54 109.191 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 24.6 m -110.68 121.28 44.94 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.508 -0.923 . . . . 64.41 108.508 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.53 127.63 53.81 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.374 -0.375 . . . . 62.44 110.045 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.34 119.31 38.42 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.417 -0.957 . . . . 63.52 108.417 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.417 ' HB ' HG23 ' A' ' 676' ' ' ILE . 87.6 t -116.97 117.19 37.39 Favored Pre-proline 0 C--N 1.283 -2.292 0 CA-C-N 115.257 -0.883 . . . . 74.52 109.697 -171.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.3 Cg_endo -78.09 148.46 24.56 Favored 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.494 1.463 . . . . 64.03 110.465 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.57 73.23 3.28 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 122.577 1.179 . . . . 61.31 110.132 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -107.99 -67.33 0.97 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 113.634 -1.621 . . . . 74.34 107.919 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . 0.511 ' HB2' ' N ' ' A' ' 629' ' ' ALA . 5.3 m-20 -86.08 73.39 10.27 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 122.526 1.155 . . . . 73.45 108.309 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 41.0 t -143.24 135.13 26.75 Favored 'General case' 0 N--CA 1.384 -3.761 0 CA-C-N 112.7 -2.045 . . . . 73.33 106.869 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 164.55 -45.93 0.3 Allowed Glycine 1 C--N 1.25 -4.235 0 N-CA-C 109.551 -1.42 . . . . 60.04 109.551 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 29.1 t -81.34 -32.05 33.17 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 107.954 -1.128 . . . . 71.24 107.954 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -148.49 -175.32 4.88 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 106.26 -1.756 . . . . 72.31 106.26 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -91.77 -60.31 1.28 Allowed Glycine 0 C--N 1.267 -3.26 0 N-CA-C 109.872 -1.291 . . . . 73.23 109.872 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 676' ' ' ILE . 6.9 mp -108.39 -28.05 9.61 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.19 -0.67 . . . . 60.5 109.19 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 82.52 49.9 4.97 Favored Glycine 1 N--CA 1.391 -4.331 0 N-CA-C 109.288 -1.525 . . . . 30.33 109.288 -178.618 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.11 151.56 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.108 0 N-CA-C 106.939 -1.504 . . . . 75.43 106.939 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 45.3 m -114.63 132.57 56.32 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 107.225 -1.398 . . . . 45.11 107.225 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.0 m -124.2 162.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.117 0 CA-C-N 115.585 -0.734 . . . . 64.23 111.209 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.521 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -150.23 153.51 36.34 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.081 -0.963 . . . . 60.31 109.078 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.47 152.47 17.21 Favored Glycine 0 C--N 1.267 -3.252 0 C-N-CA 119.605 -1.283 . . . . 70.2 111.216 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.562 HD22 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -123.36 130.36 52.61 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.986 -1.487 . . . . 74.41 106.986 179.149 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.562 ' N ' HD22 ' A' ' 608' ' ' ASN . 48.8 ttp180 -127.73 138.72 52.87 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.734 -0.469 . . . . 64.12 109.734 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.307 -1.272 0 CA-C-N 115.549 -0.75 . . . . 53.23 111.972 -178.161 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.543 0 N-CA-C 109.581 -0.525 . . . . 64.11 109.581 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.0 m-20 -84.28 143.37 29.59 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.4 -1.333 . . . . 62.21 107.4 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.61 -15.79 38.69 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.808 -1.182 . . . . 74.31 107.808 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 114.21 -169.0 12.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.648 -1.16 . . . . 71.24 112.226 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.449 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 48.5 mm -103.59 126.37 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.215 -1.032 . . . . 73.5 108.215 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -119.99 148.44 43.55 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 122.805 0.442 . . . . 70.41 110.053 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 605' ' ' VAL . 73.9 t -68.67 130.91 33.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 109.708 -0.478 . . . . 63.43 109.708 173.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -105.87 -38.01 6.49 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 116.101 -0.499 . . . . 75.33 111.206 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.7 m -150.04 140.48 22.39 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.181 -0.463 . . . . 65.51 109.957 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.0 mp -104.11 129.26 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 108.725 -0.843 . . . . 73.45 108.725 177.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.496 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.3 mt -89.96 119.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 CA-C-N 115.9 -0.591 . . . . 63.11 109.653 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -79.07 90.6 4.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.133 -1.062 . . . . 73.12 108.133 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 160.94 33.3 0.02 OUTLIER Glycine 0 C--N 1.291 -1.955 0 N-CA-C 109.592 -1.403 . . . . 64.31 109.592 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 601' ' ' LEU . . . -148.9 150.6 22.77 Favored Glycine 0 N--CA 1.425 -2.092 0 N-CA-C 110.263 -1.135 . . . . 53.5 110.263 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . 0.511 ' N ' ' HB2' ' A' ' 595' ' ' ASP . . . -65.27 -29.93 70.75 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.199 0.444 . . . . 71.12 112.199 -176.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.89 64.54 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 121.242 0.544 . . . . 32.12 110.235 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 32.8 t -74.6 -52.42 11.82 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.379 -0.828 . . . . 74.22 109.667 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.19 -50.02 21.04 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.263 0.838 . . . . 62.22 113.263 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -80.28 -42.82 22.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.303 0.483 . . . . 71.14 112.303 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -87.58 -43.68 5.73 Favored Glycine 0 C--O 1.223 -0.532 0 C-N-CA 120.43 -0.89 . . . . 73.25 114.77 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 635' ' ' ARG . 2.4 mmp_? 61.93 81.58 0.19 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.545 0.673 . . . . 74.23 112.056 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.83 171.65 8.17 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.755 -0.461 . . . . 75.11 109.755 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 0.4 OUTLIER -117.69 169.78 9.3 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.072 -0.651 . . . . 75.31 109.609 -175.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.99 144.14 10.68 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 107.054 -1.461 . . . . 75.14 107.054 171.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 59.2 t30 71.57 18.92 5.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.563 1.173 . . . . 75.42 109.044 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.443 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 52.1 t0 -84.59 129.48 34.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.205 -1.406 . . . . 70.21 107.205 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -89.4 122.69 32.86 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.198 0.444 . . . . 72.02 112.198 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.434 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.5 mp -81.94 114.19 20.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.688 -0.687 . . . . 72.11 110.229 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.478 HG21 ' CE2' ' A' ' 586' ' ' PHE . 45.1 mm -94.15 -55.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.497 -0.774 . . . . 74.23 111.088 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -140.58 146.0 37.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.305 -0.861 . . . . 33.24 110.515 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.71 130.67 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 CA-C-O 121.144 0.497 . . . . 54.14 110.083 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.402 ' ND2' HG13 ' A' ' 676' ' ' ILE . 18.6 m120 57.16 23.68 8.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.823 1.249 . . . . 53.34 111.903 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 92.2 6.19 65.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.897 -0.668 . . . . 60.12 113.355 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -117.95 126.85 53.12 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 122.134 -0.627 . . . . 72.24 109.614 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.8 m -78.35 146.35 34.72 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 120.769 0.319 . . . . 71.03 111.358 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.82 17.58 2.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.627 0.727 . . . . 75.31 109.871 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.5 -14.5 62.55 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.132 -0.94 . . . . 71.04 111.034 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -115.27 45.08 1.36 Allowed Glycine 0 N--CA 1.435 -1.386 0 C-N-CA 120.771 -0.728 . . . . 53.22 112.869 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.82 176.24 10.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 117.025 0.412 . . . . 75.14 110.787 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.87 165.58 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.174 0.589 . . . . 73.51 112.165 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -48.35 76.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.272 0.358 . . . . 75.14 111.198 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.44 -52.31 65.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 121.43 0.634 . . . . 63.33 111.315 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.02 -43.88 78.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 113.959 -1.473 . . . . 54.21 110.209 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -61.6 -43.82 98.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.658 -0.701 . . . . 64.12 110.981 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.81 -41.07 96.07 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 120.65 0.262 . . . . 71.2 111.019 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -61.02 -44.53 97.28 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 108.788 -0.819 . . . . 65.24 108.788 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 94.0 m -61.33 -46.56 89.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.948 0.499 . . . . 53.44 110.918 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -57.43 -56.79 17.25 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 122.246 0.218 . . . . 65.24 111.323 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.57 -37.72 87.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 72.55 110.191 -176.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.62 -46.41 89.94 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 115.433 -0.803 . . . . 71.4 110.191 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.8 m -69.42 -33.6 73.21 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 116.489 -0.323 . . . . 60.41 110.866 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.1 mtp -69.89 -41.38 74.82 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.188 0.518 . . . . 74.44 109.971 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 21.8 t -77.67 -50.49 12.37 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.488 -0.778 . . . . 72.31 110.715 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.8 m -74.23 -49.97 21.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 112.227 0.455 . . . . 74.41 112.227 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -94.15 -44.4 8.02 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 112.931 0.715 . . . . 61.03 112.931 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.22 -56.72 22.8 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-O 120.129 -0.261 . . . . 51.34 113.391 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.88 -8.27 53.39 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.097 0.475 . . . . 71.31 111.679 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -90.87 -54.72 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.121 -0.49 . . . . 75.12 110.255 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -73.0 -28.85 62.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.903 -0.589 . . . . 64.45 111.077 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 95.44 -13.47 66.59 Favored Glycine 0 C--O 1.242 0.598 0 N-CA-C 110.499 -1.04 . . . . 73.21 110.499 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.409 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 20.6 ptp -147.31 145.09 29.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 123.629 0.772 . . . . 71.42 109.87 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 601' ' ' LEU . 11.5 tt -112.44 135.03 53.1 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-N 115.044 -0.98 . . . . 63.2 110.566 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.87 132.6 50.91 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.025 -0.534 . . . . 72.23 110.488 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 601' ' ' LEU . 0.9 OUTLIER -127.26 127.84 45.04 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.393 -0.595 . . . . 74.11 109.393 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -106.01 115.9 48.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.872 -1.529 . . . . 70.53 106.872 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.443 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.4 m -123.72 152.77 29.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.971 0 CA-C-N 116.109 -0.496 . . . . 73.02 109.874 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.06 127.96 54.3 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.393 -0.367 . . . . 72.44 111.222 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.467 ' NH2' HH21 ' A' ' 637' ' ' ARG . 4.1 ptp180 . . . . . 0 C--N 1.312 -1.05 0 N-CA-C 107.534 -1.284 . . . . 43.35 107.534 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 120.653 0.264 . . . . 61.21 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 42.4 mt-10 -115.92 152.38 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.715 0.806 . . . . 71.3 110.088 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.74 135.02 20.57 Favored 'General case' 0 N--CA 1.421 -1.923 0 N-CA-C 107.538 -1.282 . . . . 74.11 107.538 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -104.87 129.51 57.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.625 -0.88 . . . . 73.24 108.625 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.545 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 24.6 pt . . . . . 0 N--CA 1.423 -1.795 0 CA-C-O 117.715 -1.136 . . . . 72.3 111.265 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.424 -1.725 0 N-CA-C 109.113 -0.699 . . . . 44.12 109.113 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.83 122.4 35.18 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 109.205 -0.665 . . . . 75.33 109.205 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 93.6 mt -112.28 131.27 55.6 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-O 120.992 0.425 . . . . 65.21 110.492 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 53.6 m -107.06 122.18 45.95 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-N 115.041 -0.981 . . . . 73.41 109.04 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -121.77 121.14 36.58 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.43 -0.35 . . . . 63.44 110.662 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.47 112.01 24.56 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.064 0.935 . . . . 74.04 108.609 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.03 118.96 51.43 Favored Pre-proline 0 C--N 1.278 -2.519 0 CA-C-N 113.712 -1.586 . . . . 64.02 109.925 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.74 148.2 41.08 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.567 1.512 . . . . 74.41 110.74 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.3 73.46 3.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.861 0.838 . . . . 74.44 108.991 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.73 -51.94 3.32 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.687 -1.142 . . . . 65.43 110.75 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.78 17.33 9.19 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 121.607 0.718 . . . . 74.4 109.434 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.695 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.1 t -73.6 116.72 14.52 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 114.888 -1.051 . . . . 75.15 110.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 177.67 -60.29 0.09 OUTLIER Glycine 1 C--N 1.254 -4.003 0 CA-C-N 113.139 -1.846 . . . . 52.44 109.697 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.4 p -77.61 -30.59 52.44 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.97 0.891 . . . . 25.04 109.415 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.695 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -152.6 170.13 20.96 Favored 'General case' 0 N--CA 1.402 -2.843 0 N-CA-C 104.064 -2.569 . . . . 64.45 104.064 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -88.95 -51.86 2.91 Favored Glycine 0 C--N 1.271 -3.08 0 N-CA-C 110.55 -1.02 . . . . 62.34 110.55 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 676' ' ' ILE . 6.2 mp -106.59 -36.3 6.79 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.612 -0.884 . . . . 73.41 108.612 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.612 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.17 49.12 3.37 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 109.924 -1.27 . . . . 65.33 109.924 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.414 HG21 HD12 ' A' ' 636' ' ' LEU . 11.7 t -134.81 152.32 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 N-CA-C 106.899 -1.519 . . . . 61.22 106.899 175.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 44.9 m -113.09 134.15 54.67 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.219 -1.03 . . . . 71.42 108.219 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.4 m -124.63 163.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 CA-C-N 116.026 -0.534 . . . . 71.34 111.51 177.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 152.55 34.45 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 115.154 -0.93 . . . . 60.12 109.324 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.38 137.72 13.86 Favored Glycine 0 C--N 1.28 -2.556 0 C-N-CA 119.456 -1.354 . . . . 60.24 111.836 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -113.53 145.46 41.18 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 109.099 -0.704 . . . . 74.32 109.099 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.581 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 24.7 ttt85 -133.17 133.84 43.34 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.57 -0.53 . . . . 74.42 109.57 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.423 -1.794 0 O-C-N 123.787 0.68 . . . . 75.24 109.423 -179.422 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.867 0 CA-C-O 120.857 0.36 . . . . 73.25 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 9.0 m-20 69.48 152.93 0.1 Allowed 'General case' 0 N--CA 1.435 -1.205 0 C-N-CA 125.343 1.457 . . . . 61.31 109.802 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 96.3 mt -99.56 -10.58 21.89 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 107.529 -1.286 . . . . 74.45 107.529 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 97.69 -164.52 21.93 Favored Glycine 0 CA--C 1.523 0.534 0 CA-C-N 114.648 -1.16 . . . . 43.51 112.375 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.467 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 45.8 mm -105.26 129.07 58.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.746 -0.835 . . . . 74.11 108.746 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.5 m-85 -123.73 149.85 45.06 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 122.344 0.258 . . . . 71.23 110.783 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.5 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.6 t -67.49 136.26 26.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.404 0.621 . . . . 73.24 110.487 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -106.37 -45.53 4.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.204 -0.453 . . . . 74.2 111.228 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 33.4 t -148.52 142.33 25.68 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 109.67 -0.493 . . . . 63.35 109.67 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.64 131.58 40.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.316 -0.994 . . . . 63.22 108.316 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.612 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 72.0 mt -93.55 123.47 45.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 110.04 -0.356 . . . . 75.22 110.04 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.15 132.16 45.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.671 -0.863 . . . . 62.11 108.671 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 91.82 42.88 4.63 Favored Glycine 0 C--N 1.297 -1.597 0 C-N-CA 120.247 -0.977 . . . . 75.24 110.97 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -139.87 140.27 10.58 Favored Glycine 0 N--CA 1.431 -1.662 0 N-CA-C 110.18 -1.168 . . . . 71.33 110.18 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.06 -30.26 71.34 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.374 0.509 . . . . 72.52 112.374 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.87 69.29 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.551 0.691 . . . . 73.42 109.694 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 19.2 m -73.59 -47.09 43.07 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 114.228 -1.351 . . . . 64.33 109.783 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -75.92 -52.54 10.07 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 114.186 1.18 . . . . 72.52 114.186 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -79.0 -52.76 7.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.226 0.824 . . . . 74.41 113.226 -170.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.74 -42.44 5.72 Favored Glycine 0 CA--C 1.495 -1.164 0 C-N-CA 120.103 -1.046 . . . . 54.44 111.968 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 71.57 95.43 0.07 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 122.429 1.109 . . . . 72.03 111.453 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . 0.414 HD12 HG21 ' A' ' 603' ' ' VAL . 90.4 mt -88.43 179.66 6.27 Favored 'General case' 0 C--N 1.268 -2.974 0 CA-C-N 113.634 -1.621 . . . . 74.51 109.315 175.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.607 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 0.2 OUTLIER -136.55 176.19 8.93 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.598 -0.889 . . . . 70.52 108.598 -175.223 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.79 132.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.938 0 C-N-CA 120.466 -0.494 . . . . 72.22 109.794 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.04 23.95 2.61 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.224 1.409 . . . . 61.33 111.77 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.607 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 2.9 p30 -78.58 151.14 32.57 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 118.095 -1.442 . . . . 60.12 109.436 171.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -92.39 115.11 27.8 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 116.022 -0.536 . . . . 71.22 112.215 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.458 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -76.57 109.52 10.38 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.673 0.749 . . . . 63.11 109.894 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.6 mm -87.19 -53.57 9.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.982 -1.008 . . . . 73.22 110.039 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -134.56 142.87 47.1 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.332 -0.849 . . . . 70.35 110.014 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 662' ' ' LEU . 10.0 p -126.99 119.57 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.276 0 CA-C-O 121.986 0.898 . . . . 73.14 111.299 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.465 ' HB2' HG13 ' A' ' 676' ' ' ILE . 56.6 t30 51.35 47.74 24.28 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.002 -1.454 . . . . 74.22 110.007 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 105.35 -51.8 0.75 Allowed Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.102 -1.047 . . . . 63.42 114.836 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.507 ' OE2' HG21 ' A' ' 661' ' ' THR . 36.7 tt0 -85.34 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.573 0.687 . . . . 72.52 112.008 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 45.6 m -84.5 120.27 26.12 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.652 -0.499 . . . . 52.52 109.652 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.01 -22.6 42.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 109.835 -0.431 . . . . 72.2 109.835 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.15 93.03 0.57 Allowed 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.603 -1.258 . . . . 64.15 107.603 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 161.75 -36.39 0.38 Allowed Glycine 0 C--N 1.301 -1.386 0 N-CA-C 110.375 -1.09 . . . . 55.34 110.375 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.29 156.04 18.24 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 110.301 -0.259 . . . . 73.11 110.301 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.28 168.6 5.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.912 0.485 . . . . 52.34 111.442 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 659' ' ' MET . 12.7 m120 -52.93 -49.95 64.99 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 112.075 0.398 . . . . 63.53 112.075 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.675 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -63.88 -42.46 97.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.819 0.342 . . . . 74.45 110.686 -175.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.11 -45.88 91.51 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.568 -0.742 . . . . 74.2 109.611 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.03 99.8 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.21 -0.905 . . . . 70.13 111.496 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.638 ' HE2' ' HB2' ' B' ' 782' ' ' LEU . 84.7 mtp -70.54 -37.08 74.02 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.524 -0.307 . . . . 71.43 110.95 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 16.1 mm-40 -65.59 -41.38 92.88 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 120.854 0.359 . . . . 75.04 110.692 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . 0.507 HG21 ' OE2' ' A' ' 648' ' ' GLU . 54.7 m -65.6 -43.46 89.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.792 -0.64 . . . . 72.31 109.53 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.599 ' O ' ' HG3' ' A' ' 666' ' ' MET . 56.7 tp -53.74 -55.5 25.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.922 -1.035 . . . . 73.24 111.037 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 659' ' ' MET . 43.6 mtm105 -54.84 -44.82 74.28 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.607 0.567 . . . . 70.1 110.861 -177.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -68.97 -51.29 41.01 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.841 -0.618 . . . . 74.43 111.58 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 36.7 m -77.53 -28.8 52.06 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 113.576 0.954 . . . . 71.24 113.576 -170.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 3.1 ppp? -76.2 -24.39 54.68 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.066 -1.054 . . . . 75.15 110.174 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.2 t -92.32 -56.86 2.89 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.598 -0.728 . . . . 72.54 109.777 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 52.6 m -71.21 -60.33 2.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.166 -0.47 . . . . 44.24 111.635 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -71.83 -27.75 63.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 120.95 0.405 . . . . 73.31 110.923 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -61.24 -54.28 37.66 Favored Glycine 0 CA--C 1.507 -0.443 0 N-CA-C 111.31 -0.716 . . . . 43.34 111.31 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.46 -19.51 64.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.169 0.509 . . . . 73.45 111.078 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.09 -53.17 10.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.144 -0.48 . . . . 62.15 110.558 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -69.16 -32.19 71.37 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.026 -0.534 . . . . 71.05 110.93 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 105.39 -36.88 4.11 Favored Glycine 0 C--N 1.309 -0.935 0 N-CA-C 110.1 -1.2 . . . . 65.22 110.1 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -136.58 154.17 50.76 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.849 -0.797 . . . . 72.21 108.849 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.495 HD13 HD11 ' A' ' 601' ' ' LEU . 8.7 tt -111.05 135.09 51.26 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 115.282 -0.872 . . . . 70.03 110.629 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -104.44 115.78 30.97 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.557 -0.747 . . . . 72.14 111.793 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.1 mm? -110.96 128.9 55.99 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 109.479 -0.563 . . . . 74.14 109.479 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.0 118.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.974 -1.491 . . . . 73.44 106.974 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.36 153.04 26.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 N-CA-C 109.194 -0.669 . . . . 75.34 109.194 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -110.66 124.8 52.62 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 109.06 -0.719 . . . . 71.31 109.06 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 . . . . . 0 C--N 1.285 -2.206 0 N-CA-C 108.264 -1.013 . . . . 65.12 108.264 178.098 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.435 -1.199 0 CA-C-O 120.936 0.398 . . . . 73.51 110.351 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -107.78 145.5 33.47 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.224 -0.898 . . . . 74.53 110.524 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.638 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.1 tm? -146.65 132.05 18.6 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 107.898 -1.149 . . . . 61.23 107.898 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 783' ' ' ILE . 1.9 mp -105.04 132.06 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 109.048 -0.723 . . . . 64.44 109.048 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.454 HD12 HD22 ' A' ' 601' ' ' LEU . 18.9 pt . . . . . 0 N--CA 1.411 -2.391 0 CA-C-O 117.488 -1.244 . . . . 64.43 111.15 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 15.2 pt-20 . . . . . 0 N--CA 1.442 -0.848 0 N-CA-C 108.745 -0.835 . . . . 73.54 108.745 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -106.27 127.71 53.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 120.717 0.294 . . . . 74.5 110.648 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.57 143.78 37.13 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.379 -0.971 . . . . 64.53 108.379 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 50.2 m -111.22 122.85 48.93 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 116.101 -0.499 . . . . 74.35 109.839 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.46 119.69 35.3 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.243 -0.651 . . . . 62.12 109.243 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -108.5 116.03 31.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.268 -0.642 . . . . 74.33 109.268 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 676' ' ' ILE . 66.2 t -105.67 116.86 59.27 Favored Pre-proline 0 C--N 1.28 -2.448 0 CA-C-N 115.2 -0.909 . . . . 65.33 109.154 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.65 148.69 47.65 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.61 1.54 . . . . 72.1 109.895 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 71.44 3.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.027 0.918 . . . . 62.13 111.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 629' ' ' ALA . 2.3 m-20 -123.77 129.39 50.99 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.207 -1.361 . . . . 50.22 108.253 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 63.29 22.39 13.29 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.866 0.841 . . . . 71.33 109.88 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.8 m -102.24 114.01 27.79 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-N 114.488 -1.233 . . . . 40.35 108.371 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 175.45 -46.57 0.13 Allowed Glycine 0 C--N 1.278 -2.654 0 N-CA-C 108.943 -1.663 . . . . 74.43 108.943 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.4 m -74.33 -29.68 61.71 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.861 0.839 . . . . 72.15 109.481 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -143.75 148.64 35.93 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 104.209 -2.515 . . . . 73.43 104.209 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -71.16 -56.78 6.67 Favored Glycine 0 C--N 1.282 -2.46 0 N-CA-C 110.528 -1.029 . . . . 65.0 110.528 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 676' ' ' ILE . 15.3 mt -115.87 -33.06 5.24 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.547 -1.279 . . . . 65.4 107.547 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.61 49.22 3.47 Favored Glycine 0 N--CA 1.4 -3.755 0 N-CA-C 109.25 -1.54 . . . . 70.43 109.25 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.0 t -139.23 153.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 106.381 -1.711 . . . . 60.3 106.381 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.0 m -113.42 135.42 53.89 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.067 -1.086 . . . . 75.34 108.067 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.407 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.0 m -124.53 162.3 26.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 121.108 0.48 . . . . 65.23 111.553 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.561 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 64.5 pttt -148.99 154.24 39.08 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 115.204 -0.907 . . . . 74.53 108.821 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.72 128.88 9.62 Favored Glycine 0 N--CA 1.411 -2.994 0 C-N-CA 119.343 -1.408 . . . . 73.24 111.585 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 620' ' ' PHE . 4.4 m-20 -99.72 121.65 41.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.775 -1.194 . . . . 61.13 107.775 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.54 ' HD3' ' OD2' ' A' ' 616' ' ' ASP . 35.6 ttp180 -129.45 148.83 51.4 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 109.745 -0.465 . . . . 74.14 109.745 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--N 1.287 -2.14 0 CA-C-N 115.574 -0.739 . . . . 63.32 110.728 178.275 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.297 0 CA-C-O 120.802 0.334 . . . . 74.42 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.54 ' OD2' ' HD3' ' A' ' 609' ' ' ARG . 2.0 m-20 -81.12 138.46 35.91 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 105.554 -2.017 . . . . 64.34 105.554 175.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.5 mt -87.98 -14.76 38.29 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.239 -1.023 . . . . 71.4 108.239 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 119.8 -171.24 14.37 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.697 -1.138 . . . . 75.25 112.572 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.19 128.16 55.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.418 -0.956 . . . . 72.43 108.418 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 80.6 m-85 -122.51 142.17 50.88 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 123.292 0.37 . . . . 65.51 110.448 -177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.4 132.94 29.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-O 121.375 0.607 . . . . 71.51 110.742 174.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.49 -40.28 5.62 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 116.332 -0.394 . . . . 72.22 111.238 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 143.48 25.73 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.218 -0.66 . . . . 72.21 109.218 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.17 133.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.596 -0.89 . . . . 72.34 108.596 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -97.55 111.95 28.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.968 -0.753 . . . . 71.24 108.968 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -75.0 113.8 12.74 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.547 -0.751 . . . . 75.03 109.458 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.93 -26.18 2.51 Favored Glycine 0 N--CA 1.429 -1.801 0 N-CA-C 109.987 -1.245 . . . . 53.02 109.987 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 158.49 34.97 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.974 -0.632 . . . . 55.14 111.623 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 594' ' ' ASN . . . -63.4 -32.19 73.55 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 111.867 0.321 . . . . 33.24 111.867 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.38 -30.0 69.68 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 121.027 0.442 . . . . 53.21 110.053 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.571 ' O ' ' HB2' ' A' ' 635' ' ' ARG . 42.3 t -78.86 -48.96 13.7 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.101 -0.954 . . . . 62.21 110.196 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.657 ' O ' ' HE2' ' A' ' 632' ' ' LYS . 0.0 OUTLIER -65.33 -52.38 54.29 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.856 -0.611 . . . . 74.23 110.354 -176.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -79.44 -53.96 6.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.196 1.184 . . . . 72.35 114.196 -170.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -101.75 -44.13 2.0 Allowed Glycine 0 C--O 1.229 -0.197 0 C-N-CA 119.273 -1.442 . . . . 31.22 114.252 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 631' ' ' SER . 32.6 ttm180 55.84 96.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.98 1.312 . . . . 62.42 112.814 -175.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . 0.567 ' HB3' ' OD2' ' A' ' 640' ' ' ASP . 6.0 mp -77.58 -167.72 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.237 -1.347 . . . . 72.03 110.456 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.602 ' NE ' ' HB3' ' A' ' 640' ' ' ASP . 5.0 ppt_? -131.0 148.29 52.73 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.449 0.642 . . . . 74.4 112.167 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.7 t -61.66 131.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.635 -0.711 . . . . 72.11 109.262 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 83.37 11.74 0.45 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.394 1.477 . . . . 65.41 112.59 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.602 ' HB3' ' NE ' ' A' ' 637' ' ' ARG 0.29 2.9 p30 -74.29 142.41 45.23 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 117.098 -1.841 . . . . 62.12 111.713 174.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.77 113.9 24.82 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.658 -0.701 . . . . 74.51 112.227 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.407 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -73.83 109.59 7.46 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.589 0.709 . . . . 60.13 110.396 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 651' ' ' LEU . 47.4 mm -89.89 -55.42 6.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.133 -0.939 . . . . 63.53 110.76 -175.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -139.4 145.44 38.93 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.995 -1.002 . . . . 73.14 110.655 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 678' ' ' LEU . 14.0 p -126.2 127.87 71.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 72.04 108.366 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.5 m-20 51.67 34.4 12.73 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.756 0.789 . . . . 75.41 112.371 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.55 58.61 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.907 -1.042 . . . . 73.54 113.673 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.21 125.42 35.47 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 117.751 0.775 . . . . 74.2 109.281 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.3 t -84.66 136.46 33.74 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.068 0.461 . . . . 53.0 110.244 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.6 pt? -130.82 17.42 5.18 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.943 0.877 . . . . 62.42 109.139 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 643' ' ' ILE . 4.3 tt -55.47 -31.18 61.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.792 -1.549 . . . . 71.04 111.291 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -110.14 14.72 30.97 Favored Glycine 0 N--CA 1.434 -1.447 0 C-N-CA 120.24 -0.981 . . . . 43.4 114.335 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -109.95 163.7 13.31 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.798 -1.161 . . . . 63.32 110.599 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.74 152.96 37.82 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.42 0.45 . . . . 51.54 111.309 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 13.6 m120 -55.0 -42.39 72.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.537 0.569 . . . . 70.41 112.537 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.29 -44.58 94.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.06 0.457 . . . . 70.41 110.123 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.25 -38.33 90.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.331 -0.85 . . . . 72.41 109.615 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -63.1 -44.01 96.87 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.645 -1.161 . . . . 33.13 111.102 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 mmt -58.4 -45.77 87.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.903 0.383 . . . . 64.15 110.52 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.43 -41.36 98.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.599 -0.728 . . . . 75.2 110.014 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.9 m -61.34 -48.9 79.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.474 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -56.81 -56.11 25.68 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 116.361 -0.381 . . . . 74.03 110.863 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.423 0.452 . . . . 74.34 111.174 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.55 -50.53 62.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.838 -0.619 . . . . 71.11 110.209 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -32.94 74.8 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 116.77 -0.195 . . . . 71.04 111.442 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -67.86 -41.69 82.5 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.07 0.462 . . . . 73.44 110.441 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 27.5 t -80.8 -48.53 12.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.569 -0.741 . . . . 75.21 110.891 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 64.6 m -76.52 -53.68 7.75 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.202 0.525 . . . . 73.31 112.144 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.56 -40.07 11.55 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.133 -0.485 . . . . 51.43 112.126 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.98 -58.71 13.15 Favored Glycine 0 C--O 1.249 1.069 0 CA-C-N 116.022 -0.535 . . . . 61.24 112.193 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -81.05 69.43 7.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.74 0.781 . . . . 73.42 109.989 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -174.67 -53.51 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 113.885 -1.507 . . . . 71.22 107.669 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -67.98 -21.85 65.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.328 -0.851 . . . . 73.12 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.73 -30.32 9.08 Favored Glycine 0 CA--C 1.5 -0.868 0 N-CA-C 110.774 -0.931 . . . . 64.53 110.774 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.8 ptp -143.93 155.42 44.05 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.257 -1.016 . . . . 61.22 108.257 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.562 HG21 HD21 ' A' ' 601' ' ' LEU . 7.3 tt -110.28 133.44 55.66 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 CA-C-N 115.7 -0.682 . . . . 74.41 109.342 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -101.91 126.0 48.72 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 115.362 -0.836 . . . . 65.41 110.237 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.2 mm? -119.38 123.79 45.0 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.629 -0.878 . . . . 63.41 108.629 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.25 117.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 106.911 -1.515 . . . . 73.13 106.911 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.28 152.91 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 110.027 -0.36 . . . . 72.21 110.027 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -113.26 146.67 38.97 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.283 0.564 . . . . 64.34 112.042 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.445 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 19.8 ptt180 . . . . . 0 C--N 1.305 -1.367 0 CA-C-N 115.216 -0.902 . . . . 70.23 108.609 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.429 -1.508 0 CA-C-O 121.506 0.67 . . . . 74.31 110.559 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.4 mt-10 -117.39 132.33 56.6 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 114.422 -1.263 . . . . 72.12 110.226 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.29 131.36 38.32 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 115.455 -0.793 . . . . 73.42 110.426 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.63 125.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.12 -1.067 . . . . 64.04 108.12 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.52 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 14.1 pt . . . . . 0 N--CA 1.413 -2.32 0 CA-C-O 117.98 -1.01 . . . . 72.34 108.486 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.424 -1.737 0 CA-C-O 121.103 0.477 . . . . 53.14 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.29 122.5 36.9 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.233 -0.894 . . . . 75.43 110.788 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 8.0 mp -109.77 144.0 38.81 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 116.032 -0.531 . . . . 73.1 109.571 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.9 m -111.01 121.31 45.04 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 121.432 0.634 . . . . 62.15 109.552 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . 0.455 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 50.0 m-85 -117.2 119.88 36.56 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 108.558 -0.905 . . . . 51.12 108.558 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.41 121.84 46.26 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.345 0.593 . . . . 74.3 110.273 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.426 ' HB ' HG23 ' A' ' 676' ' ' ILE . 85.5 t -114.58 117.84 42.07 Favored Pre-proline 0 C--N 1.285 -2.204 0 CA-C-N 114.782 -1.099 . . . . 75.34 109.894 -172.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.73 148.56 25.74 Favored 'Trans proline' 0 N--CA 1.442 -1.534 0 C-N-CA 121.57 1.513 . . . . 53.13 111.354 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.23 84.1 1.37 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.199 -1.037 . . . . 74.42 108.199 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -105.54 -75.91 0.62 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.544 -1.207 . . . . 71.42 111.166 -177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.09 31.51 3.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.111 -1.44 . . . . 62.33 107.111 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 42.9 m -71.02 9.69 0.67 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.496 -1.229 . . . . 65.31 113.947 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.41 39.48 Favored Glycine 0 N--CA 1.426 -1.976 0 N-CA-C 111.384 -0.686 . . . . 61.32 111.384 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 56.3 p -82.62 -37.37 25.07 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.199 0.999 . . . . 63.45 109.757 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.637 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -165.54 152.29 10.1 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 103.863 -2.643 . . . . 52.04 103.863 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.18 -54.61 31.53 Favored Glycine 0 C--N 1.294 -1.799 0 N-CA-C 111.391 -0.683 . . . . 34.43 111.391 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.619 HD11 HD13 ' A' ' 676' ' ' ILE . 7.3 mp -115.01 -33.52 5.38 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 108.752 -0.833 . . . . 73.33 108.752 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 88.0 46.4 4.79 Favored Glycine 1 N--CA 1.395 -4.09 0 N-CA-C 109.269 -1.533 . . . . 43.23 109.269 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.41 151.71 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.973 0 N-CA-C 106.531 -1.655 . . . . 73.45 106.531 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 22.9 m -114.79 133.83 55.61 Favored 'General case' 0 N--CA 1.397 -3.091 0 N-CA-C 107.174 -1.417 . . . . 71.21 107.174 171.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.5 m -124.88 159.86 30.88 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.669 0 CA-C-N 115.887 -0.597 . . . . 75.44 111.247 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.496 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 21.4 pttp -148.61 152.79 37.37 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.597 -0.728 . . . . 74.31 109.53 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.0 128.45 8.41 Favored Glycine 0 C--N 1.284 -2.325 0 C-N-CA 119.248 -1.454 . . . . 44.23 113.369 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.04 139.4 39.78 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.632 -0.877 . . . . 75.44 108.632 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.486 ' HB3' ' OD1' ' A' ' 655' ' ' ASN . 18.2 ptt-85 -135.41 162.25 33.15 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 109.614 -0.513 . . . . 73.34 109.614 175.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--N 1.27 -2.887 0 N-CA-C 108.834 -0.802 . . . . 72.05 108.834 172.519 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.071 0 N-CA-C 106.147 -1.797 . . . . 75.2 106.147 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.19 149.55 23.81 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 108.243 -1.021 . . . . 72.22 108.243 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.06 -1.15 37.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.483 -0.932 . . . . 74.21 108.483 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 95.34 -172.99 30.92 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.249 -1.341 . . . . 63.45 113.11 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.49 135.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.391 -0.966 . . . . 75.24 108.391 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -126.22 145.51 50.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.9 -0.408 . . . . 72.24 109.9 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 605' ' ' VAL . 58.9 t -67.81 133.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 109.763 -0.458 . . . . 74.23 109.763 173.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -42.58 4.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.05 0.452 . . . . 61.55 111.422 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 17.7 p -149.71 139.95 22.21 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.069 -0.514 . . . . 42.3 111.486 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.1 130.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.985 -0.746 . . . . 62.41 108.985 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.96 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 107.861 -1.163 . . . . 72.31 107.861 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -65.72 118.75 10.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.517 -0.765 . . . . 74.12 111.37 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.46 -15.1 22.55 Favored Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.175 -1.012 . . . . 70.4 112.213 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -69.31 165.39 49.53 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 111.227 -0.749 . . . . 61.33 111.227 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.62 89.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 122.557 -0.378 . . . . 73.02 111.334 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.89 -25.94 63.01 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.332 0.587 . . . . 74.23 109.819 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 45.8 t -71.53 -49.08 44.34 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 115.002 -0.999 . . . . 24.14 109.616 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -75.0 -52.88 10.0 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.247 0.462 . . . . 75.0 112.247 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.35 -52.38 7.75 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.552 0.575 . . . . 74.12 112.552 -176.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.74 41.71 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 120.56 -0.829 . . . . 63.14 113.383 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 58.13 36.67 26.07 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.142 0.496 . . . . 72.05 111.844 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 5.0 mp -64.09 175.74 1.17 Allowed 'General case' 0 C--O 1.256 1.446 0 CA-C-O 121.926 0.869 . . . . 64.22 111.994 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.546 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 15.9 ptt180 -115.97 169.31 9.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.013 -0.994 . . . . 71.12 109.615 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.43 146.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 106.527 -1.657 . . . . 72.44 106.527 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 84.09 -0.86 1.02 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 113.848 1.055 . . . . 71.24 113.848 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.546 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 12.7 m-20 -63.3 128.21 34.82 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 118.747 -1.181 . . . . 62.42 109.978 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.59 115.36 26.05 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.772 -0.825 . . . . 75.14 108.772 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.1 mp -72.98 117.24 14.47 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.709 0.804 . . . . 74.34 112.145 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.3 mm -97.73 -56.08 5.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.05 -0.977 . . . . 72.32 110.953 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.68 154.17 48.59 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.265 -0.88 . . . . 75.42 110.237 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.56 HG12 HD11 ' A' ' 650' ' ' LEU . 8.0 p -139.05 139.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.628 0 N-CA-C 109.007 -0.738 . . . . 74.31 109.007 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.42 ' OD1' HG22 ' A' ' 645' ' ' VAL . 17.5 m120 57.56 18.95 4.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.13 0.972 . . . . 71.24 112.407 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.05 6.91 62.89 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.738 -0.744 . . . . 42.32 112.765 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -118.85 133.25 55.96 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.795 -0.446 . . . . 72.52 109.795 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 59.6 m -88.95 137.02 32.69 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.907 0.706 . . . . 73.12 112.907 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.56 HD11 HG12 ' A' ' 645' ' ' VAL . 6.5 mp -109.28 -13.14 14.69 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 115.396 -0.82 . . . . 72.41 110.732 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.74 99.89 0.05 OUTLIER 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.044 0.84 . . . . 73.32 110.672 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 143.21 -25.57 2.19 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 115.4 -0.818 . . . . 50.31 111.606 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 18.1 ptpt -97.18 157.84 15.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.625 -0.43 . . . . 74.12 110.168 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.78 168.05 3.28 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.513 0.56 . . . . 74.21 112.513 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.486 ' OD1' ' HB3' ' A' ' 609' ' ' ARG . 13.3 m120 -60.49 -47.2 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.994 0.518 . . . . 60.05 111.608 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.8 -33.35 70.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.322 -0.399 . . . . 73.21 110.607 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.26 -40.57 97.78 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 109.394 -0.595 . . . . 74.13 109.394 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -60.5 -44.56 95.85 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.082 -0.963 . . . . 62.11 110.203 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.1 mtt -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.595 -0.275 . . . . 74.25 111.363 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.14 -33.62 75.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.322 0.649 . . . . 72.24 109.903 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 42.6 m -74.97 -51.09 14.55 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.549 -0.75 . . . . 63.21 109.703 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.637 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.0 mt -50.96 -55.7 15.98 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.581 0.752 . . . . 73.03 111.951 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -55.15 -37.78 67.4 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.282 0.563 . . . . 74.21 110.755 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -76.16 -46.84 26.59 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.255 -0.884 . . . . 74.35 111.338 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 49.9 m -60.85 -35.98 77.96 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 120.706 0.289 . . . . 72.1 111.073 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.405 0.621 . . . . 75.03 110.575 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 30.4 t -87.39 -48.9 7.6 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.476 -0.783 . . . . 54.34 110.758 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.1 m -73.61 -46.92 44.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.425 -0.352 . . . . 74.22 111.589 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.71 -45.86 7.84 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 112.079 0.4 . . . . 71.43 112.079 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -54.99 -61.86 6.91 Favored Glycine 0 C--O 1.249 1.05 0 O-C-N 123.545 0.528 . . . . 71.4 112.758 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.84 78.58 9.86 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.654 -0.818 . . . . 74.33 109.04 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 55.8 tptt 175.62 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.586 1.554 . . . . 75.3 107.885 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -95.62 -2.56 47.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.497 -0.774 . . . . 61.42 112.484 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.12 -37.23 3.12 Favored Glycine 0 C--N 1.316 -0.576 0 C-N-CA 121.071 -0.585 . . . . 65.33 113.12 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -137.72 156.26 48.19 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.974 0.416 . . . . 64.42 110.759 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.619 HD13 HD11 ' A' ' 601' ' ' LEU . 9.3 tt -111.14 133.77 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.154 0 CA-C-N 115.055 -0.975 . . . . 55.01 109.299 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -102.8 128.38 49.58 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.856 -0.611 . . . . 74.43 110.471 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.491 HD13 HG23 ' A' ' 645' ' ' VAL . 1.6 mm? -116.95 128.42 55.18 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.407 -0.59 . . . . 70.54 109.407 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 95.8 mt -114.98 118.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 N-CA-C 107.984 -1.117 . . . . 62.13 107.984 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.93 161.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 CA-C-N 115.3 -0.864 . . . . 65.33 109.951 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -109.22 125.79 52.62 Favored 'General case' 0 N--CA 1.41 -2.448 0 N-CA-C 107.984 -1.117 . . . . 75.14 107.984 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 . . . . . 0 N--CA 1.403 -2.817 0 CA-C-N 114.093 -1.412 . . . . 72.42 109.299 -175.491 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.464 0.173 . . . . 75.12 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 34.4 mt-10 -115.98 131.35 56.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.095 0.558 . . . . 73.32 110.572 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 55.0 tp -127.17 128.33 45.96 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.452 0.701 . . . . 71.21 110.47 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.01 126.71 48.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.045 -1.094 . . . . 73.25 108.045 173.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.608 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 17.8 pt . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 117.597 -1.192 . . . . 74.43 111.391 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.432 -1.361 0 N-CA-C 108.978 -0.749 . . . . 50.25 108.978 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.83 129.79 51.33 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.921 -0.582 . . . . 74.11 111.073 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 91.5 mt -118.69 131.9 56.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.673 -0.694 . . . . 72.32 110.767 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 48.8 m -107.13 122.19 46.0 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-N 114.749 -1.114 . . . . 62.45 109.221 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.31 133.7 55.67 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.54 -0.755 . . . . 75.11 109.267 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.51 127.83 55.35 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 108.712 -0.847 . . . . 73.22 108.712 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.451 ' HB ' HG23 ' A' ' 676' ' ' ILE . 66.5 t -119.61 115.73 33.65 Favored Pre-proline 0 C--N 1.281 -2.388 0 N-CA-C 107.72 -1.215 . . . . 71.12 107.72 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 57.8 Cg_endo -76.38 144.44 25.89 Favored 'Trans proline' 0 N--CA 1.422 -2.693 0 N-CA-C 108.713 -1.303 . . . . 70.52 108.713 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 87.6 mt -79.92 83.18 5.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.964 0.888 . . . . 75.15 108.765 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -66.96 -75.05 0.1 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.707 -1.588 . . . . 72.22 109.216 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.56 -73.36 0.64 Allowed 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 106.755 -1.572 . . . . 72.2 106.755 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.639 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.3 m 63.46 6.31 2.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.54 1.311 . . . . 73.24 114.54 170.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -78.19 -44.32 11.77 Favored Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 119.694 -1.241 . . . . 40.13 111.873 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -79.95 -37.67 33.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.73 0.776 . . . . 74.31 110.322 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.639 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -145.74 127.0 14.82 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.251 -1.759 . . . . 42.23 106.251 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.92 -54.3 38.04 Favored Glycine 0 CA--C 1.486 -1.778 0 O-C-N 124.214 0.946 . . . . 60.35 111.616 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 676' ' ' ILE . 11.5 mt -108.93 -27.2 9.82 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.261 -1.015 . . . . 62.51 108.261 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 79.89 48.32 6.64 Favored Glycine 0 N--CA 1.399 -3.819 0 N-CA-C 109.289 -1.524 . . . . 73.22 109.289 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.85 152.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.281 0 N-CA-C 106.403 -1.703 . . . . 74.22 106.403 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 m -113.09 137.28 51.67 Favored 'General case' 0 N--CA 1.395 -3.185 0 N-CA-C 107.048 -1.464 . . . . 63.41 107.048 172.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.2 m -123.8 162.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 CA-C-O 121.278 0.561 . . . . 72.31 111.318 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.52 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 0.1 OUTLIER -139.95 152.73 46.57 Favored 'General case' 0 C--N 1.278 -2.517 0 N-CA-C 107.339 -1.356 . . . . 71.13 107.339 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.36 117.98 5.05 Favored Glycine 0 C--N 1.269 -3.16 0 C-N-CA 119.484 -1.341 . . . . 65.35 110.075 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.556 ' ND2' HD12 ' A' ' 617' ' ' LEU . 53.2 t30 -94.76 131.94 40.06 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.75 -0.833 . . . . 74.41 108.75 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 39.3 ttp180 -134.83 125.66 27.29 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.16 -0.927 . . . . 74.54 109.054 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--N 1.287 -2.124 0 N-CA-C 109.122 -0.696 . . . . 72.24 109.122 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 109.173 -0.677 . . . . 64.22 109.173 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.4 p-10 -87.04 150.76 23.81 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.998 -1.112 . . . . 75.25 107.998 177.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.556 HD12 ' ND2' ' A' ' 608' ' ' ASN . 75.6 mt -101.14 -5.18 25.99 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.265 0.555 . . . . 61.01 109.524 178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.44 -172.47 21.25 Favored Glycine 0 C--N 1.308 -1.001 0 CA-C-N 115.371 -0.831 . . . . 63.31 112.683 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -96.43 134.78 32.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 N-CA-C 108.783 -0.821 . . . . 71.33 108.783 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 84.5 m-85 -129.63 147.9 51.47 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.744 -0.465 . . . . 71.14 109.744 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.463 ' HA ' HG12 ' A' ' 605' ' ' VAL . 87.1 t -66.98 126.78 27.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-O 121.295 0.569 . . . . 74.54 110.092 172.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 623' ' ' SER . 18.7 ptmt -97.94 -44.5 6.65 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 116.323 -0.399 . . . . 75.32 110.915 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 622' ' ' LYS . 37.8 t -150.04 146.31 26.9 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 109.025 -0.731 . . . . 62.21 109.025 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.82 132.03 46.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 109.249 -0.649 . . . . 62.21 109.249 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 75.6 mt -87.54 120.91 37.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-O 121.051 0.453 . . . . 74.22 110.033 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -67.03 117.98 9.83 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.342 -0.845 . . . . 71.45 108.855 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.03 5.26 38.29 Favored Glycine 0 N--CA 1.434 -1.479 0 C-N-CA 120.768 -0.73 . . . . 74.45 111.7 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.83 22.94 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.619 -0.8 . . . . 54.1 111.328 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.24 88.49 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 117.399 0.599 . . . . 72.44 110.918 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -65.46 -25.81 67.67 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.334 -0.394 . . . . 71.13 111.221 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 93.0 p -74.98 -48.42 24.37 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 70.41 110.473 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -76.94 -50.81 12.4 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.068 0.461 . . . . 71.22 112.111 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.96 -50.9 11.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.492 0.553 . . . . 73.34 112.492 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.41 -43.77 8.36 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.62 -1.276 . . . . 51.33 113.559 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 61.91 76.72 0.36 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.857 0.837 . . . . 45.4 112.082 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.14 -170.77 2.17 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.713 -1.131 . . . . 65.54 109.695 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.623 ' NH2' ' HA ' ' A' ' 682' ' ' ARG . 23.0 ptt85 -136.26 171.3 14.68 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.221 0.534 . . . . 74.32 110.125 -176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -79.67 139.37 18.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 172.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 77.2 11.99 2.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 124.924 1.289 . . . . 72.2 112.898 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 2.7 p30 -74.81 141.34 44.32 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 117.097 -1.841 . . . . 55.14 109.645 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 119.2 32.42 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.546 -0.909 . . . . 71.5 108.546 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.435 ' HA ' HG12 ' A' ' 680' ' ' VAL . 6.6 mp -72.84 109.61 6.55 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.7 0.8 . . . . 63.41 111.058 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 651' ' ' LEU . 48.6 mm -87.46 -55.03 6.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.721 -1.127 . . . . 75.12 110.534 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -144.01 157.12 44.53 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.263 -0.88 . . . . 74.54 110.575 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 678' ' ' LEU . 15.0 p -138.07 132.6 43.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.884 -0.784 . . . . 74.04 108.884 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 52.42 23.98 2.75 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.705 1.002 . . . . 62.52 113.705 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.28 59.36 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.743 -0.662 . . . . 65.13 113.478 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.18 131.64 35.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.234 -0.568 . . . . 74.55 110.015 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 19.6 p -93.51 152.24 19.19 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 122.969 0.508 . . . . 65.53 112.086 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.417 HD23 ' HB1' ' A' ' 658' ' ' ALA . 4.1 mp -121.41 18.69 11.37 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.066 -178.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 643' ' ' ILE . 2.0 mm? -79.27 103.05 8.93 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 120.555 -0.458 . . . . 72.44 110.008 -176.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 134.65 -30.23 2.89 Favored Glycine 0 C--N 1.3 -1.447 0 C-N-CA 120.424 -0.893 . . . . 54.24 112.347 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -87.02 155.58 20.1 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.878 -0.329 . . . . 62.41 110.619 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.87 169.43 13.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.99 0.367 . . . . 61.33 111.99 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -57.08 -46.74 82.3 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.234 0.614 . . . . 73.32 111.341 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -68.08 -31.57 71.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.098 -0.501 . . . . 53.22 111.359 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.02 -38.81 63.94 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.653 -0.869 . . . . 71.21 108.653 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.417 ' HB1' HD23 ' A' ' 650' ' ' LEU . . . -59.57 -42.16 91.82 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.468 -1.242 . . . . 54.22 110.622 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 58.5 mtt -66.02 -37.39 85.76 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.882 0.697 . . . . 73.14 112.882 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.55 -38.1 89.85 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.675 -0.861 . . . . 74.02 108.675 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 84.0 m -62.63 -51.14 68.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.543 -0.753 . . . . 52.11 110.136 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.6 mt -56.44 -55.58 31.83 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.898 -0.592 . . . . 52.04 111.475 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.45 -41.87 86.13 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.96 0.41 . . . . 75.42 111.076 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.82 -46.0 87.07 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.864 -0.607 . . . . 61.41 110.28 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 52.1 m -68.28 -32.68 73.02 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 121.277 -0.169 . . . . 54.03 111.173 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 86.8 mtp -72.16 -42.05 66.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.389 -0.524 . . . . 60.23 110.274 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.4 t -73.83 -55.88 5.65 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.917 -0.583 . . . . 62.54 109.944 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.8 m -70.35 -52.43 22.65 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 112.513 0.56 . . . . 73.23 112.513 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . 0.566 ' HG3' ' HD3' ' A' ' 672' ' ' LYS . 18.3 tt0 -95.99 -17.14 21.22 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 113.681 0.993 . . . . 70.31 113.681 -173.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.59 96.7 Favored Glycine 0 C--N 1.312 -0.793 0 C-N-CA 120.06 -1.067 . . . . 63.31 110.448 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -82.12 5.68 18.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.151 0.5 . . . . 71.43 111.128 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . 0.566 ' HD3' ' HG3' ' A' ' 669' ' ' GLU . 85.5 tttt -85.78 -51.69 6.26 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.236 -0.654 . . . . 64.51 109.236 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -92.83 -23.86 18.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.059 -0.519 . . . . 74.51 111.197 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.75 74.65 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 109.567 -1.413 . . . . 60.13 109.567 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.482 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 25.5 ptt? -148.19 169.56 19.79 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 106.829 -1.545 . . . . 65.4 106.829 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 601' ' ' LEU . 6.8 tt -133.98 144.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.994 0 O-C-N 123.888 0.742 . . . . 74.24 110.573 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -105.06 137.39 42.88 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.886 -0.597 . . . . 63.23 109.794 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 645' ' ' VAL . 1.8 mm? -127.56 135.4 50.26 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.244 -0.65 . . . . 63.53 109.244 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 92.2 mt -120.37 115.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 107.713 -1.217 . . . . 63.23 107.713 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 642' ' ' LEU . 34.5 m -123.89 156.53 30.92 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.725 0 CA-C-N 115.33 -0.85 . . . . 70.04 109.784 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.22 143.21 42.34 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.448 0.642 . . . . 53.11 110.427 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.623 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 4.3 ptp180 . . . . . 0 C--N 1.292 -1.929 0 N-CA-C 109.299 -0.63 . . . . 75.55 109.299 176.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.429 -1.486 0 CA-C-O 121.076 0.465 . . . . 73.51 111.134 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.52 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 87.3 mt-10 -133.95 132.88 40.71 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.991 -1.004 . . . . 64.53 110.096 175.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.81 131.58 49.55 Favored 'General case' 0 N--CA 1.398 -3.033 0 CA-C-N 114.722 -1.127 . . . . 72.44 110.13 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.26 120.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 107.947 -1.131 . . . . 73.25 107.947 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.507 HD12 HD12 ' A' ' 601' ' ' LEU . 11.1 pt . . . . . 0 N--CA 1.415 -2.219 0 CA-C-O 117.629 -1.177 . . . . 74.25 111.019 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.238 0.491 0 N-CA-C 109.921 -0.4 . . . . 72.34 109.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.12 123.06 47.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 O-C-N 123.578 0.549 . . . . 73.21 112.286 -173.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.11 139.36 49.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.086 -0.709 . . . . 74.4 109.086 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 94.1 m -108.28 122.18 46.43 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.468 -0.567 . . . . 45.31 109.468 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.83 135.05 54.38 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 109.027 -0.731 . . . . 72.34 109.027 175.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -115.24 116.4 28.27 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.655 -0.869 . . . . 75.24 108.655 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 73.1 t -116.3 119.85 35.83 Favored Pre-proline 0 C--N 1.276 -2.591 0 CA-C-N 114.065 -1.425 . . . . 71.41 111.113 -170.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 58.1 Cg_endo -71.36 148.13 54.25 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 121.198 1.265 . . . . 73.01 109.673 174.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.46 19.43 1.26 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.76 -0.588 . . . . 63.32 110.716 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 592' ' ' PRO . 8.3 t30 -60.99 -69.82 0.21 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.433 -1.258 . . . . 71.24 112.429 -176.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.43 -23.85 61.13 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.837 0.351 . . . . 74.31 111.052 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 599' ' ' ALA . 18.0 m -58.63 -65.51 0.65 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.352 -0.84 . . . . 71.12 109.695 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 65.13 -74.51 0.08 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 123.436 0.46 . . . . 65.22 113.484 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.2 m -92.13 -13.31 30.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-O 121.144 0.497 . . . . 64.33 110.286 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 596' ' ' SER . . . -116.16 175.68 5.44 Favored 'General case' 0 N--CA 1.394 -3.264 0 N-CA-C 107.012 -1.477 . . . . 75.03 107.012 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -97.32 -52.63 1.43 Allowed Glycine 0 C--N 1.26 -3.649 0 N-CA-C 109.607 -1.397 . . . . 40.32 109.607 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.629 HD23 ' HB ' ' B' ' 784' ' ' ILE . 2.5 mm? -110.4 -40.46 4.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.782 -1.192 . . . . 72.24 107.782 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.592 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.87 53.17 2.44 Favored Glycine 0 N--CA 1.398 -3.894 0 N-CA-C 107.125 -2.39 . . . . 71.54 107.125 -175.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.8 t -140.99 153.03 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 106.97 -1.493 . . . . 45.14 106.97 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 622' ' ' LYS . 32.5 m -108.83 134.24 51.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 106.879 -1.526 . . . . 72.04 106.879 172.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 621' ' ' VAL . 6.1 m -124.61 165.86 20.94 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.885 0 CA-C-O 121.313 0.578 . . . . 74.35 111.74 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.632 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 65.2 pttt -149.54 153.12 36.67 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 114.661 -1.154 . . . . 51.22 109.075 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.25 130.12 10.09 Favored Glycine 0 C--N 1.273 -2.932 0 C-N-CA 119.153 -1.499 . . . . 55.22 110.842 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.582 ' ND2' HD12 ' A' ' 617' ' ' LEU . 54.5 t30 -103.29 129.45 50.29 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.625 -0.879 . . . . 64.33 108.625 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.443 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 14.2 ttm180 -128.67 129.79 46.32 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 108.775 -0.824 . . . . 73.22 108.775 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.406 -2.629 0 N-CA-C 106.484 -1.673 . . . . 44.25 106.484 172.812 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 109.692 -0.484 . . . . 53.12 109.692 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.5 m-20 -80.65 152.49 28.44 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.005 -1.109 . . . . 71.3 108.005 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . 0.582 HD12 ' ND2' ' A' ' 608' ' ' ASN . 58.3 mt -100.04 -5.17 28.48 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.698 0.761 . . . . 75.45 109.373 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.1 -176.16 24.42 Favored Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 115.008 -0.996 . . . . 72.03 111.916 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.426 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.1 mm -91.97 132.55 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.945 -1.131 . . . . 72.0 107.945 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.1 m-85 -122.76 149.94 43.45 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 120.746 0.308 . . . . 74.1 110.58 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.567 ' HA ' HG12 ' A' ' 605' ' ' VAL . 94.2 t -65.13 119.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 CA-C-O 122.322 1.058 . . . . 75.45 110.351 173.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 604' ' ' SER . 70.9 tttt -83.32 -60.17 2.23 Favored 'General case' 0 C--N 1.26 -3.318 0 CA-C-N 113.74 -1.573 . . . . 74.12 109.847 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 24.0 t -151.7 155.39 38.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.407 -0.96 . . . . 74.24 108.407 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -98.59 135.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 117.688 0.222 . . . . 70.13 110.549 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.592 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.1 mt -91.34 117.15 34.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.76 -0.83 . . . . 65.51 108.76 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -74.42 122.75 23.48 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.772 -0.649 . . . . 70.1 110.324 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.94 14.56 Favored Glycine 0 C--N 1.297 -1.589 0 N-CA-C 110.116 -1.194 . . . . 50.34 110.116 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -71.72 145.82 39.17 Favored Glycine 0 N--CA 1.438 -1.231 0 N-CA-C 111.247 -0.741 . . . . 74.23 111.247 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.01 69.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.707 0.289 . . . . 64.11 111.452 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.401 ' HA ' ' CG2' ' A' ' 591' ' ' VAL . . . -65.0 -27.74 69.04 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-O 121.105 0.479 . . . . 72.23 110.764 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 33.2 t -77.71 -43.03 32.36 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.467 -0.788 . . . . 74.15 109.764 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.73 -52.86 10.43 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.401 -0.52 . . . . 64.25 111.824 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.34 -52.56 7.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.043 0.449 . . . . 72.25 111.85 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -79.08 -43.75 10.49 Favored Glycine 0 CA--C 1.496 -1.124 0 C-N-CA 120.156 -1.021 . . . . 71.02 114.002 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 67.56 89.29 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.764 0.792 . . . . 72.31 109.816 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.9 177.13 5.05 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.276 -0.875 . . . . 74.25 110.736 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.421 HH21 ' NE ' ' A' ' 682' ' ' ARG . 0.0 OUTLIER -140.65 155.86 46.4 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.212 -0.449 . . . . 55.44 111.942 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 91.4 t -70.08 137.87 23.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.55 -0.75 . . . . 74.41 110.18 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 75.31 16.58 2.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.022 1.329 . . . . 51.01 110.59 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 58.9 t0 -77.5 137.03 38.41 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.661 -1.237 . . . . 73.21 107.661 175.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 114.32 27.13 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 118.301 0.5 . . . . 63.32 110.92 -172.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.43 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.6 mp -74.51 120.67 20.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.299 1.04 . . . . 61.24 111.63 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.2 mm -100.95 -53.3 7.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.849 -0.614 . . . . 65.55 112.05 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -137.75 156.11 48.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.649 -0.705 . . . . 64.43 111.571 -174.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.412 HG23 HD11 ' A' ' 676' ' ' ILE . 7.4 p -136.4 123.82 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.262 -0.881 . . . . 53.44 110.728 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.583 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.8 m-20 51.72 29.29 5.6 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.754 1.39 . . . . 63.33 114.754 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.28 62.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.641 -0.79 . . . . 71.45 112.722 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -93.06 125.13 37.5 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.371 -0.974 . . . . 73.11 108.371 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -98.43 129.71 45.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.342 -0.614 . . . . 72.52 109.342 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.8 pt? -125.72 10.66 7.78 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.291 0.849 . . . . 75.23 113.291 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 62.6 tp -77.76 84.12 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.342 -0.943 . . . . 64.42 110.197 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 169.17 36.46 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.013 -0.994 . . . . 54.24 110.739 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -159.12 167.02 30.23 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.847 -0.798 . . . . 74.34 108.847 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.437 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -64.46 157.01 27.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.667 0.604 . . . . 74.53 111.645 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.443 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 14.0 m120 -50.81 -47.33 59.97 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.458 0.703 . . . . 64.31 112.416 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.65 -37.59 86.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.371 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.56 -38.76 81.04 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.782 0.801 . . . . 72.24 109.343 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.75 76.32 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.505 -1.225 . . . . 75.13 109.93 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.15 -37.5 83.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.153 0.427 . . . . 62.3 112.153 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.82 -37.9 83.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.361 0.601 . . . . 54.14 109.958 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 57.9 m -76.77 -48.25 19.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.547 -0.751 . . . . 71.41 109.485 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.676 ' O ' ' HG3' ' A' ' 666' ' ' MET . 64.8 tp -56.23 -56.09 25.3 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.666 1.187 . . . . 73.31 112.754 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -58.98 -35.96 74.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.395 0.617 . . . . 74.44 110.442 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.75 -48.01 56.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.579 -0.737 . . . . 54.31 110.941 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 73.0 m -67.63 -27.32 66.78 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 111.696 0.258 . . . . 71.44 111.696 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 89.3 mtp -64.67 -41.87 95.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.045 0.45 . . . . 75.3 110.193 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 25.4 t -88.03 -49.75 6.84 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.668 -0.696 . . . . 60.05 110.866 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 62.0 m -73.42 -46.44 48.57 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.085 0.469 . . . . 64.01 111.113 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 672' ' ' LYS . 42.5 mt-10 -93.15 -1.57 56.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.159 0.429 . . . . 71.1 112.159 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -82.93 -42.75 7.98 Favored Glycine 0 CA--C 1.497 -1.083 0 N-CA-C 110.044 -1.222 . . . . 70.22 110.044 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.52 -18.49 65.36 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.819 0.848 . . . . 73.42 112.342 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 63.5 pttt -72.9 -26.41 61.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.209 0.528 . . . . 73.11 110.936 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -110.72 -48.3 3.15 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.613 0.72 . . . . 73.43 110.576 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 110.24 -9.88 31.18 Favored Glycine 0 C--N 1.305 -1.155 0 N-CA-C 108.376 -1.89 . . . . 72.32 108.376 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.519 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.8 ptp -135.43 150.61 49.91 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 113.736 -1.232 . . . . 71.3 108.936 177.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.583 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 4.7 tt -110.97 132.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.653 0 CA-C-N 115.04 -0.982 . . . . 74.22 110.962 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.67 126.51 45.71 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 114.332 -1.304 . . . . 60.51 109.122 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 678' ' ' LEU . 1.0 OUTLIER -131.12 128.32 39.89 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-O 121.08 0.466 . . . . 74.02 111.6 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.2 mp -103.37 124.11 57.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.051 -1.463 . . . . 70.32 107.051 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.37 152.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 N-CA-C 109.06 -0.718 . . . . 72.45 109.06 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -119.83 125.79 49.41 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 116.026 -0.534 . . . . 74.44 111.441 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.421 ' NE ' HH21 ' A' ' 637' ' ' ARG . 1.2 ptp180 . . . . . 0 C--N 1.301 -1.516 0 N-CA-C 107.504 -1.295 . . . . 61.13 107.504 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . 0.402 ' OE2' ' HB2' ' A' ' 655' ' ' ASN . 44.2 mt-10 . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 121.953 0.882 . . . . 71.32 112.009 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.632 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 77.0 mt-10 -107.62 135.17 49.51 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.238 -1.347 . . . . 72.4 109.851 168.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 50.7 tp -137.47 134.46 35.8 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 116.012 -0.54 . . . . 54.25 111.082 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.9 123.63 48.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.854 -0.795 . . . . 55.55 108.854 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.629 ' HB ' HD23 ' A' ' 601' ' ' LEU . 16.4 pt . . . . . 0 N--CA 1.424 -1.729 0 CA-C-O 118.137 -0.935 . . . . 71.23 110.944 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 110.221 -0.288 . . . . 74.41 110.221 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' ' 643' ' ' ILE . 4.6 m-30 -95.3 136.18 35.98 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.455 -0.793 . . . . 74.33 111.43 -174.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.82 154.22 31.1 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.83 -1.174 . . . . 72.43 107.83 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 31.7 m -116.07 122.47 45.24 Favored 'General case' 0 C--N 1.287 -2.13 0 C-N-CA 120.117 -0.633 . . . . 73.44 110.33 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . 0.535 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 51.5 m-85 -123.84 119.33 29.36 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 109.576 -0.528 . . . . 71.42 109.576 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.48 ' HG2' ' HG3' ' A' ' 677' ' ' GLN . 44.9 mt-10 -106.77 130.82 54.42 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.994 -0.743 . . . . 74.52 108.994 176.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 630' ' ' ALA . 94.8 t -120.08 117.6 32.0 Favored Pre-proline 0 C--N 1.281 -2.403 0 CA-C-N 115.631 -0.713 . . . . 72.14 110.279 -172.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 73.0 Cg_endo -73.98 148.44 40.29 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.721 1.614 . . . . 63.44 111.409 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 65.77 2.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.854 0.835 . . . . 45.13 110.402 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 5.3 m-20 -102.19 -71.92 0.7 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.475 -1.239 . . . . 64.41 110.161 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.06 50.99 1.84 Allowed 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.74 0.781 . . . . 75.32 109.464 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 14.1 m -115.97 112.13 21.38 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-N 114.614 -1.175 . . . . 74.44 108.716 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -177.03 -50.44 0.06 OUTLIER Glycine 0 N--CA 1.419 -2.491 0 N-CA-C 110.092 -1.203 . . . . 41.41 110.092 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.9 m -86.67 -22.74 25.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.986 0.898 . . . . 55.41 108.765 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -156.15 162.43 40.22 Favored 'General case' 0 N--CA 1.402 -2.862 0 N-CA-C 104.9 -2.259 . . . . 71.51 104.9 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -84.2 -58.02 2.27 Favored Glycine 0 C--N 1.28 -2.581 0 N-CA-C 110.781 -0.928 . . . . 74.54 110.781 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 676' ' ' ILE . 6.3 mp -102.28 -28.28 12.36 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.259 -1.015 . . . . 71.42 108.259 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 81.05 51.2 4.83 Favored Glycine 0 N--CA 1.404 -3.436 0 N-CA-C 109.329 -1.508 . . . . 55.23 109.329 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 621' ' ' VAL . 46.6 t -134.66 150.98 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 N-CA-C 107.278 -1.379 . . . . 71.51 107.278 177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 26.1 m -110.23 132.19 54.39 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 106.392 -1.707 . . . . 61.12 106.392 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 642' ' ' LEU . 4.1 m -124.25 159.06 30.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.417 0 CA-C-O 121.402 0.62 . . . . 71.0 111.724 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.493 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 64.3 pttt -149.13 153.01 37.1 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 115.114 -0.948 . . . . 71.43 109.925 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -110.89 134.67 12.33 Favored Glycine 0 C--N 1.265 -3.409 0 C-N-CA 119.981 -1.104 . . . . 13.23 110.756 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -103.5 127.16 50.95 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.847 -1.168 . . . . 71.23 107.847 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -124.12 128.91 49.97 Favored 'General case' 0 C--N 1.27 -2.876 0 N-CA-C 109.819 -0.437 . . . . 70.53 109.819 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 C--N 1.29 -2.007 0 N-CA-C 108.273 -1.01 . . . . 45.11 108.273 175.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.641 0 CA-C-O 121.037 0.446 . . . . 55.24 110.381 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.75 146.54 29.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.194 -1.039 . . . . 73.53 108.194 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.2 -6.36 44.92 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.783 -0.821 . . . . 62.42 108.783 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 101.29 -179.6 28.35 Favored Glycine 0 N--CA 1.426 -1.97 0 CA-C-N 114.565 -1.198 . . . . 42.24 112.687 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 43.6 mm -91.34 126.8 43.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.491 -0.929 . . . . 74.34 108.491 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.0 m-85 -118.77 150.12 40.33 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 122.836 0.454 . . . . 72.53 110.679 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' A' ' 603' ' ' VAL . 93.3 t -71.77 130.87 35.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.569 -0.741 . . . . 72.02 109.997 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -88.08 -64.55 1.13 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.875 -0.787 . . . . 74.41 108.875 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 22.5 p -149.38 157.56 43.42 Favored 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 114.209 -1.36 . . . . 73.3 109.606 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.445 HD13 HG22 ' A' ' 638' ' ' VAL . 1.0 OUTLIER -94.64 134.7 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 C-N-CA 123.409 0.684 . . . . 74.32 110.4 176.111 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.68 115.16 28.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 106.739 -1.578 . . . . 72.14 106.739 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -50.91 -32.09 19.6 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.133 1.161 . . . . 64.23 114.133 -173.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -93.93 42.79 2.48 Favored Glycine 0 C--N 1.299 -1.517 0 C-N-CA 121.268 -0.492 . . . . 74.12 111.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -126.79 152.75 18.63 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.893 -0.883 . . . . 50.3 110.893 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 112.478 0.547 . . . . 74.43 112.478 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' A' ' 591' ' ' VAL . . . -72.92 -26.75 61.51 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-O 121.976 0.893 . . . . 72.41 109.443 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.3 m -76.28 -52.27 10.32 Favored 'General case' 0 C--N 1.275 -2.666 0 CA-C-N 113.721 -1.581 . . . . 73.42 109.685 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.51 -51.63 14.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.629 0.603 . . . . 65.22 112.629 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.81 -51.44 9.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.041 0.448 . . . . 74.31 111.832 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -78.85 -32.05 41.89 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.179 -0.918 . . . . 75.24 115.194 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.18 35.13 18.59 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.399 -1.334 . . . . 75.35 107.399 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 3.0 tt -56.37 129.54 40.95 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.826 0.822 . . . . 75.23 111.142 -171.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.792 ' HD3' ' OD2' ' A' ' 640' ' ' ASP . 7.1 ptm180 -54.63 -26.2 31.43 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 118.419 2.748 . . . . 72.01 118.419 -167.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 70.0 t 75.65 145.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 118.504 0.593 . . . . 71.51 112.159 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.59 26.28 15.98 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.691 1.596 . . . . 73.44 109.656 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.902 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 13.0 t70 -96.04 157.57 15.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 CA-C-N 114.648 -1.16 . . . . 63.04 108.416 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.94 117.83 35.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.835 -0.802 . . . . 61.43 108.835 -176.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.416 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.2 mp -72.39 109.91 6.43 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.518 0.727 . . . . 72.43 111.082 -176.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.588 HG23 HD21 ' A' ' 651' ' ' LEU . 47.5 mm -86.93 -64.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.372 -0.831 . . . . 74.23 111.659 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.574 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -123.4 142.53 50.88 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.613 0.598 . . . . 61.34 112.613 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.95 119.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.494 -0.775 . . . . 53.34 109.22 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 677' ' ' GLN . 86.6 m-20 53.07 24.57 3.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.809 0.814 . . . . 73.5 112.362 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 116.7 -33.91 4.88 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-N 114.888 -1.051 . . . . 55.43 113.99 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 644' ' ' ALA . 11.9 pt-20 -90.55 131.59 36.19 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 115.003 1.483 . . . . 63.44 115.003 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.1 m -81.25 137.82 35.81 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.438 -1.256 . . . . 63.12 110.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.495 HD13 ' HB1' ' A' ' 658' ' ' ALA . 83.5 mt -100.39 17.13 22.31 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.0 0.52 . . . . 71.31 111.364 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 643' ' ' ILE . 2.9 mm? -84.05 -1.57 55.07 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.677 0.621 . . . . 74.22 112.677 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -105.99 16.68 42.57 Favored Glycine 0 C--N 1.308 -0.988 0 C-N-CA 120.755 -0.736 . . . . 70.44 111.61 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 657' ' ' GLU . 6.1 ptpp? -150.76 159.1 44.75 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 122.815 0.446 . . . . 53.42 109.797 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.06 170.65 15.02 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.197 0.311 . . . . 74.14 111.025 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -52.35 -47.51 66.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.753 0.821 . . . . 62.31 112.156 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.6 tt0 -63.52 -46.76 84.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.358 -0.383 . . . . 62.25 110.861 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 653' ' ' LYS . 33.8 mm-40 -61.14 -39.45 90.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.586 0.707 . . . . 72.13 109.269 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 650' ' ' LEU . . . -59.78 -47.77 84.36 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 114.807 -1.088 . . . . 73.41 109.839 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.2 mtt -60.13 -43.74 95.43 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 112.086 0.402 . . . . 62.31 112.086 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 43.6 mm-40 -61.41 -41.81 97.74 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.043 0.449 . . . . 61.32 110.452 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 46.3 m -70.72 -43.01 69.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.82 -0.627 . . . . 75.21 109.31 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 43.0 tp -55.18 -54.0 48.89 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.198 0.999 . . . . 73.32 111.398 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -56.72 -36.0 69.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.884 0.373 . . . . 72.52 111.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.22 -50.26 14.94 Favored 'General case' 0 C--O 1.205 -1.287 0 CA-C-N 116.331 -0.395 . . . . 73.3 110.943 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -28.43 65.79 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 113.0 0.741 . . . . 71.2 113.0 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.53 ' SD ' HG22 ' B' ' 784' ' ' ILE . 23.9 ptm -72.46 -30.08 64.25 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.047 -0.661 . . . . 70.33 110.274 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.5 -50.49 5.59 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 116.131 -0.486 . . . . 54.24 110.885 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 23.0 m -72.95 -50.02 25.83 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 120.771 0.32 . . . . 74.41 111.202 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -28.06 29.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.36 -0.382 . . . . 72.32 111.345 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 666' ' ' MET . . . -57.46 -60.2 9.44 Favored Glycine 0 CA--C 1.51 -0.269 0 CA-C-N 116.139 -0.482 . . . . 64.03 113.526 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -72.89 -15.36 61.59 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.227 0.537 . . . . 73.43 111.515 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -75.02 -45.3 42.75 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.19 -0.67 . . . . 70.4 109.19 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -71.09 -30.91 67.15 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.309 -0.86 . . . . 74.02 110.885 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 97.55 -22.78 38.98 Favored Glycine 0 C--O 1.246 0.844 0 N-CA-C 109.863 -1.295 . . . . 65.22 109.863 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.432 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 26.6 ptt? -148.05 160.93 42.35 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.336 -1.357 . . . . 65.33 107.336 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.544 HD13 HD11 ' A' ' 601' ' ' LEU . 7.7 tt -110.1 132.06 59.41 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.059 0 CA-C-O 121.523 0.678 . . . . 71.24 109.675 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . 0.48 ' HG3' ' HG2' ' A' ' 590' ' ' GLU . 63.5 tt0 -99.98 127.37 46.19 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.046 -0.979 . . . . 75.31 109.981 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.2 mm? -127.64 127.56 43.99 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.732 -0.84 . . . . 71.41 108.732 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 1.9 mp -103.23 126.89 57.52 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.777 0 N-CA-C 104.894 -2.262 . . . . 71.11 104.894 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.902 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 30.9 m -122.53 164.96 19.08 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.401 0 N-CA-C 109.089 -0.708 . . . . 72.34 109.089 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.48 130.93 28.92 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.097 0.475 . . . . 60.22 111.047 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 . . . . . 0 N--CA 1.421 -1.896 0 C-N-CA 119.702 -0.799 . . . . 71.12 110.824 179.589 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 N--CA 1.433 -1.294 0 CA-C-O 121.622 0.725 . . . . 71.41 111.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 22.4 mt-10 -130.3 145.64 51.8 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 124.304 1.042 . . . . 71.12 110.933 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.9 tp -144.41 142.05 30.07 Favored 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 123.457 0.703 . . . . 74.05 109.399 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 3.2 mp -101.71 137.42 29.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.571 -0.9 . . . . 74.23 108.571 170.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' A' ' 666' ' ' MET . 11.4 pt . . . . . 0 N--CA 1.425 -1.704 0 CA-C-O 117.709 -1.138 . . . . 63.12 111.577 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.435 -1.225 0 CA-C-O 120.953 0.406 . . . . 73.12 111.25 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 643' ' ' ILE . 7.4 m-30 -90.96 143.42 26.74 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.589 -0.732 . . . . 74.21 110.325 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.08 129.67 48.42 Favored 'General case' 0 C--N 1.275 -2.646 0 N-CA-C 107.203 -1.406 . . . . 61.32 107.203 176.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . 0.445 ' HB ' HG13 ' A' ' 679' ' ' ILE 0.253 10.3 t -116.17 124.73 51.03 Favored 'General case' 0 C--N 1.257 -3.422 0 C-N-CA 118.735 -1.186 . . . . 75.42 111.412 177.275 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -110.98 133.65 53.22 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.783 -1.099 . . . . 64.24 109.034 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . 0.407 ' HB3' ' HE2' ' A' ' 675' ' ' MET . 46.4 mt-10 -109.07 128.1 54.69 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.319 -0.623 . . . . 43.1 109.319 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.487 ' HB ' HG23 ' A' ' 676' ' ' ILE . 40.5 t -121.68 121.52 28.23 Favored Pre-proline 0 C--N 1.291 -1.951 0 CA-C-N 115.266 -0.879 . . . . 74.44 108.658 -172.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.442 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 96.0 Cg_endo -79.49 135.81 12.01 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 120.968 1.112 . . . . 52.23 111.123 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.28 75.23 5.85 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.94 0.876 . . . . 65.15 109.364 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 19.1 m120 -128.66 -60.7 1.09 Allowed 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.351 -1.295 . . . . 73.42 111.509 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.29 73.65 1.05 Allowed 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.003 0.906 . . . . 75.31 110.573 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 49.5 m -154.38 19.19 0.48 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.919 -1.491 . . . . 75.22 108.177 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.89 77.49 Favored Glycine 0 C--N 1.305 -1.165 0 CA-C-N 114.735 -1.12 . . . . 43.21 110.328 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 25.9 m -70.73 -16.81 62.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.875 -0.663 . . . . 54.43 110.246 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -139.42 -80.86 0.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.442 0.639 . . . . 72.13 111.32 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -177.31 -62.06 0.06 OUTLIER Glycine 0 C--N 1.286 -2.234 0 N-CA-C 106.474 -2.65 . . . . 61.54 106.474 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.486 HD21 HG21 ' A' ' 676' ' ' ILE . 19.8 mt -122.33 -39.42 2.57 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 106.273 -1.751 . . . . 71.12 106.273 167.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 101.57 46.8 1.61 Allowed Glycine 0 N--CA 1.403 -3.561 0 CA-C-N 113.739 -1.573 . . . . 65.54 110.692 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.9 t -137.58 152.51 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 N-CA-C 107.05 -1.463 . . . . 55.05 107.05 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 38.4 m -112.56 134.0 54.32 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.337 -1.357 . . . . 64.33 107.337 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.51 HG11 ' CD2' ' A' ' 642' ' ' LEU . 5.0 m -127.5 158.91 38.64 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 CA-C-O 121.202 0.525 . . . . 63.14 111.524 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.53 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 23.3 pttm -148.73 151.59 35.14 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.368 -0.833 . . . . 64.23 109.721 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.55 145.36 15.91 Favored Glycine 0 N--CA 1.416 -2.684 0 C-N-CA 119.845 -1.169 . . . . 53.04 110.959 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.468 HD22 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -116.12 132.41 56.67 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.816 -1.55 . . . . 73.13 106.816 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.651 ' HG3' ' ND2' ' A' ' 655' ' ' ASN . 57.9 mtm180 -116.77 151.1 37.16 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 112.724 0.639 . . . . 73.15 112.724 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--N 1.309 -1.194 0 CA-C-N 114.864 -1.062 . . . . 75.11 109.993 176.355 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.75 0 N-CA-C 107.022 -1.473 . . . . 73.1 107.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -120.66 152.53 38.09 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 106.966 -1.494 . . . . 71.14 106.966 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.17 -11.67 23.99 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.429 -0.582 . . . . 64.13 109.429 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 99.31 -175.08 27.93 Favored Glycine 0 C--N 1.309 -0.919 0 CA-C-N 115.042 -0.981 . . . . 75.43 112.836 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.3 mm -91.66 126.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 C-N-CA 122.964 0.505 . . . . 43.33 109.716 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.1 m-85 -120.26 151.32 39.34 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 116.124 -0.489 . . . . 64.41 110.045 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.426 ' HA ' HG12 ' A' ' 605' ' ' VAL . 57.7 t -71.22 136.25 26.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 116.236 -0.438 . . . . 73.33 109.878 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.88 -37.72 5.32 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.138 0.494 . . . . 74.33 110.908 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 32.9 t -150.51 144.16 25.17 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 109.419 -0.585 . . . . 71.24 109.419 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -102.36 129.17 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 108.154 -1.054 . . . . 72.32 108.154 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.7 mt -93.51 113.08 27.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 121.297 0.57 . . . . 62.4 109.648 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -80.5 86.78 5.76 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.651 0.739 . . . . 73.13 110.501 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 178.04 -32.04 0.07 OUTLIER Glycine 0 C--N 1.295 -1.744 0 N-CA-C 110.144 -1.183 . . . . 63.43 110.144 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.31 40.67 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.578 -0.82 . . . . 52.21 111.617 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.12 65.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 54.22 111.058 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.11 -26.83 68.72 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.407 0.622 . . . . 75.13 110.7 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 44.3 t -77.84 -47.29 19.19 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.317 -0.856 . . . . 70.41 109.869 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -49.9 21.75 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.111 -0.495 . . . . 74.41 111.576 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.18 -43.02 29.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 111.953 0.353 . . . . 74.45 111.953 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -84.31 -43.53 6.97 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 119.823 -1.18 . . . . 73.33 114.354 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 635' ' ' ARG . 2.3 mmp_? 54.54 74.92 0.32 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.224 0.535 . . . . 64.33 111.791 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.66 -177.33 4.53 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.153 -0.476 . . . . 71.03 109.86 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 640' ' ' ASP . 12.0 ptp180 -129.71 164.08 24.75 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.195 -0.669 . . . . 72.14 109.195 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.73 145.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 108.289 -1.004 . . . . 71.14 108.289 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.59 20.79 4.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.189 0.996 . . . . 72.41 110.23 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 637' ' ' ARG . 7.4 t70 -92.23 149.82 21.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.654 -0.869 . . . . 61.04 108.654 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -93.84 125.49 38.49 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 112.733 0.642 . . . . 73.31 112.733 -172.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.51 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.8 mp -85.62 110.9 19.59 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.582 0.706 . . . . 63.51 110.26 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.497 HD12 HD22 ' A' ' 651' ' ' LEU . 43.8 mm -85.8 -57.03 4.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.152 -0.931 . . . . 65.15 110.518 -176.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.31 155.91 44.03 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.76 -0.655 . . . . 71.41 111.409 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.493 HG23 HD13 ' A' ' 678' ' ' LEU . 12.7 p -133.5 129.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.122 -0.696 . . . . 74.32 109.122 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 47.73 36.41 5.67 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.501 0.667 . . . . 71.12 112.484 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 80.5 -1.05 83.75 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 115.211 -0.904 . . . . 53.25 115.094 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.51 ' OE1' HG21 ' A' ' 661' ' ' THR . 0.3 OUTLIER -94.71 129.82 41.47 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.329 -1.36 . . . . 50.04 107.329 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.5 m -82.02 106.28 13.8 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.534 0.683 . . . . 62.21 112.643 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.89 -28.62 44.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.774 -0.648 . . . . 63.53 109.767 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 643' ' ' ILE . 53.4 tp -65.77 -13.57 59.65 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.749 -0.659 . . . . 52.35 111.851 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -91.51 -4.78 67.67 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.639 -0.791 . . . . 73.23 112.322 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -130.27 163.16 27.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.32 -0.252 . . . . 74.21 110.32 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.29 161.68 28.78 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.002 0.189 . . . . 73.41 110.981 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.651 ' ND2' ' HG3' ' A' ' 609' ' ' ARG . 57.5 m-20 -51.03 -48.29 61.52 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.343 0.657 . . . . 60.41 112.557 -175.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.53 -36.67 79.15 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.652 -0.704 . . . . 71.21 112.298 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.83 -38.54 76.56 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.55 96.82 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.132 -1.395 . . . . 60.54 110.996 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 mtt -62.22 -41.95 98.86 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.488 0.551 . . . . 71.3 112.488 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.58 -41.37 98.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.296 0.569 . . . . 70.04 109.611 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . 0.51 HG21 ' OE1' ' A' ' 648' ' ' GLU . 86.4 m -71.09 -39.24 72.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.279 -0.873 . . . . 71.35 110.469 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.603 ' O ' ' HG3' ' A' ' 666' ' ' MET . 36.2 tp -59.54 -56.07 26.54 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.725 0.81 . . . . 61.01 111.687 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.88 -36.36 83.08 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.208 0.528 . . . . 72.22 110.563 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.03 -50.08 74.79 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.02 -0.991 . . . . 72.12 110.449 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 40.2 m -64.07 -34.37 77.88 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 116.439 -0.346 . . . . 60.21 110.669 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 83.5 mtp -66.55 -41.23 88.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.129 0.49 . . . . 54.54 109.8 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.9 t -78.82 -55.71 4.95 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.525 -0.761 . . . . 55.24 110.896 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 58.4 m -69.94 -54.32 13.86 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.145 -0.479 . . . . 54.31 112.081 -175.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.985 0.735 . . . . 74.25 112.985 -176.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.56 -52.11 54.87 Favored Glycine 0 C--N 1.315 -0.625 0 C-N-CA 121.222 -0.513 . . . . 74.14 112.655 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.11 -12.99 60.43 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.504 0.669 . . . . 64.52 110.672 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -84.01 -40.74 18.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.29 0.567 . . . . 73.12 110.702 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -90.41 -22.59 21.37 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.043 -0.526 . . . . 75.14 110.427 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.12 -29.73 10.75 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.802 -0.919 . . . . 62.34 110.802 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.7 ptm -135.44 150.72 49.92 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.962 -0.755 . . . . 73.43 108.962 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 591' ' ' VAL . 7.9 tt -111.09 141.0 27.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 115.451 -0.795 . . . . 74.22 110.329 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -106.92 135.46 48.44 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.727 -0.67 . . . . 73.32 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 645' ' ' VAL . 1.7 mm? -127.78 123.7 35.88 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.878 -1.156 . . . . 55.41 107.878 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.445 HG13 ' HB ' ' A' ' 588' ' ' THR . 2.6 mp -108.57 119.74 58.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 107.291 -1.374 . . . . 73.31 107.291 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.464 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.8 m -122.59 173.25 8.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.174 -0.676 . . . . 73.4 109.174 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -137.66 126.05 23.35 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 120.892 0.377 . . . . 73.04 111.586 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 . . . . . 0 N--CA 1.417 -2.087 0 N-CA-C 107.761 -1.2 . . . . 64.43 107.761 175.227 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.199 -1.6 0 N-CA-C 110.299 -0.26 . . . . 75.12 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.53 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 50.7 mt-10 -117.74 138.41 52.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 112.892 0.701 . . . . 74.33 112.892 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 60.7 tp -140.43 134.95 31.51 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 115.349 -0.841 . . . . 73.44 110.376 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -104.14 125.81 58.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.54 -0.911 . . . . 73.52 108.54 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.526 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 19.9 pt . . . . . 0 N--CA 1.411 -2.389 0 CA-C-O 117.934 -1.032 . . . . 72.41 109.276 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 17.0 pt-20 . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.784 -1.191 . . . . 72.31 107.784 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.72 132.66 54.48 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.77 0.655 . . . . 75.35 112.77 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.64 140.25 51.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.217 -0.447 . . . . 72.41 109.89 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 43.0 m -116.15 122.41 44.99 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.897 -0.592 . . . . 73.1 109.936 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -125.88 141.44 51.98 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.534 -0.303 . . . . 73.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.33 127.11 54.39 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.655 0.74 . . . . 74.05 110.437 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.405 ' HB ' HG23 ' A' ' 676' ' ' ILE . 91.9 t -117.85 117.39 35.65 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 114.469 -1.242 . . . . 71.12 108.927 -174.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 78.8 Cg_endo -77.39 145.38 23.78 Favored 'Trans proline' 0 N--CA 1.44 -1.657 0 C-N-CA 121.128 1.219 . . . . 71.41 110.139 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.15 78.87 5.6 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.906 -1.146 . . . . 71.14 107.906 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -129.22 120.87 26.49 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.331 -1.304 . . . . 75.4 111.109 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.0 t70 76.84 -37.1 0.27 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.963 1.705 . . . . 74.43 111.628 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 599' ' ' ALA . 22.6 p -78.55 100.14 6.8 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 122.226 1.012 . . . . 61.13 110.207 174.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -117.24 -32.91 1.42 Allowed Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 113.872 -1.513 . . . . 72.44 110.661 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.7 p -77.07 -21.19 54.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.259 1.028 . . . . 72.34 109.643 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 596' ' ' SER . . . -137.23 137.12 38.74 Favored 'General case' 0 N--CA 1.393 -3.283 0 N-CA-C 104.763 -2.31 . . . . 63.12 104.763 174.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -68.15 -57.32 8.66 Favored Glycine 0 C--N 1.283 -2.373 0 N-CA-C 110.359 -1.096 . . . . 51.55 110.359 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 676' ' ' ILE . 7.0 mp -109.95 -27.65 9.13 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 109.019 -0.734 . . . . 72.51 109.019 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.5 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 78.09 52.65 5.2 Favored Glycine 0 N--CA 1.399 -3.788 0 N-CA-C 109.802 -1.319 . . . . 63.15 109.802 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.3 152.25 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.32 0 N-CA-C 106.209 -1.774 . . . . 62.3 106.209 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 30.6 m -114.13 133.12 55.78 Favored 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 106.944 -1.502 . . . . 75.03 106.944 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 621' ' ' VAL . 1.8 m -124.33 161.68 27.03 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.753 0 CA-C-N 116.099 -0.5 . . . . 75.41 111.663 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.37 154.37 37.65 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.33 -0.85 . . . . 62.23 109.239 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.17 126.27 8.6 Favored Glycine 0 C--N 1.288 -2.118 0 C-N-CA 118.874 -1.632 . . . . 64.43 112.605 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -95.48 130.52 42.28 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 106.649 -1.612 . . . . 53.34 106.649 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' B' ' 780' ' ' GLU . 38.6 ttp180 -134.44 134.23 41.37 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 116.586 -0.279 . . . . 75.24 111.459 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.426 -1.625 0 N-CA-C 107.24 -1.393 . . . . 75.54 107.24 174.648 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 108.879 -0.786 . . . . 55.13 108.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.3 p-10 -90.73 157.7 17.28 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 121.118 0.485 . . . . 75.53 110.334 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.8 mt -98.48 -7.28 28.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.081 -1.081 . . . . 74.44 108.081 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 109.01 -171.96 15.9 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.47 -1.241 . . . . 75.31 111.835 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.1 mm -97.42 131.04 45.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.249 -1.019 . . . . 71.2 108.249 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -122.42 146.04 47.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 110.083 -0.34 . . . . 62.01 110.083 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.4 t -65.45 128.19 27.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.77 -0.456 . . . . 72.52 109.77 172.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -98.95 -44.06 6.47 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 116.302 -0.408 . . . . 74.44 110.637 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 29.5 t -150.13 146.37 26.86 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 109.251 -0.648 . . . . 72.41 109.251 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.33 138.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.681 -0.859 . . . . 64.45 108.681 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -98.29 117.04 42.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.981 -0.748 . . . . 72.25 108.981 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -66.62 131.31 45.72 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.971 -0.559 . . . . 70.54 110.063 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.86 -23.98 22.6 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 110.923 -0.871 . . . . 62.23 110.923 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -69.27 144.09 40.36 Favored Glycine 0 N--CA 1.434 -1.489 0 C-N-CA 120.877 -0.677 . . . . 73.23 111.903 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.4 76.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.367 0.267 . . . . 73.11 111.657 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -65.8 -26.43 67.69 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.119 0.485 . . . . 75.14 111.034 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 36.3 t -76.16 -48.38 20.77 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.652 -0.869 . . . . 73.52 108.652 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.91 -52.13 39.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.76 -0.654 . . . . 40.22 111.338 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.43 -51.61 9.15 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.571 0.952 . . . . 74.43 113.571 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.14 -42.25 9.61 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.795 -0.717 . . . . 65.45 114.876 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 65.35 33.96 8.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.104 0.452 . . . . 73.32 111.611 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.82 160.07 18.18 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.886 0.374 . . . . 63.24 110.625 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.531 ' HE ' ' CG ' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -114.0 179.52 3.93 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.664 -0.815 . . . . 71.14 112.273 -176.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.2 t -81.13 141.66 14.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 108.435 -0.95 . . . . 74.0 108.435 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 67.9 31.76 5.52 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 122.985 1.374 . . . . 74.43 107.727 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.531 ' CG ' ' HE ' ' A' ' 637' ' ' ARG . 22.5 t0 -92.07 125.62 36.83 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.106 -1.812 . . . . 75.25 106.106 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.61 116.58 29.09 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.248 0.547 . . . . 63.02 111.182 -170.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.424 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.5 mp -74.1 109.8 7.88 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 123.933 0.893 . . . . 73.1 111.178 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.57 -56.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 124.013 0.925 . . . . 75.43 111.042 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.89 146.03 40.64 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 114.837 -1.074 . . . . 64.22 108.757 -176.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.419 HG11 HD23 ' A' ' 662' ' ' LEU . 8.5 p -130.67 136.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.811 -0.44 . . . . 72.42 109.811 -176.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.476 ' HB3' ' HG3' ' A' ' 669' ' ' GLU . 17.8 m120 62.3 16.19 8.26 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.181 0.992 . . . . 75.55 111.626 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.24 -5.24 67.93 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.462 -0.79 . . . . 74.33 111.51 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.92 127.38 47.42 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.043 0.449 . . . . 71.51 110.125 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.2 p -81.51 134.74 35.56 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.738 -0.664 . . . . 54.5 110.613 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.436 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.9 pt? -135.54 5.3 3.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 120.777 -0.369 . . . . 70.14 111.283 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.19 95.26 2.07 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 121.091 0.472 . . . . 55.01 110.178 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 149.28 38.87 0.04 OUTLIER Glycine 0 C--N 1.304 -1.225 0 CA-C-N 115.242 -0.89 . . . . 74.3 111.885 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.25 177.07 9.72 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.899 -0.778 . . . . 63.23 108.899 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.533 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -68.97 158.94 33.69 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.94 -0.304 . . . . 51.2 110.669 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.5 m120 -64.31 -40.82 96.7 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 116.291 -0.413 . . . . 75.41 111.19 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -66.37 -41.04 90.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 72.42 110.051 178.445 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 21.4 mm-40 -60.21 -46.0 91.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.378 -0.828 . . . . 72.12 109.12 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.579 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -59.47 -40.89 88.39 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 114.803 -1.09 . . . . 74.21 110.741 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 63.2 mtt -59.98 -44.44 94.47 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.465 -0.334 . . . . 74.51 111.606 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.54 -37.99 86.17 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 120.542 -0.463 . . . . 65.21 110.574 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 49.8 m -63.13 -40.06 96.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 109.602 -0.518 . . . . 61.01 109.602 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.703 ' O ' ' HG3' ' A' ' 666' ' ' MET . 93.7 mt -62.69 -57.47 10.9 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.006 -0.368 . . . . 64.13 110.006 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 659' ' ' MET . 64.2 mtp180 -59.14 -41.46 88.33 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.571 0.544 . . . . 73.41 110.874 -175.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -40.53 92.97 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.733 -0.667 . . . . 75.33 112.627 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 48.8 m -70.42 -30.89 67.87 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.715 -0.794 . . . . 75.43 110.065 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.703 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.7 mtp -67.22 -41.56 85.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.661 . . . . 74.22 109.214 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.2 t -77.64 -52.33 9.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.933 -1.03 . . . . 44.52 110.951 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.7 m -69.88 -59.31 3.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.083 0.468 . . . . 74.3 111.43 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' A' ' 646' ' ' ASN . 1.1 tm-20 -79.15 -41.57 28.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.15 -0.477 . . . . 73.25 109.954 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.5 -21.88 55.32 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 116.22 -0.445 . . . . 63.32 113.454 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -82.27 -27.47 32.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 74.12 109.968 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -72.15 -63.49 1.13 Allowed 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.061 -0.518 . . . . 73.21 111.186 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.59 -20.74 27.45 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.616 -0.434 . . . . 74.1 112.057 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.36 0.84 82.04 Favored Glycine 0 C--N 1.311 -0.837 0 C-N-CA 119.911 -1.138 . . . . 73.02 111.471 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 26.2 ptt? -141.57 155.71 45.75 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 109.989 -0.374 . . . . 74.21 109.989 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 601' ' ' LEU . 9.6 tt -117.63 140.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.263 0 CA-C-N 115.101 -0.954 . . . . 62.23 109.688 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -108.07 132.3 53.71 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.72 -0.474 . . . . 65.03 109.72 -178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.5 mm? -121.17 123.74 43.01 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 109.279 -0.638 . . . . 72.13 109.279 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 91.6 mt -108.14 115.18 48.47 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.418 -1.697 . . . . 74.22 106.418 174.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 642' ' ' LEU . 29.8 m -123.85 152.54 29.31 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.102 0 CA-C-N 115.21 -0.905 . . . . 61.2 111.291 -174.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.85 132.83 54.45 Favored 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 107.653 -1.24 . . . . 53.23 107.653 176.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.515 ' HG3' ' HD2' ' A' ' 637' ' ' ARG . 51.6 ttt180 . . . . . 0 C--N 1.256 -3.496 0 N-CA-C 107.862 -1.162 . . . . 74.54 107.862 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' A' ' 609' ' ' ARG . 35.3 mt-10 . . . . . 0 N--CA 1.433 -1.295 0 CA-C-O 122.049 0.928 . . . . 65.32 112.824 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -133.17 149.28 52.06 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.086 1.754 . . . . 71.33 107.637 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.41 HD21 ' HD2' ' A' ' 663' ' ' ARG . 1.0 OUTLIER -145.23 133.12 21.23 Favored 'General case' 0 N--CA 1.41 -2.447 0 N-CA-C 107.81 -1.181 . . . . 74.13 107.81 -178.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.24 128.71 56.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 108.9 -0.778 . . . . 75.35 108.9 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.644 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 18.3 pt . . . . . 0 N--CA 1.411 -2.397 0 CA-C-O 117.864 -1.065 . . . . 72.24 111.286 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.262 -1.014 . . . . 73.24 108.262 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 643' ' ' ILE . 10.9 m-30 -92.71 131.33 37.88 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.024 0.44 . . . . 61.22 111.549 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 94.4 mt -114.12 132.08 56.18 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.131 . . . . 73.31 107.948 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 68.9 m -113.13 121.43 44.53 Favored 'General case' 0 C--N 1.265 -3.089 0 CA-C-N 115.799 -0.637 . . . . 70.0 109.711 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.96 132.67 56.09 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.771 -0.825 . . . . 72.44 108.771 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -112.8 132.32 55.31 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.205 -0.598 . . . . 61.42 109.798 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.14 117.52 26.92 Favored Pre-proline 0 C--N 1.285 -2.239 0 N-CA-C 108.474 -0.936 . . . . 75.32 108.474 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 91.6 Cg_endo -80.78 147.21 17.03 Favored 'Trans proline' 0 N--CA 1.43 -2.228 0 C-N-CA 121.002 1.134 . . . . 74.33 111.456 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 65.93 5.46 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-O 122.701 1.238 . . . . 65.33 107.882 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -111.03 -72.79 0.7 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 112.991 -1.913 . . . . 72.32 109.434 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.84 77.28 3.21 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.668 -1.234 . . . . 73.45 107.668 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 47.7 p -153.44 110.23 3.41 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 113.349 -1.75 . . . . 62.45 108.657 -175.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -144.78 -35.22 0.07 OUTLIER Glycine 0 N--CA 1.417 -2.594 0 N-CA-C 110.648 -0.981 . . . . 70.04 110.648 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 39.8 p -86.66 -18.14 32.04 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.48 0.657 . . . . 71.4 109.991 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -150.99 177.83 9.77 Favored 'General case' 0 N--CA 1.406 -2.632 0 N-CA-C 106.887 -1.523 . . . . 60.44 106.887 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -90.7 -50.63 2.86 Favored Glycine 0 C--N 1.283 -2.4 0 N-CA-C 109.701 -1.359 . . . . 52.43 109.701 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.75 -39.26 4.05 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.591 -0.892 . . . . 75.43 108.591 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 93.57 48.73 2.69 Favored Glycine 1 N--CA 1.393 -4.21 0 N-CA-C 109.518 -1.433 . . . . 61.52 109.518 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.6 152.46 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.6 -1.259 . . . . 74.2 107.6 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 25.0 m -116.24 131.29 56.98 Favored 'General case' 0 N--CA 1.406 -2.675 0 N-CA-C 107.492 -1.299 . . . . 74.21 107.492 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.537 HG11 HD21 ' A' ' 642' ' ' LEU . 2.9 m -124.89 153.33 31.87 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.313 0 CA-C-O 121.413 0.625 . . . . 72.2 111.218 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -150.54 155.42 39.42 Favored 'General case' 0 C--N 1.268 -2.948 0 CA-C-N 115.218 -0.901 . . . . 50.11 108.597 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -102.54 128.25 9.48 Favored Glycine 0 C--N 1.281 -2.499 0 C-N-CA 118.694 -1.717 . . . . 74.12 110.905 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -94.07 123.15 37.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 106.364 -1.717 . . . . 73.15 106.364 -179.087 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.475 ' N ' HD22 ' A' ' 608' ' ' ASN . 35.0 ttm180 -116.05 142.3 46.98 Favored 'General case' 0 C--N 1.275 -2.672 0 N-CA-C 108.408 -0.96 . . . . 74.31 108.408 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 C--N 1.302 -1.467 0 N-CA-C 107.934 -1.135 . . . . 73.43 107.934 174.552 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.133 0 N-CA-C 108.04 -1.096 . . . . 73.11 108.04 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -82.57 148.13 28.22 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 120.46 -0.496 . . . . 64.05 110.384 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -95.99 -7.62 35.91 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.342 -1.355 . . . . 64.13 107.342 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 113.11 -178.42 18.67 Favored Glycine 0 C--O 1.244 0.768 0 CA-C-N 114.28 -1.327 . . . . 63.12 112.127 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.489 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.9 mm -92.09 126.15 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 107.865 -1.161 . . . . 73.15 107.865 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.2 m-85 -118.97 148.08 43.36 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.442 0.639 . . . . 63.01 111.465 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.48 ' HA ' HG12 ' A' ' 605' ' ' VAL . 67.3 t -72.57 118.05 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 107.968 -1.123 . . . . 41.31 107.968 172.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.586 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -93.76 -44.53 8.1 Favored 'General case' 0 C--N 1.273 -2.726 0 CA-C-N 115.622 -0.717 . . . . 64.13 111.103 -178.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 15.8 m -148.78 135.96 20.13 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 115.736 -0.665 . . . . 65.01 109.326 -174.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.04 135.7 27.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 107.62 -1.252 . . . . 62.23 107.62 172.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.0 mt -84.12 111.51 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 N-CA-C 107.134 -1.432 . . . . 72.21 107.134 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.16 108.7 3.71 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.087 -0.96 . . . . 74.15 110.689 -174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 130.78 -16.58 5.31 Favored Glycine 0 N--CA 1.431 -1.64 0 CA-C-N 115.22 -0.9 . . . . 60.25 111.369 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . 0.509 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -76.14 166.3 54.32 Favored Glycine 0 C--O 1.241 0.544 0 C-N-CA 120.623 -0.799 . . . . 72.23 111.947 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.56 78.64 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 122.647 -0.325 . . . . 55.33 111.666 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.47 -26.53 62.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.412 0.625 . . . . 42.43 109.797 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 30.5 t -69.32 -53.19 20.92 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.775 -1.102 . . . . 75.45 109.456 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -75.65 -51.29 13.13 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 114.896 1.443 . . . . 71.31 114.896 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.94 -52.55 7.33 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.313 0.857 . . . . 71.22 113.313 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -75.19 -40.87 33.04 Favored Glycine 0 CA--C 1.501 -0.842 0 CA-C-N 115.554 -0.748 . . . . 43.14 113.824 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 56.19 80.4 0.15 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.453 1.101 . . . . 60.33 112.01 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.13 162.23 28.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.816 0.817 . . . . 72.33 112.769 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 682' ' ' ARG . 6.2 ptm180 -110.64 -9.63 14.52 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 115.832 1.79 . . . . 64.55 115.832 -164.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 68.9 t 71.15 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 123.468 0.707 . . . . 64.12 112.691 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 61.83 32.39 18.08 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.668 -2.345 . . . . 74.11 104.668 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.4 t0 -98.66 130.12 45.16 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 111.98 -2.373 . . . . 70.23 109.28 -173.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -88.54 120.8 30.26 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 112.424 0.527 . . . . 71.54 112.424 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.537 HD21 HG11 ' A' ' 605' ' ' VAL . 7.5 mp -78.31 117.63 19.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.455 0.645 . . . . 75.22 110.571 177.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 651' ' ' LEU . 45.1 mm -95.33 -56.22 5.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 CA-C-N 115.275 -0.875 . . . . 63.25 109.895 -176.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -143.26 155.49 44.51 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 114.87 -1.059 . . . . 73.33 110.186 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.447 HG23 HD13 ' A' ' 678' ' ' LEU . 13.5 p -136.41 131.51 48.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 109.128 -0.693 . . . . 74.52 109.128 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.31 28.74 4.49 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.125 0.787 . . . . 73.33 113.125 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.75 -19.6 51.9 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 120.808 -0.711 . . . . 71.42 113.618 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -86.77 126.18 34.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.965 -0.754 . . . . 61.42 108.965 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.5 t -90.57 146.3 24.18 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 120.714 0.292 . . . . 73.32 110.294 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.41 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.5 pp -133.39 5.19 3.74 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 113.551 0.945 . . . . 62.44 113.551 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 643' ' ' ILE . 4.9 tt -73.17 101.11 3.24 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.41 -0.959 . . . . 72.4 108.41 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 153.07 -29.58 0.8 Allowed Glycine 0 C--N 1.292 -1.904 0 N-CA-C 110.368 -1.093 . . . . 73.41 110.368 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.4 OUTLIER -90.68 169.04 11.32 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 109.074 -0.713 . . . . 73.53 109.074 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.0 167.84 20.53 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 116.304 -0.407 . . . . 72.4 111.301 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -53.15 -42.1 65.77 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.358 0.663 . . . . 73.24 111.681 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -63.89 -51.47 64.39 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.597 -0.729 . . . . 64.32 110.224 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.39 -39.94 95.86 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.167 -0.924 . . . . 72.13 109.701 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.56 88.24 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 115.046 -0.979 . . . . 75.11 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.1 mtt -62.65 -40.42 96.97 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 120.093 -0.643 . . . . 41.13 111.831 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.0 mt-10 -59.32 -45.49 91.19 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.032 0.444 . . . . 73.3 110.154 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 62.2 m -65.83 -48.36 71.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.274 -0.876 . . . . 64.12 109.555 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.463 HD23 HD23 ' B' ' 782' ' ' LEU . 39.7 tp -57.1 -50.64 72.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.297 -0.865 . . . . 63.13 111.721 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.467 ' HE ' HD13 ' B' ' 782' ' ' LEU . 92.8 mtt180 -55.03 -47.33 74.9 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.379 0.424 . . . . 74.41 110.38 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.54 -51.13 66.77 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.59 -0.732 . . . . 74.32 111.582 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 34.7 m -71.84 -35.34 69.85 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 120.514 -0.475 . . . . 64.22 111.675 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -74.94 -32.59 61.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.19 -0.604 . . . . 64.11 110.801 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 37.5 t -85.25 -53.0 5.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.115 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 95.5 m -66.05 -54.85 20.71 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.424 -0.353 . . . . 53.43 111.802 -176.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -90.48 -22.51 21.34 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.907 1.077 . . . . 53.34 113.907 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.86 -56.89 22.26 Favored Glycine 0 C--N 1.318 -0.438 0 C-N-CA 120.711 -0.757 . . . . 61.14 112.119 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.57 -21.68 60.28 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 122.685 -0.303 . . . . 74.45 111.81 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.83 -47.77 61.49 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.186 0.517 . . . . 61.12 110.534 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -77.38 -31.7 54.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.626 0.727 . . . . 72.04 109.969 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 102.65 -13.84 56.45 Favored Glycine 0 CA--C 1.502 -0.737 0 N-CA-C 110.308 -1.117 . . . . 71.51 110.308 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.493 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.9 ptp -148.24 154.58 40.26 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 109.183 -0.673 . . . . 45.11 109.183 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . . . . . . . . . 7.3 tt -119.43 140.76 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.56 0 CA-C-N 115.146 -0.934 . . . . 74.33 110.736 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.5 132.62 51.44 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.978 -0.555 . . . . 73.53 109.888 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 645' ' ' VAL . 1.5 mm? -121.8 124.06 43.26 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.972 -0.751 . . . . 74.32 108.972 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 98.2 mt -110.02 115.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 N-CA-C 108.082 -1.081 . . . . 71.33 108.082 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.31 165.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 CA-C-N 114.554 -1.203 . . . . 70.43 109.452 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . 0.436 ' HB2' HD11 ' A' ' 643' ' ' ILE . . . -118.66 139.08 52.09 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.612 0.72 . . . . 60.25 111.725 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.446 ' HA ' ' NH1' ' A' ' 637' ' ' ARG . 35.2 ttt180 . . . . . 0 N--CA 1.413 -2.292 0 N-CA-C 107.356 -1.35 . . . . 75.02 107.356 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.48 -1.713 0 CA-C-O 122.541 1.163 . . . . 70.35 107.883 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.586 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 25.8 mt-10 -134.08 141.56 47.21 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 112.637 -2.074 . . . . 71.13 108.27 -173.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.467 HD13 ' HE ' ' A' ' 663' ' ' ARG . 35.6 tp -125.02 126.47 45.47 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 115.992 -0.549 . . . . 74.12 109.684 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -100.7 126.34 54.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 N-CA-C 109.001 -0.74 . . . . 74.44 109.001 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 27.2 pt . . . . . 0 N--CA 1.414 -2.264 0 CA-C-O 118.676 -0.678 . . . . 62.42 110.184 178.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 19.9 mm-40 . . . . . 0 CA--C 1.492 -1.258 0 N-CA-C 110.028 -0.36 . . . . 63.04 110.028 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . 0.412 ' C ' HD12 ' A' ' 587' ' ' LEU . 89.4 m-85 -100.66 122.72 43.78 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.214 -0.903 . . . . 72.1 110.198 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 586' ' ' PHE . 5.9 mp -122.09 137.12 54.93 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 108.458 -0.941 . . . . 74.3 108.458 178.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 45.4 m -109.48 127.72 54.64 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 115.833 -0.621 . . . . 70.51 109.836 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -123.96 135.65 53.8 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.428 -0.805 . . . . 74.15 109.566 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.64 134.35 53.27 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.461 -0.941 . . . . 72.05 108.461 175.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.483 ' HB ' HG23 ' A' ' 676' ' ' ILE . 84.9 t -126.05 117.76 23.81 Favored Pre-proline 0 C--N 1.285 -2.205 0 CA-C-N 115.918 -0.583 . . . . 61.54 109.617 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 60.4 Cg_endo -75.82 148.1 31.8 Favored 'Trans proline' 0 N--CA 1.44 -1.648 0 C-N-CA 121.279 1.319 . . . . 74.44 110.461 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.38 82.87 5.47 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.715 0.769 . . . . 74.23 110.248 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -76.52 -160.85 0.16 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.997 -1.456 . . . . 74.43 111.317 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -78.12 74.9 4.66 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 121.825 0.821 . . . . 73.25 110.737 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.1 p -110.12 -77.75 0.59 Allowed 'General case' 0 N--CA 1.402 -2.868 0 CA-C-N 114.059 -1.428 . . . . 63.1 109.312 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 72.91 -63.56 1.59 Allowed Glycine 0 C--N 1.314 -0.654 0 C-N-CA 121.103 -0.57 . . . . 71.31 112.342 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.5 p -72.41 -28.53 63.03 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.459 0.647 . . . . 72.04 109.948 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.512 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -116.59 164.54 14.44 Favored 'General case' 1 N--CA 1.372 -4.349 0 N-CA-C 105.227 -2.138 . . . . 75.31 105.227 169.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -99.44 -62.52 0.83 Allowed Glycine 1 C--N 1.243 -4.62 0 N-CA-C 107.976 -2.05 . . . . 55.01 107.976 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.491 HD11 HD13 ' A' ' 676' ' ' ILE . 6.7 mp -103.47 -30.76 10.34 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.983 -1.108 . . . . 65.11 108.093 176.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.53 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 83.32 53.79 3.34 Favored Glycine 0 N--CA 1.406 -3.348 0 N-CA-C 109.487 -1.445 . . . . 74.21 109.487 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.0 t -136.17 153.25 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 106.649 -1.611 . . . . 64.32 106.649 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.9 m -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.826 -1.175 . . . . 51.24 107.826 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 642' ' ' LEU . 6.6 m -124.4 159.93 29.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 O-C-N 123.546 0.529 . . . . 61.33 111.16 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.516 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 62.6 pttt -150.08 155.14 39.33 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-N 115.458 -0.792 . . . . 51.21 109.104 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -103.71 125.69 8.52 Favored Glycine 0 C--N 1.282 -2.444 0 C-N-CA 118.762 -1.685 . . . . 70.41 111.505 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.543 HD22 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -94.75 130.13 41.4 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.017 -1.475 . . . . 72.23 107.017 -179.01 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.543 ' N ' HD22 ' A' ' 608' ' ' ASN . 17.3 ttp180 -133.75 129.86 37.25 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 120.963 0.411 . . . . 74.13 111.157 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--N 1.299 -1.591 0 CA-C-N 115.342 -0.845 . . . . 65.35 108.741 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 109.877 -0.416 . . . . 72.0 109.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.2 p-10 -79.07 153.11 30.44 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.772 -0.455 . . . . 75.31 109.772 176.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.53 -5.25 27.19 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.417 -0.957 . . . . 63.44 108.417 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.52 -166.39 15.08 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.633 -1.167 . . . . 71.43 112.164 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.428 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 44.9 mm -98.25 133.69 39.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.445 -0.946 . . . . 74.4 108.445 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 88.4 m-85 -127.59 152.84 47.13 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 122.51 0.324 . . . . 75.34 110.944 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.06 136.75 24.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.799 -0.637 . . . . 73.12 109.51 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.516 ' HD2' ' HB3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -116.57 -35.14 4.32 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.04 0.447 . . . . 73.31 111.682 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 48.5 m -148.75 138.92 22.34 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.555 -0.293 . . . . 62.23 110.425 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.28 128.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 108.147 -1.057 . . . . 53.35 108.147 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 68.6 mt -90.83 113.92 27.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 109.539 -0.541 . . . . 74.2 109.539 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -61.5 126.84 28.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.319 -0.855 . . . . 71.42 109.408 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.79 -22.66 25.52 Favored Glycine 0 C--N 1.303 -1.3 0 N-CA-C 111.038 -0.825 . . . . 74.23 111.038 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -65.25 153.89 50.47 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.555 -0.322 . . . . 72.3 112.705 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.946 0.403 . . . . 61.11 111.121 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.01 -26.8 63.28 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.572 0.701 . . . . 64.52 109.342 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.0 m -73.31 -51.82 16.15 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 114.414 -1.266 . . . . 53.04 110.005 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.48 -52.87 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.275 0.472 . . . . 54.21 112.275 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.52 -51.04 9.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.968 0.729 . . . . 74.12 112.968 -171.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.65 7.84 Favored Glycine 0 C--N 1.318 -0.43 0 C-N-CA 120.487 -0.863 . . . . 54.14 114.095 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 68.38 82.77 0.17 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.951 0.882 . . . . 74.12 110.781 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.51 163.98 12.08 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.09 -0.959 . . . . 64.14 111.411 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.547 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 9.5 ptt-85 -112.4 163.1 14.82 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.318 -1.31 . . . . 63.1 111.255 -175.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 47.8 t -81.32 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.122 -0.944 . . . . 71.31 109.157 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 73.33 18.24 3.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.172 1.389 . . . . 73.41 112.092 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.845 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 11.9 t70 -81.1 153.14 27.47 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.383 -1.71 . . . . 74.13 106.383 173.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . 0.407 ' HB2' ' CE2' ' A' ' 620' ' ' PHE . 0.1 OUTLIER -105.47 115.92 31.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 118.525 0.602 . . . . 64.22 109.638 -174.425 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.49 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.7 mp -72.64 118.32 15.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.558 0.694 . . . . 61.43 111.668 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.407 HG13 ' CE2' ' A' ' 586' ' ' PHE . 45.7 mm -95.06 -62.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.092 -0.958 . . . . 71.35 111.744 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -132.97 140.73 47.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 115.675 -0.693 . . . . 64.11 110.958 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.51 HG21 ' CD2' ' A' ' 662' ' ' LEU . 32.8 t -125.08 119.05 54.74 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 N-CA-C 107.741 -1.207 . . . . 72.13 107.741 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 49.91 44.48 25.33 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.391 0.615 . . . . 43.14 111.351 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 73.24 0.09 50.75 Favored Glycine 0 CA--C 1.541 1.67 0 CA-C-N 115.192 -0.913 . . . . 73.42 114.479 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.87 127.1 41.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.362 0.581 . . . . 73.34 109.494 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 31.5 t -94.07 148.93 21.69 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.677 0.751 . . . . 72.24 111.932 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.59 -6.63 17.88 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.202 -0.908 . . . . 70.22 109.804 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.17 100.01 1.59 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.902 -0.59 . . . . 54.12 111.41 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 132.35 -14.38 5.09 Favored Glycine 0 C--N 1.3 -1.46 0 C-N-CA 120.344 -0.931 . . . . 53.43 112.197 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -110.22 149.22 30.45 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 120.901 -0.32 . . . . 64.51 110.143 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.456 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -59.91 164.36 3.92 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.909 0.756 . . . . 70.5 111.813 -177.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -54.35 -47.12 72.93 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.806 0.443 . . . . 64.04 112.047 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.693 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -73.07 -34.99 66.58 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.588 -0.445 . . . . 64.22 111.302 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . 0.456 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 41.0 mm-40 -61.53 -46.3 90.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.423 -0.955 . . . . 75.23 108.423 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.34 -47.34 81.83 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.225 -1.352 . . . . 75.45 110.622 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.506 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.3 mtt -60.47 -37.13 80.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.855 1.058 . . . . 45.04 113.855 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.42 -48.37 75.64 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.022 -0.733 . . . . 64.0 109.022 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 82.9 m -65.27 -35.15 80.14 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.316 -0.857 . . . . 75.24 109.714 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.51 ' CD2' HG21 ' A' ' 645' ' ' VAL . 2.6 tm? -63.92 -56.11 17.7 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 124.302 1.041 . . . . 70.11 109.743 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 659' ' ' MET . 80.8 mtp180 -56.77 -46.29 81.55 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.361 0.6 . . . . 72.33 110.382 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -63.99 -48.29 77.0 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.0 -1.0 . . . . 74.21 111.949 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 33.6 m -75.66 -32.88 60.36 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.79 -0.764 . . . . 65.13 111.581 -174.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 4.3 ppp? -72.52 -30.83 64.83 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.609 -0.437 . . . . 74.3 110.695 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.06 -55.9 3.27 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.558 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.2 m -62.75 -47.5 83.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.667 0.617 . . . . 74.43 112.667 -174.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 7.5 tp10 -87.83 -35.6 17.71 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.267 0.556 . . . . 72.22 109.577 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.25 -51.28 56.12 Favored Glycine 0 C--O 1.238 0.36 0 CA-C-N 116.02 -0.537 . . . . 55.42 113.141 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -77.67 -2.88 38.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.751 0.786 . . . . 61.13 110.118 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -87.0 -46.9 9.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.772 -0.649 . . . . 72.22 109.486 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 14.4 mmt180 -78.84 -27.99 44.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.728 -0.669 . . . . 61.54 110.193 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.63 -13.36 62.64 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.179 -1.168 . . . . 72.45 110.179 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.428 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 23.1 ptm -148.27 145.81 28.35 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 108.619 -0.882 . . . . 41.52 108.619 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.491 HD13 HD11 ' A' ' 601' ' ' LEU . 6.9 tt -111.25 143.44 21.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.317 0 CA-C-N 115.573 -0.74 . . . . 73.44 110.424 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -108.94 131.37 55.1 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.141 -0.481 . . . . 73.23 109.896 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -126.53 124.57 40.32 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.839 -0.43 . . . . 74.42 109.839 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.76 121.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 105.93 -1.878 . . . . 64.24 105.93 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.845 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.1 m -122.98 152.93 27.85 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.326 0 O-C-N 123.489 0.493 . . . . 64.35 109.758 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -127.7 126.15 41.35 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 120.959 0.409 . . . . 53.5 111.654 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.447 ' O ' ' HD2' ' A' ' 682' ' ' ARG . 6.3 ppt_? . . . . . 0 C--N 1.293 -1.849 0 N-CA-C 107.869 -1.16 . . . . 75.23 107.869 175.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 122.144 0.973 . . . . 64.13 108.722 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.438 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.4 mt-10 -115.81 136.39 53.09 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 113.293 -1.776 . . . . 75.41 107.871 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.402 ' CD2' HD12 ' A' ' 662' ' ' LEU . 63.9 tp -137.11 130.81 31.77 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 109.851 -0.425 . . . . 73.13 109.851 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . 0.406 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.4 mp -101.53 127.85 54.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.841 -0.429 . . . . 71.44 109.841 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.507 HG21 HD11 ' A' ' 662' ' ' LEU . 15.6 pt . . . . . 0 N--CA 1.412 -2.331 0 CA-C-O 118.232 -0.89 . . . . 64.23 109.771 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.48 122.46 39.41 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 116.383 -0.372 . . . . 73.4 111.263 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.38 131.7 54.83 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 116.007 -0.542 . . . . 73.12 109.723 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 47.8 m -104.37 121.5 43.51 Favored 'General case' 0 C--N 1.266 -3.034 0 CA-C-N 115.21 -0.905 . . . . 70.55 109.741 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -121.34 126.45 49.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.558 -0.904 . . . . 71.23 108.558 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.57 120.79 43.28 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 121.558 0.695 . . . . 54.21 109.599 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 676' ' ' ILE . 83.7 t -108.04 118.22 53.19 Favored Pre-proline 0 C--N 1.279 -2.469 0 CA-C-N 114.496 -1.229 . . . . 72.11 109.525 -172.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.4 Cg_endo -75.02 145.83 31.84 Favored 'Trans proline' 0 N--CA 1.441 -1.567 0 C-N-CA 121.586 1.524 . . . . 65.43 111.24 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.4 80.24 4.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.663 0.744 . . . . 71.11 109.5 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 596' ' ' SER . 86.1 m-20 -120.54 -65.61 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.546 -1.206 . . . . 62.1 110.358 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.47 15.37 3.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.941 0.877 . . . . 71.14 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.683 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 21.6 m -78.45 8.81 4.6 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.071 1.348 . . . . 71.13 112.671 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.38 -22.55 40.28 Favored Glycine 0 N--CA 1.421 -2.366 0 C-N-CA 120.026 -1.083 . . . . 54.12 111.913 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 23.7 t -92.89 -30.99 15.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.07 0.938 . . . . 62.44 109.763 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.683 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -164.18 155.03 15.41 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 103.907 -2.627 . . . . 72.53 103.907 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -65.06 -55.82 19.59 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 111.301 -0.719 . . . . 51.1 111.301 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 676' ' ' ILE . 12.0 mt -112.42 -32.65 6.42 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.734 -0.839 . . . . 52.43 108.734 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 91.73 41.05 5.14 Favored Glycine 0 N--CA 1.411 -3.005 0 N-CA-C 109.759 -1.336 . . . . 71.23 109.759 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.35 152.56 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 N-CA-C 106.912 -1.514 . . . . 72.13 106.912 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . 0.445 ' C ' ' HB3' ' A' ' 622' ' ' LYS . 24.7 m -109.92 136.94 48.42 Favored 'General case' 0 C--N 1.267 -2.999 0 N-CA-C 106.265 -1.754 . . . . 54.41 106.265 171.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 621' ' ' VAL . 3.7 m -126.67 163.5 28.92 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-O 121.158 0.504 . . . . 75.35 111.129 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.611 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 60.0 pttt -149.62 152.29 35.18 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.039 -0.982 . . . . 74.54 109.603 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.8 134.85 12.3 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.908 -1.139 . . . . 62.33 111.233 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.94 139.63 40.19 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.908 -0.775 . . . . 63.23 108.908 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.7 ttt180 -133.18 139.54 47.08 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 108.153 -1.054 . . . . 75.34 108.153 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.438 -1.029 0 O-C-N 123.914 0.759 . . . . 70.1 110.406 179.097 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.534 0 N-CA-C 108.598 -0.889 . . . . 50.41 108.598 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.1 p-10 -78.75 145.09 34.62 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.479 -0.489 . . . . 74.14 111.082 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.49 -7.61 37.62 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.367 -0.975 . . . . 72.42 108.367 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.72 -177.64 23.64 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 114.423 -1.262 . . . . 55.21 112.834 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.414 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.3 mm -93.22 130.83 41.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 109.27 -0.641 . . . . 74.31 109.27 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.3 m-85 -123.83 152.61 42.1 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 122.655 0.382 . . . . 74.21 110.436 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 605' ' ' VAL . 68.5 t -66.19 127.08 26.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.798 0.808 . . . . 70.1 110.672 174.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.445 ' HB3' ' C ' ' A' ' 604' ' ' SER . 39.9 tttp -92.87 -59.13 2.13 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 114.263 -1.335 . . . . 64.2 110.608 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.0 m -150.24 146.46 26.83 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.664 -0.495 . . . . 74.11 109.664 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.85 130.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.618 -0.512 . . . . 75.14 109.618 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -91.45 113.28 26.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.055 -1.461 . . . . 74.14 107.055 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.08 81.28 5.36 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 122.07 0.938 . . . . 74.31 110.239 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 163.55 45.07 0.02 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 N-CA-C 108.61 -1.796 . . . . 55.12 108.61 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -148.78 159.32 27.99 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.242 -1.143 . . . . 74.54 110.242 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.48 72.52 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 112.173 0.435 . . . . 62.1 112.173 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.31 -26.51 63.81 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.566 0.698 . . . . 72.54 110.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 12.8 m -72.4 -52.86 14.14 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.74 -1.118 . . . . 52.15 109.756 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.67 -52.58 10.19 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.462 0.541 . . . . 64.04 112.462 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.89 -51.26 9.33 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.668 -0.413 . . . . 75.33 110.747 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -62.63 -42.63 99.67 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.284 -0.871 . . . . 54.43 114.087 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 68.0 32.37 5.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.737 0.415 . . . . 63.34 111.387 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.98 158.88 34.8 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.982 0.734 . . . . 74.42 112.982 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 640' ' ' ASP . 1.4 ppt_? -114.74 158.16 22.2 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.514 -1.221 . . . . 75.42 112.024 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.32 143.85 14.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.325 -0.398 . . . . 63.42 110.364 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 66.51 29.19 9.2 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.85 1.26 . . . . 64.52 109.804 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.781 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 9.0 t70 -82.0 146.25 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.728 -1.582 . . . . 71.15 106.728 173.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.89 112.52 24.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.861 -0.792 . . . . 74.3 108.861 -176.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.5 mp -73.29 112.82 9.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.61 -0.723 . . . . 72.43 110.747 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.405 HD12 HD12 ' A' ' 651' ' ' LEU . 35.0 mm -90.88 -54.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.27 -0.877 . . . . 54.11 111.541 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -142.29 152.14 42.7 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.295 0.48 . . . . 71.13 112.295 -173.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 650' ' ' LEU . 33.3 m -132.11 134.85 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.165 -0.47 . . . . 73.11 110.19 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 45.23 36.07 2.04 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.144 1.164 . . . . 72.24 114.144 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.02 37.87 Favored Glycine 0 C--N 1.313 -0.715 0 C-N-CA 119.872 -1.156 . . . . 61.43 114.976 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.52 131.76 37.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 118.336 1.068 . . . . 74.04 111.305 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.6 m -79.32 128.76 33.73 Favored 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 123.574 0.546 . . . . 75.13 109.749 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 645' ' ' VAL . 7.7 mp -101.22 -15.98 17.14 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.285 -0.416 . . . . 72.33 111.098 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 643' ' ' ILE . 5.3 tt -71.28 93.41 1.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.617 -1.253 . . . . 61.14 107.617 177.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.4 -32.39 0.64 Allowed Glycine 0 C--N 1.298 -1.573 0 N-CA-C 109.962 -1.255 . . . . 73.22 109.962 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -92.63 162.3 14.23 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.325 -0.62 . . . . 72.24 109.325 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.9 167.34 15.9 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 123.322 0.389 . . . . 54.12 110.848 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.649 ' O ' ' HG3' ' A' ' 659' ' ' MET . 92.1 m-20 -58.21 -47.95 81.87 Favored 'General case' 0 CA--C 1.492 -1.277 0 C-N-CA 121.3 -0.16 . . . . 52.21 110.89 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 660' ' ' GLU . 21.4 mt-30 -54.53 -44.77 73.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.244 0.545 . . . . 74.31 110.518 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -65.07 -48.07 75.07 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.972 -1.013 . . . . 72.22 109.98 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.22 86.03 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.214 -0.903 . . . . 70.22 110.979 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.649 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.9 mtp -64.75 -40.48 95.36 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.611 -0.268 . . . . 71.41 110.862 -177.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.5 mt-10 -68.46 -40.4 81.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.805 -0.758 . . . . 54.42 110.432 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.3 m -65.41 -40.02 92.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.24 0.543 . . . . 52.14 109.857 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 666' ' ' MET . 39.1 tp -59.75 -55.87 28.96 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.164 0.986 . . . . 72.4 111.633 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 659' ' ' MET . 16.4 ptm180 -68.69 -30.3 68.93 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.244 -0.582 . . . . 74.11 111.284 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -72.33 -42.42 65.39 Favored 'General case' 0 C--O 1.2 -1.547 0 CA-C-N 116.509 -0.314 . . . . 73.14 110.995 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 51.3 m -66.39 -34.01 76.99 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.66 -0.416 . . . . 73.15 111.392 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.453 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 19.6 ptp -77.16 -18.37 57.89 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.697 -0.401 . . . . 72.51 111.824 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.2 t -92.57 -55.96 3.2 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.221 0.534 . . . . 74.42 109.626 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 41.7 m -71.06 -48.33 53.32 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.698 -0.683 . . . . 63.3 111.906 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.31 -15.33 21.97 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.084 -0.647 . . . . 62.52 111.754 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -62.92 -71.19 0.87 Allowed Glycine 0 C--O 1.255 1.434 0 N-CA-C 111.075 -0.81 . . . . 43.41 111.075 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -79.04 79.55 5.43 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.28 -1.007 . . . . 65.25 108.28 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -175.5 -54.9 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.592 -1.64 . . . . 75.14 107.789 -176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -84.11 -41.34 17.21 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.392 -0.822 . . . . 73.13 109.678 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 112.91 -24.38 13.04 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.315 -1.114 . . . . 44.11 110.315 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.44 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.8 ptt? -146.17 153.71 40.96 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.804 -0.443 . . . . 65.3 109.804 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.63 HG21 HD21 ' A' ' 601' ' ' LEU . 3.6 tt -111.67 139.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 CA-C-N 115.072 -0.967 . . . . 75.34 109.73 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -102.39 130.13 49.07 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.655 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.7 124.03 42.47 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 116.053 -0.521 . . . . 63.3 109.653 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -105.03 119.52 54.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.404 -1.702 . . . . 73.13 106.404 171.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.781 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 23.4 m -122.78 162.71 22.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 108.717 -0.846 . . . . 64.31 108.717 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.03 125.97 54.31 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 121.242 0.544 . . . . 72.23 110.035 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 . . . . . 0 C--N 1.29 -1.992 0 CA-C-O 121.307 0.575 . . . . 74.31 110.078 -176.566 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.2 mt-10 . . . . . 0 N--CA 1.423 -1.798 0 N-CA-C 108.542 -0.91 . . . . 73.21 108.542 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.611 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 44.4 mt-10 -118.8 136.86 53.77 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.812 -0.631 . . . . 75.3 112.19 -175.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.7 tp -135.67 132.41 36.93 Favored 'General case' 0 N--CA 1.422 -1.843 0 CA-C-N 115.312 -0.858 . . . . 60.04 110.269 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 604' ' ' SER . 2.0 mp -96.29 121.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 108.098 -1.075 . . . . 74.04 108.098 170.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.453 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 8.9 pt . . . . . 0 N--CA 1.403 -2.8 0 CA-C-O 117.534 -1.222 . . . . 38.96 110.864 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.436 -1.152 0 N-CA-C 108.655 -0.869 . . . . 73.51 108.655 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.12 129.48 54.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.976 0.417 . . . . 73.41 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.66 131.16 55.48 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.958 -0.756 . . . . 62.22 108.958 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 37.7 m -110.5 122.07 46.84 Favored 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 115.243 -0.89 . . . . 73.52 109.063 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -121.27 134.36 55.16 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 108.912 -0.773 . . . . 74.54 108.912 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.71 113.94 21.41 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.759 -0.83 . . . . 64.05 108.759 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.441 HG23 HD21 ' A' ' 678' ' ' LEU . 98.7 t -110.31 117.18 51.89 Favored Pre-proline 0 C--N 1.27 -2.87 0 CA-C-N 114.453 -1.249 . . . . 73.5 110.871 -169.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 148.87 49.93 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.749 1.633 . . . . 65.31 110.35 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.82 78.98 0.87 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.848 0.832 . . . . 75.22 111.285 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -114.29 119.15 36.01 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.741 -1.118 . . . . 61.41 110.636 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 18.5 t70 63.98 24.09 13.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.861 1.315 . . . . 73.34 108.566 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 49.1 m -75.14 11.06 1.25 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.673 -1.603 . . . . 64.34 113.473 -175.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.28 -34.49 20.27 Favored Glycine 0 N--CA 1.419 -2.46 0 C-N-CA 119.799 -1.191 . . . . 61.13 110.874 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -84.09 -43.56 14.94 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.776 0.798 . . . . 74.43 109.548 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -149.09 132.87 16.96 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 106.561 -1.644 . . . . 71.41 106.561 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 596' ' ' SER . . . -61.98 -60.82 7.43 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 124.006 0.816 . . . . 73.55 111.988 -173.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.447 HD11 HG21 ' A' ' 676' ' ' ILE . 6.5 mp -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.163 -1.051 . . . . 74.31 108.163 176.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.495 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 79.71 48.74 6.48 Favored Glycine 0 N--CA 1.402 -3.579 0 CA-C-N 114.421 -1.263 . . . . 52.42 109.986 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.67 151.14 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 N-CA-C 106.625 -1.621 . . . . 73.34 106.625 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.7 m -113.43 134.02 54.88 Favored 'General case' 0 N--CA 1.406 -2.626 0 N-CA-C 107.177 -1.416 . . . . 70.51 107.177 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.463 HG11 ' CD2' ' A' ' 642' ' ' LEU . 2.9 m -124.55 160.75 28.92 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 CA-C-O 121.33 0.586 . . . . 74.44 111.805 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.458 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.5 153.06 36.63 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.835 -1.075 . . . . 74.42 109.452 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -124.85 139.38 11.68 Favored Glycine 0 C--N 1.275 -2.831 0 C-N-CA 119.894 -1.146 . . . . 63.34 111.792 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -123.58 140.33 53.11 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 120.969 0.414 . . . . 74.21 111.37 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.531 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 55.3 ttp180 -129.7 125.74 36.67 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.215 -0.661 . . . . 73.11 109.215 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 N--CA 1.421 -1.901 0 N-CA-C 108.043 -1.095 . . . . 72.43 108.043 178.799 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.038 0 CA-C-O 121.121 0.486 . . . . 70.25 111.363 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 6.4 p-10 -85.14 143.33 28.89 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.929 -0.767 . . . . 72.5 108.929 177.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 74.4 mt -90.97 -10.89 40.7 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.991 -0.744 . . . . 64.1 108.991 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 94.17 -167.42 27.75 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.023 -0.99 . . . . 52.54 111.925 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 42.9 mm -99.53 136.34 31.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.509 -0.923 . . . . 61.24 108.509 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 94.9 m-85 -128.32 147.25 50.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 123.309 0.381 . . . . 73.5 110.445 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.455 ' HA ' HG12 ' A' ' 605' ' ' VAL . 62.6 t -68.9 126.68 29.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 109.137 -0.69 . . . . 62.31 109.137 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -98.68 -42.78 7.08 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 120.786 0.327 . . . . 70.32 111.236 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 31.2 t -149.68 145.03 26.49 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.822 -0.436 . . . . 72.52 109.822 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.53 129.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 108.963 -0.754 . . . . 63.25 108.963 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.58 120.26 39.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 109.246 -0.65 . . . . 70.23 109.246 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -68.8 128.63 37.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.022 -0.535 . . . . 70.13 110.2 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 103.92 -8.19 49.86 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 110.881 -0.887 . . . . 75.34 110.881 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -74.67 146.59 35.71 Favored Glycine 0 N--CA 1.433 -1.544 0 N-CA-C 110.69 -0.964 . . . . 51.1 110.69 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.53 84.18 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.964 0.382 . . . . 63.54 111.395 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.26 70.63 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-O 121.398 0.618 . . . . 72.34 109.853 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 -52.16 18.88 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.808 -1.087 . . . . 65.32 109.603 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.73 -50.86 39.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.625 0.602 . . . . 72.41 112.625 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -79.35 -51.21 9.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 72.14 112.567 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -82.73 -41.96 8.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.585 -0.734 . . . . 74.32 114.788 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 64.34 79.08 0.27 Allowed 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.43 0.633 . . . . 74.44 111.153 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.57 -178.21 4.33 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.92 -0.582 . . . . 60.3 110.125 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 682' ' ' ARG . 17.4 ptp180 -129.28 168.35 16.35 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.631 -176.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.3 t -83.0 152.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.279 -1.008 . . . . 61.35 108.279 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 62.8 31.62 16.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 122.35 1.072 . . . . 71.44 109.26 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.657 ' OD2' ' HB ' ' A' ' 680' ' ' VAL . 5.5 t70 -97.41 144.14 27.44 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 106.87 -1.53 . . . . 72.14 106.87 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.19 115.43 28.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.921 0.391 . . . . 75.13 110.782 -169.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.463 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.3 mp -75.49 124.73 27.68 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.507 0.723 . . . . 74.45 112.365 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.2 mm -102.39 -54.72 6.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.47 -0.786 . . . . 72.42 111.83 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.471 ' HB3' HD12 ' A' ' 679' ' ' ILE . . . -141.04 157.23 45.6 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.923 -0.581 . . . . 75.33 111.487 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.07 131.02 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 115.63 -0.714 . . . . 64.43 110.317 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.529 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 81.9 m-20 52.67 22.76 2.37 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.963 1.468 . . . . 65.03 114.963 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.7 -12.49 56.48 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.749 -0.738 . . . . 74.31 112.911 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -101.74 126.39 48.59 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 109.51 -0.552 . . . . 73.14 109.51 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 52.8 p -84.88 130.07 34.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.003 0.43 . . . . 74.42 111.962 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 658' ' ' ALA . 1.7 pp -110.94 0.56 17.11 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 112.783 0.66 . . . . 72.31 112.783 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 56.1 tp -80.39 82.99 6.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.654 0.74 . . . . 71.44 109.816 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.1 0.02 OUTLIER Glycine 0 C--N 1.302 -1.334 0 CA-C-N 114.605 -1.18 . . . . 53.32 110.343 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.5 OUTLIER -161.21 179.77 8.09 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.425 -1.324 . . . . 74.43 107.425 -177.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.421 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -74.1 164.65 26.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.762 0.315 . . . . 34.41 111.006 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.531 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 10.2 m120 -62.19 -47.25 85.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.608 . . . . 75.44 110.734 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 10.4 pt20 -61.37 -40.26 93.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.863 -0.608 . . . . 75.54 110.915 178.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . 0.421 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 63.7 mm-40 -62.22 -45.2 94.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.142 0.496 . . . . 61.31 109.701 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . 0.468 ' HB1' HD13 ' A' ' 650' ' ' LEU . . . -59.69 -45.46 92.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.145 -0.934 . . . . 71.34 111.189 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.691 ' HB3' HD22 ' B' ' 782' ' ' LEU . 34.1 mtm -73.66 -28.33 61.71 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 119.569 -0.853 . . . . 75.51 112.51 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 20.0 mm-40 -65.15 -39.05 92.46 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.76 -0.83 . . . . 75.42 108.76 171.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.2 m -61.02 -42.16 97.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.359 -0.837 . . . . 64.44 109.285 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 -53.35 59.23 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.474 -0.33 . . . . 71.21 110.423 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 659' ' ' MET . 83.8 mtp180 -54.6 -44.96 73.5 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.835 0.709 . . . . 72.3 110.671 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.9 -50.34 56.79 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.689 -0.687 . . . . 70.22 111.22 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 19.3 m -68.39 -36.98 79.94 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 111.711 0.263 . . . . 74.25 111.711 -173.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.607 ' SD ' HG22 ' B' ' 784' ' ' ILE . 20.0 ptm -70.54 -23.67 62.67 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.76 -0.376 . . . . 73.31 110.917 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 45.2 t -92.7 -57.1 2.77 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 116.402 -0.363 . . . . 71.34 110.097 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 59.7 m -67.46 -53.07 32.09 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.879 -0.601 . . . . 71.32 111.522 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.85 -41.31 21.19 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.541 -0.464 . . . . 74.21 111.487 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -52.2 -51.16 43.13 Favored Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.406 0.441 . . . . 74.31 113.812 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -75.15 -7.91 55.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.441 0.534 . . . . 75.12 112.441 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.57 -46.19 6.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.443 0.64 . . . . 72.25 109.729 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -70.14 -31.01 68.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.418 -0.81 . . . . 71.2 110.347 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.0 -22.73 37.91 Favored Glycine 0 C--O 1.238 0.369 0 N-CA-C 110.933 -0.867 . . . . 71.44 110.933 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 20.9 ptp -145.66 154.87 42.58 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 107.818 -1.178 . . . . 71.01 107.818 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.529 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 9.5 tt -110.4 130.21 64.09 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-O 121.64 0.733 . . . . 52.32 110.623 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -96.78 128.64 43.93 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 114.838 -1.074 . . . . 61.3 108.913 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 678' ' ' LEU . 0.7 OUTLIER -130.19 126.14 36.69 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-O 121.506 0.67 . . . . 64.24 111.194 177.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 644' ' ' ALA . 88.1 mt -107.41 120.82 59.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-N 114.577 -1.192 . . . . 62.24 108.446 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.657 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.3 m -123.19 155.61 29.1 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.493 0 CA-C-N 115.126 -0.943 . . . . 73.42 110.234 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.739 0.781 . . . . 71.31 111.624 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 637' ' ' ARG . 8.2 tpp180 . . . . . 0 N--CA 1.41 -2.428 0 CA-C-N 114.711 -1.131 . . . . 73.24 109.908 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 108.591 -0.892 . . . . 63.11 108.591 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.8 mt-10 -141.08 131.92 25.89 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.785 0.834 . . . . 62.3 111.17 -177.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.691 HD22 ' HB3' ' A' ' 659' ' ' MET . 44.5 tp -134.78 133.4 39.81 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 115.566 -0.743 . . . . 71.2 110.248 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.63 128.58 51.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.395 -0.965 . . . . 65.03 108.395 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.607 HG22 ' SD ' ' A' ' 666' ' ' MET . 18.6 pt . . . . . 0 N--CA 1.418 -2.066 0 CA-C-N 116.867 -0.151 . . . . 63.31 110.954 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 109.922 -0.399 . . . . 63.44 109.922 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . 0.414 ' CE2' HG13 ' A' ' 643' ' ' ILE . 77.4 m-85 -97.09 137.65 35.82 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.475 0.917 . . . . 71.32 113.475 -174.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.66 132.89 41.24 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 115.033 -0.985 . . . . 73.32 108.946 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 62.8 m -109.47 122.49 47.51 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 115.802 -0.635 . . . . 72.44 109.507 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -117.59 146.83 43.36 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.825 -0.435 . . . . 62.51 109.825 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.79 132.98 53.9 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.119 0.485 . . . . 75.11 110.491 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.518 ' HB ' HG23 ' A' ' 676' ' ' ILE . 61.7 t -125.18 117.79 25.4 Favored Pre-proline 0 C--N 1.282 -2.329 0 CA-C-N 115.503 -0.771 . . . . 65.24 108.979 -173.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.08 146.58 25.68 Favored 'Trans proline' 0 N--CA 1.435 -1.936 0 N-CA-C 109.072 -1.165 . . . . 63.31 109.072 173.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.52 73.51 5.07 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.944 0.878 . . . . 70.43 110.716 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -86.21 -89.25 0.12 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 114.606 -1.179 . . . . 74.12 112.799 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -88.75 -10.47 48.17 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 109.062 -0.718 . . . . 75.53 109.062 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 40.3 m -71.85 93.24 1.3 Allowed 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 122.23 1.014 . . . . 72.3 108.951 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 598' ' ' SER . . . -155.64 -29.96 0.03 OUTLIER Glycine 0 C--N 1.282 -2.451 0 N-CA-C 108.242 -1.943 . . . . 51.15 108.242 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 597' ' ' GLY . 14.4 m -68.44 -26.39 65.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.393 1.092 . . . . 62.23 108.426 173.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -137.58 -177.56 4.85 Favored 'General case' 0 N--CA 1.4 -2.941 0 N-CA-C 104.77 -2.307 . . . . 64.04 104.77 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -77.61 -55.91 4.06 Favored Glycine 0 C--N 1.274 -2.875 0 N-CA-C 109.412 -1.475 . . . . 72.23 109.412 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 676' ' ' ILE . 21.5 mt -122.87 -43.63 2.23 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.975 -1.12 . . . . 75.11 107.975 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.612 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 110.14 47.84 0.8 Allowed Glycine 0 N--CA 1.399 -3.778 0 N-CA-C 109.253 -1.539 . . . . 51.32 109.253 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.9 t -138.47 152.5 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 107.547 -1.279 . . . . 61.33 107.547 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 21.5 m -109.97 132.85 53.78 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 621' ' ' VAL . 3.3 m -124.4 163.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.739 0.781 . . . . 73.0 111.283 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 781' ' ' GLU . 22.9 pttp -149.08 153.43 37.79 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 114.652 -1.158 . . . . 74.35 107.957 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.11 153.79 17.28 Favored Glycine 0 C--N 1.265 -3.415 0 C-N-CA 119.032 -1.556 . . . . 65.11 111.723 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' A' ' 608' ' ' ASN . 9.4 m120 -122.83 128.49 50.47 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.665 0.745 . . . . 64.12 109.939 176.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 45.5 ttp180 -129.43 125.79 37.31 Favored 'General case' 0 C--N 1.278 -2.504 0 N-CA-C 107.317 -1.364 . . . . 71.43 107.317 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.41 -2.441 0 N-CA-C 109.026 -0.731 . . . . 71.42 109.026 -179.303 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 108.59 -0.893 . . . . 64.13 108.59 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.538 ' CG ' ' HA ' ' A' ' 654' ' ' ALA . 3.8 m-20 -98.48 151.06 21.01 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.838 -1.171 . . . . 65.34 107.838 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.53 -23.29 20.96 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.3 -1.0 . . . . 74.22 108.3 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 117.57 -160.0 13.86 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 114.754 -1.112 . . . . 61.44 110.884 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.415 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.4 mm -110.34 136.62 45.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 108.609 -0.886 . . . . 72.22 108.609 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 96.0 m-85 -125.2 145.99 49.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.886 0.374 . . . . 61.42 111.661 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.531 ' HA ' HG12 ' A' ' 605' ' ' VAL . 87.5 t -68.87 139.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 172.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -120.68 -37.14 3.05 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 116.025 -0.534 . . . . 60.12 112.115 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.4 t -148.64 136.78 21.0 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.757 -0.831 . . . . 74.41 108.757 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.0 mp -100.26 127.5 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.612 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 73.9 mt -89.11 121.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 107.741 -1.207 . . . . 72.33 107.741 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . 0.489 ' O ' ' HE3' ' A' ' 632' ' ' LYS . 3.8 p-10 -58.2 -21.47 47.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.503 0.557 . . . . 71.42 112.503 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 625' ' ' ILE . . . -96.95 67.15 0.89 Allowed Glycine 0 N--CA 1.428 -1.837 0 CA-C-N 115.864 -0.607 . . . . 71.34 111.749 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -158.62 142.87 8.75 Favored Glycine 0 N--CA 1.417 -2.58 0 C-N-CA 120.199 -1.0 . . . . 62.31 112.078 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.29 -29.69 70.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.956 0.407 . . . . 64.12 110.605 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.05 90.68 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 121.555 0.693 . . . . 71.12 109.542 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 635' ' ' ARG . 14.8 m -67.3 -42.9 82.94 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 113.754 -1.566 . . . . 73.02 110.717 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 626' ' ' ASN . 34.0 mmtp -75.1 -51.56 13.18 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.052 -0.522 . . . . 71.15 112.386 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.96 -52.05 8.79 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.223 0.823 . . . . 63.32 113.223 -174.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.59 -16.72 54.5 Favored Glycine 0 C--O 1.243 0.711 0 C-N-CA 120.704 -0.76 . . . . 41.41 113.063 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 631' ' ' SER . 30.5 ttm180 66.79 -60.69 0.34 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.656 1.582 . . . . 72.03 113.716 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 95.1 mt 62.13 -173.63 0.14 Allowed 'General case' 0 C--O 1.252 1.202 0 C-N-CA 123.476 0.71 . . . . 72.32 110.399 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.46 HH11 ' CG ' ' A' ' 640' ' ' ASP . 0.6 OUTLIER -155.21 173.12 17.07 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.581 -0.525 . . . . 70.54 109.581 176.265 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 84.9 t -80.12 147.05 6.79 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 109.117 -0.697 . . . . 65.25 109.117 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 66.11 35.39 6.22 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.086 -1.45 . . . . 63.52 107.086 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.492 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.9 t0 -94.35 130.4 40.68 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.233 -1.348 . . . . 75.24 108.911 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 681' ' ' ALA . 21.8 tp60 -86.09 110.39 19.5 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 123.413 0.446 . . . . 64.33 111.996 -172.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.4 HD11 HG23 ' A' ' 621' ' ' VAL . 7.3 mp -76.09 120.22 21.09 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 109.162 -0.681 . . . . 62.32 109.162 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.414 HG13 ' CE2' ' A' ' 586' ' ' PHE . 36.5 mm -102.2 -59.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 115.503 -0.772 . . . . 72.33 111.098 -174.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.48 137.06 39.97 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.206 -0.906 . . . . 72.24 108.746 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.547 HG11 HD23 ' A' ' 662' ' ' LEU . 34.5 m -117.45 125.02 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.306 1.051 . . . . 74.21 112.124 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.441 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 42.5 t30 52.91 38.29 26.56 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 126.642 1.977 . . . . 62.14 113.135 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.68 -3.32 60.92 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.941 -1.027 . . . . 74.3 114.167 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.96 134.81 55.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 117.445 0.622 . . . . 61.53 111.299 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . 0.487 ' C ' HD12 ' A' ' 650' ' ' LEU . 48.4 m -83.24 144.76 29.54 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.473 0.916 . . . . 52.33 113.473 -175.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.513 HD11 HG22 ' A' ' 645' ' ' VAL . 6.8 mp -124.92 19.63 8.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.722 -0.672 . . . . 73.54 110.604 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.38 96.69 5.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 112.546 0.573 . . . . 65.43 112.546 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.86 -30.9 3.16 Favored Glycine 0 N--CA 1.431 -1.681 0 C-N-CA 120.271 -0.966 . . . . 71.03 112.869 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.49 154.14 40.04 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 120.769 0.319 . . . . 74.12 111.163 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.538 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -66.2 161.93 21.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 61.44 111.988 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.85 -48.3 51.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 123.589 0.556 . . . . 71.22 112.283 -178.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.1 pt20 -68.45 -38.58 81.24 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.879 -0.6 . . . . 71.3 112.594 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 18.5 mm-40 -64.36 -39.43 93.87 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.264 -1.013 . . . . 75.45 108.264 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.58 79.73 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.222 -1.354 . . . . 73.31 110.098 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.8 mtt -60.48 -40.47 91.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.281 0.475 . . . . 75.35 112.281 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 23.4 mm-40 -62.96 -44.97 94.61 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.907 0.384 . . . . 71.05 110.467 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 85.1 m -66.43 -43.59 85.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.014 -0.736 . . . . 73.32 109.014 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.547 HD23 HG11 ' A' ' 645' ' ' VAL . 0.7 OUTLIER -59.09 -56.01 27.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.063 -0.971 . . . . 74.44 112.375 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.41 ' N ' HD13 ' A' ' 662' ' ' LEU . 82.1 mtp180 -58.98 -42.3 89.63 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.267 0.556 . . . . 74.53 110.786 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.98 -50.45 55.62 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.104 -0.953 . . . . 73.25 111.769 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 669' ' ' GLU . 25.2 m -77.09 -29.02 54.75 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.73 -0.606 . . . . 71.11 111.564 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -75.65 -27.91 58.56 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.778 -0.769 . . . . 62.1 110.599 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 23.3 t -93.03 -56.23 3.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.432 -0.349 . . . . 74.43 110.448 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.4 m -64.77 -56.09 15.73 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.472 -0.331 . . . . 64.14 111.362 -175.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 665' ' ' SER . 39.7 mm-40 -74.3 -23.22 59.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.192 0.52 . . . . 54.24 110.24 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.49 -55.3 26.24 Favored Glycine 0 CA--C 1.498 -0.996 0 N-CA-C 111.114 -0.794 . . . . 64.34 111.114 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.2 -26.93 62.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.806 0.336 . . . . 70.42 110.527 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -57.11 -56.06 26.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.487 0.715 . . . . 72.23 110.005 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . 0.455 HH12 ' HB2' ' A' ' 677' ' ' GLN . 71.0 mtp180 -76.4 -39.92 52.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.477 0.656 . . . . 73.04 109.815 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.97 43.26 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.511 -1.436 . . . . 71.51 109.511 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.6 ptm -144.86 153.37 41.52 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.497 -0.851 . . . . 62.32 108.821 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.661 HG21 HD21 ' A' ' 601' ' ' LEU . 10.9 tt -115.28 144.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 CA-C-N 115.421 -0.809 . . . . 54.1 111.009 -176.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . 0.455 ' HB2' HH12 ' A' ' 673' ' ' ARG . 35.1 tt0 -108.87 138.7 44.79 Favored 'General case' 0 C--O 1.196 -1.729 0 N-CA-C 109.35 -0.611 . . . . 65.3 109.35 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -128.47 123.07 32.7 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 121.626 -0.671 . . . . 62.22 109.49 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 679' ' ' ILE . 2.5 mp -106.08 115.92 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.69 0 N-CA-C 106.547 -1.649 . . . . 64.24 106.547 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.4 m -123.03 152.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.736 0 N-CA-C 109.015 -0.735 . . . . 65.03 109.015 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 641' ' ' GLN . . . -111.67 126.02 54.58 Favored 'General case' 0 C--N 1.271 -2.819 0 N-CA-C 106.649 -1.611 . . . . 64.21 106.649 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? . . . . . 0 N--CA 1.411 -2.381 0 C-N-CA 118.838 -1.145 . . . . 72.43 108.485 -176.257 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.432 -1.364 0 CA-C-O 121.96 0.886 . . . . 35.31 113.212 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 606' ' ' LYS . 25.6 mt-10 -128.46 147.3 50.66 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 125.437 1.495 . . . . 72.25 109.745 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 663' ' ' ARG . 0.2 OUTLIER -146.41 134.58 21.65 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.091 -1.448 . . . . 73.24 107.091 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . 0.404 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -109.29 125.43 66.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.787 -0.82 . . . . 55.22 108.787 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.488 ' CG2' HD11 ' A' ' 662' ' ' LEU . 12.2 pt . . . . . 0 N--CA 1.391 -3.406 0 N-CA-C 107.419 -1.326 . . . . 62.35 107.419 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.438 -1.053 0 CA-C-O 120.634 0.254 . . . . 55.35 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -95.8 121.73 37.84 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.97 -0.559 . . . . 71.2 109.723 175.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.4 mp -121.91 147.24 46.26 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.642 -0.503 . . . . 53.4 109.642 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 56.6 m -114.24 121.37 43.51 Favored 'General case' 0 N--CA 1.407 -2.578 0 N-CA-C 108.91 -0.774 . . . . 75.4 108.91 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.89 129.81 53.17 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.095 -0.706 . . . . 63.54 109.095 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -111.93 123.41 50.2 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.149 -1.056 . . . . 75.52 108.149 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 676' ' ' ILE . 79.2 t -122.24 116.97 29.54 Favored Pre-proline 0 C--N 1.279 -2.477 0 CA-C-N 115.257 -0.883 . . . . 75.4 110.109 -171.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 58.4 Cg_endo -77.38 142.4 21.1 Favored 'Trans proline' 0 N--CA 1.428 -2.346 0 C-N-CA 121.141 1.227 . . . . 75.42 109.632 174.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -78.38 78.5 4.85 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.472 0.653 . . . . 74.11 109.42 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.54 -92.92 0.12 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.962 -1.017 . . . . 75.53 110.858 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.6 93.05 4.21 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 107.534 -1.284 . . . . 73.13 107.534 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.27 41.24 0.32 Allowed 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 105.613 -1.995 . . . . 75.11 105.613 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.87 -28.76 33.77 Favored Glycine 0 C--N 1.29 -2.023 0 CA-C-N 113.46 -1.7 . . . . 55.4 111.274 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 46.3 p -71.69 -33.0 68.44 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.982 0.896 . . . . 71.14 110.268 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.405 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -150.62 119.94 6.85 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.779 -1.563 . . . . 60.03 106.779 175.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -44.4 -49.35 8.4 Favored Glycine 0 N--CA 1.478 1.497 0 O-C-N 124.653 1.221 . . . . 60.14 113.624 -173.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.596 HD13 ' HE3' ' A' ' 666' ' ' MET . 9.8 mp -122.8 -32.6 3.51 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.623 . . . . 65.14 109.824 171.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.405 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 92.62 41.21 4.81 Favored Glycine 0 N--CA 1.4 -3.723 0 CA-C-N 114.569 -1.196 . . . . 71.35 111.412 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.8 t -127.73 151.54 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 N-CA-C 106.772 -1.566 . . . . 64.53 106.772 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.2 m -116.73 133.52 55.91 Favored 'General case' 0 N--CA 1.406 -2.634 0 N-CA-C 107.719 -1.215 . . . . 71.2 107.719 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.502 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.3 m -125.88 161.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.653 0 CA-C-N 115.841 -0.618 . . . . 60.11 112.037 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -150.88 154.3 36.95 Favored 'General case' 0 C--N 1.278 -2.523 0 CA-C-N 115.119 -0.946 . . . . 62.43 108.868 174.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -103.87 129.66 9.95 Favored Glycine 0 C--N 1.292 -1.89 0 C-N-CA 118.583 -1.77 . . . . 52.13 111.634 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -95.6 141.69 28.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 71.11 108.894 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.501 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 59.2 ttp180 -134.12 134.91 42.78 Favored 'General case' 0 N--CA 1.417 -2.075 0 N-CA-C 107.823 -1.177 . . . . 72.44 107.823 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.284 -2.251 0 N-CA-C 108.464 -0.939 . . . . 65.45 108.464 175.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 108.473 -0.936 . . . . 62.12 108.473 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.4 p-10 -84.71 151.07 24.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.844 -0.428 . . . . 73.51 109.844 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 89.3 mt -99.56 -11.1 21.3 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.679 -0.86 . . . . 70.44 108.679 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 106.69 -165.2 13.38 Favored Glycine 0 C--N 1.308 -0.998 0 CA-C-N 115.087 -0.961 . . . . 74.3 112.676 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.427 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 47.9 mm -103.21 126.86 57.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 109.199 -0.667 . . . . 71.51 109.199 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -128.3 153.71 46.7 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.031 0.443 . . . . 74.4 110.616 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 605' ' ' VAL . 58.3 t -68.77 138.27 22.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 115.569 -0.741 . . . . 55.21 110.01 174.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -107.79 -45.58 3.98 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.823 -0.626 . . . . 74.54 110.288 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 43.0 p -149.07 144.92 26.98 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.249 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -99.41 129.64 49.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.004 -0.739 . . . . 70.41 109.004 176.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 74.7 mt -87.35 125.79 41.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 108.557 -0.905 . . . . 42.4 108.557 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.24 82.02 8.18 Favored 'General case' 0 C--N 1.292 -1.891 0 C-N-CA 120.341 -0.544 . . . . 62.43 109.614 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 167.08 33.32 0.02 OUTLIER Glycine 0 C--N 1.315 -0.607 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.509 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -137.53 156.21 23.44 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.847 -0.901 . . . . 72.21 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.37 95.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.941 0.37 . . . . 73.23 111.765 -176.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 601' ' ' LEU . . . -65.48 -36.27 83.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.508 0.671 . . . . 53.01 109.892 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 42.0 t -64.68 -48.32 75.18 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 114.058 -1.428 . . . . 54.12 110.173 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -74.38 -51.07 16.12 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.898 0.703 . . . . 72.34 112.898 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.84 -48.85 15.5 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 119.721 -0.792 . . . . 72.22 112.084 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -76.35 -42.84 21.96 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.837 -0.697 . . . . 51.41 113.74 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 60.32 82.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.326 0.584 . . . . 55.5 111.161 -176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.4 166.65 20.23 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.972 -0.558 . . . . 75.12 110.711 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.7 mpt_? -107.88 167.27 10.1 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.733 -1.21 . . . . 64.34 107.733 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.13 139.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 N-CA-C 107.911 -1.144 . . . . 72.23 107.911 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 66.71 26.21 9.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.491 1.116 . . . . 72.25 109.637 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.33 142.1 32.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.541 -1.209 . . . . 72.24 108.035 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -88.32 117.32 27.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.029 0.532 . . . . 73.44 111.77 -172.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.502 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.3 mp -81.29 131.41 35.29 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.574 -0.528 . . . . 65.12 109.574 176.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 651' ' ' LEU . 42.9 mm -113.51 -57.01 4.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 CA-C-O 121.513 0.673 . . . . 72.53 111.584 -173.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 679' ' ' ILE . . . -140.95 150.28 42.92 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.622 -0.717 . . . . 71.55 109.559 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.407 HG12 HD22 ' A' ' 650' ' ' LEU . 11.5 p -140.14 137.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 121.096 0.474 . . . . 63.21 111.937 -177.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.53 14.67 6.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.941 1.696 . . . . 54.4 111.189 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.2 -5.7 52.87 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.692 -0.766 . . . . 71.31 112.022 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -108.0 132.54 53.42 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.097 0.475 . . . . 61.32 110.531 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -90.28 138.77 31.26 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.339 -0.392 . . . . 55.14 110.008 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.4 pt? -129.25 10.44 5.79 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.196 0.522 . . . . 74.53 110.681 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.458 HD22 HG23 ' A' ' 643' ' ' ILE . 54.5 tp -73.64 93.1 2.02 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-N 115.435 -0.802 . . . . 70.15 109.687 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.32 -25.86 0.68 Allowed Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.496 -0.859 . . . . 64.32 112.312 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -84.66 167.28 16.34 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.661 -0.415 . . . . 74.54 110.123 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -67.94 164.47 19.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.852 -0.158 . . . . 62.13 110.757 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.665 ' O ' ' HG3' ' A' ' 659' ' ' MET . 94.6 m-20 -59.28 -49.02 79.44 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.006 0.743 . . . . 64.5 113.006 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -34.85 78.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.23 0.538 . . . . 74.33 110.483 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 24.0 mm-40 -66.35 -48.38 70.38 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.155 -0.929 . . . . 73.2 108.616 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.24 94.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.72 -1.127 . . . . 73.51 111.255 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 80.7 mtp -64.63 -38.04 89.63 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.65 -0.25 . . . . 73.24 110.973 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.07 -44.61 75.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 N-CA-C 108.946 -0.761 . . . . 74.12 108.946 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.7 m -58.26 -41.7 84.86 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.387 0.613 . . . . 74.25 109.956 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 666' ' ' MET . 43.6 tp -66.6 -56.79 9.11 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.856 -1.066 . . . . 73.45 112.674 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 659' ' ' MET . 15.4 ptm180 -63.99 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.048 0.451 . . . . 71.41 111.151 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -65.35 -50.88 63.92 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 115.792 -0.64 . . . . 75.23 111.255 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 35.8 p -75.59 -36.35 60.36 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.832 -0.747 . . . . 61.23 111.704 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.596 ' HE3' HD13 ' A' ' 601' ' ' LEU . 3.4 ppp? -70.59 -26.87 63.72 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.214 -0.594 . . . . 64.14 111.584 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 40.3 t -93.03 -55.99 3.14 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 116.422 -0.354 . . . . 72.12 110.768 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 96.7 m -66.42 -43.72 84.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.534 0.568 . . . . 70.13 112.534 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -100.34 -5.42 27.38 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.617 -0.433 . . . . 63.11 110.991 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.75 -68.33 1.7 Allowed Glycine 0 C--O 1.251 1.184 0 N-CA-C 109.522 -1.431 . . . . 72.1 109.522 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -81.73 70.19 8.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.712 1.244 . . . . 54.43 109.794 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -164.1 -39.29 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.609 -1.632 . . . . 64.24 108.481 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . 0.565 ' NE ' ' HA ' ' A' ' 673' ' ' ARG . 3.9 mmp_? -98.21 -9.97 24.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.709 -0.678 . . . . 63.34 111.068 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 84.73 -38.18 2.94 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.047 -0.597 . . . . 44.31 111.705 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.423 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.6 ptm -133.83 141.76 47.57 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 109.544 -0.539 . . . . 73.51 109.544 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.562 HD13 HD11 ' A' ' 601' ' ' LEU . 9.5 tt -111.34 138.34 40.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 115.145 -0.934 . . . . 54.11 110.459 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -103.85 138.12 40.88 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.622 -0.717 . . . . 71.03 110.658 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 601' ' ' LEU . 1.6 mm? -129.32 131.99 47.03 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.423 -0.584 . . . . 74.44 109.423 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 644' ' ' ALA . 90.7 mt -119.45 116.73 51.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 108.893 -0.78 . . . . 64.2 108.893 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.8 158.9 37.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 114.639 -1.164 . . . . 64.14 109.883 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.24 124.49 48.0 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.055 -0.72 . . . . 63.01 109.055 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.45 ' O ' ' HD2' ' A' ' 682' ' ' ARG . 2.7 ppt_? . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 109.073 -0.714 . . . . 71.25 109.073 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 CA--C 1.465 -2.293 0 N-CA-C 108.948 -0.76 . . . . 61.54 108.948 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -105.85 140.98 38.04 Favored 'General case' 0 C--N 1.263 -3.155 0 CA-C-N 113.748 -1.569 . . . . 72.12 109.939 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.486 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.3 tm? -138.83 130.63 27.74 Favored 'General case' 0 N--CA 1.405 -2.719 0 N-CA-C 108.135 -1.061 . . . . 64.12 108.135 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -101.2 132.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 N-CA-C 109.292 -0.633 . . . . 71.42 109.292 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' B' ' 782' ' ' LEU . 25.0 pt . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 118.555 -0.736 . . . . 54.1 109.041 176.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 11.1 pt-20 . . . . . 0 C--O 1.24 0.576 0 N-CA-C 108.56 -0.904 . . . . 74.53 108.56 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -105.01 136.99 43.45 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -127.36 142.29 51.47 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.766 -0.828 . . . . 64.54 108.766 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 91.4 m -110.05 122.64 48.07 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.989 -0.55 . . . . 54.42 109.845 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.79 142.08 50.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.401 -0.592 . . . . 74.41 109.401 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -122.25 132.19 54.3 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.308 0.575 . . . . 72.12 109.891 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.438 ' HB ' HG23 ' A' ' 676' ' ' ILE . 71.5 t -121.15 117.57 30.59 Favored Pre-proline 0 C--N 1.285 -2.219 0 CA-C-N 115.175 -0.921 . . . . 64.5 109.205 -173.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.44 147.87 23.04 Favored 'Trans proline' 0 N--CA 1.434 -1.984 0 C-N-CA 121.278 1.319 . . . . 75.11 111.177 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . 0.414 ' HA ' ' OG ' ' A' ' 596' ' ' SER . 3.7 mm? -74.87 77.54 2.13 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.777 0.799 . . . . 72.44 110.124 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -108.68 -74.71 0.65 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.362 -1.29 . . . . 55.44 110.653 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.88 29.81 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.231 1.015 . . . . 73.13 110.75 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 593' ' ' LEU . 22.6 m -74.73 -5.01 40.86 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.252 -1.34 . . . . 73.51 112.387 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.27 -20.71 60.04 Favored Glycine 0 N--CA 1.419 -2.474 0 C-N-CA 120.063 -1.065 . . . . 74.33 110.505 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 50.8 m -76.12 -25.42 55.37 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.242 0.544 . . . . 63.4 110.257 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -165.97 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.909 -1.041 . . . . 63.24 109.638 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 171.55 -67.78 0.13 Allowed Glycine 0 C--N 1.293 -1.819 0 N-CA-C 107.737 -2.145 . . . . 74.5 107.737 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 630' ' ' ALA . 7.7 mp -109.37 -37.5 5.73 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.075 -1.083 . . . . 72.11 108.075 171.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 92.77 46.24 3.46 Favored Glycine 0 N--CA 1.405 -3.415 0 CA-C-N 114.365 -1.289 . . . . 44.05 110.136 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.7 t -133.95 152.5 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 106.735 -1.58 . . . . 74.32 106.735 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . 0.73 ' HB3' ' HE3' ' A' ' 622' ' ' LYS . 18.8 m -121.03 130.64 53.87 Favored 'General case' 0 N--CA 1.397 -3.11 0 N-CA-C 108.148 -1.056 . . . . 74.41 108.148 173.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 621' ' ' VAL . 4.5 m -123.43 156.96 29.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 115.781 -0.645 . . . . 63.22 110.935 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -149.74 153.83 37.52 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.896 -0.779 . . . . 65.42 108.896 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.29 156.58 17.26 Favored Glycine 0 N--CA 1.421 -2.335 0 C-N-CA 119.386 -1.388 . . . . 52.33 111.502 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -123.13 147.13 47.13 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.57 -0.53 . . . . 54.1 109.57 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 2.2 tmm_? -127.21 125.71 41.52 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.093 -1.077 . . . . 73.31 108.093 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.318 -0.779 0 N-CA-C 112.176 0.436 . . . . 74.54 112.176 -178.36 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.733 0 N-CA-C 108.962 -0.755 . . . . 73.31 108.962 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.9 p-10 -91.36 144.96 25.05 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.896 -1.122 . . . . 50.53 108.582 174.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -88.82 -2.68 58.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.418 0.628 . . . . 62.33 110.163 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.54 -161.16 18.88 Favored Glycine 0 C--N 1.294 -1.783 0 CA-C-N 115.287 -0.869 . . . . 35.24 111.633 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.67 130.62 66.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.485 -0.932 . . . . 51.44 108.485 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -125.96 149.13 49.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.657 0.265 . . . . 62.51 111.198 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.528 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.7 t -68.48 132.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.059 -0.719 . . . . 73.4 109.059 171.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.73 ' HE3' ' HB3' ' A' ' 604' ' ' SER . 14.0 pttp -109.35 -38.56 5.45 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 108.985 -0.746 . . . . 72.43 108.985 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 30.2 p -149.74 143.92 25.73 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.724 -0.671 . . . . 71.31 110.461 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.5 139.76 21.88 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 N-CA-C 108.658 -0.867 . . . . 63.23 108.658 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 84.2 mt -95.64 113.25 29.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 108.653 -0.869 . . . . 73.21 108.653 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -63.62 118.41 8.19 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.439 -0.8 . . . . 73.52 111.533 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.07 -13.93 23.86 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.49 -0.777 . . . . 31.45 111.303 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -66.32 152.66 52.19 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 121.219 -0.515 . . . . 64.31 112.311 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.18 76.51 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.765 0.317 . . . . 54.43 110.912 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.91 -26.6 63.29 Favored 'General case' 0 CA--C 1.491 -1.299 0 CA-C-O 121.334 0.588 . . . . 74.34 110.198 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 48.1 t -74.13 -52.27 13.07 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 114.847 -1.07 . . . . 75.45 109.184 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.15 -51.32 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.002 0.741 . . . . 71.43 113.002 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.04 -51.03 9.54 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.029 -0.668 . . . . 52.43 110.486 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -71.53 -42.73 54.86 Favored Glycine 0 CA--C 1.517 0.17 0 CA-C-N 115.261 -0.881 . . . . 41.24 114.22 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 635' ' ' ARG . 1.3 mmp_? 68.87 33.39 3.61 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.955 0.502 . . . . 74.53 111.654 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 170.82 5.11 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.214 0.45 . . . . 72.15 112.214 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -135.25 175.56 9.48 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.359 0.874 . . . . 72.12 113.359 -173.528 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 77.4 t -79.06 149.33 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.62 -0.881 . . . . 74.5 108.62 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.64 11.33 6.43 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.383 1.087 . . . . 75.01 109.103 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' ' 637' ' ' ARG . 13.6 t0 -69.34 121.43 16.89 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.43 -1.259 . . . . 72.34 107.88 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -81.57 111.01 17.48 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 122.957 0.503 . . . . 74.13 111.354 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.476 HD21 HG11 ' A' ' 605' ' ' VAL . 8.0 mp -76.75 122.6 24.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.897 0.38 . . . . 62.01 110.406 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.36 -52.58 6.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.388 -0.824 . . . . 75.1 109.993 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.23 148.13 42.68 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.395 -0.366 . . . . 31.21 110.313 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 678' ' ' LEU . 14.9 p -134.01 126.81 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-O 121.624 0.726 . . . . 60.22 111.385 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 54.06 34.09 19.12 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 126.089 1.756 . . . . 71.31 110.282 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.62 58.4 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.628 -0.796 . . . . 72.22 113.77 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -94.72 144.86 25.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 117.715 0.758 . . . . 72.44 109.598 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 23.1 t -91.31 141.51 28.7 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.566 0.698 . . . . 73.01 111.767 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.67 -167.42 1.29 Allowed 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.142 -1.799 . . . . 35.31 106.142 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 6.2 tt 71.78 -46.23 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.556 0.742 . . . . 73.11 112.284 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -71.05 -7.32 62.32 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 110.961 -0.855 . . . . 52.35 110.961 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -122.47 152.1 40.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 107.097 -1.446 . . . . 73.44 107.097 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.85 166.07 7.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.416 0.525 . . . . 45.44 112.416 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.32 -47.61 47.04 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.81 0.844 . . . . 74.14 112.581 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -60.9 -47.64 85.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.331 -0.849 . . . . 72.04 109.203 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -66.37 -40.79 89.96 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.964 -1.471 . . . . 63.04 110.008 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.18 68.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.981 -1.009 . . . . 54.31 110.957 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.457 ' SD ' HD23 ' B' ' 782' ' ' LEU . 61.9 mtt -61.8 -37.17 83.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 112.279 0.474 . . . . 73.14 112.279 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.15 -47.76 81.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 109.428 -0.582 . . . . 75.01 109.428 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 89.4 m -64.21 -45.18 89.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.474 -0.785 . . . . 62.14 109.358 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.448 ' HA ' HG11 ' A' ' 645' ' ' VAL . 1.1 tm? -55.56 -55.33 33.24 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.437 -1.256 . . . . 74.54 111.459 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.48 ' HD2' HD21 ' B' ' 782' ' ' LEU . 81.8 mtp180 -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.861 0.362 . . . . 64.52 110.822 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -61.91 -51.59 67.53 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 115.412 -0.813 . . . . 63.43 110.247 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 59.7 m -78.22 -30.29 48.77 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.643 0.608 . . . . 72.44 112.643 -174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.403 ' HA ' HD12 ' A' ' 676' ' ' ILE . 3.9 ppp? -74.96 -30.24 61.15 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.537 -0.865 . . . . 65.0 110.637 -177.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 16.4 t -92.92 -54.47 3.73 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 116.25 -0.432 . . . . 53.3 110.315 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 75.1 m -67.95 -57.14 6.69 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.963 0.411 . . . . 71.53 111.224 -175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.05 -18.72 38.69 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.023 -0.535 . . . . 74.23 111.153 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.44 19.85 Favored Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 111.354 -0.698 . . . . 74.43 111.354 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -71.96 -12.54 61.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.094 0.473 . . . . 75.5 111.641 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -82.22 -50.39 9.04 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 116.41 -0.359 . . . . 74.32 110.178 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.45 -10.16 59.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.001 0.741 . . . . 70.05 113.001 -176.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.14 -29.83 5.41 Favored Glycine 0 C--O 1.243 0.713 0 C-N-CA 120.362 -0.923 . . . . 71.33 112.409 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.54 157.18 46.25 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.069 -0.715 . . . . 73.11 109.069 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.438 HG23 ' HB ' ' A' ' 591' ' ' VAL . 10.1 tt -116.98 138.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 115.473 -0.785 . . . . 74.04 110.144 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.23 137.7 42.59 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.914 -0.585 . . . . 61.53 110.085 -177.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.2 mm? -130.41 130.2 44.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.937 -0.477 . . . . 72.22 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -109.07 117.95 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 106.831 -1.544 . . . . 64.11 106.831 170.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.505 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.7 m -123.59 153.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 CA-C-N 115.568 -0.742 . . . . 72.02 109.403 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.5 138.97 47.34 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.276 -0.42 . . . . 54.23 110.224 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . 0.465 ' HB3' ' NH2' ' A' ' 637' ' ' ARG . 2.1 ppt_? . . . . . 0 C--N 1.306 -1.317 0 C-N-CA 120.078 -0.649 . . . . 65.01 109.45 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 CA--C 1.471 -2.065 0 N-CA-C 107.569 -1.271 . . . . 53.15 107.569 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 56.6 mt-10 -109.98 136.36 49.37 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.233 -1.349 . . . . 64.2 109.853 -176.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.48 HD21 ' HD2' ' A' ' 663' ' ' ARG . 0.1 OUTLIER -126.86 129.44 48.25 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 107.342 -1.355 . . . . 75.15 107.342 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.81 127.5 57.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 C-N-CA 120.444 -0.502 . . . . 63.34 109.683 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 662' ' ' LEU . 28.0 pt . . . . . 0 N--CA 1.411 -2.412 0 CA-C-N 115.488 -0.778 . . . . 64.31 110.228 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.436 -1.127 0 N-CA-C 109.646 -0.502 . . . . 74.25 109.646 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' PHE . . . . . 0.421 ' CE2' HG21 ' A' ' 643' ' ' ILE . 9.6 m-30 -91.84 127.89 37.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.614 -0.721 . . . . 71.22 110.656 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 98.0 mt -104.6 131.68 51.73 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.759 -0.83 . . . . 64.4 108.759 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 41.7 m -105.86 121.59 44.37 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 115.528 -0.76 . . . . 75.1 109.473 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' PHE . . . . . 0.421 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 58.7 m-85 -120.91 129.54 53.52 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.989 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -112.12 117.89 33.87 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.89 -0.782 . . . . 71.44 108.89 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 676' ' ' ILE . 78.7 t -113.29 117.47 45.36 Favored Pre-proline 0 C--N 1.284 -2.247 0 CA-C-N 115.58 -0.736 . . . . 70.44 109.74 -176.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 71.4 Cg_endo -73.79 148.33 41.05 Favored 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 121.501 1.467 . . . . 74.24 111.303 178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.95 76.87 2.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.641 0.734 . . . . 72.32 110.395 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -102.82 -75.1 0.61 Allowed 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.93 -1.032 . . . . 70.0 111.132 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.36 20.0 2.56 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.519 0.728 . . . . 73.03 109.25 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 16.1 m -71.6 1.45 6.61 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 124.976 1.311 . . . . 71.32 114.216 -171.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.75 -28.99 33.36 Favored Glycine 0 N--CA 1.425 -2.088 0 C-N-CA 119.399 -1.381 . . . . 62.13 110.489 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.8 m -87.29 -47.04 9.15 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.895 0.855 . . . . 75.05 109.784 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -151.3 141.06 21.84 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 104.388 -2.449 . . . . 55.13 104.388 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.84 -57.54 18.29 Favored Glycine 0 C--N 1.288 -2.131 0 O-C-N 123.939 0.775 . . . . 64.31 112.307 -171.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 676' ' ' ILE . 6.4 mp -109.43 -36.51 5.97 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 107.841 -1.17 . . . . 70.02 107.841 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 88.64 50.73 3.26 Favored Glycine 1 N--CA 1.38 -5.077 0 N-CA-C 108.991 -1.644 . . . . 73.11 108.991 -177.279 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.03 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.745 0 N-CA-C 106.696 -1.594 . . . . 64.3 106.696 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 622' ' ' LYS . 39.4 m -115.27 124.61 51.77 Favored 'General case' 0 N--CA 1.38 -3.974 0 N-CA-C 107.358 -1.349 . . . . 63.23 107.358 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 621' ' ' VAL . 5.1 m -121.99 165.15 18.11 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 CA-C-N 116.092 -0.504 . . . . 64.44 109.935 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.534 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 3.5 ptpt -149.5 151.29 33.68 Favored 'General case' 0 C--N 1.268 -2.973 0 CA-C-N 115.359 -0.837 . . . . 75.25 108.889 177.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -110.44 111.04 2.96 Favored Glycine 0 N--CA 1.399 -3.774 0 N-CA-C 109.558 -1.417 . . . . 54.4 109.558 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.15 135.39 35.58 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 119.747 -0.781 . . . . 54.44 109.415 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -113.23 146.21 39.7 Favored 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 108.407 -0.96 . . . . 74.53 108.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 107.122 -1.436 . . . . 62.24 107.122 172.374 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.804 0 N-CA-C 106.885 -1.524 . . . . 65.21 106.885 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.57 155.62 23.18 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 120.005 -0.678 . . . . 64.02 110.855 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.48 -15.75 18.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.982 -1.118 . . . . 73.25 107.982 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 118.87 -149.82 18.12 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 114.715 -1.129 . . . . 75.13 112.066 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' ILE . . . . . 0.446 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.6 mm -128.1 126.26 65.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.441 -1.688 . . . . 65.34 106.441 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' PHE . . . . . 0.536 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 60.9 m-85 -128.87 147.19 50.8 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.836 0.35 . . . . 72.44 111.157 -173.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' VAL . . . . . 0.47 ' HA ' HG12 ' A' ' 605' ' ' VAL . 81.9 t -70.2 130.81 34.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 108.396 -0.965 . . . . 64.1 108.396 171.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -110.63 -31.1 7.34 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 117.83 -1.548 . . . . 74.53 110.714 176.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 23.4 p -149.46 137.99 20.87 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.524 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.9 mp -95.17 138.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 108.394 -0.965 . . . . 72.02 108.394 176.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 82.5 mt -88.71 110.77 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 N-CA-C 106.423 -1.695 . . . . 75.04 106.423 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -81.03 108.93 15.12 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 121.576 0.703 . . . . 75.14 111.285 -174.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.58 -27.44 2.48 Favored Glycine 0 N--CA 1.422 -2.249 0 CA-C-N 114.372 -1.286 . . . . 64.32 110.174 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -72.09 169.3 51.24 Favored Glycine 0 C--O 1.244 0.741 0 C-N-CA 121.379 -0.439 . . . . 43.2 112.575 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.97 74.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 111.895 0.332 . . . . 73.55 111.895 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -72.52 -26.65 61.84 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-O 121.532 0.682 . . . . 72.15 109.815 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.3 t -74.69 -52.02 12.73 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.614 -1.175 . . . . 70.3 109.416 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.54 -51.46 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 112.351 0.5 . . . . 71.4 112.351 -177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.61 -51.54 9.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.453 0.538 . . . . 75.04 112.453 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.25 -43.24 7.57 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.349 -0.929 . . . . 72.11 115.0 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.83 49.48 7.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.847 -1.538 . . . . 74.22 106.847 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 6.4 mp -67.24 154.53 41.07 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 115.908 -0.587 . . . . 73.24 110.63 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' ARG . . . . . 0.484 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 18.2 ptt180 -96.51 164.34 12.66 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 115.322 -0.854 . . . . 71.23 111.384 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.36 149.84 5.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 114.831 -1.077 . . . . 75.31 108.156 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 74.5 11.09 4.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.456 1.102 . . . . 55.31 111.845 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' ASP . . . . . 0.732 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 6.4 t70 -82.36 143.1 31.48 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 118.778 -1.169 . . . . 74.3 109.151 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -89.82 119.21 30.0 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.894 0.878 . . . . 73.54 111.583 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' LEU . . . . . 0.419 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -78.6 109.95 13.27 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.486 0.66 . . . . 73.4 110.843 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' ILE . . . . . 0.421 HG21 ' CE2' ' A' ' 586' ' ' PHE . 43.7 mm -89.41 -53.66 8.97 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 CA-C-N 115.288 -0.869 . . . . 75.35 110.997 -175.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' ALA . . . . . 0.497 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.96 153.6 46.95 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.206 -0.907 . . . . 73.31 110.63 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' ' 646' ' ' ASN . 13.1 p -138.31 131.52 40.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 116.091 -0.504 . . . . 73.41 110.022 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 645' ' ' VAL . 18.5 m120 60.7 23.44 13.3 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.445 1.098 . . . . 73.32 110.859 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.26 -19.31 53.2 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 115.512 -0.767 . . . . 75.54 113.107 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -86.17 132.71 33.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 117.293 0.546 . . . . 72.45 109.986 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.5 m -90.66 142.59 27.59 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 120.775 0.321 . . . . 72.35 110.973 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 650' ' ' LEU . 1.1 pt? -132.64 7.75 4.14 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 116.367 -0.379 . . . . 74.13 111.489 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' LEU . . . . . 0.415 HD22 HD12 ' A' ' 643' ' ' ILE . 57.3 tp -68.4 99.13 0.91 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.117 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 148.29 -21.34 1.38 Allowed Glycine 0 C--N 1.307 -1.071 0 C-N-CA 120.584 -0.817 . . . . 61.14 112.306 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.17 159.85 15.46 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.343 -0.614 . . . . 61.33 109.343 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.5 168.25 2.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.013 0.525 . . . . 55.3 112.235 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' ASN . . . . . 0.7 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.6 m120 -56.28 -49.63 73.69 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 123.428 0.455 . . . . 62.2 111.093 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -64.97 -48.58 73.49 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.952 -0.758 . . . . 73.02 108.952 -174.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.42 -47.78 72.4 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.959 -1.473 . . . . 74.23 110.067 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.67 97.93 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.475 -0.784 . . . . 75.4 111.063 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' MET . . . . . 0.7 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 76.9 mtp -63.93 -37.76 88.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.548 -0.296 . . . . 74.2 110.715 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -68.87 -41.9 77.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.301 -0.56 . . . . 75.11 110.763 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 90.1 m -58.71 -43.52 90.14 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.552 0.691 . . . . 73.21 109.519 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.57 -56.37 16.46 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.916 -1.038 . . . . 74.14 112.775 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 659' ' ' MET . 14.9 ptm180 -62.91 -30.89 71.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.197 0.443 . . . . 73.33 112.197 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -76.77 -45.29 29.57 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 112.217 0.451 . . . . 71.14 112.217 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 23.4 m -66.6 -39.79 88.57 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.137 -0.625 . . . . 52.32 109.995 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 676' ' ' ILE . 4.0 ppp? -68.9 -23.01 64.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.915 -0.584 . . . . 72.43 111.315 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 38.8 t -92.05 -56.13 3.19 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 115.904 -0.589 . . . . 71.32 109.759 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 39.2 m -69.94 -51.31 33.84 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.666 -0.697 . . . . 75.21 112.013 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.85 -19.18 26.24 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 120.927 0.394 . . . . 72.41 111.016 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -64.87 -60.73 6.55 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 111.116 -0.794 . . . . 65.15 111.116 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -84.13 76.67 10.06 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.411 0.624 . . . . 62.53 110.745 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 -31.1 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.747 1.619 . . . . 65.12 109.012 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -81.42 -27.6 34.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.355 -0.839 . . . . 74.31 110.42 171.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 100.12 -37.96 3.33 Favored Glycine 0 CA--C 1.5 -0.881 0 N-CA-C 110.275 -1.13 . . . . 73.43 110.275 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' MET . . . . . 0.412 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.2 ptp -136.38 157.71 46.15 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.348 -0.982 . . . . 75.13 108.348 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' ILE . . . . . 0.567 HD13 HD11 ' A' ' 601' ' ' LEU . 8.3 tt -110.7 132.38 59.29 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 121.393 0.616 . . . . 63.13 110.13 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -102.01 124.72 48.11 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 115.423 -0.808 . . . . 72.44 110.567 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.5 mm? -115.1 128.07 56.0 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.638 -0.875 . . . . 74.42 108.638 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' ILE . . . . . 0.497 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -107.98 116.93 52.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 106.71 -1.589 . . . . 64.24 106.71 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' VAL . . . . . 0.732 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 27.6 m -121.99 173.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.324 0 N-CA-C 108.983 -0.747 . . . . 74.35 108.983 -177.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.72 127.59 23.7 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.556 0.693 . . . . 74.32 112.426 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.419 -1.987 0 N-CA-C 109.16 -0.681 . . . . 73.13 109.16 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 780' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.7 mt-10 . . . . . 0 C--O 1.188 -2.167 0 N-CA-C 107.725 -1.213 . . . . 73.1 107.725 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 781' ' ' GLU . . . . . 0.534 ' OE2' ' HE2' ' A' ' 606' ' ' LYS . 4.1 mp0 -104.05 143.23 33.18 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.428 0.632 . . . . 62.14 112.126 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 782' ' ' LEU . . . . . 0.503 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.3 tm? -142.54 137.13 29.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 106.738 -1.579 . . . . 70.35 106.738 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 783' ' ' ILE . . . . . 0.431 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.3 mp -111.2 132.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.733 -0.84 . . . . 72.31 108.733 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 784' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' B' ' 782' ' ' LEU . 16.1 pt . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 117.727 -1.13 . . . . 73.54 111.27 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.956 0 N-CA-C 111.418 -0.673 . . . . 50.15 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 32.7 m -135.01 115.35 13.42 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.893 -0.78 . . . . 65.34 108.893 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -137.19 -66.02 0.52 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 120.641 0.258 . . . . 75.01 110.37 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -115.67 50.23 0.8 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.046 -0.821 . . . . 55.34 111.046 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 7.4 t -94.5 161.06 14.37 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.974 -0.38 . . . . 63.34 109.974 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -120.85 135.3 55.21 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 109.309 -0.626 . . . . 72.23 109.309 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -110.13 147.12 34.27 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.113 -0.699 . . . . 65.25 109.113 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -102.33 122.77 44.91 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.928 -0.397 . . . . 63.34 109.928 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.51 HD12 HH22 ' A' ' 637' ' ' ARG . 92.0 mt -112.16 137.12 50.69 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 108.828 -0.804 . . . . 63.44 108.828 177.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.4 m -112.29 121.88 46.14 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 115.527 -0.76 . . . . 73.14 109.804 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 636' ' ' LEU . 39.3 m-85 -109.37 138.16 46.13 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.357 -0.608 . . . . 73.21 109.357 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.88 118.87 33.66 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.877 -0.786 . . . . 71.33 108.877 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.512 ' HB ' HG23 ' A' ' 676' ' ' ILE . 96.8 t -116.63 116.72 38.58 Favored Pre-proline 0 C--N 1.277 -2.58 0 CA-C-N 115.195 -0.911 . . . . 74.41 109.123 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.8 145.2 22.55 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.153 1.236 . . . . 51.12 110.364 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.34 69.44 6.79 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.155 0.979 . . . . 73.2 110.217 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -106.47 -68.13 0.9 Allowed 'General case' 0 CA--C 1.485 -1.557 0 CA-C-N 113.929 -1.487 . . . . 74.33 108.105 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -85.27 71.99 10.78 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 106.282 -1.747 . . . . 74.22 106.282 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 28.0 t -135.19 129.6 34.01 Favored 'General case' 1 N--CA 1.379 -4.012 0 CA-C-N 112.996 -1.911 . . . . 73.35 106.085 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 133.57 -30.91 2.93 Favored Glycine 1 C--N 1.239 -4.818 0 N-CA-C 107.338 -2.305 . . . . 71.44 107.338 -174.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 13.2 m -63.27 -37.95 89.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 106.614 -1.624 . . . . 62.54 106.614 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -166.02 -177.2 4.09 Favored 'General case' 0 N--CA 1.404 -2.761 0 N-CA-C 102.194 -3.261 . . . . 54.44 102.194 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -72.84 -60.46 3.92 Favored Glycine 0 C--N 1.284 -2.329 0 N-CA-C 109.147 -1.581 . . . . 63.45 109.147 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.434 HD11 HD13 ' A' ' 676' ' ' ILE . 10.3 mp -118.83 -33.85 4.11 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 123.562 0.745 . . . . 44.3 109.525 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 96.31 41.27 3.74 Favored Glycine 0 N--CA 1.399 -3.785 0 CA-C-N 115.042 -0.981 . . . . 43.13 110.673 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.31 151.2 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.658 0 N-CA-C 107.313 -1.366 . . . . 62.4 107.313 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.0 m -114.9 130.85 56.98 Favored 'General case' 0 N--CA 1.403 -2.784 0 N-CA-C 107.318 -1.364 . . . . 43.52 107.318 173.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 642' ' ' LEU . 4.2 m -124.93 159.23 31.85 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 116.082 -0.508 . . . . 43.05 110.894 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 24.2 pttm -149.82 153.1 36.23 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 109.135 -0.691 . . . . 62.54 109.135 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.63 145.38 16.84 Favored Glycine 0 C--N 1.293 -1.826 0 C-N-CA 119.532 -1.318 . . . . 61.12 111.301 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -123.18 154.72 38.33 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.816 -0.809 . . . . 51.42 108.816 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.8 mtt85 -122.21 142.79 50.07 Favored 'General case' 0 CA--C 1.481 -1.71 0 N-CA-C 109.955 -0.387 . . . . 72.42 109.955 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 43.0 t -71.86 125.19 26.55 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 106.688 -1.597 . . . . 64.21 106.688 172.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.77 -20.28 36.17 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-O 121.301 0.572 . . . . 74.43 109.789 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -82.22 -51.24 8.12 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.818 -0.808 . . . . 65.31 108.818 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.478 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 3.0 t-20 -77.52 -19.34 55.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.072 -0.513 . . . . 61.12 111.384 -178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 61.8 m80 63.01 33.58 14.66 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.823 0.821 . . . . 71.21 110.463 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -142.08 155.65 45.38 Favored 'General case' 0 N--CA 1.423 -1.821 0 N-CA-C 107.836 -1.172 . . . . 54.11 107.836 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.5 p-10 -69.9 149.24 48.04 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.415 0.626 . . . . 70.44 111.928 -178.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -96.15 -8.38 33.36 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.125 -1.065 . . . . 64.3 108.125 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.78 -173.93 25.11 Favored Glycine 0 N--CA 1.429 -1.802 0 CA-C-N 114.605 -1.18 . . . . 73.5 112.029 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.95 131.8 40.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 109.519 -0.549 . . . . 62.33 109.519 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.09 151.8 48.14 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.346 -0.388 . . . . 75.35 110.231 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.489 ' HA ' HG12 ' A' ' 605' ' ' VAL . 48.2 t -71.41 138.41 21.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.253 -0.647 . . . . 72.11 109.253 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.484 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -114.49 -41.32 3.46 Favored 'General case' 0 C--N 1.286 -2.157 0 CA-C-N 116.326 -0.397 . . . . 71.22 111.338 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 42.8 t -148.94 138.4 21.76 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.641 -0.503 . . . . 62.43 109.641 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.58 130.04 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 N-CA-C 108.32 -0.993 . . . . 63.44 108.32 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 80.5 mt -89.76 112.33 24.39 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 N-CA-C 107.336 -1.357 . . . . 54.24 107.336 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -81.32 78.68 8.07 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-O 122.285 1.04 . . . . 73.23 109.741 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 165.14 48.4 0.02 OUTLIER Glycine 0 N--CA 1.415 -2.704 0 N-CA-C 108.509 -1.837 . . . . 71.24 108.509 -177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 632' ' ' LYS . . . -159.92 147.99 15.87 Favored Glycine 0 N--CA 1.426 -2.023 0 N-CA-C 109.274 -1.53 . . . . 70.44 109.274 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.73 61.37 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 114.299 1.222 . . . . 74.1 114.299 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -64.61 -30.77 71.79 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 121.301 0.572 . . . . 55.55 111.243 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.2 t -76.77 -48.22 19.33 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.228 -0.896 . . . . 72.33 108.827 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 628' ' ' GLY . 53.5 mtpt -64.21 -52.46 58.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.511 -0.768 . . . . 72.12 111.044 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -80.77 -52.35 7.62 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 112.463 0.542 . . . . 63.11 112.463 -177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -74.12 -42.41 36.36 Favored Glycine 0 CA--C 1.507 -0.433 0 CA-C-N 115.64 -0.709 . . . . 70.21 114.678 -171.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 63.25 32.48 14.85 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.908 0.354 . . . . 65.11 111.641 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 589' ' ' PHE 0.309 0.7 OUTLIER -68.86 171.2 8.29 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.227 1.195 . . . . 73.0 114.227 178.506 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.684 ' NH2' ' HB2' ' A' ' 682' ' ' ARG . 8.8 ptt-85 -114.12 172.17 7.16 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 113.348 0.87 . . . . 72.1 113.348 -169.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 79.1 t -83.67 141.5 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.488 -1.233 . . . . 74.32 109.878 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 67.91 24.85 7.92 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.888 1.675 . . . . 74.4 111.508 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.836 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 12.4 t70 -80.33 154.11 27.98 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 106.443 -1.688 . . . . 54.15 106.443 171.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.07 115.72 31.15 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 109.264 -0.643 . . . . 72.33 109.264 -174.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.522 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.6 mp -74.74 120.04 19.74 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.401 0.62 . . . . 43.31 112.513 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 44.9 mm -95.47 -56.13 5.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 115.297 -0.865 . . . . 70.33 111.331 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.34 155.09 43.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.871 -0.604 . . . . 74.34 111.826 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 678' ' ' LEU . 15.0 p -135.17 128.03 48.48 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-N 115.705 -0.68 . . . . 74.51 109.311 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 84.1 m-20 51.63 30.79 6.97 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.649 0.981 . . . . 63.43 113.649 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 90.63 -15.39 60.48 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.812 -0.709 . . . . 60.23 113.37 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -90.7 127.11 36.2 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.32 -0.992 . . . . 62.02 108.32 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 50.8 m -93.7 140.55 29.51 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 112.782 0.66 . . . . 72.32 112.782 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.531 HD12 ' HB1' ' A' ' 658' ' ' ALA . 0.9 OUTLIER -112.71 -3.71 14.2 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 116.011 -0.541 . . . . 72.11 111.246 175.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.05 93.91 0.22 Allowed 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.863 -0.792 . . . . 70.33 108.863 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 142.27 -25.91 2.32 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 115.723 -0.671 . . . . 64.4 112.113 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -98.65 152.68 19.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.232 -0.284 . . . . 71.14 110.232 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -65.52 167.22 9.16 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.211 0.449 . . . . 44.31 112.211 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.32 -47.28 81.95 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.283 0.845 . . . . 75.45 113.283 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.709 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -68.45 -30.63 69.54 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 121.035 -0.266 . . . . 74.23 110.639 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.33 -47.32 64.76 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.252 -1.018 . . . . 70.32 108.252 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.531 ' HB1' HD12 ' A' ' 650' ' ' LEU . . . -56.21 -43.72 78.83 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.578 -1.646 . . . . 74.24 111.066 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.524 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 63.0 mtt -60.71 -42.32 97.0 Favored 'General case' 0 C--O 1.216 -0.666 0 O-C-N 123.386 0.429 . . . . 73.33 111.769 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -61.51 -45.67 93.2 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.931 -0.308 . . . . 75.32 110.821 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.4 m -59.02 -43.5 91.6 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.143 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 666' ' ' MET . 97.7 mt -63.33 -56.51 15.83 Favored 'General case' 0 C--O 1.204 -1.325 0 CA-C-N 116.411 -0.359 . . . . 71.2 110.73 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 659' ' ' MET . 75.3 mtp180 -55.13 -39.93 69.96 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.457 0.646 . . . . 71.13 110.989 -175.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -74.66 -51.37 14.58 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-N 115.427 -0.806 . . . . 72.12 111.448 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 -31.9 51.79 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 113.255 0.835 . . . . 44.13 113.255 -173.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 4.3 ppp? -68.29 -33.97 75.31 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.305 -0.558 . . . . 64.43 110.684 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.6 t -92.54 -56.59 2.97 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-N 115.961 -0.563 . . . . 72.33 110.375 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 71.9 m -65.84 -41.78 91.32 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.225 0.454 . . . . 73.31 112.225 -172.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 43.9 mt-10 -93.3 -18.63 22.22 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.618 -0.833 . . . . 62.14 110.849 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.6 -55.16 18.86 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.438 -0.665 . . . . 73.33 111.438 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -73.71 -13.0 60.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.468 0.651 . . . . 72.12 110.672 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -75.43 -54.62 6.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.354 -0.839 . . . . 74.24 109.383 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 38.8 mmt180 -70.0 -37.29 75.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.61 . . . . 73.34 109.671 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 103.5 -20.3 42.55 Favored Glycine 0 CA--C 1.501 -0.82 0 N-CA-C 110.012 -1.235 . . . . 60.02 110.012 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 21.0 ptm -145.66 144.92 30.7 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.667 -1.235 . . . . 72.23 107.667 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.512 HG23 ' HB ' ' A' ' 591' ' ' VAL . 9.4 tt -110.45 136.7 45.64 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-O 121.676 0.751 . . . . 64.14 110.293 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -104.05 129.54 51.7 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 114.884 -1.053 . . . . 72.4 109.996 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.2 mm? -124.7 125.25 43.78 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.082 -0.71 . . . . 73.23 109.082 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.65 117.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 107.614 -1.254 . . . . 74.01 107.614 175.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.836 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.3 m -122.94 152.82 27.73 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 115.925 -0.58 . . . . 52.2 109.707 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -113.63 134.31 54.8 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.872 0.844 . . . . 31.03 112.869 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.684 ' HB2' ' NH2' ' A' ' 637' ' ' ARG . 8.1 tpt180 -108.45 119.87 40.76 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.25 -1.341 . . . . 62.32 108.463 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -91.05 127.13 36.35 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.138 -1.06 . . . . 75.51 108.138 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.96 96.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 CA-C-O 122.524 1.154 . . . . 74.11 109.88 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 49.9 m -150.6 156.86 42.2 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 105.509 -2.034 . . . . 74.1 105.509 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -77.32 -32.87 55.54 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 120.145 -0.622 . . . . 75.23 110.393 -177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 83.5 m -77.72 86.4 4.0 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.687 0.756 . . . . 34.03 109.493 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -156.13 145.1 20.43 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.501 -1.227 . . . . 71.43 108.72 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--N 1.303 -1.417 0 N-CA-C 109.296 -0.631 . . . . 74.43 109.296 -178.787 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 121.777 0.799 . . . . 72.45 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.1 mp -105.98 166.36 10.55 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.483 -0.78 . . . . 70.22 109.293 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . 63.51 82.53 0.18 Allowed 'General case' 0 C--N 1.317 -0.84 0 O-C-N 124.262 0.976 . . . . 23.43 112.908 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -124.51 134.28 53.06 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.781 -1.933 . . . . 74.31 105.781 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 7.4 mp 60.53 -165.93 0.2 Allowed 'General case' 0 C--O 1.253 1.244 0 N-CA-C 108.181 -1.044 . . . . 71.33 108.181 -168.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -157.01 111.51 2.73 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.866 -1.161 . . . . 74.24 107.866 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 152.73 153.37 6.29 Favored Glycine 0 N--CA 1.409 -3.15 0 N-CA-C 109.76 -1.336 . . . . 64.22 109.76 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 24.5 m -86.24 85.85 7.34 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.993 -0.743 . . . . 71.52 108.993 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -136.99 135.02 19.33 Favored Pre-proline 0 N--CA 1.432 -1.357 0 N-CA-C 108.35 -0.982 . . . . 64.2 108.35 -176.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -93.7 9.01 2.3 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.439 2.093 . . . . 72.24 110.111 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 58.44 93.08 0.03 OUTLIER 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.552 1.141 . . . . 74.32 110.573 -174.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.1 104.12 3.5 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 122.343 1.068 . . . . 73.13 111.298 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.484 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.6 mt-10 -106.49 150.24 26.29 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 113.6 -1.637 . . . . 72.41 109.298 -177.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.67 131.14 26.99 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 105.924 -1.88 . . . . 64.2 105.924 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . 0.402 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -108.26 126.41 64.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 120.326 -0.549 . . . . 74.23 109.895 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 29.0 pt . . . . . 0 N--CA 1.408 -2.544 0 CA-C-O 118.232 -0.889 . . . . 73.23 109.055 177.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 N-CA-C 110.803 -0.919 . . . . 55.32 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 52.5 p -140.74 -179.33 5.99 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.525 -0.546 . . . . 73.43 109.525 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 67.49 24.1 8.82 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 123.896 0.747 . . . . 73.15 110.429 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -77.48 44.5 2.23 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.749 -1.114 . . . . 74.34 112.885 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 20.6 m -82.61 -18.62 40.55 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 105.867 -1.901 . . . . 61.31 105.867 172.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 139.27 28.84 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 113.79 -1.55 . . . . 71.31 107.496 176.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.436 ' CD ' HD11 ' A' ' 684' ' ' ILE . 45.9 mt-10 -110.16 156.24 20.88 Favored 'General case' 0 CA--C 1.485 -1.532 0 N-CA-C 109.465 -0.569 . . . . 75.42 109.465 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.91 121.26 38.59 Favored 'General case' 0 N--CA 1.418 -2.038 0 CA-C-N 115.537 -0.756 . . . . 70.31 109.04 175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 84.9 mt -123.37 146.24 48.12 Favored 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 108.286 -1.005 . . . . 71.12 108.286 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 26.6 m -111.15 121.89 46.46 Favored 'General case' 0 C--N 1.266 -3.037 0 CA-C-N 115.515 -0.766 . . . . 71.12 110.323 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -110.74 137.76 47.99 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 115.72 -0.673 . . . . 73.3 109.717 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.442 ' HG2' ' OE1' ' A' ' 677' ' ' GLN . 35.5 mt-10 -109.92 128.02 55.11 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 109.476 -0.564 . . . . 62.33 109.476 -177.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.465 ' HB ' HG23 ' A' ' 676' ' ' ILE . 59.0 t -128.9 116.76 19.2 Favored Pre-proline 0 C--N 1.294 -1.806 0 N-CA-C 108.386 -0.968 . . . . 63.02 108.386 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.1 Cg_endo -83.62 148.79 12.67 Favored 'Trans proline' 0 N--CA 1.439 -1.735 0 C-N-CA 121.533 1.489 . . . . 65.31 111.724 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.41 73.32 3.99 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.826 0.822 . . . . 75.45 111.133 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -119.88 -74.88 0.59 Allowed 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.488 -1.233 . . . . 72.44 108.796 175.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.64 -3.52 59.05 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.834 1.302 . . . . 73.3 107.637 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.585 ' HB2' ' HB3' ' A' ' 629' ' ' ALA . 44.6 t -102.37 124.1 47.34 Favored 'General case' 0 N--CA 1.405 -2.702 0 N-CA-C 103.251 -2.87 . . . . 74.02 103.251 172.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.18 10.83 Favored Glycine 1 C--N 1.243 -4.605 0 N-CA-C 107.445 -2.262 . . . . 73.33 107.445 -172.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 41.0 m -69.63 -25.06 63.75 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 114.403 -0.899 . . . . 62.14 108.646 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -135.44 -67.28 0.54 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.319 -1.734 . . . . 65.31 106.319 168.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -157.0 -71.96 0.01 OUTLIER Glycine 0 C--N 1.277 -2.732 0 N-CA-C 106.253 -2.739 . . . . 72.4 106.253 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.737 HD11 HD13 ' A' ' 676' ' ' ILE . 11.0 mp -125.44 -41.74 2.01 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 124.526 1.13 . . . . 62.53 108.39 170.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 104.42 48.7 1.1 Allowed Glycine 1 N--CA 1.391 -4.364 0 N-CA-C 108.867 -1.693 . . . . 75.24 108.867 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.3 t -136.94 153.49 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 N-CA-C 107.032 -1.47 . . . . 72.24 107.032 175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 29.2 m -115.68 135.05 54.43 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 107.913 -1.143 . . . . 41.35 107.913 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.484 HG11 HD21 ' A' ' 642' ' ' LEU . 9.4 m -124.89 164.65 23.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 CA-C-N 116.168 -0.469 . . . . 73.23 111.103 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.641 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.68 152.63 35.66 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.784 -0.644 . . . . 64.1 110.666 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -106.77 134.42 12.16 Favored Glycine 0 C--N 1.293 -1.837 0 C-N-CA 120.195 -1.002 . . . . 42.44 112.025 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.14 144.64 42.31 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 109.044 -0.724 . . . . 64.43 109.044 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.597 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 30.2 ttt180 -134.42 128.79 34.25 Favored 'General case' 0 N--CA 1.422 -1.852 0 CA-C-N 116.55 -0.295 . . . . 75.11 110.688 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' A' ' 613' ' ' ASN . 57.1 m -78.29 123.17 26.65 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.99 -0.744 . . . . 70.31 108.99 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' B' ' 774' ' ' TYR . 26.6 ttpp -80.39 -45.54 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.184 0.439 . . . . 73.44 112.184 -174.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.02 -43.41 67.96 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.91 -1.144 . . . . 55.41 107.91 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.403 ' HB3' ' CB ' ' A' ' 610' ' ' SER . 50.0 t30 -67.41 -26.97 66.69 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.56 -0.904 . . . . 75.1 108.56 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 68.1 16.46 9.47 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.905 1.682 . . . . 72.13 111.466 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -126.48 148.57 49.66 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.316 -0.994 . . . . 72.33 108.316 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.4 p30 -88.06 154.43 20.48 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 119.424 -0.91 . . . . 72.32 112.186 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 76.3 mt -94.12 -5.91 46.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.344 -0.844 . . . . 65.04 110.871 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.19 -154.31 18.11 Favored Glycine 0 C--N 1.304 -1.229 0 C-N-CA 120.451 -0.88 . . . . 70.11 112.838 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.7 126.85 72.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.26 -0.645 . . . . 75.12 109.26 -176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -119.1 149.11 42.25 Favored 'General case' 0 C--N 1.308 -1.223 0 C-N-CA 122.791 0.436 . . . . 73.43 110.165 -177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.466 ' HA ' HG12 ' A' ' 605' ' ' VAL . 64.0 t -70.39 139.79 19.53 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.218 0 N-CA-C 109.568 -0.531 . . . . 74.43 109.568 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.21 -42.73 3.14 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 122.042 -0.411 . . . . 63.03 111.178 178.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 37.6 t -149.12 138.56 21.66 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.608 -0.516 . . . . 62.01 109.608 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.3 mp -97.91 128.3 49.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.439 -0.948 . . . . 71.44 108.439 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.03 113.48 25.18 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 109.511 -0.552 . . . . 43.41 109.511 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -70.07 123.8 22.5 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.605 -0.725 . . . . 55.52 109.3 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 126.56 -22.56 5.83 Favored Glycine 0 C--N 1.3 -1.466 0 N-CA-C 110.647 -0.981 . . . . 72.4 110.647 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -88.41 164.0 33.02 Favored Glycine 0 N--CA 1.436 -1.318 0 N-CA-C 110.192 -1.163 . . . . 75.45 110.192 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 596' ' ' SER . . . -68.16 -29.01 67.79 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 117.771 0.785 . . . . 64.12 110.819 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -66.07 -24.25 66.68 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 116.044 -0.526 . . . . 73.14 110.977 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -72.77 -52.33 15.46 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 118.527 -1.269 . . . . 70.54 109.839 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.366 0.0 OUTLIER -75.88 -49.94 16.45 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.003 1.483 . . . . 53.34 115.003 -179.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.91 -39.62 29.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 112.749 0.648 . . . . 63.33 112.749 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -66.98 -43.81 90.31 Favored Glycine 0 C--O 1.207 -1.582 0 C-N-CA 120.542 -0.837 . . . . 74.32 113.356 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 57.43 27.21 13.58 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 117.543 0.671 . . . . 74.13 111.478 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.09 161.57 3.02 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 113.9 1.074 . . . . 73.22 113.9 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.507 ' O ' ' HB ' ' A' ' 638' ' ' VAL . 19.0 ttm-85 -99.75 -42.65 6.75 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 117.025 2.232 . . . . 62.04 117.025 -166.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 54.8 t 94.43 129.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 126.583 1.953 . . . . 64.54 109.483 -169.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 71.82 13.17 6.15 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.191 1.797 . . . . 61.12 109.875 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -89.04 144.15 26.35 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.523 -0.762 . . . . 55.34 110.328 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -87.59 127.47 35.27 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.138 -0.937 . . . . 54.5 112.684 -170.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.484 HD21 HG11 ' A' ' 605' ' ' VAL . 6.8 mp -81.61 118.42 22.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.325 0.583 . . . . 72.14 110.403 178.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.9 mm -100.36 -57.37 4.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 CA-C-N 115.404 -0.816 . . . . 75.15 111.406 -173.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.45 148.97 48.0 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 116.371 -0.377 . . . . 60.24 110.402 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 678' ' ' LEU . 9.2 p -135.87 131.7 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.129 0 CA-C-O 120.875 0.369 . . . . 65.33 110.289 -176.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 18.3 m120 63.48 14.3 7.88 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.263 1.025 . . . . 62.3 111.857 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.45 -1.21 64.05 Favored Glycine 0 N--CA 1.437 -1.281 0 C-N-CA 120.894 -0.669 . . . . 73.32 111.581 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -103.43 134.7 46.36 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 109.108 -0.701 . . . . 64.11 109.108 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 60.2 m -90.92 141.63 28.63 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 115.978 -0.555 . . . . 75.03 111.262 -177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.2 pt? -133.98 7.61 3.73 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 111.974 0.361 . . . . 64.15 111.974 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.63 101.32 2.02 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 107.337 -1.357 . . . . 71.03 107.337 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.37 -25.97 0.6 Allowed Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 115.395 -0.82 . . . . 61.15 111.433 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.7 OUTLIER -94.53 171.06 9.03 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.231 -0.285 . . . . 71.02 110.231 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -81.35 171.82 14.32 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.496 0.554 . . . . 74.41 112.496 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.412 HD21 ' HB2' ' A' ' 616' ' ' ASP . 15.0 m120 -50.01 -47.8 52.84 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 123.891 0.876 . . . . 72.24 110.497 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -64.09 -45.28 89.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.405 -1.271 . . . . 74.2 111.163 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.1 -39.32 75.58 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.287 -0.87 . . . . 71.43 110.004 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -58.75 -46.21 87.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.008 -0.996 . . . . 71.13 111.431 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.09 -35.19 80.35 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 120.486 -0.485 . . . . 71.03 112.173 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.96 -44.22 96.64 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.439 -0.578 . . . . 62.44 109.439 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 77.1 m -63.94 -48.38 76.77 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 115.69 -0.686 . . . . 65.4 110.149 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 658' ' ' ALA . 96.0 mt -56.03 -55.98 26.32 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.678 -0.237 . . . . 63.51 111.595 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -61.82 -33.61 74.44 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.095 0.474 . . . . 74.45 111.486 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -76.36 -45.86 30.09 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 116.054 -0.521 . . . . 75.31 111.473 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.0 m -70.48 -35.47 73.28 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 120.596 -0.441 . . . . 72.02 110.459 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.622 ' HE3' HD13 ' A' ' 601' ' ' LEU . 23.9 ptm -70.8 -28.43 64.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 120.913 0.387 . . . . 72.3 110.659 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 48.3 t -87.87 -54.38 4.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 116.119 -0.491 . . . . 73.34 110.085 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 88.1 m -71.42 -54.78 9.54 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.033 -0.531 . . . . 72.2 111.922 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 29.7 mm-40 -81.53 -29.31 33.59 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.52 -0.309 . . . . 55.34 110.886 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.35 -59.31 11.03 Favored Glycine 0 CA--C 1.506 -0.509 0 CA-C-N 116.378 -0.374 . . . . 71.3 112.609 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -66.52 -23.06 66.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.384 0.611 . . . . 75.01 110.225 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' A' ' 672' ' ' LYS . 0.4 OUTLIER -72.56 -49.08 34.96 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.005 -0.543 . . . . 75.53 111.249 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 29.2 mmt180 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.748 0.308 . . . . 63.01 110.734 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.99 -10.74 67.13 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.284 -1.126 . . . . 43.23 110.284 -178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.508 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.1 ptm -148.66 151.23 34.59 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.446 0.698 . . . . 43.03 109.257 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.737 HD13 HD11 ' A' ' 601' ' ' LEU . 13.8 tt -111.85 134.05 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.086 0 N-CA-C 107.972 -1.122 . . . . 63.43 107.972 177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . 0.442 ' OE1' ' HG2' ' A' ' 590' ' ' GLU . 5.4 tp-100 -106.19 130.41 54.07 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.239 -1.393 . . . . 54.04 107.239 -176.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.3 mm? -124.44 125.44 44.28 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 119.817 -0.753 . . . . 72.41 111.05 -177.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -107.44 121.88 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.128 -1.434 . . . . 75.1 107.128 172.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 18.8 m -123.37 161.15 25.7 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 N-CA-C 109.56 -0.533 . . . . 74.01 109.56 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -110.4 124.54 51.92 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 107.716 -1.216 . . . . 61.42 107.716 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.84 136.15 54.59 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.594 -0.73 . . . . 75.24 111.033 -174.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -71.29 143.89 50.17 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.354 0.597 . . . . 74.53 112.187 -173.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . 0.436 HD11 ' CD ' ' A' ' 585' ' ' GLU . 43.2 mm -88.51 74.78 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 CA-C-O 122.636 1.207 . . . . 72.13 108.881 173.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 50.0 m -162.99 130.67 3.67 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 113.018 -1.901 . . . . 61.44 106.315 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.89 96.6 9.38 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 107.055 -1.461 . . . . 72.32 107.055 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 10.1 p -96.81 132.58 42.39 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 114.897 -1.047 . . . . 75.55 113.137 -171.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -95.64 98.12 10.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.835 -1.542 . . . . 73.12 106.835 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--O 1.257 1.482 0 O-C-N 123.915 0.76 . . . . 74.11 111.781 -175.179 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 C--O 1.244 0.788 0 N-CA-C 109.389 -0.597 . . . . 72.55 109.389 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.49 85.72 2.28 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.907 0.86 . . . . 75.52 112.655 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -90.11 -50.57 5.93 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.787 -1.19 . . . . 44.14 107.787 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 64.94 124.36 0.02 OUTLIER 'General case' 0 C--O 1.249 1.045 0 C-N-CA 125.463 1.505 . . . . 75.42 113.121 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.3 mp 68.24 178.09 0.25 Allowed 'General case' 0 C--O 1.245 0.849 0 CA-C-N 114.795 -1.093 . . . . 73.21 111.672 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . 0.558 ' O ' ' HE2' ' A' ' 611' ' ' LYS . 84.6 t80 -97.53 -45.68 6.33 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.741 -1.577 . . . . 74.32 106.741 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 172.96 162.29 24.79 Favored Glycine 0 N--CA 1.406 -3.309 0 N-CA-C 110.144 -1.182 . . . . 71.11 110.144 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 23.4 p -97.76 85.76 3.63 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-O 121.398 0.618 . . . . 24.01 112.306 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.89 150.48 78.38 Favored Pre-proline 0 CA--C 1.502 -0.88 0 CA-C-N 115.299 -0.864 . . . . 64.44 108.912 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.88 -31.17 67.77 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 121.522 1.482 . . . . 63.41 109.042 172.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' B' ' 779' ' ' GLN . 6.4 tp60 50.63 84.8 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.81 1.644 . . . . 73.3 111.628 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -107.66 123.73 48.94 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 113.187 0.81 . . . . 62.12 113.187 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.641 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 40.6 mt-10 -116.22 131.43 56.95 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 113.426 -1.716 . . . . 61.31 107.862 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.1 tp -129.61 129.08 43.91 Favored 'General case' 0 N--CA 1.404 -2.772 0 CA-C-N 115.811 -0.631 . . . . 72.24 110.273 -177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.63 122.5 47.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 109.308 -0.627 . . . . 73.11 109.308 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.481 HG22 ' SD ' ' A' ' 666' ' ' MET . 26.4 pt . . . . . 0 N--CA 1.401 -2.889 0 N-CA-C 108.136 -1.061 . . . . 45.41 108.136 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.869 0 N-CA-C 111.176 -0.77 . . . . 52.24 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.1 m 66.09 -179.82 0.2 Allowed 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.814 0.846 . . . . 74.42 111.237 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.35 127.22 31.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.564 -0.289 . . . . 74.31 110.675 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -104.64 29.75 11.3 Favored Glycine 0 N--CA 1.436 -1.336 0 CA-C-N 115.802 -0.635 . . . . 72.54 112.324 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -92.34 -59.26 2.13 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.899 -1.519 . . . . 63.53 106.899 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -122.28 139.45 53.78 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 106.552 -1.647 . . . . 71.44 106.552 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 16.9 pt-20 -110.31 144.65 38.71 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.223 -0.991 . . . . 74.35 111.106 -174.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . 0.512 ' CE2' HG21 ' A' ' 643' ' ' ILE . 4.1 m-30 -91.8 128.49 37.65 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.459 -0.792 . . . . 73.43 109.58 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.427 HD12 HH22 ' A' ' 637' ' ' ARG . 96.0 mt -126.73 131.44 51.34 Favored 'General case' 0 C--N 1.287 -2.127 0 N-CA-C 108.313 -0.995 . . . . 74.34 108.313 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 29.9 m -101.41 124.14 46.61 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 115.276 -0.874 . . . . 65.24 110.844 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -118.86 130.18 55.61 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.953 -0.567 . . . . 72.05 109.489 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.94 135.34 48.67 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 120.977 0.417 . . . . 65.3 110.149 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 676' ' ' ILE . 61.0 t -125.14 117.82 25.47 Favored Pre-proline 0 C--N 1.291 -1.949 0 N-CA-C 108.549 -0.908 . . . . 72.04 108.549 -173.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 70.6 Cg_endo -79.27 147.04 20.21 Favored 'Trans proline' 0 N--CA 1.427 -2.42 0 N-CA-C 108.895 -1.233 . . . . 53.32 108.895 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.42 80.16 4.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 122.064 0.935 . . . . 75.11 109.691 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 596' ' ' SER . 13.3 m120 -122.83 119.54 30.85 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 114.258 -1.337 . . . . 74.35 111.063 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 24.6 t70 71.59 -11.38 0.73 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 125.52 1.528 . . . . 53.14 111.457 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 594' ' ' ASN . 20.3 m -82.06 102.41 10.99 Favored 'General case' 0 N--CA 1.401 -2.879 0 CA-C-N 115.025 -0.989 . . . . 50.45 108.87 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -131.54 -39.85 0.24 Allowed Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 109.367 -1.493 . . . . 55.44 109.367 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 16.1 m -72.99 -21.62 60.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 121.713 0.768 . . . . 73.54 109.381 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.88 43.36 Favored 'General case' 0 N--CA 1.395 -3.212 0 N-CA-C 105.493 -2.04 . . . . 74.42 105.493 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -76.91 -52.57 5.73 Favored Glycine 0 C--N 1.27 -3.13 0 N-CA-C 110.01 -1.236 . . . . 52.12 110.01 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 676' ' ' ILE . 12.4 mt -113.81 -35.3 5.19 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.265 -1.013 . . . . 72.41 108.265 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.554 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.49 51.94 2.61 Favored Glycine 0 N--CA 1.401 -3.648 0 CA-C-N 114.378 -1.283 . . . . 34.34 110.505 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.5 t -140.2 152.0 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 N-CA-C 106.275 -1.75 . . . . 71.52 106.275 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 40.1 m -111.87 131.93 55.04 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 106.959 -1.497 . . . . 73.43 106.959 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 621' ' ' VAL . 4.2 m -124.76 164.46 23.39 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.688 0 CA-C-O 121.336 0.589 . . . . 71.12 112.027 178.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.415 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 22.5 pttp -149.1 152.34 35.99 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.828 -1.078 . . . . 65.55 109.747 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.37 122.19 5.74 Favored Glycine 0 C--N 1.276 -2.79 0 C-N-CA 120.546 -0.835 . . . . 62.23 111.26 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -94.41 138.84 31.87 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-O 121.474 0.654 . . . . 54.15 111.099 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.606 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 56.0 ttp180 -130.45 125.27 33.99 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 107.586 -1.264 . . . . 73.33 107.586 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.675 ' OG ' ' HB3' ' A' ' 613' ' ' ASN . 60.2 p -66.87 126.06 27.89 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 123.835 0.709 . . . . 65.31 109.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.55 ' HD2' ' HA3' ' B' ' 775' ' ' GLY . 49.1 mtmt -77.58 -41.8 37.48 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 106.733 -1.58 . . . . 75.34 106.733 175.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' ' 612' ' ' GLU . 1.2 mp0 -58.33 -52.6 64.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 113.953 -1.476 . . . . 73.53 111.08 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.675 ' HB3' ' OG ' ' A' ' 610' ' ' SER . 52.4 t-20 -87.43 -26.03 23.47 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 120.986 0.422 . . . . 74.32 110.549 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 66.2 m80 77.22 4.59 3.22 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.653 1.181 . . . . 61.02 112.539 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -103.96 149.64 24.95 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.712 -0.847 . . . . 61.42 108.712 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.6 p-10 -86.14 141.22 29.54 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 119.816 -0.754 . . . . 63.22 109.945 178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 78.5 mt -89.37 -12.45 40.35 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.296 -0.865 . . . . 74.4 109.52 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 108.81 -167.28 12.98 Favored Glycine 0 C--N 1.311 -0.823 0 CA-C-N 115.238 -0.892 . . . . 63.12 112.94 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -99.27 131.19 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.373 0.669 . . . . 64.32 109.94 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 87.2 m-85 -130.56 144.96 51.76 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-O 120.806 0.336 . . . . 64.42 110.567 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.506 ' HA ' HG12 ' A' ' 605' ' ' VAL . 84.7 t -65.82 131.83 31.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 CA-C-N 116.048 -0.524 . . . . 75.14 110.376 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -105.7 -38.06 6.53 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 120.942 0.401 . . . . 63.22 110.834 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.9 t -149.01 135.79 19.69 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 109.617 -0.512 . . . . 52.45 109.617 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.03 125.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 108.143 -1.058 . . . . 74.15 108.143 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -92.42 113.76 28.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-O 121.35 0.595 . . . . 64.33 109.758 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.15 114.14 15.64 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.009 -1.108 . . . . 62.41 108.009 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.17 -22.28 2.76 Favored Glycine 0 N--CA 1.427 -1.944 0 N-CA-C 110.355 -1.098 . . . . 75.13 110.355 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -89.47 156.1 25.54 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.723 -0.751 . . . . 71.33 111.866 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.41 74.09 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 111.723 0.268 . . . . 75.33 111.723 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -63.13 -27.24 69.24 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-O 121.304 0.573 . . . . 65.24 110.588 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.4 t -74.37 -54.82 6.86 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.049 -0.978 . . . . 74.55 109.766 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . 0.367 0.0 OUTLIER -75.82 -35.2 60.1 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.582 1.697 . . . . 64.31 115.582 -177.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.95 -47.14 19.28 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 112.403 0.52 . . . . 54.25 112.403 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.51 -43.06 5.63 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.06 -1.067 . . . . 74.0 114.976 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 61.75 82.96 0.16 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.758 -0.46 . . . . 73.4 109.758 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.34 177.93 4.73 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.102 -0.374 . . . . 75.34 111.539 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.0 OUTLIER -112.79 170.44 8.19 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 109.133 -0.692 . . . . 72.44 109.133 -177.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.4 t -85.68 142.19 13.51 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.188 0 N-CA-C 107.439 -1.319 . . . . 74.54 107.439 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 68.71 18.85 8.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.017 1.327 . . . . 73.14 109.578 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 37.0 t0 -70.68 137.63 49.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.635 -1.246 . . . . 75.03 107.635 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -86.49 113.05 22.1 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 123.819 0.847 . . . . 62.43 111.316 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.444 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.6 mp -80.37 121.79 26.14 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 120.969 0.414 . . . . 44.33 109.972 177.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.512 HG21 ' CE2' ' A' ' 586' ' ' PHE . 49.4 mm -101.4 -60.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 115.699 -0.682 . . . . 75.22 111.62 -174.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -138.62 157.59 45.86 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.991 -0.55 . . . . 65.35 110.628 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.512 HG23 HD13 ' A' ' 678' ' ' LEU . 14.9 p -138.49 131.69 40.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 O-C-N 123.344 0.402 . . . . 75.01 109.92 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.456 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 86.5 m-20 52.45 29.57 7.17 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.52 0.933 . . . . 74.15 113.52 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.39 -8.7 78.05 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.9 -0.667 . . . . 51.15 113.098 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.45 130.37 34.53 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 106.63 -1.619 . . . . 74.44 106.63 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.6 t -89.12 111.52 22.3 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.605 0.716 . . . . 72.33 111.12 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.429 ' HA ' ' HZ3' ' A' ' 653' ' ' LYS . 6.5 mp -92.87 -18.98 22.16 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-N 115.877 -0.602 . . . . 61.31 109.85 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.432 ' HB2' HG23 ' A' ' 643' ' ' ILE . 2.5 tm? -71.94 94.79 1.49 Allowed 'General case' 0 N--CA 1.428 -1.561 0 N-CA-C 108.208 -1.034 . . . . 71.55 108.208 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.98 -41.07 0.61 Allowed Glycine 0 C--N 1.287 -2.157 0 N-CA-C 108.902 -1.679 . . . . 71.13 108.902 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . 0.429 ' HZ3' ' HA ' ' A' ' 650' ' ' LEU . 16.1 pttm -88.26 166.53 14.26 Favored 'General case' 0 N--CA 1.422 -1.859 0 CA-C-N 114.576 -0.812 . . . . 73.25 109.716 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -76.14 160.65 29.54 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 123.328 0.392 . . . . 63.23 111.402 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.659 ' O ' ' HG3' ' A' ' 659' ' ' MET . 32.9 p30 -49.35 -46.48 47.09 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.166 0.802 . . . . 71.35 113.166 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -56.39 -46.87 79.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.418 0.628 . . . . 75.2 110.758 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.74 -42.31 95.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.315 -0.857 . . . . 72.01 108.857 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.61 77.18 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.75 -1.113 . . . . 61.34 110.971 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.659 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.2 mtp -61.58 -42.04 98.28 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.056 0.142 . . . . 70.21 110.797 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.02 -41.04 87.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 120.871 0.367 . . . . 65.23 110.611 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.4 m -66.02 -39.45 90.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.874 -0.417 . . . . 74.33 109.874 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.2 -52.54 65.25 Favored 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 124.125 0.97 . . . . 71.34 111.165 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 659' ' ' MET . 71.2 mtp180 -56.04 -49.08 74.71 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.714 0.634 . . . . 65.44 110.616 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -66.67 -43.22 85.11 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 115.683 -0.69 . . . . 73.34 111.771 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 42.4 m -70.38 -31.33 68.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 122.018 -0.426 . . . . 55.34 111.495 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.45 ' SD ' HG22 ' B' ' 784' ' ' ILE . 22.2 ptm -77.8 -35.47 51.41 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.216 -0.994 . . . . 74.13 110.358 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 34.4 t -76.54 -48.56 18.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.182 0.515 . . . . 74.13 110.219 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 89.0 m -75.43 -50.62 15.25 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 116.24 -0.436 . . . . 74.25 112.127 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -86.82 -56.32 3.45 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.282 -0.967 . . . . 55.24 112.446 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -51.97 -59.13 9.12 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 114.086 0.394 . . . . 50.14 114.086 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -70.18 -4.9 23.71 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.495 0.924 . . . . 60.23 113.495 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -114.07 -28.16 7.43 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 120.34 -0.544 . . . . 75.23 111.781 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -76.24 -27.03 56.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.73 -0.841 . . . . 75.33 108.73 173.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 99.53 -20.73 48.42 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 110.734 -0.946 . . . . 75.32 110.734 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.434 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.7 ptp -146.45 153.66 40.7 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 121.161 0.505 . . . . 74.35 109.651 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.6 HG21 HD21 ' A' ' 601' ' ' LEU . 8.6 tt -122.21 144.49 31.34 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.707 0 CA-C-N 114.87 -1.059 . . . . 74.13 110.081 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -109.66 129.96 55.55 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.81 -0.441 . . . . 75.4 109.81 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 645' ' ' VAL . 1.5 mm? -122.99 128.59 50.41 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.876 -0.416 . . . . 54.43 109.876 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.4 mp -108.4 118.23 55.58 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.21 -1.404 . . . . 75.11 107.21 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.423 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 24.0 m -123.15 158.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 123.283 0.365 . . . . 73.1 110.138 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -124.92 125.62 44.22 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.098 0.475 . . . . 61.44 110.717 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -110.12 159.81 17.02 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.794 -0.817 . . . . 64.14 108.794 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -82.66 124.45 30.21 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.995 -0.743 . . . . 61.15 108.995 173.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.77 -39.49 84.96 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-O 121.888 0.851 . . . . 75.24 108.751 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.6 m -101.31 91.19 4.38 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-N 114.34 -1.3 . . . . 63.41 108.058 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -98.42 101.04 12.37 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.308 -0.997 . . . . 70.24 108.308 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.55 119.24 22.95 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.791 -0.64 . . . . 73.11 110.36 -176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.04 96.51 8.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.365 -0.976 . . . . 72.24 108.365 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.299 -1.612 0 CA-C-N 115.181 -0.918 . . . . 74.31 110.048 -176.077 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.855 0.36 . . . . 71.33 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.5 mp -108.1 144.11 35.93 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 115.946 -0.57 . . . . 71.32 110.573 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -92.2 -24.88 18.9 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.213 -1.032 . . . . 75.03 108.213 174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 67.2 166.86 0.23 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.961 1.304 . . . . 54.33 112.46 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 62.9 tp -114.28 134.81 54.68 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.574 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -127.67 102.93 7.04 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 104.966 -2.235 . . . . 75.4 104.966 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . 0.55 ' HA3' ' HD2' ' A' ' 611' ' ' LYS . . . 120.03 76.32 0.47 Allowed Glycine 0 N--CA 1.398 -3.9 0 C-N-CA 119.528 -1.32 . . . . 72.31 110.48 -174.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 52.7 m -75.79 88.14 2.82 Favored 'General case' 0 N--CA 1.429 -1.523 0 CA-C-O 121.444 0.64 . . . . 65.44 110.884 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.0 139.89 36.32 Favored Pre-proline 0 C--N 1.295 -1.772 0 N-CA-C 107.781 -1.192 . . . . 71.2 107.781 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.2 -12.37 21.12 Favored 'Trans proline' 0 C--O 1.24 0.593 0 C-N-CA 122.462 2.108 . . . . 72.1 112.38 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' B' ' 779' ' ' GLN . 6.1 tp60 64.91 101.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.357 0 O-C-N 124.295 0.997 . . . . 65.1 109.771 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . 0.581 ' HB3' ' SD ' ' A' ' 659' ' ' MET . 7.9 mm-40 -72.47 118.49 15.44 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.362 0.875 . . . . 72.14 113.362 -175.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 24.0 mt-10 -130.16 134.52 47.37 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 113.891 -1.504 . . . . 64.35 110.142 -178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 58.4 tp -136.9 131.61 33.35 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 116.074 -0.512 . . . . 71.41 109.973 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -98.02 121.73 48.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.057 0 N-CA-C 107.644 -1.243 . . . . 72.15 107.644 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.501 HD12 HD12 ' A' ' 601' ' ' LEU . 11.0 pt . . . . . 0 N--CA 1.411 -2.392 0 CA-C-O 117.84 -1.076 . . . . 71.11 110.455 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.86 0 N-CA-C 110.741 -0.944 . . . . 70.11 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 36.9 p -100.01 122.35 42.76 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 117.05 0.425 . . . . 64.1 111.014 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 33.7 t70 74.15 -45.21 0.59 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 124.982 1.313 . . . . 75.1 112.206 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 105.78 147.53 15.48 Favored Glycine 0 N--CA 1.424 -2.141 0 N-CA-C 110.741 -0.944 . . . . 53.15 110.741 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 30.5 m -73.72 97.4 2.69 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 108.628 -0.879 . . . . 72.42 108.628 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -144.64 163.04 35.13 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.204 -0.907 . . . . 71.31 109.123 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -144.36 150.45 37.8 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 109.267 -0.642 . . . . 73.24 109.267 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 643' ' ' ILE . 3.2 m-30 -102.66 122.34 44.24 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.314 0.383 . . . . 74.21 110.697 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 146.32 32.1 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.191 -0.67 . . . . 62.54 109.191 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 24.6 m -110.68 121.28 44.94 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.508 -0.923 . . . . 64.41 108.508 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -118.53 127.63 53.81 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.374 -0.375 . . . . 62.44 110.045 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -111.34 119.31 38.42 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.417 -0.957 . . . . 63.52 108.417 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.417 ' HB ' HG23 ' A' ' 676' ' ' ILE . 87.6 t -116.97 117.19 37.39 Favored Pre-proline 0 C--N 1.283 -2.292 0 CA-C-N 115.257 -0.883 . . . . 74.52 109.697 -171.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.3 Cg_endo -78.09 148.46 24.56 Favored 'Trans proline' 0 N--CA 1.437 -1.844 0 C-N-CA 121.494 1.463 . . . . 64.03 110.465 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.57 73.23 3.28 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 122.577 1.179 . . . . 61.31 110.132 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -107.99 -67.33 0.97 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 113.634 -1.621 . . . . 74.34 107.919 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . 0.511 ' HB2' ' N ' ' A' ' 629' ' ' ALA . 5.3 m-20 -86.08 73.39 10.27 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 122.526 1.155 . . . . 73.45 108.309 174.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 41.0 t -143.24 135.13 26.75 Favored 'General case' 0 N--CA 1.384 -3.761 0 CA-C-N 112.7 -2.045 . . . . 73.33 106.869 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 164.55 -45.93 0.3 Allowed Glycine 1 C--N 1.25 -4.235 0 N-CA-C 109.551 -1.42 . . . . 60.04 109.551 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 29.1 t -81.34 -32.05 33.17 Favored 'General case' 0 N--CA 1.434 -1.241 0 N-CA-C 107.954 -1.128 . . . . 71.24 107.954 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -148.49 -175.32 4.88 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 106.26 -1.756 . . . . 72.31 106.26 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -91.77 -60.31 1.28 Allowed Glycine 0 C--N 1.267 -3.26 0 N-CA-C 109.872 -1.291 . . . . 73.23 109.872 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 676' ' ' ILE . 6.9 mp -108.39 -28.05 9.61 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.19 -0.67 . . . . 60.5 109.19 178.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 82.52 49.9 4.97 Favored Glycine 1 N--CA 1.391 -4.331 0 N-CA-C 109.288 -1.525 . . . . 30.33 109.288 -178.618 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.11 151.56 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.108 0 N-CA-C 106.939 -1.504 . . . . 75.43 106.939 174.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 45.3 m -114.63 132.57 56.32 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 107.225 -1.398 . . . . 45.11 107.225 173.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.0 m -124.2 162.53 25.45 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.117 0 CA-C-N 115.585 -0.734 . . . . 64.23 111.209 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.521 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -150.23 153.51 36.34 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.081 -0.963 . . . . 60.31 109.078 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.681 ' O ' ' HA ' ' B' ' 778' ' ' PRO . . . -105.47 152.47 17.21 Favored Glycine 0 C--N 1.267 -3.252 0 C-N-CA 119.605 -1.283 . . . . 70.2 111.216 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.562 HD22 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -123.36 130.36 52.61 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.986 -1.487 . . . . 74.41 106.986 179.149 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.562 ' N ' HD22 ' A' ' 608' ' ' ASN . 48.8 ttp180 -127.73 138.72 52.87 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 109.734 -0.469 . . . . 64.12 109.734 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.9 m -83.48 147.3 27.9 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.549 -0.75 . . . . 53.23 111.972 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 612' ' ' GLU . 63.0 pttt -85.48 -52.57 5.75 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 120.952 0.406 . . . . 73.3 110.366 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 611' ' ' LYS . 39.9 tt0 -79.1 -43.08 24.83 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 123.688 0.795 . . . . 65.42 110.332 -175.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.538 ' ND2' ' HB3' ' A' ' 615' ' ' ALA . 11.3 t30 -74.5 -15.81 60.86 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.765 -0.652 . . . . 73.44 110.061 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.6 m80 57.53 11.9 1.36 Allowed 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 124.528 1.131 . . . . 54.02 113.772 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . 0.538 ' HB3' ' ND2' ' A' ' 613' ' ' ASN . . . -117.39 161.55 19.36 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 109.581 -0.525 . . . . 64.11 109.581 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.0 m-20 -84.28 143.37 29.59 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 107.4 -1.333 . . . . 62.21 107.4 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.61 -15.79 38.69 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.808 -1.182 . . . . 74.31 107.808 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 114.21 -169.0 12.72 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 114.648 -1.16 . . . . 71.24 112.226 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.449 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 48.5 mm -103.59 126.37 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.215 -1.032 . . . . 73.5 108.215 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -119.99 148.44 43.55 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 122.805 0.442 . . . . 70.41 110.053 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 605' ' ' VAL . 73.9 t -68.67 130.91 33.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 109.708 -0.478 . . . . 63.43 109.708 173.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -105.87 -38.01 6.49 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-N 116.101 -0.499 . . . . 75.33 111.206 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.7 m -150.04 140.48 22.39 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.181 -0.463 . . . . 65.51 109.957 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.0 mp -104.11 129.26 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 N-CA-C 108.725 -0.843 . . . . 73.45 108.725 177.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.496 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.3 mt -89.96 119.68 37.49 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.043 0 CA-C-N 115.9 -0.591 . . . . 63.11 109.653 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -79.07 90.6 4.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.133 -1.062 . . . . 73.12 108.133 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 160.94 33.3 0.02 OUTLIER Glycine 0 C--N 1.291 -1.955 0 N-CA-C 109.592 -1.403 . . . . 64.31 109.592 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 601' ' ' LEU . . . -148.9 150.6 22.77 Favored Glycine 0 N--CA 1.425 -2.092 0 N-CA-C 110.263 -1.135 . . . . 53.5 110.263 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . 0.511 ' N ' ' HB2' ' A' ' 595' ' ' ASP . . . -65.27 -29.93 70.75 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.199 0.444 . . . . 71.12 112.199 -176.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -69.73 -26.89 64.54 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 121.242 0.544 . . . . 32.12 110.235 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 32.8 t -74.6 -52.42 11.82 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.379 -0.828 . . . . 74.22 109.667 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -74.19 -50.02 21.04 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.263 0.838 . . . . 62.22 113.263 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -80.28 -42.82 22.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.303 0.483 . . . . 71.14 112.303 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -87.58 -43.68 5.73 Favored Glycine 0 C--O 1.223 -0.532 0 C-N-CA 120.43 -0.89 . . . . 73.25 114.77 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 635' ' ' ARG . 2.4 mmp_? 61.93 81.58 0.19 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.545 0.673 . . . . 74.23 112.056 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.83 171.65 8.17 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.755 -0.461 . . . . 75.11 109.755 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 0.4 OUTLIER -117.69 169.78 9.3 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 120.072 -0.651 . . . . 75.31 109.609 -175.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.99 144.14 10.68 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 N-CA-C 107.054 -1.461 . . . . 75.14 107.054 171.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 59.2 t30 71.57 18.92 5.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.563 1.173 . . . . 75.42 109.044 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.443 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 52.1 t0 -84.59 129.48 34.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 107.205 -1.406 . . . . 70.21 107.205 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -89.4 122.69 32.86 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.198 0.444 . . . . 72.02 112.198 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.434 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.5 mp -81.94 114.19 20.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.688 -0.687 . . . . 72.11 110.229 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.478 HG21 ' CE2' ' A' ' 586' ' ' PHE . 45.1 mm -94.15 -55.23 6.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.497 -0.774 . . . . 74.23 111.088 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -140.58 146.0 37.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.305 -0.861 . . . . 33.24 110.515 -176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.71 130.67 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.125 0 CA-C-O 121.144 0.497 . . . . 54.14 110.083 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.402 ' ND2' HG13 ' A' ' 676' ' ' ILE . 18.6 m120 57.16 23.68 8.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.823 1.249 . . . . 53.34 111.903 -178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 92.2 6.19 65.0 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.897 -0.668 . . . . 60.12 113.355 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -117.95 126.85 53.12 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 122.134 -0.627 . . . . 72.24 109.614 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.8 m -78.35 146.35 34.72 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 120.769 0.319 . . . . 71.03 111.358 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -140.82 17.58 2.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.627 0.727 . . . . 75.31 109.871 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.5 -14.5 62.55 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.132 -0.94 . . . . 71.04 111.034 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -115.27 45.08 1.36 Allowed Glycine 0 N--CA 1.435 -1.386 0 C-N-CA 120.771 -0.728 . . . . 53.22 112.869 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.82 176.24 10.03 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 117.025 0.412 . . . . 75.14 110.787 176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -75.87 165.58 24.78 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.174 0.589 . . . . 73.51 112.165 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -48.35 76.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.272 0.358 . . . . 75.14 111.198 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.44 -52.31 65.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 121.43 0.634 . . . . 63.33 111.315 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.02 -43.88 78.18 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 113.959 -1.473 . . . . 54.21 110.209 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -61.6 -43.82 98.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.658 -0.701 . . . . 64.12 110.981 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 63.1 mtt -64.81 -41.07 96.07 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 120.65 0.262 . . . . 71.2 111.019 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -61.02 -44.53 97.28 Favored 'General case' 0 N--CA 1.414 -2.257 0 N-CA-C 108.788 -0.819 . . . . 65.24 108.788 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 94.0 m -61.33 -46.56 89.73 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.948 0.499 . . . . 53.44 110.918 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -57.43 -56.79 17.25 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 122.246 0.218 . . . . 65.24 111.323 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.57 -37.72 87.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 72.55 110.191 -176.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.62 -46.41 89.94 Favored 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 115.433 -0.803 . . . . 71.4 110.191 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 47.8 m -69.42 -33.6 73.21 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 116.489 -0.323 . . . . 60.41 110.866 -176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.666 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.1 mtp -69.89 -41.38 74.82 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.188 0.518 . . . . 74.44 109.971 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 21.8 t -77.67 -50.49 12.37 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.488 -0.778 . . . . 72.31 110.715 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.8 m -74.23 -49.97 21.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 112.227 0.455 . . . . 74.41 112.227 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -94.15 -44.4 8.02 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 112.931 0.715 . . . . 61.03 112.931 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.22 -56.72 22.8 Favored Glycine 0 C--N 1.316 -0.579 0 CA-C-O 120.129 -0.261 . . . . 51.34 113.391 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.88 -8.27 53.39 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.097 0.475 . . . . 71.31 111.679 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -90.87 -54.72 3.85 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.121 -0.49 . . . . 75.12 110.255 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -73.0 -28.85 62.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.903 -0.589 . . . . 64.45 111.077 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 95.44 -13.47 66.59 Favored Glycine 0 C--O 1.242 0.598 0 N-CA-C 110.499 -1.04 . . . . 73.21 110.499 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.409 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 20.6 ptp -147.31 145.09 29.24 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 123.629 0.772 . . . . 71.42 109.87 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 601' ' ' LEU . 11.5 tt -112.44 135.03 53.1 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-N 115.044 -0.98 . . . . 63.2 110.566 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -104.87 132.6 50.91 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.025 -0.534 . . . . 72.23 110.488 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 601' ' ' LEU . 0.9 OUTLIER -127.26 127.84 45.04 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.393 -0.595 . . . . 74.11 109.393 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -106.01 115.9 48.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.872 -1.529 . . . . 70.53 106.872 172.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.443 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 17.4 m -123.72 152.77 29.2 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.971 0 CA-C-N 116.109 -0.496 . . . . 73.02 109.874 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.06 127.96 54.3 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.393 -0.367 . . . . 72.44 111.222 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.467 ' NH2' HH21 ' A' ' 637' ' ' ARG . 4.1 ptp180 -108.61 143.39 37.73 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.534 -1.284 . . . . 43.35 107.534 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -92.69 138.9 31.09 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.367 -0.605 . . . . 73.41 109.367 173.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 684' ' ' ILE . 3.2 mp -87.49 107.52 17.31 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 N-CA-C 108.709 -0.848 . . . . 75.53 108.709 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 39.5 t -131.68 -66.36 0.72 Allowed 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.706 -1.22 . . . . 71.12 107.706 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 59.52 -178.74 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.643 0.777 . . . . 72.02 110.85 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.6 m 68.16 -54.57 0.52 Allowed 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 113.806 1.039 . . . . 74.51 113.806 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.23 -62.82 1.48 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 122.764 0.425 . . . . 74.14 110.87 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.312 -1.029 0 N-CA-C 107.981 -1.118 . . . . 73.05 107.981 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 C--O 1.243 0.759 0 CA-C-O 120.75 0.309 . . . . 73.14 110.794 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 6.4 mp -122.16 116.06 23.51 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.385 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -105.97 -23.85 12.56 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.895 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 71.7 155.61 0.15 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.363 1.065 . . . . 61.23 112.085 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 92.7 mt 75.03 -172.72 0.11 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.975 1.31 . . . . 62.32 111.658 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -98.59 -32.35 11.48 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 121.78 0.8 . . . . 75.35 109.981 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 134.01 87.34 0.29 Allowed Glycine 0 N--CA 1.406 -3.341 0 CA-C-N 115.033 -0.985 . . . . 70.35 111.283 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . 0.415 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 29.5 p -151.19 151.16 31.51 Favored 'General case' 0 N--CA 1.407 -2.595 0 N-CA-C 105.753 -1.944 . . . . 43.33 105.753 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.62 98.46 40.97 Favored Pre-proline 0 C--N 1.288 -2.085 0 C-N-CA 120.124 -0.63 . . . . 72.51 111.925 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . 0.681 ' HA ' ' O ' ' A' ' 607' ' ' GLY . 32.1 Cg_endo -105.01 20.81 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 123.84 3.027 . . . . 62.35 110.148 173.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -70.37 -30.46 67.39 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.141 -0.936 . . . . 74.01 112.916 -172.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.12 112.8 15.45 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.909 -0.716 . . . . 61.21 111.201 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.521 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 42.4 mt-10 -115.92 152.38 33.54 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.715 0.806 . . . . 71.3 110.088 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.74 135.02 20.57 Favored 'General case' 0 N--CA 1.421 -1.923 0 N-CA-C 107.538 -1.282 . . . . 74.11 107.538 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -104.87 129.51 57.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.625 -0.88 . . . . 73.24 108.625 176.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.545 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 24.6 pt . . . . . 0 N--CA 1.423 -1.795 0 CA-C-O 117.715 -1.136 . . . . 72.3 111.265 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.227 0 N-CA-C 110.419 -1.073 . . . . 72.52 110.419 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 21.3 m -88.27 143.19 27.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 109.389 -0.597 . . . . 71.31 109.389 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -54.65 -56.53 18.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 123.637 0.586 . . . . 62.02 110.134 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -119.57 148.61 18.07 Favored Glycine 0 N--CA 1.413 -2.858 0 N-CA-C 109.759 -1.336 . . . . 54.12 109.759 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 24.6 m -71.72 107.97 4.81 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.144 -0.687 . . . . 73.31 109.144 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -143.44 153.82 43.05 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 112.372 0.508 . . . . 73.11 112.372 -176.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -116.32 137.06 52.46 Favored 'General case' 0 N--CA 1.424 -1.725 0 CA-C-N 115.285 -0.87 . . . . 44.12 109.113 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -92.83 122.4 35.18 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 109.205 -0.665 . . . . 75.33 109.205 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 93.6 mt -112.28 131.27 55.6 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-O 120.992 0.425 . . . . 65.21 110.492 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 53.6 m -107.06 122.18 45.95 Favored 'General case' 0 C--N 1.281 -2.38 0 CA-C-N 115.041 -0.981 . . . . 73.41 109.04 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -121.77 121.14 36.58 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 116.43 -0.35 . . . . 63.44 110.662 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.47 112.01 24.56 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.064 0.935 . . . . 74.04 108.609 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 65.7 t -108.03 118.96 51.43 Favored Pre-proline 0 C--N 1.278 -2.519 0 CA-C-N 113.712 -1.586 . . . . 64.02 109.925 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.74 148.2 41.08 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.567 1.512 . . . . 74.41 110.74 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.3 73.46 3.88 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.861 0.838 . . . . 74.44 108.991 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.73 -51.94 3.32 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.687 -1.142 . . . . 65.43 110.75 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.78 17.33 9.19 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 121.607 0.718 . . . . 74.4 109.434 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.695 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.1 t -73.6 116.72 14.52 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 114.888 -1.051 . . . . 75.15 110.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 177.67 -60.29 0.09 OUTLIER Glycine 1 C--N 1.254 -4.003 0 CA-C-N 113.139 -1.846 . . . . 52.44 109.697 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.4 p -77.61 -30.59 52.44 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.97 0.891 . . . . 25.04 109.415 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.695 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -152.6 170.13 20.96 Favored 'General case' 0 N--CA 1.402 -2.843 0 N-CA-C 104.064 -2.569 . . . . 64.45 104.064 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -88.95 -51.86 2.91 Favored Glycine 0 C--N 1.271 -3.08 0 N-CA-C 110.55 -1.02 . . . . 62.34 110.55 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 676' ' ' ILE . 6.2 mp -106.59 -36.3 6.79 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.612 -0.884 . . . . 73.41 108.612 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.612 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 90.17 49.12 3.37 Favored Glycine 0 N--CA 1.398 -3.875 0 N-CA-C 109.924 -1.27 . . . . 65.33 109.924 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.414 HG21 HD12 ' A' ' 636' ' ' LEU . 11.7 t -134.81 152.32 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 N-CA-C 106.899 -1.519 . . . . 61.22 106.899 175.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 44.9 m -113.09 134.15 54.67 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.219 -1.03 . . . . 71.42 108.219 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.4 m -124.63 163.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 CA-C-N 116.026 -0.534 . . . . 71.34 111.51 177.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -150.45 152.55 34.45 Favored 'General case' 0 C--N 1.281 -2.39 0 CA-C-N 115.154 -0.93 . . . . 60.12 109.324 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.38 137.72 13.86 Favored Glycine 0 C--N 1.28 -2.556 0 C-N-CA 119.456 -1.354 . . . . 60.24 111.836 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.501 HD22 ' HB2' ' B' ' 778' ' ' PRO . 11.8 m120 -113.53 145.46 41.18 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 109.099 -0.704 . . . . 74.32 109.099 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.581 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 24.7 ttt85 -133.17 133.84 43.34 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 109.57 -0.53 . . . . 74.42 109.57 -177.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 5.0 m -65.56 117.19 7.68 Favored 'General case' 0 N--CA 1.423 -1.794 0 O-C-N 123.787 0.68 . . . . 75.24 109.423 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.11 -42.34 99.54 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 122.81 0.444 . . . . 73.4 111.533 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -89.71 -33.84 16.45 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.441 0.639 . . . . 72.03 110.657 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 9.7 t-20 -89.73 -29.04 18.99 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 114.5 1.296 . . . . 73.14 114.5 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 61.84 9.7 3.09 Favored 'General case' 0 N--CA 1.511 2.609 0 N-CA-C 115.412 1.634 . . . . 54.04 115.412 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 613' ' ' ASN . . . -97.54 5.77 49.07 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.478 -0.764 . . . . 73.25 111.126 -176.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 9.0 m-20 69.48 152.93 0.1 Allowed 'General case' 0 N--CA 1.435 -1.205 0 C-N-CA 125.343 1.457 . . . . 61.31 109.802 -176.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 96.3 mt -99.56 -10.58 21.89 Favored 'General case' 0 C--N 1.276 -2.6 0 N-CA-C 107.529 -1.286 . . . . 74.45 107.529 174.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 97.69 -164.52 21.93 Favored Glycine 0 CA--C 1.523 0.534 0 CA-C-N 114.648 -1.16 . . . . 43.51 112.375 -177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.467 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 45.8 mm -105.26 129.07 58.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.746 -0.835 . . . . 74.11 108.746 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.5 m-85 -123.73 149.85 45.06 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 122.344 0.258 . . . . 71.23 110.783 -177.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.5 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.6 t -67.49 136.26 26.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.404 0.621 . . . . 73.24 110.487 173.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -106.37 -45.53 4.25 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.204 -0.453 . . . . 74.2 111.228 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 33.4 t -148.52 142.33 25.68 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 109.67 -0.493 . . . . 63.35 109.67 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.64 131.58 40.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.316 -0.994 . . . . 63.22 108.316 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.612 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 72.0 mt -93.55 123.47 45.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 110.04 -0.356 . . . . 75.22 110.04 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.15 132.16 45.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.671 -0.863 . . . . 62.11 108.671 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 91.82 42.88 4.63 Favored Glycine 0 C--N 1.297 -1.597 0 C-N-CA 120.247 -0.977 . . . . 75.24 110.97 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -139.87 140.27 10.58 Favored Glycine 0 N--CA 1.431 -1.662 0 N-CA-C 110.18 -1.168 . . . . 71.33 110.18 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.06 -30.26 71.34 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.374 0.509 . . . . 72.52 112.374 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.23 -32.87 69.29 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.551 0.691 . . . . 73.42 109.694 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 19.2 m -73.59 -47.09 43.07 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 114.228 -1.351 . . . . 64.33 109.783 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -75.92 -52.54 10.07 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 114.186 1.18 . . . . 72.52 114.186 -177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -79.0 -52.76 7.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.226 0.824 . . . . 74.41 113.226 -170.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -88.74 -42.44 5.72 Favored Glycine 0 CA--C 1.495 -1.164 0 C-N-CA 120.103 -1.046 . . . . 54.44 111.968 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 71.57 95.43 0.07 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 122.429 1.109 . . . . 72.03 111.453 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . 0.414 HD12 HG21 ' A' ' 603' ' ' VAL . 90.4 mt -88.43 179.66 6.27 Favored 'General case' 0 C--N 1.268 -2.974 0 CA-C-N 113.634 -1.621 . . . . 74.51 109.315 175.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.607 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 0.2 OUTLIER -136.55 176.19 8.93 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.598 -0.889 . . . . 70.52 108.598 -175.223 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 70.6 t -88.79 132.41 33.71 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.938 0 C-N-CA 120.466 -0.494 . . . . 72.22 109.794 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 73.04 23.95 2.61 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 125.224 1.409 . . . . 61.33 111.77 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.607 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 2.9 p30 -78.58 151.14 32.57 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 118.095 -1.442 . . . . 60.12 109.436 171.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -92.39 115.11 27.8 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 116.022 -0.536 . . . . 71.22 112.215 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.458 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -76.57 109.52 10.38 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.673 0.749 . . . . 63.11 109.894 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.6 mm -87.19 -53.57 9.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.982 -1.008 . . . . 73.22 110.039 -176.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -134.56 142.87 47.1 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 115.332 -0.849 . . . . 70.35 110.014 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 662' ' ' LEU . 10.0 p -126.99 119.57 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.276 0 CA-C-O 121.986 0.898 . . . . 73.14 111.299 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.465 ' HB2' HG13 ' A' ' 676' ' ' ILE . 56.6 t30 51.35 47.74 24.28 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.002 -1.454 . . . . 74.22 110.007 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 105.35 -51.8 0.75 Allowed Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.102 -1.047 . . . . 63.42 114.836 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.507 ' OE2' HG21 ' A' ' 661' ' ' THR . 36.7 tt0 -85.34 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.573 0.687 . . . . 72.52 112.008 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 45.6 m -84.5 120.27 26.12 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.652 -0.499 . . . . 52.52 109.652 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.01 -22.6 42.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 109.835 -0.431 . . . . 72.2 109.835 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.15 93.03 0.57 Allowed 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 107.603 -1.258 . . . . 64.15 107.603 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 161.75 -36.39 0.38 Allowed Glycine 0 C--N 1.301 -1.386 0 N-CA-C 110.375 -1.09 . . . . 55.34 110.375 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -104.29 156.04 18.24 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 110.301 -0.259 . . . . 73.11 110.301 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.28 168.6 5.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.912 0.485 . . . . 52.34 111.442 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 659' ' ' MET . 12.7 m120 -52.93 -49.95 64.99 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 112.075 0.398 . . . . 63.53 112.075 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.675 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -63.88 -42.46 97.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.819 0.342 . . . . 74.45 110.686 -175.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.11 -45.88 91.51 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.568 -0.742 . . . . 74.2 109.611 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.03 99.8 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 115.21 -0.905 . . . . 70.13 111.496 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.638 ' HE2' ' HB2' ' B' ' 782' ' ' LEU . 84.7 mtp -70.54 -37.08 74.02 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 116.524 -0.307 . . . . 71.43 110.95 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 16.1 mm-40 -65.59 -41.38 92.88 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-O 120.854 0.359 . . . . 75.04 110.692 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . 0.507 HG21 ' OE2' ' A' ' 648' ' ' GLU . 54.7 m -65.6 -43.46 89.6 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.792 -0.64 . . . . 72.31 109.53 176.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.599 ' O ' ' HG3' ' A' ' 666' ' ' MET . 56.7 tp -53.74 -55.5 25.72 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.922 -1.035 . . . . 73.24 111.037 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 659' ' ' MET . 43.6 mtm105 -54.84 -44.82 74.28 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.607 0.567 . . . . 70.1 110.861 -177.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -68.97 -51.29 41.01 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.841 -0.618 . . . . 74.43 111.58 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 36.7 m -77.53 -28.8 52.06 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 113.576 0.954 . . . . 71.24 113.576 -170.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 3.1 ppp? -76.2 -24.39 54.68 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.066 -1.054 . . . . 75.15 110.174 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 36.2 t -92.32 -56.86 2.89 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.598 -0.728 . . . . 72.54 109.777 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 52.6 m -71.21 -60.33 2.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 116.166 -0.47 . . . . 44.24 111.635 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -71.83 -27.75 63.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 120.95 0.405 . . . . 73.31 110.923 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -61.24 -54.28 37.66 Favored Glycine 0 CA--C 1.507 -0.443 0 N-CA-C 111.31 -0.716 . . . . 43.34 111.31 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -68.46 -19.51 64.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.169 0.509 . . . . 73.45 111.078 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.09 -53.17 10.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.144 -0.48 . . . . 62.15 110.558 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -69.16 -32.19 71.37 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.026 -0.534 . . . . 71.05 110.93 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 105.39 -36.88 4.11 Favored Glycine 0 C--N 1.309 -0.935 0 N-CA-C 110.1 -1.2 . . . . 65.22 110.1 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -136.58 154.17 50.76 Favored 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 108.849 -0.797 . . . . 72.21 108.849 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.495 HD13 HD11 ' A' ' 601' ' ' LEU . 8.7 tt -111.05 135.09 51.26 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 115.282 -0.872 . . . . 70.03 110.629 -176.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -104.44 115.78 30.97 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.557 -0.747 . . . . 72.14 111.793 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.1 mm? -110.96 128.9 55.99 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 109.479 -0.563 . . . . 74.14 109.479 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.0 118.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.974 -1.491 . . . . 73.44 106.974 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.36 153.04 26.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 N-CA-C 109.194 -0.669 . . . . 75.34 109.194 -178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -110.66 124.8 52.62 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 109.06 -0.719 . . . . 71.31 109.06 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -113.81 125.49 54.15 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 108.264 -1.013 . . . . 65.12 108.264 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 683' ' ' ARG 0.283 0.0 OUTLIER -87.8 130.59 34.81 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 117.556 -1.658 . . . . 75.24 109.715 174.569 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.29 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 CA-C-O 121.593 0.711 . . . . 64.2 109.258 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 13.2 m -64.92 107.71 1.56 Allowed 'General case' 0 N--CA 1.426 -1.642 0 N-CA-C 106.657 -1.608 . . . . 73.53 106.657 172.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.21 118.11 6.96 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.364 0.602 . . . . 75.5 112.052 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 13.4 p -91.05 136.68 32.92 Favored 'General case' 0 N--CA 1.42 -1.959 0 CA-C-N 115.068 -0.969 . . . . 63.51 109.021 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -150.23 135.69 18.12 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.841 -0.429 . . . . 72.21 109.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--N 1.309 -1.195 0 CA-C-N 116.383 -0.371 . . . . 72.53 110.641 179.036 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.302 0.572 . . . . 65.12 110.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . 0.471 ' O ' HD12 ' B' ' 770' ' ' LEU . 3.2 pp -93.55 136.98 33.29 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.77 -0.65 . . . . 73.52 111.068 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -169.39 94.81 0.3 Allowed 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.801 -0.636 . . . . 72.33 109.614 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.03 125.42 24.87 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.904 -0.589 . . . . 72.13 110.33 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . 0.452 ' H ' HD23 ' B' ' 773' ' ' LEU . 1.9 pt? -136.13 165.58 25.39 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 116.019 -0.537 . . . . 65.42 109.931 -177.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -138.8 17.81 2.67 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.334 0.588 . . . . 61.44 111.331 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 113.49 -125.87 7.16 Favored Glycine 0 N--CA 1.429 -1.797 0 CA-C-N 115.559 -0.746 . . . . 70.14 111.713 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 47.1 m -61.44 104.3 0.4 Allowed 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 123.283 0.633 . . . . 75.42 109.478 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -67.9 113.88 17.2 Favored Pre-proline 0 C--N 1.301 -1.529 0 CA-C-N 114.524 -1.216 . . . . 64.14 111.464 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . 0.501 ' HB2' HD22 ' A' ' 608' ' ' ASN . 56.0 Cg_endo -100.69 38.65 0.07 OUTLIER 'Trans proline' 0 N--CA 1.436 -1.878 0 C-N-CA 123.236 2.624 . . . . 75.11 108.306 173.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -94.49 12.71 26.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.865 -1.062 . . . . 63.22 110.804 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.76 104.96 7.54 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 120.936 0.398 . . . . 73.51 110.351 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -107.78 145.5 33.47 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.224 -0.898 . . . . 74.53 110.524 -177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.638 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.1 tm? -146.65 132.05 18.6 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 107.898 -1.149 . . . . 61.23 107.898 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . 0.421 ' N ' HD12 ' B' ' 783' ' ' ILE . 1.9 mp -105.04 132.06 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 109.048 -0.723 . . . . 64.44 109.048 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.454 HD12 HD22 ' A' ' 601' ' ' LEU . 18.9 pt . . . . . 0 N--CA 1.411 -2.391 0 CA-C-O 117.488 -1.244 . . . . 64.43 111.15 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.824 0 N-CA-C 111.262 -0.735 . . . . 65.1 111.262 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . 0.576 ' O ' ' HB ' ' A' ' 583' ' ' THR . 50.8 m -138.37 135.86 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.722 -0.844 . . . . 64.14 108.722 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.74 148.21 44.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.125 -0.694 . . . . 64.21 109.125 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 76.75 29.95 56.8 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 108.145 -1.982 . . . . 65.54 108.145 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 580' ' ' SER . 12.5 t -63.07 134.92 56.86 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.085 0.945 . . . . 61.54 112.815 -172.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 682' ' ' ARG . 20.8 ptp180 -102.99 144.48 31.2 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.524 -1.216 . . . . 72.21 108.955 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 15.2 pt-20 -123.41 160.42 26.87 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.745 -0.835 . . . . 73.54 108.745 178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -106.27 127.71 53.44 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 120.717 0.294 . . . . 74.5 110.648 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.57 143.78 37.13 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.379 -0.971 . . . . 64.53 108.379 174.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 50.2 m -111.22 122.85 48.93 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 116.101 -0.499 . . . . 74.35 109.839 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.46 119.69 35.3 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.243 -0.651 . . . . 62.12 109.243 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -108.5 116.03 31.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.268 -0.642 . . . . 74.33 109.268 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 676' ' ' ILE . 66.2 t -105.67 116.86 59.27 Favored Pre-proline 0 C--N 1.28 -2.448 0 CA-C-N 115.2 -0.909 . . . . 65.33 109.154 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.65 148.69 47.65 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 121.61 1.54 . . . . 72.1 109.895 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.54 71.44 3.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.027 0.918 . . . . 62.13 111.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 629' ' ' ALA . 2.3 m-20 -123.77 129.39 50.99 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.207 -1.361 . . . . 50.22 108.253 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 63.29 22.39 13.29 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.866 0.841 . . . . 71.33 109.88 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.8 m -102.24 114.01 27.79 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-N 114.488 -1.233 . . . . 40.35 108.371 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 175.45 -46.57 0.13 Allowed Glycine 0 C--N 1.278 -2.654 0 N-CA-C 108.943 -1.663 . . . . 74.43 108.943 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 45.4 m -74.33 -29.68 61.71 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.861 0.839 . . . . 72.15 109.481 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -143.75 148.64 35.93 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 104.209 -2.515 . . . . 73.43 104.209 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -71.16 -56.78 6.67 Favored Glycine 0 C--N 1.282 -2.46 0 N-CA-C 110.528 -1.029 . . . . 65.0 110.528 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 676' ' ' ILE . 15.3 mt -115.87 -33.06 5.24 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.547 -1.279 . . . . 65.4 107.547 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.61 49.22 3.47 Favored Glycine 0 N--CA 1.4 -3.755 0 N-CA-C 109.25 -1.54 . . . . 70.43 109.25 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 15.0 t -139.23 153.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 106.381 -1.711 . . . . 60.3 106.381 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.0 m -113.42 135.42 53.89 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 108.067 -1.086 . . . . 75.34 108.067 174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.407 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.0 m -124.53 162.3 26.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 121.108 0.48 . . . . 65.23 111.553 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.561 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 64.5 pttt -148.99 154.24 39.08 Favored 'General case' 0 C--N 1.282 -2.351 0 CA-C-N 115.204 -0.907 . . . . 74.53 108.821 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.72 128.88 9.62 Favored Glycine 0 N--CA 1.411 -2.994 0 C-N-CA 119.343 -1.408 . . . . 73.24 111.585 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 620' ' ' PHE . 4.4 m-20 -99.72 121.65 41.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 107.775 -1.194 . . . . 61.13 107.775 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.54 ' HD3' ' OD2' ' A' ' 616' ' ' ASP . 35.6 ttp180 -129.45 148.83 51.4 Favored 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 109.745 -0.465 . . . . 74.14 109.745 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.566 ' HB3' ' OE2' ' A' ' 612' ' ' GLU . 51.3 m -114.92 96.52 5.75 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.574 -0.739 . . . . 63.32 110.728 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -44.17 73.88 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.01 1.324 . . . . 75.24 109.923 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . 0.566 ' OE2' ' HB3' ' A' ' 610' ' ' SER . 0.0 OUTLIER -64.5 -21.95 66.82 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.985 1.105 . . . . 64.11 113.985 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -105.43 -7.01 19.01 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-O 121.799 0.809 . . . . 73.25 108.913 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 62.04 20.82 11.9 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.546 1.538 . . . . 74.1 111.201 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -123.07 138.0 54.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.898 -0.501 . . . . 74.42 110.659 -175.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.54 ' OD2' ' HD3' ' A' ' 609' ' ' ARG . 2.0 m-20 -81.12 138.46 35.91 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 105.554 -2.017 . . . . 64.34 105.554 175.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.5 mt -87.98 -14.76 38.29 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 108.239 -1.023 . . . . 71.4 108.239 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 119.8 -171.24 14.37 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.697 -1.138 . . . . 75.25 112.572 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.19 128.16 55.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.418 -0.956 . . . . 72.43 108.418 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 80.6 m-85 -122.51 142.17 50.88 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 123.292 0.37 . . . . 65.51 110.448 -177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 80.6 t -63.4 132.94 29.39 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 CA-C-O 121.375 0.607 . . . . 71.51 110.742 174.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.49 -40.28 5.62 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-N 116.332 -0.394 . . . . 72.22 111.238 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 20.0 m -149.43 143.48 25.73 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.218 -0.66 . . . . 72.21 109.218 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.17 133.29 42.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.596 -0.89 . . . . 72.34 108.596 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.3 mt -97.55 111.95 28.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.968 -0.753 . . . . 71.24 108.968 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -75.0 113.8 12.74 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 115.547 -0.751 . . . . 75.03 109.458 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.93 -26.18 2.51 Favored Glycine 0 N--CA 1.429 -1.801 0 N-CA-C 109.987 -1.245 . . . . 53.02 109.987 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 158.49 34.97 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.974 -0.632 . . . . 55.14 111.623 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 594' ' ' ASN . . . -63.4 -32.19 73.55 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 111.867 0.321 . . . . 33.24 111.867 -178.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -67.38 -30.0 69.68 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 121.027 0.442 . . . . 53.21 110.053 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.571 ' O ' ' HB2' ' A' ' 635' ' ' ARG . 42.3 t -78.86 -48.96 13.7 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.101 -0.954 . . . . 62.21 110.196 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.657 ' O ' ' HE2' ' A' ' 632' ' ' LYS . 0.0 OUTLIER -65.33 -52.38 54.29 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.856 -0.611 . . . . 74.23 110.354 -176.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -79.44 -53.96 6.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.196 1.184 . . . . 72.35 114.196 -170.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -101.75 -44.13 2.0 Allowed Glycine 0 C--O 1.229 -0.197 0 C-N-CA 119.273 -1.442 . . . . 31.22 114.252 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 631' ' ' SER . 32.6 ttm180 55.84 96.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.98 1.312 . . . . 62.42 112.814 -175.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . 0.567 ' HB3' ' OD2' ' A' ' 640' ' ' ASP . 6.0 mp -77.58 -167.72 1.01 Allowed 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.237 -1.347 . . . . 72.03 110.456 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.602 ' NE ' ' HB3' ' A' ' 640' ' ' ASP . 5.0 ppt_? -131.0 148.29 52.73 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.449 0.642 . . . . 74.4 112.167 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.7 t -61.66 131.65 26.89 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 115.635 -0.711 . . . . 72.11 109.262 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 83.37 11.74 0.45 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.394 1.477 . . . . 65.41 112.59 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.602 ' HB3' ' NE ' ' A' ' 637' ' ' ARG 0.29 2.9 p30 -74.29 142.41 45.23 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 117.098 -1.841 . . . . 62.12 111.713 174.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.77 113.9 24.82 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.658 -0.701 . . . . 74.51 112.227 -177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.407 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -73.83 109.59 7.46 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.589 0.709 . . . . 60.13 110.396 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 651' ' ' LEU . 47.4 mm -89.89 -55.42 6.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 115.133 -0.939 . . . . 63.53 110.76 -175.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -139.4 145.44 38.93 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.995 -1.002 . . . . 73.14 110.655 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 678' ' ' LEU . 14.0 p -126.2 127.87 71.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.366 -0.976 . . . . 72.04 108.366 179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.5 m-20 51.67 34.4 12.73 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.756 0.789 . . . . 75.41 112.371 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 88.03 -14.55 58.61 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.907 -1.042 . . . . 73.54 113.673 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -90.21 125.42 35.47 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 117.751 0.775 . . . . 74.2 109.281 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 35.3 t -84.66 136.46 33.74 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.068 0.461 . . . . 53.0 110.244 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.6 pt? -130.82 17.42 5.18 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.943 0.877 . . . . 62.42 109.139 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 643' ' ' ILE . 4.3 tt -55.47 -31.18 61.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.792 -1.549 . . . . 71.04 111.291 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -110.14 14.72 30.97 Favored Glycine 0 N--CA 1.434 -1.447 0 C-N-CA 120.24 -0.981 . . . . 43.4 114.335 -173.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -109.95 163.7 13.31 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 118.798 -1.161 . . . . 63.32 110.599 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.74 152.96 37.82 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.42 0.45 . . . . 51.54 111.309 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 13.6 m120 -55.0 -42.39 72.45 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.537 0.569 . . . . 70.41 112.537 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.29 -44.58 94.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.06 0.457 . . . . 70.41 110.123 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.25 -38.33 90.68 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.331 -0.85 . . . . 72.41 109.615 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -63.1 -44.01 96.87 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.645 -1.161 . . . . 33.13 111.102 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 mmt -58.4 -45.77 87.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 120.903 0.383 . . . . 64.15 110.52 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.43 -41.36 98.67 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.599 -0.728 . . . . 75.2 110.014 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.9 m -61.34 -48.9 79.17 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.474 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.7 mt -56.81 -56.11 25.68 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 116.361 -0.381 . . . . 74.03 110.863 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.26 -34.29 74.92 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.423 0.452 . . . . 74.34 111.174 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.55 -50.53 62.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.838 -0.619 . . . . 71.11 110.209 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 70.9 m -65.57 -32.94 74.8 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 116.77 -0.195 . . . . 71.04 111.442 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -67.86 -41.69 82.5 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.07 0.462 . . . . 73.44 110.441 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 27.5 t -80.8 -48.53 12.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.569 -0.741 . . . . 75.21 110.891 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 64.6 m -76.52 -53.68 7.75 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.202 0.525 . . . . 73.31 112.144 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.56 -40.07 11.55 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.133 -0.485 . . . . 51.43 112.126 -173.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -56.98 -58.71 13.15 Favored Glycine 0 C--O 1.249 1.069 0 CA-C-N 116.022 -0.535 . . . . 61.24 112.193 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -81.05 69.43 7.65 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.74 0.781 . . . . 73.42 109.989 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -174.67 -53.51 0.01 OUTLIER 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 113.885 -1.507 . . . . 71.22 107.669 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -67.98 -21.85 65.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.328 -0.851 . . . . 73.12 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.73 -30.32 9.08 Favored Glycine 0 CA--C 1.5 -0.868 0 N-CA-C 110.774 -0.931 . . . . 64.53 110.774 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.8 ptp -143.93 155.42 44.05 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.257 -1.016 . . . . 61.22 108.257 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.562 HG21 HD21 ' A' ' 601' ' ' LEU . 7.3 tt -110.28 133.44 55.66 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 CA-C-N 115.7 -0.682 . . . . 74.41 109.342 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -101.91 126.0 48.72 Favored 'General case' 0 C--N 1.28 -2.456 0 CA-C-N 115.362 -0.836 . . . . 65.41 110.237 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.2 mm? -119.38 123.79 45.0 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.629 -0.878 . . . . 63.41 108.629 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.25 117.11 50.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 N-CA-C 106.911 -1.515 . . . . 73.13 106.911 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 34.1 m -123.28 152.91 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 110.027 -0.36 . . . . 72.21 110.027 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -113.26 146.67 38.97 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.283 0.564 . . . . 64.34 112.042 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.445 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 19.8 ptt180 -139.41 155.71 47.44 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.216 -0.902 . . . . 70.23 108.609 173.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . 0.598 ' O ' ' HG3' ' A' ' 686' ' ' ARG . 63.1 mtt180 -92.31 125.98 37.2 Favored 'General case' 0 C--N 1.285 -2.216 0 CA-C-O 121.072 0.463 . . . . 72.22 110.198 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.26 -17.74 21.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 CA-C-O 122.435 1.112 . . . . 75.03 108.439 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 13.6 m -83.55 4.59 27.46 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 113.962 -1.472 . . . . 72.2 112.27 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 683' ' ' ARG 0.272 0.1 OUTLIER -90.69 130.78 36.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 118.613 -1.235 . . . . 72.44 113.137 179.751 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 48.2 t -123.52 84.47 2.28 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.079 -1.452 . . . . 62.15 107.079 173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -173.02 140.79 0.92 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.506 -0.77 . . . . 72.52 109.248 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.306 -1.305 0 N-CA-C 109.785 -0.45 . . . . 70.0 109.785 177.3 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 CA--C 1.509 -0.627 0 N-CA-C 109.68 -0.489 . . . . 75.13 109.68 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 98.9 mt -128.51 146.0 50.95 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 120.876 0.37 . . . . 73.21 110.498 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -111.96 -63.83 1.37 Allowed 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.541 -1.281 . . . . 72.13 107.541 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 58.26 91.07 0.04 OUTLIER 'General case' 0 C--O 1.246 0.874 0 C-N-CA 125.156 1.383 . . . . 61.12 112.119 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.2 mp 62.37 98.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 114.367 -1.288 . . . . 75.3 111.585 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -115.99 -67.86 0.96 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.799 -1.185 . . . . 61.44 107.799 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -163.54 96.74 0.14 Allowed Glycine 0 N--CA 1.406 -3.305 0 CA-C-N 115.15 -0.932 . . . . 73.23 111.977 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 44.6 m -130.96 -176.52 4.03 Favored 'General case' 0 N--CA 1.408 -2.568 0 N-CA-C 105.772 -1.936 . . . . 41.14 105.772 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -116.02 125.46 28.59 Favored Pre-proline 0 C--N 1.278 -2.507 0 C-N-CA 120.632 -0.427 . . . . 52.41 111.412 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.16 -18.04 45.33 Favored 'Trans proline' 0 CA--C 1.512 -0.62 0 C-N-CA 123.589 2.859 . . . . 65.42 113.824 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 66.4 93.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.105 0.878 . . . . 61.25 110.759 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 0.6 OUTLIER -79.63 127.35 32.06 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-O 121.506 0.67 . . . . 74.31 110.559 176.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.4 mt-10 -117.39 132.33 56.6 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 114.422 -1.263 . . . . 72.12 110.226 -176.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.8 tp -134.29 131.36 38.32 Favored 'General case' 0 N--CA 1.397 -3.119 0 CA-C-N 115.455 -0.793 . . . . 73.42 110.426 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.63 125.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.12 -1.067 . . . . 64.04 108.12 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.52 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 14.1 pt . . . . . 0 N--CA 1.413 -2.32 0 CA-C-O 117.98 -1.01 . . . . 72.34 108.486 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.053 0 N-CA-C 110.643 -0.983 . . . . 71.4 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.6 m 64.66 29.8 12.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.801 0.81 . . . . 64.14 110.625 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.43 -22.75 58.99 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.738 -1.119 . . . . 73.44 110.123 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -84.67 24.85 6.19 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.475 -0.784 . . . . 61.51 113.466 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 27.9 m -81.56 -59.24 2.68 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.61 -1.255 . . . . 74.41 107.61 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -139.57 147.44 41.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 107.87 -1.159 . . . . 71.11 107.87 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -134.81 157.54 46.51 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-O 121.103 0.477 . . . . 53.14 111.151 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.29 122.5 36.9 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.233 -0.894 . . . . 75.43 110.788 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 8.0 mp -109.77 144.0 38.81 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 116.032 -0.531 . . . . 73.1 109.571 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 35.9 m -111.01 121.31 45.04 Favored 'General case' 0 N--CA 1.417 -2.105 0 CA-C-O 121.432 0.634 . . . . 62.15 109.552 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . 0.455 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 50.0 m-85 -117.2 119.88 36.56 Favored 'General case' 0 C--N 1.29 -2.015 0 N-CA-C 108.558 -0.905 . . . . 51.12 108.558 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.41 121.84 46.26 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.345 0.593 . . . . 74.3 110.273 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.426 ' HB ' HG23 ' A' ' 676' ' ' ILE . 85.5 t -114.58 117.84 42.07 Favored Pre-proline 0 C--N 1.285 -2.204 0 CA-C-N 114.782 -1.099 . . . . 75.34 109.894 -172.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.73 148.56 25.74 Favored 'Trans proline' 0 N--CA 1.442 -1.534 0 C-N-CA 121.57 1.513 . . . . 53.13 111.354 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.23 84.1 1.37 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.199 -1.037 . . . . 74.42 108.199 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -105.54 -75.91 0.62 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.544 -1.207 . . . . 71.42 111.166 -177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.09 31.51 3.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 107.111 -1.44 . . . . 62.33 107.111 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 42.9 m -71.02 9.69 0.67 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.496 -1.229 . . . . 65.31 113.947 -174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.41 39.48 Favored Glycine 0 N--CA 1.426 -1.976 0 N-CA-C 111.384 -0.686 . . . . 61.32 111.384 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 56.3 p -82.62 -37.37 25.07 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 122.199 0.999 . . . . 63.45 109.757 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.637 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -165.54 152.29 10.1 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 103.863 -2.643 . . . . 52.04 103.863 177.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -63.18 -54.61 31.53 Favored Glycine 0 C--N 1.294 -1.799 0 N-CA-C 111.391 -0.683 . . . . 34.43 111.391 -174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.619 HD11 HD13 ' A' ' 676' ' ' ILE . 7.3 mp -115.01 -33.52 5.38 Favored 'General case' 0 C--N 1.28 -2.431 0 N-CA-C 108.752 -0.833 . . . . 73.33 108.752 176.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 88.0 46.4 4.79 Favored Glycine 1 N--CA 1.395 -4.09 0 N-CA-C 109.269 -1.533 . . . . 43.23 109.269 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.41 151.71 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.973 0 N-CA-C 106.531 -1.655 . . . . 73.45 106.531 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 22.9 m -114.79 133.83 55.61 Favored 'General case' 0 N--CA 1.397 -3.091 0 N-CA-C 107.174 -1.417 . . . . 71.21 107.174 171.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.5 m -124.88 159.86 30.88 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.669 0 CA-C-N 115.887 -0.597 . . . . 75.44 111.247 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.496 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 21.4 pttp -148.61 152.79 37.37 Favored 'General case' 0 C--N 1.282 -2.367 0 CA-C-N 115.597 -0.728 . . . . 74.31 109.53 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -113.0 128.45 8.41 Favored Glycine 0 C--N 1.284 -2.325 0 C-N-CA 119.248 -1.454 . . . . 44.23 113.369 -178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.04 139.4 39.78 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.632 -0.877 . . . . 75.44 108.632 176.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.486 ' HB3' ' OD1' ' A' ' 655' ' ' ASN . 18.2 ptt-85 -135.41 162.25 33.15 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 109.614 -0.513 . . . . 73.34 109.614 175.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.538 ' CB ' ' HB2' ' A' ' 614' ' ' HIS . 66.5 m -73.02 135.78 44.96 Favored 'General case' 0 C--N 1.27 -2.887 0 N-CA-C 108.834 -0.802 . . . . 72.05 108.834 172.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.59 ' O ' ' HD2' ' A' ' 614' ' ' HIS 0.423 3.1 mppt? -37.65 119.94 0.77 Allowed 'General case' 0 CA--C 1.49 -1.361 0 N-CA-C 117.426 2.38 . . . . 73.13 117.426 -165.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 75.48 -79.18 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 112.491 -2.141 . . . . 72.22 107.31 -175.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -168.05 72.3 0.1 Allowed 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.57 0.7 . . . . 63.23 110.697 171.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.59 ' HD2' ' O ' ' A' ' 611' ' ' LYS . 18.0 m-70 -79.97 -34.95 38.26 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.651 -1.241 . . . . 64.3 107.651 169.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . 174.15 155.64 0.13 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.147 -1.797 . . . . 75.2 106.147 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.19 149.55 23.81 Favored 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 108.243 -1.021 . . . . 72.22 108.243 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.06 -1.15 37.62 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.483 -0.932 . . . . 74.21 108.483 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 95.34 -172.99 30.92 Favored Glycine 0 N--CA 1.438 -1.181 0 CA-C-N 114.249 -1.341 . . . . 63.45 113.11 177.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.49 135.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.391 -0.966 . . . . 75.24 108.391 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -126.22 145.51 50.36 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.9 -0.408 . . . . 72.24 109.9 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.4 ' HA ' HG12 ' A' ' 605' ' ' VAL . 58.9 t -67.81 133.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 N-CA-C 109.763 -0.458 . . . . 74.23 109.763 173.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -42.58 4.66 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.05 0.452 . . . . 61.55 111.422 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 17.7 p -149.71 139.95 22.21 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 116.069 -0.514 . . . . 42.3 111.486 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -97.1 130.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.985 -0.746 . . . . 62.41 108.985 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 76.0 mt -87.96 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 107.861 -1.163 . . . . 72.31 107.861 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -65.72 118.75 10.04 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.517 -0.765 . . . . 74.12 111.37 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.46 -15.1 22.55 Favored Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.175 -1.012 . . . . 70.4 112.213 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -69.31 165.39 49.53 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 111.227 -0.749 . . . . 61.33 111.227 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.62 89.07 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 122.557 -0.378 . . . . 73.02 111.334 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.89 -25.94 63.01 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-O 121.332 0.587 . . . . 74.23 109.819 177.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 45.8 t -71.53 -49.08 44.34 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 115.002 -0.999 . . . . 24.14 109.616 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -75.0 -52.88 10.0 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 112.247 0.462 . . . . 75.0 112.247 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -80.35 -52.38 7.75 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.552 0.575 . . . . 74.12 112.552 -176.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -72.73 -43.74 41.71 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 120.56 -0.829 . . . . 63.14 113.383 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 58.13 36.67 26.07 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.142 0.496 . . . . 72.05 111.844 177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 5.0 mp -64.09 175.74 1.17 Allowed 'General case' 0 C--O 1.256 1.446 0 CA-C-O 121.926 0.869 . . . . 64.22 111.994 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.546 ' HG2' ' OD2' ' A' ' 640' ' ' ASP . 15.9 ptt180 -115.97 169.31 9.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.013 -0.994 . . . . 71.12 109.615 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 92.4 t -75.43 146.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 106.527 -1.657 . . . . 72.44 106.527 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 84.09 -0.86 1.02 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 113.848 1.055 . . . . 71.24 113.848 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.546 ' OD2' ' HG2' ' A' ' 637' ' ' ARG . 12.7 m-20 -63.3 128.21 34.82 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 118.747 -1.181 . . . . 62.42 109.978 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.59 115.36 26.05 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.772 -0.825 . . . . 75.14 108.772 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.1 mp -72.98 117.24 14.47 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.709 0.804 . . . . 74.34 112.145 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 42.3 mm -97.73 -56.08 5.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.05 -0.977 . . . . 72.32 110.953 -175.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.68 154.17 48.59 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.265 -0.88 . . . . 75.42 110.237 -176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.56 HG12 HD11 ' A' ' 650' ' ' LEU . 8.0 p -139.05 139.62 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.628 0 N-CA-C 109.007 -0.738 . . . . 74.31 109.007 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.42 ' OD1' HG22 ' A' ' 645' ' ' VAL . 17.5 m120 57.56 18.95 4.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.13 0.972 . . . . 71.24 112.407 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.05 6.91 62.89 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.738 -0.744 . . . . 42.32 112.765 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -118.85 133.25 55.96 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.795 -0.446 . . . . 72.52 109.795 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 59.6 m -88.95 137.02 32.69 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.907 0.706 . . . . 73.12 112.907 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.56 HD11 HG12 ' A' ' 645' ' ' VAL . 6.5 mp -109.28 -13.14 14.69 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 115.396 -0.82 . . . . 72.41 110.732 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.74 99.89 0.05 OUTLIER 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.044 0.84 . . . . 73.32 110.672 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 143.21 -25.57 2.19 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 115.4 -0.818 . . . . 50.31 111.606 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 18.1 ptpt -97.18 157.84 15.74 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.625 -0.43 . . . . 74.12 110.168 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.78 168.05 3.28 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.513 0.56 . . . . 74.21 112.513 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.486 ' OD1' ' HB3' ' A' ' 609' ' ' ARG . 13.3 m120 -60.49 -47.2 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.994 0.518 . . . . 60.05 111.608 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.8 -33.35 70.63 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.322 -0.399 . . . . 73.21 110.607 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -63.26 -40.57 97.78 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 109.394 -0.595 . . . . 74.13 109.394 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -60.5 -44.56 95.85 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.082 -0.963 . . . . 62.11 110.203 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.1 mtt -64.01 -37.82 88.8 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.595 -0.275 . . . . 74.25 111.363 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.14 -33.62 75.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.322 0.649 . . . . 72.24 109.903 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 42.6 m -74.97 -51.09 14.55 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.549 -0.75 . . . . 63.21 109.703 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.637 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.0 mt -50.96 -55.7 15.98 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.581 0.752 . . . . 73.03 111.951 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -55.15 -37.78 67.4 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 121.282 0.563 . . . . 74.21 110.755 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -76.16 -46.84 26.59 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.255 -0.884 . . . . 74.35 111.338 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 49.9 m -60.85 -35.98 77.96 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 120.706 0.289 . . . . 72.1 111.073 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.9 mtp -64.88 -36.83 85.63 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.405 0.621 . . . . 75.03 110.575 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 30.4 t -87.39 -48.9 7.6 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.476 -0.783 . . . . 54.34 110.758 -176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.1 m -73.61 -46.92 44.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.425 -0.352 . . . . 74.22 111.589 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -92.71 -45.86 7.84 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 112.079 0.4 . . . . 71.43 112.079 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -54.99 -61.86 6.91 Favored Glycine 0 C--O 1.249 1.05 0 O-C-N 123.545 0.528 . . . . 71.4 112.758 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.84 78.58 9.86 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.654 -0.818 . . . . 74.33 109.04 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 55.8 tptt 175.62 -45.49 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 125.586 1.554 . . . . 75.3 107.885 -177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -95.62 -2.56 47.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.497 -0.774 . . . . 61.42 112.484 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 86.12 -37.23 3.12 Favored Glycine 0 C--N 1.316 -0.576 0 C-N-CA 121.071 -0.585 . . . . 65.33 113.12 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -137.72 156.26 48.19 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.974 0.416 . . . . 64.42 110.759 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.619 HD13 HD11 ' A' ' 601' ' ' LEU . 9.3 tt -111.14 133.77 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.154 0 CA-C-N 115.055 -0.975 . . . . 55.01 109.299 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -102.8 128.38 49.58 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.856 -0.611 . . . . 74.43 110.471 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.491 HD13 HG23 ' A' ' 645' ' ' VAL . 1.6 mm? -116.95 128.42 55.18 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.407 -0.59 . . . . 70.54 109.407 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 95.8 mt -114.98 118.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 N-CA-C 107.984 -1.117 . . . . 62.13 107.984 176.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.93 161.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 CA-C-N 115.3 -0.864 . . . . 65.33 109.951 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -109.22 125.79 52.62 Favored 'General case' 0 N--CA 1.41 -2.448 0 N-CA-C 107.984 -1.117 . . . . 75.14 107.984 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 -109.43 120.22 41.84 Favored 'General case' 0 N--CA 1.403 -2.817 0 CA-C-N 114.093 -1.412 . . . . 72.42 109.299 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.59 123.13 31.44 Favored 'General case' 0 N--CA 1.423 -1.776 0 N-CA-C 105.854 -1.906 . . . . 74.31 105.854 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.3 mm -59.55 103.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 O-C-N 124.019 0.824 . . . . 73.54 110.74 -176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 38.1 p -164.07 -68.75 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.795 -1.093 . . . . 72.15 110.384 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . 0.449 ' O ' ' HD3' ' A' ' 686' ' ' ARG . 1.4 tmt_? 71.82 -34.98 0.31 Allowed 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 125.662 1.585 . . . . 65.43 110.772 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 67.4 m -65.73 147.47 53.33 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.882 -0.785 . . . . 55.43 108.882 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -155.47 142.35 19.03 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.041 0.448 . . . . 42.1 110.528 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.309 -1.164 0 CA-C-N 116.072 -0.513 . . . . 75.44 110.226 -179.18 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 109.457 -0.571 . . . . 73.3 109.457 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 85.7 mt -95.11 99.0 11.06 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 115.613 -0.721 . . . . 73.22 109.831 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -107.29 -52.73 2.72 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 115.902 -0.59 . . . . 71.44 109.536 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.11 138.24 31.53 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.066 -0.516 . . . . 65.34 110.167 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 5.7 mp -121.96 110.24 15.59 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.275 -1.009 . . . . 64.3 108.275 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . 0.489 ' O ' ' HG2' ' A' ' 611' ' ' LYS . 72.0 t80 -108.1 -61.93 1.52 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.892 -0.781 . . . . 73.55 108.892 -176.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 150.16 161.65 10.02 Favored Glycine 0 N--CA 1.419 -2.486 0 N-CA-C 109.17 -1.572 . . . . 75.5 109.17 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 45.2 m -84.38 70.63 10.67 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 122.034 0.921 . . . . 71.34 112.262 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -140.67 126.8 11.64 Favored Pre-proline 0 C--N 1.305 -1.331 0 N-CA-C 106.209 -1.775 . . . . 72.21 106.209 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -93.63 -2.26 3.18 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.954 1.769 . . . . 74.13 112.969 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 59.21 92.12 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 108.904 -0.776 . . . . 63.02 108.904 -174.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -56.67 136.78 54.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.348 -0.387 . . . . 75.12 110.959 -176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 34.4 mt-10 -115.98 131.35 56.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.095 0.558 . . . . 73.32 110.572 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 55.0 tp -127.17 128.33 45.96 Favored 'General case' 0 N--CA 1.419 -2.007 0 C-N-CA 123.452 0.701 . . . . 71.21 110.47 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.01 126.71 48.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.045 -1.094 . . . . 73.25 108.045 173.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.608 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 17.8 pt . . . . . 0 N--CA 1.415 -2.199 0 CA-C-O 117.597 -1.192 . . . . 74.43 111.391 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.999 0 N-CA-C 110.398 -1.081 . . . . 64.24 110.398 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 23.4 t -154.04 174.82 14.17 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.193 -1.04 . . . . 74.11 108.193 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 37.8 t70 60.27 90.11 0.06 Allowed 'General case' 0 C--O 1.241 0.605 0 CA-C-O 122.229 1.014 . . . . 62.41 110.93 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 146.26 91.05 0.1 Allowed Glycine 0 N--CA 1.419 -2.498 0 N-CA-C 108.384 -1.886 . . . . 70.12 108.384 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 8.9 m -78.08 70.5 4.46 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-O 122.027 0.918 . . . . 71.52 110.866 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -146.14 150.89 36.75 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.492 -1.231 . . . . 72.31 109.363 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.94 160.17 33.53 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.978 -0.749 . . . . 50.25 108.978 176.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -103.83 129.79 51.33 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 115.921 -0.582 . . . . 74.11 111.073 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 91.5 mt -118.69 131.9 56.16 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 115.673 -0.694 . . . . 72.32 110.767 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 48.8 m -107.13 122.19 46.0 Favored 'General case' 0 C--N 1.272 -2.776 0 CA-C-N 114.749 -1.114 . . . . 62.45 109.221 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.31 133.7 55.67 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.54 -0.755 . . . . 75.11 109.267 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -110.51 127.83 55.35 Favored 'General case' 0 C--N 1.282 -2.358 0 N-CA-C 108.712 -0.847 . . . . 73.22 108.712 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.451 ' HB ' HG23 ' A' ' 676' ' ' ILE . 66.5 t -119.61 115.73 33.65 Favored Pre-proline 0 C--N 1.281 -2.388 0 N-CA-C 107.72 -1.215 . . . . 71.12 107.72 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 675' ' ' MET . 57.8 Cg_endo -76.38 144.44 25.89 Favored 'Trans proline' 0 N--CA 1.422 -2.693 0 N-CA-C 108.713 -1.303 . . . . 70.52 108.713 174.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 87.6 mt -79.92 83.18 5.87 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-O 121.964 0.888 . . . . 75.15 108.765 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -66.96 -75.05 0.1 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.707 -1.588 . . . . 72.22 109.216 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -100.56 -73.36 0.64 Allowed 'General case' 0 CA--C 1.486 -1.518 0 N-CA-C 106.755 -1.572 . . . . 72.2 106.755 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.639 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 43.3 m 63.46 6.31 2.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 114.54 1.311 . . . . 73.24 114.54 170.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -78.19 -44.32 11.77 Favored Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 119.694 -1.241 . . . . 40.13 111.873 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 26.8 m -79.95 -37.67 33.98 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.73 0.776 . . . . 74.31 110.322 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.639 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -145.74 127.0 14.82 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.251 -1.759 . . . . 42.23 106.251 177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.92 -54.3 38.04 Favored Glycine 0 CA--C 1.486 -1.778 0 O-C-N 124.214 0.946 . . . . 60.35 111.616 -173.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 676' ' ' ILE . 11.5 mt -108.93 -27.2 9.82 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 108.261 -1.015 . . . . 62.51 108.261 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 79.89 48.32 6.64 Favored Glycine 0 N--CA 1.399 -3.819 0 N-CA-C 109.289 -1.524 . . . . 73.22 109.289 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.85 152.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.281 0 N-CA-C 106.403 -1.703 . . . . 74.22 106.403 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 m -113.09 137.28 51.67 Favored 'General case' 0 N--CA 1.395 -3.185 0 N-CA-C 107.048 -1.464 . . . . 63.41 107.048 172.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 621' ' ' VAL . 2.2 m -123.8 162.89 24.12 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 CA-C-O 121.278 0.561 . . . . 72.31 111.318 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.52 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 0.1 OUTLIER -139.95 152.73 46.57 Favored 'General case' 0 C--N 1.278 -2.517 0 N-CA-C 107.339 -1.356 . . . . 71.13 107.339 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -109.36 117.98 5.05 Favored Glycine 0 C--N 1.269 -3.16 0 C-N-CA 119.484 -1.341 . . . . 65.35 110.075 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.556 ' ND2' HD12 ' A' ' 617' ' ' LEU . 53.2 t30 -94.76 131.94 40.06 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.75 -0.833 . . . . 74.41 108.75 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 39.3 ttp180 -134.83 125.66 27.29 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 115.16 -0.927 . . . . 74.54 109.054 -175.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 35.5 m -78.67 118.02 20.37 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.122 -0.696 . . . . 72.24 109.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -77.76 -40.53 40.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.945 0.402 . . . . 62.42 110.813 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.04 -42.84 62.72 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.99 -0.55 . . . . 74.42 110.25 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.49 -13.7 59.71 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.472 0.653 . . . . 74.23 110.38 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 56.2 m80 62.46 21.55 12.67 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.316 1.046 . . . . 63.22 113.201 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -125.71 153.53 43.77 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.173 -0.677 . . . . 64.22 109.173 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 4.4 p-10 -87.04 150.76 23.81 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.998 -1.112 . . . . 75.25 107.998 177.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.556 HD12 ' ND2' ' A' ' 608' ' ' ASN . 75.6 mt -101.14 -5.18 25.99 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.265 0.555 . . . . 61.01 109.524 178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.44 -172.47 21.25 Favored Glycine 0 C--N 1.308 -1.001 0 CA-C-N 115.371 -0.831 . . . . 63.31 112.683 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 49.8 mm -96.43 134.78 32.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 N-CA-C 108.783 -0.821 . . . . 71.33 108.783 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 84.5 m-85 -129.63 147.9 51.47 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 109.744 -0.465 . . . . 71.14 109.744 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.463 ' HA ' HG12 ' A' ' 605' ' ' VAL . 87.1 t -66.98 126.78 27.27 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-O 121.295 0.569 . . . . 74.54 110.092 172.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 623' ' ' SER . 18.7 ptmt -97.94 -44.5 6.65 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 116.323 -0.399 . . . . 75.32 110.915 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 622' ' ' LYS . 37.8 t -150.04 146.31 26.9 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 109.025 -0.731 . . . . 62.21 109.025 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.82 132.03 46.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 109.249 -0.649 . . . . 62.21 109.249 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 75.6 mt -87.54 120.91 37.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-O 121.051 0.453 . . . . 74.22 110.033 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -67.03 117.98 9.83 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.342 -0.845 . . . . 71.45 108.855 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 106.03 5.26 38.29 Favored Glycine 0 N--CA 1.434 -1.479 0 C-N-CA 120.768 -0.73 . . . . 74.45 111.7 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.83 22.94 Favored Glycine 0 N--CA 1.438 -1.17 0 C-N-CA 120.619 -0.8 . . . . 54.1 111.328 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.24 88.49 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 117.399 0.599 . . . . 72.44 110.918 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -65.46 -25.81 67.67 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 116.334 -0.394 . . . . 71.13 111.221 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 93.0 p -74.98 -48.42 24.37 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.434 -0.906 . . . . 70.41 110.473 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -76.94 -50.81 12.4 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.068 0.461 . . . . 71.22 112.111 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.96 -50.9 11.26 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.492 0.553 . . . . 73.34 112.492 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.41 -43.77 8.36 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.62 -1.276 . . . . 51.33 113.559 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 61.91 76.72 0.36 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.857 0.837 . . . . 45.4 112.082 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.1 mp -96.14 -170.77 2.17 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.713 -1.131 . . . . 65.54 109.695 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.623 ' NH2' ' HA ' ' A' ' 682' ' ' ARG . 23.0 ptt85 -136.26 171.3 14.68 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.221 0.534 . . . . 74.32 110.125 -176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -79.67 139.37 18.39 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.875 0 N-CA-C 108.224 -1.028 . . . . 72.24 108.224 172.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 77.2 11.99 2.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 124.924 1.289 . . . . 72.2 112.898 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.456 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 2.7 p30 -74.81 141.34 44.32 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 117.097 -1.841 . . . . 55.14 109.645 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.74 119.2 32.42 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.546 -0.909 . . . . 71.5 108.546 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.435 ' HA ' HG12 ' A' ' 680' ' ' VAL . 6.6 mp -72.84 109.61 6.55 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.7 0.8 . . . . 63.41 111.058 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 651' ' ' LEU . 48.6 mm -87.46 -55.03 6.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.721 -1.127 . . . . 75.12 110.534 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -144.01 157.12 44.53 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.263 -0.88 . . . . 74.54 110.575 -176.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.521 HG23 HD13 ' A' ' 678' ' ' LEU . 15.0 p -138.07 132.6 43.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.884 -0.784 . . . . 74.04 108.884 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 52.42 23.98 2.75 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.705 1.002 . . . . 62.52 113.705 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.28 59.36 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 115.743 -0.662 . . . . 65.13 113.478 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.18 131.64 35.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 122.234 -0.568 . . . . 74.55 110.015 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 19.6 p -93.51 152.24 19.19 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 122.969 0.508 . . . . 65.53 112.086 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.417 HD23 ' HB1' ' A' ' 658' ' ' ALA . 4.1 mp -121.41 18.69 11.37 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.066 -178.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 643' ' ' ILE . 2.0 mm? -79.27 103.05 8.93 Favored 'General case' 0 C--N 1.305 -1.326 0 C-N-CA 120.555 -0.458 . . . . 72.44 110.008 -176.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 134.65 -30.23 2.89 Favored Glycine 0 C--N 1.3 -1.447 0 C-N-CA 120.424 -0.893 . . . . 54.24 112.347 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -87.02 155.58 20.1 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 120.878 -0.329 . . . . 62.41 110.619 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.87 169.43 13.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.99 0.367 . . . . 61.33 111.99 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -57.08 -46.74 82.3 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.234 0.614 . . . . 73.32 111.341 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -68.08 -31.57 71.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.098 -0.501 . . . . 53.22 111.359 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.02 -38.81 63.94 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.653 -0.869 . . . . 71.21 108.653 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.417 ' HB1' HD23 ' A' ' 650' ' ' LEU . . . -59.57 -42.16 91.82 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.468 -1.242 . . . . 54.22 110.622 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 58.5 mtt -66.02 -37.39 85.76 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.882 0.697 . . . . 73.14 112.882 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.55 -38.1 89.85 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.675 -0.861 . . . . 74.02 108.675 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 84.0 m -62.63 -51.14 68.46 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.543 -0.753 . . . . 52.11 110.136 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 666' ' ' MET . 96.6 mt -56.44 -55.58 31.83 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.898 -0.592 . . . . 52.04 111.475 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.45 -41.87 86.13 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.96 0.41 . . . . 75.42 111.076 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.82 -46.0 87.07 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 115.864 -0.607 . . . . 61.41 110.28 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 52.1 m -68.28 -32.68 73.02 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 121.277 -0.169 . . . . 54.03 111.173 -177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 86.8 mtp -72.16 -42.05 66.37 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 120.389 -0.524 . . . . 60.23 110.274 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.4 t -73.83 -55.88 5.65 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.917 -0.583 . . . . 62.54 109.944 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.8 m -70.35 -52.43 22.65 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 112.513 0.56 . . . . 73.23 112.513 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . 0.566 ' HG3' ' HD3' ' A' ' 672' ' ' LYS . 18.3 tt0 -95.99 -17.14 21.22 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 113.681 0.993 . . . . 70.31 113.681 -173.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.59 96.7 Favored Glycine 0 C--N 1.312 -0.793 0 C-N-CA 120.06 -1.067 . . . . 63.31 110.448 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -82.12 5.68 18.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.151 0.5 . . . . 71.43 111.128 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . 0.566 ' HD3' ' HG3' ' A' ' 669' ' ' GLU . 85.5 tttt -85.78 -51.69 6.26 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 109.236 -0.654 . . . . 64.51 109.236 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -92.83 -23.86 18.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.059 -0.519 . . . . 74.51 111.197 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.75 74.65 Favored Glycine 0 C--O 1.239 0.46 0 N-CA-C 109.567 -1.413 . . . . 60.13 109.567 -175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.482 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 25.5 ptt? -148.19 169.56 19.79 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 106.829 -1.545 . . . . 65.4 106.829 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 601' ' ' LEU . 6.8 tt -133.98 144.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.994 0 O-C-N 123.888 0.742 . . . . 74.24 110.573 -177.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -105.06 137.39 42.88 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.886 -0.597 . . . . 63.23 109.794 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 645' ' ' VAL . 1.8 mm? -127.56 135.4 50.26 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.244 -0.65 . . . . 63.53 109.244 178.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 92.2 mt -120.37 115.54 47.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 107.713 -1.217 . . . . 63.23 107.713 175.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 642' ' ' LEU . 34.5 m -123.89 156.53 30.92 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.725 0 CA-C-N 115.33 -0.85 . . . . 70.04 109.784 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.22 143.21 42.34 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.448 0.642 . . . . 53.11 110.427 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.623 ' HA ' ' NH2' ' A' ' 637' ' ' ARG . 4.3 ptp180 -133.72 146.22 50.6 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 109.299 -0.63 . . . . 75.55 109.299 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -87.76 144.33 26.68 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 106.914 -1.513 . . . . 73.23 106.914 172.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.94 91.27 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.544 0.687 . . . . 74.3 109.679 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 39.7 m -152.14 112.04 4.02 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.113 -1.069 . . . . 50.32 108.113 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -76.36 -28.03 56.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.421 -0.955 . . . . 74.42 108.421 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 49.8 t -103.74 98.34 8.22 Favored 'General case' 0 N--CA 1.425 -1.685 0 N-CA-C 107.774 -1.195 . . . . 70.02 107.774 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -97.89 -65.0 0.99 Allowed 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.914 -0.773 . . . . 70.21 108.914 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.244 0.776 0 C-N-CA 124.421 1.088 . . . . 73.02 112.704 177.108 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 CA--C 1.509 -0.622 0 N-CA-C 109.157 -0.683 . . . . 74.3 109.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 62.4 mt 61.79 87.86 0.09 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.423 1.077 . . . . 70.41 109.183 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -121.68 87.63 2.79 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.736 0.643 . . . . 65.13 112.736 -175.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -117.14 122.33 43.79 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 106.971 -1.492 . . . . 71.24 106.971 174.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 87.7 mt -94.64 126.57 40.02 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.843 -0.343 . . . . 52.31 110.555 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -78.61 -36.02 44.81 Favored 'General case' 0 CA--C 1.488 -1.435 0 N-CA-C 105.478 -2.045 . . . . 73.14 105.478 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -93.76 70.39 1.37 Allowed Glycine 1 N--CA 1.39 -4.408 0 CA-C-N 113.262 -1.79 . . . . 64.25 109.726 175.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 47.3 m -76.25 90.48 3.16 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.136 -0.69 . . . . 74.44 109.136 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.51 161.96 57.57 Favored Pre-proline 0 C--N 1.292 -1.904 0 N-CA-C 108.377 -0.971 . . . . 70.13 108.377 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . 0.434 ' HG2' ' OE2' ' B' ' 780' ' ' GLU . 18.7 Cg_endo -62.19 -14.5 38.4 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.557 2.172 . . . . 74.42 111.066 172.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 69.61 93.86 0.08 Allowed 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 125.454 1.502 . . . . 73.22 112.003 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . 0.434 ' OE2' ' HG2' ' B' ' 778' ' ' PRO . 3.1 mp0 -84.39 103.2 13.35 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.294 -0.866 . . . . 73.51 111.134 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.52 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 87.3 mt-10 -133.95 132.88 40.71 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.991 -1.004 . . . . 64.53 110.096 175.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.81 131.58 49.55 Favored 'General case' 0 N--CA 1.398 -3.033 0 CA-C-N 114.722 -1.127 . . . . 72.44 110.13 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.26 120.68 45.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 N-CA-C 107.947 -1.131 . . . . 73.25 107.947 171.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.507 HD12 HD12 ' A' ' 601' ' ' LEU . 11.1 pt . . . . . 0 N--CA 1.415 -2.219 0 CA-C-O 117.629 -1.177 . . . . 74.25 111.019 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.209 0 N-CA-C 110.403 -1.079 . . . . 73.53 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 31.6 p -90.44 91.7 8.57 Favored 'General case' 0 N--CA 1.426 -1.671 0 N-CA-C 107.522 -1.288 . . . . 44.25 107.522 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.79 160.37 18.77 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.622 -0.717 . . . . 61.3 111.541 -173.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.406 ' O ' HD12 ' A' ' 684' ' ' ILE . . . -85.81 44.02 3.31 Favored Glycine 0 N--CA 1.437 -1.241 0 CA-C-N 115.85 -0.614 . . . . 50.41 112.918 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 55.1 m -83.36 -21.09 33.21 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.579 -1.267 . . . . 65.21 107.579 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -138.21 144.34 40.59 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.941 -1.027 . . . . 71.33 109.109 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.2 151.66 42.01 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.921 -0.4 . . . . 72.34 109.921 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.12 123.06 47.69 Favored 'General case' 0 CA--C 1.493 -1.24 0 O-C-N 123.578 0.549 . . . . 73.21 112.286 -173.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.11 139.36 49.38 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.086 -0.709 . . . . 74.4 109.086 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 94.1 m -108.28 122.18 46.43 Favored 'General case' 0 C--N 1.278 -2.503 0 N-CA-C 109.468 -0.567 . . . . 45.31 109.468 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.83 135.05 54.38 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 109.027 -0.731 . . . . 72.34 109.027 175.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -115.24 116.4 28.27 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.655 -0.869 . . . . 75.24 108.655 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 73.1 t -116.3 119.85 35.83 Favored Pre-proline 0 C--N 1.276 -2.591 0 CA-C-N 114.065 -1.425 . . . . 71.41 111.113 -170.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 58.1 Cg_endo -71.36 148.13 54.25 Favored 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 121.198 1.265 . . . . 73.01 109.673 174.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.46 19.43 1.26 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.76 -0.588 . . . . 63.32 110.716 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 592' ' ' PRO . 8.3 t30 -60.99 -69.82 0.21 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.433 -1.258 . . . . 71.24 112.429 -176.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.43 -23.85 61.13 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.837 0.351 . . . . 74.31 111.052 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 599' ' ' ALA . 18.0 m -58.63 -65.51 0.65 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.352 -0.84 . . . . 71.12 109.695 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 65.13 -74.51 0.08 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 123.436 0.46 . . . . 65.22 113.484 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 27.2 m -92.13 -13.31 30.9 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-O 121.144 0.497 . . . . 64.33 110.286 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 596' ' ' SER . . . -116.16 175.68 5.44 Favored 'General case' 0 N--CA 1.394 -3.264 0 N-CA-C 107.012 -1.477 . . . . 75.03 107.012 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -97.32 -52.63 1.43 Allowed Glycine 0 C--N 1.26 -3.649 0 N-CA-C 109.607 -1.397 . . . . 40.32 109.607 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.629 HD23 ' HB ' ' B' ' 784' ' ' ILE . 2.5 mm? -110.4 -40.46 4.64 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.782 -1.192 . . . . 72.24 107.782 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.592 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 89.87 53.17 2.44 Favored Glycine 0 N--CA 1.398 -3.894 0 N-CA-C 107.125 -2.39 . . . . 71.54 107.125 -175.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 40.8 t -140.99 153.03 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 N-CA-C 106.97 -1.493 . . . . 45.14 106.97 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 622' ' ' LYS . 32.5 m -108.83 134.24 51.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 N-CA-C 106.879 -1.526 . . . . 72.04 106.879 172.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.567 HG12 ' HA ' ' A' ' 621' ' ' VAL . 6.1 m -124.61 165.86 20.94 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.885 0 CA-C-O 121.313 0.578 . . . . 74.35 111.74 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.632 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 65.2 pttt -149.54 153.12 36.67 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 114.661 -1.154 . . . . 51.22 109.075 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.25 130.12 10.09 Favored Glycine 0 C--N 1.273 -2.932 0 C-N-CA 119.153 -1.499 . . . . 55.22 110.842 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.582 ' ND2' HD12 ' A' ' 617' ' ' LEU . 54.5 t30 -103.29 129.45 50.29 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.625 -0.879 . . . . 64.33 108.625 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.443 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 14.2 ttm180 -128.67 129.79 46.32 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 108.775 -0.824 . . . . 73.22 108.775 -176.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 39.7 m -88.92 92.07 9.08 Favored 'General case' 0 N--CA 1.406 -2.629 0 N-CA-C 106.484 -1.673 . . . . 44.25 106.484 172.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 611' ' ' LYS . 0.5 OUTLIER -70.26 -41.38 73.56 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 123.308 0.643 . . . . 74.33 110.591 -172.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -69.51 -28.27 65.9 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.69 0.757 . . . . 70.11 109.83 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -79.58 -26.5 41.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.15 -0.932 . . . . 71.34 109.338 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 44.2 m80 72.46 31.42 1.78 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.008 1.323 . . . . 74.43 111.729 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -143.39 135.16 26.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.45 -0.795 . . . . 53.12 109.692 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 3.5 m-20 -80.65 152.49 28.44 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.005 -1.109 . . . . 71.3 108.005 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . 0.582 HD12 ' ND2' ' A' ' 608' ' ' ASN . 58.3 mt -100.04 -5.17 28.48 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.698 0.761 . . . . 75.45 109.373 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 103.1 -176.16 24.42 Favored Glycine 0 N--CA 1.438 -1.225 0 CA-C-N 115.008 -0.996 . . . . 72.03 111.916 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.426 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.1 mm -91.97 132.55 36.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.945 -1.131 . . . . 72.0 107.945 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.1 m-85 -122.76 149.94 43.45 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 120.746 0.308 . . . . 74.1 110.58 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.567 ' HA ' HG12 ' A' ' 605' ' ' VAL . 94.2 t -65.13 119.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 CA-C-O 122.322 1.058 . . . . 75.45 110.351 173.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 604' ' ' SER . 70.9 tttt -83.32 -60.17 2.23 Favored 'General case' 0 C--N 1.26 -3.318 0 CA-C-N 113.74 -1.573 . . . . 74.12 109.847 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 24.0 t -151.7 155.39 38.22 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.407 -0.96 . . . . 74.24 108.407 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -98.59 135.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 117.688 0.222 . . . . 70.13 110.549 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.592 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.1 mt -91.34 117.15 34.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.76 -0.83 . . . . 65.51 108.76 176.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -74.42 122.75 23.48 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.772 -0.649 . . . . 70.1 110.324 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 116.37 -16.94 14.56 Favored Glycine 0 C--N 1.297 -1.589 0 N-CA-C 110.116 -1.194 . . . . 50.34 110.116 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -71.72 145.82 39.17 Favored Glycine 0 N--CA 1.438 -1.231 0 N-CA-C 111.247 -0.741 . . . . 74.23 111.247 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.01 69.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 120.707 0.289 . . . . 64.11 111.452 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.401 ' HA ' ' CG2' ' A' ' 591' ' ' VAL . . . -65.0 -27.74 69.04 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-O 121.105 0.479 . . . . 72.23 110.764 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 33.2 t -77.71 -43.03 32.36 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 115.467 -0.788 . . . . 74.15 109.764 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.73 -52.86 10.43 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.401 -0.52 . . . . 64.25 111.824 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -80.34 -52.56 7.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.043 0.449 . . . . 72.25 111.85 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -79.08 -43.75 10.49 Favored Glycine 0 CA--C 1.496 -1.124 0 C-N-CA 120.156 -1.021 . . . . 71.02 114.002 -172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 67.56 89.29 0.1 Allowed 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.764 0.792 . . . . 72.31 109.816 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.9 177.13 5.05 Favored 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 115.276 -0.875 . . . . 74.25 110.736 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.421 HH21 ' NE ' ' A' ' 682' ' ' ARG . 0.0 OUTLIER -140.65 155.86 46.4 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.212 -0.449 . . . . 55.44 111.942 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 91.4 t -70.08 137.87 23.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 CA-C-N 115.55 -0.75 . . . . 74.41 110.18 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 75.31 16.58 2.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.022 1.329 . . . . 51.01 110.59 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 58.9 t0 -77.5 137.03 38.41 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 107.661 -1.237 . . . . 73.21 107.661 175.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.36 114.32 27.13 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 118.301 0.5 . . . . 63.32 110.92 -172.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.43 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.6 mp -74.51 120.67 20.38 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.299 1.04 . . . . 61.24 111.63 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 37.2 mm -100.95 -53.3 7.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.849 -0.614 . . . . 65.55 112.05 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -137.75 156.11 48.33 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.649 -0.705 . . . . 64.43 111.571 -174.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.412 HG23 HD11 ' A' ' 676' ' ' ILE . 7.4 p -136.4 123.82 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.262 -0.881 . . . . 53.44 110.728 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.583 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 87.8 m-20 51.72 29.29 5.6 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.754 1.39 . . . . 63.33 114.754 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 98.85 -13.28 62.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.641 -0.79 . . . . 71.45 112.722 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -93.06 125.13 37.5 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.371 -0.974 . . . . 73.11 108.371 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -98.43 129.71 45.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.342 -0.614 . . . . 72.52 109.342 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.8 pt? -125.72 10.66 7.78 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.291 0.849 . . . . 75.23 113.291 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 62.6 tp -77.76 84.12 4.09 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.342 -0.943 . . . . 64.42 110.197 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 169.17 36.46 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.013 -0.994 . . . . 54.24 110.739 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -159.12 167.02 30.23 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.847 -0.798 . . . . 74.34 108.847 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.437 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -64.46 157.01 27.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.667 0.604 . . . . 74.53 111.645 -177.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.443 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 14.0 m120 -50.81 -47.33 59.97 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.458 0.703 . . . . 64.31 112.416 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.65 -37.59 86.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.371 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.56 -38.76 81.04 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-O 121.782 0.801 . . . . 72.24 109.343 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.75 76.32 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.505 -1.225 . . . . 75.13 109.93 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.15 -37.5 83.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.153 0.427 . . . . 62.3 112.153 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.82 -37.9 83.59 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.361 0.601 . . . . 54.14 109.958 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 57.9 m -76.77 -48.25 19.22 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.547 -0.751 . . . . 71.41 109.485 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.676 ' O ' ' HG3' ' A' ' 666' ' ' MET . 64.8 tp -56.23 -56.09 25.3 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.666 1.187 . . . . 73.31 112.754 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -58.98 -35.96 74.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.395 0.617 . . . . 74.44 110.442 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -70.75 -48.01 56.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.579 -0.737 . . . . 54.31 110.941 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 73.0 m -67.63 -27.32 66.78 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 111.696 0.258 . . . . 71.44 111.696 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.676 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 89.3 mtp -64.67 -41.87 95.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.045 0.45 . . . . 75.3 110.193 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 25.4 t -88.03 -49.75 6.84 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.668 -0.696 . . . . 60.05 110.866 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 62.0 m -73.42 -46.44 48.57 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 121.085 0.469 . . . . 64.01 111.113 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 672' ' ' LYS . 42.5 mt-10 -93.15 -1.57 56.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.159 0.429 . . . . 71.1 112.159 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -82.93 -42.75 7.98 Favored Glycine 0 CA--C 1.497 -1.083 0 N-CA-C 110.044 -1.222 . . . . 70.22 110.044 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.52 -18.49 65.36 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.819 0.848 . . . . 73.42 112.342 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 63.5 pttt -72.9 -26.41 61.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.209 0.528 . . . . 73.11 110.936 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -110.72 -48.3 3.15 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 121.613 0.72 . . . . 73.43 110.576 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 110.24 -9.88 31.18 Favored Glycine 0 C--N 1.305 -1.155 0 N-CA-C 108.376 -1.89 . . . . 72.32 108.376 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.519 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.8 ptp -135.43 150.61 49.91 Favored 'General case' 0 N--CA 1.414 -2.272 0 CA-C-N 113.736 -1.232 . . . . 71.3 108.936 177.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.583 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 4.7 tt -110.97 132.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.653 0 CA-C-N 115.04 -0.982 . . . . 74.22 110.962 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -99.67 126.51 45.71 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 114.332 -1.304 . . . . 60.51 109.122 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 678' ' ' LEU . 1.0 OUTLIER -131.12 128.32 39.89 Favored 'General case' 0 C--N 1.278 -2.522 0 CA-C-O 121.08 0.466 . . . . 74.02 111.6 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.2 mp -103.37 124.11 57.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.051 -1.463 . . . . 70.32 107.051 175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 19.5 m -123.37 152.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 N-CA-C 109.06 -0.718 . . . . 72.45 109.06 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -119.83 125.79 49.41 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 116.026 -0.534 . . . . 74.44 111.441 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.421 ' NE ' HH21 ' A' ' 637' ' ' ARG . 1.2 ptp180 -108.29 148.92 29.33 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.504 -1.295 . . . . 61.13 107.504 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -84.57 136.98 33.56 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.228 -0.656 . . . . 74.24 109.228 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 582' ' ' GLY . 55.1 mt -78.76 93.33 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-O 121.61 0.719 . . . . 62.54 111.518 -176.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 75.3 m -178.21 -82.34 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 127.979 2.512 . . . . 64.23 106.902 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -161.78 156.85 23.34 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.277 -2.12 . . . . 74.41 105.277 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 13.7 t -102.51 96.83 7.17 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 107.513 -1.292 . . . . 74.21 107.513 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -80.99 125.98 30.83 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.198 -0.91 . . . . 51.33 111.298 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.817 -0.629 . . . . 74.1 110.789 178.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 121.847 0.832 . . . . 72.42 109.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 5.3 mp -107.37 105.67 15.73 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.782 -1.099 . . . . 72.21 108.649 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -158.42 101.41 1.7 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.893 -0.594 . . . . 73.14 109.893 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.41 118.19 19.63 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 116.014 -0.539 . . . . 71.1 110.679 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 5.6 tt -96.88 108.89 21.67 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 106.265 -1.754 . . . . 65.33 106.265 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -148.26 -62.47 0.25 Allowed 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.296 -0.411 . . . . 73.12 110.813 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -170.5 78.82 0.1 OUTLIER Glycine 0 N--CA 1.434 -1.472 0 C-N-CA 120.381 -0.914 . . . . 71.4 112.233 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . 0.507 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 48.9 m -151.31 175.14 12.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 107.013 -1.476 . . . . 62.22 107.013 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.82 109.93 26.22 Favored Pre-proline 0 C--N 1.292 -1.909 0 CA-C-O 120.902 0.382 . . . . 74.5 110.417 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' B' ' 776' ' ' SER . 84.4 Cg_endo -100.22 -11.82 0.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.012 1.808 . . . . 71.32 113.593 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -165.76 22.33 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.642 -0.873 . . . . 42.43 108.642 -174.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . 0.402 ' OE2' ' HB2' ' A' ' 655' ' ' ASN . 44.2 mt-10 -108.18 31.91 5.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.953 0.882 . . . . 71.32 112.009 -172.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.632 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 77.0 mt-10 -107.62 135.17 49.51 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.238 -1.347 . . . . 72.4 109.851 168.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 50.7 tp -137.47 134.46 35.8 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 116.012 -0.54 . . . . 54.25 111.082 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.9 123.63 48.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.854 -0.795 . . . . 55.55 108.854 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.629 ' HB ' HD23 ' A' ' 601' ' ' LEU . 16.4 pt . . . . . 0 N--CA 1.424 -1.729 0 CA-C-O 118.137 -0.935 . . . . 71.23 110.944 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.904 0 N-CA-C 110.212 -1.155 . . . . 54.14 110.212 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.8 m -87.47 129.96 34.87 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 117.521 0.661 . . . . 70.12 109.824 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -70.55 153.55 42.78 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.845 -0.428 . . . . 52.05 109.845 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -97.39 30.66 8.8 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.972 -0.632 . . . . 61.52 113.333 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 19.9 m -76.49 -47.41 22.92 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.419 -1.696 . . . . 72.3 106.419 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -143.0 135.99 27.99 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.593 -1.632 . . . . 75.03 106.593 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -110.33 145.89 36.68 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 120.21 -0.596 . . . . 74.41 110.221 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . 0.461 ' CE2' HG21 ' A' ' 643' ' ' ILE . 4.6 m-30 -95.3 136.18 35.98 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.455 -0.793 . . . . 74.33 111.43 -174.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.82 154.22 31.1 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.83 -1.174 . . . . 72.43 107.83 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 31.7 m -116.07 122.47 45.24 Favored 'General case' 0 C--N 1.287 -2.13 0 C-N-CA 120.117 -0.633 . . . . 73.44 110.33 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . 0.535 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 51.5 m-85 -123.84 119.33 29.36 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 109.576 -0.528 . . . . 71.42 109.576 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.48 ' HG2' ' HG3' ' A' ' 677' ' ' GLN . 44.9 mt-10 -106.77 130.82 54.42 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.994 -0.743 . . . . 74.52 108.994 176.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 630' ' ' ALA . 94.8 t -120.08 117.6 32.0 Favored Pre-proline 0 C--N 1.281 -2.403 0 CA-C-N 115.631 -0.713 . . . . 72.14 110.279 -172.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 73.0 Cg_endo -73.98 148.44 40.29 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.721 1.614 . . . . 63.44 111.409 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 65.77 2.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.854 0.835 . . . . 45.13 110.402 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 5.3 m-20 -102.19 -71.92 0.7 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.475 -1.239 . . . . 64.41 110.161 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.06 50.99 1.84 Allowed 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.74 0.781 . . . . 75.32 109.464 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 14.1 m -115.97 112.13 21.38 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-N 114.614 -1.175 . . . . 74.44 108.716 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -177.03 -50.44 0.06 OUTLIER Glycine 0 N--CA 1.419 -2.491 0 N-CA-C 110.092 -1.203 . . . . 41.41 110.092 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.9 m -86.67 -22.74 25.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.986 0.898 . . . . 55.41 108.765 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -156.15 162.43 40.22 Favored 'General case' 0 N--CA 1.402 -2.862 0 N-CA-C 104.9 -2.259 . . . . 71.51 104.9 176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -84.2 -58.02 2.27 Favored Glycine 0 C--N 1.28 -2.581 0 N-CA-C 110.781 -0.928 . . . . 74.54 110.781 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 676' ' ' ILE . 6.3 mp -102.28 -28.28 12.36 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 108.259 -1.015 . . . . 71.42 108.259 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 81.05 51.2 4.83 Favored Glycine 0 N--CA 1.404 -3.436 0 N-CA-C 109.329 -1.508 . . . . 55.23 109.329 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 621' ' ' VAL . 46.6 t -134.66 150.98 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 N-CA-C 107.278 -1.379 . . . . 71.51 107.278 177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 26.1 m -110.23 132.19 54.39 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 106.392 -1.707 . . . . 61.12 106.392 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 642' ' ' LEU . 4.1 m -124.25 159.06 30.39 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.417 0 CA-C-O 121.402 0.62 . . . . 71.0 111.724 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.493 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 64.3 pttt -149.13 153.01 37.1 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 115.114 -0.948 . . . . 71.43 109.925 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -110.89 134.67 12.33 Favored Glycine 0 C--N 1.265 -3.409 0 C-N-CA 119.981 -1.104 . . . . 13.23 110.756 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -103.5 127.16 50.95 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.847 -1.168 . . . . 71.23 107.847 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -124.12 128.91 49.97 Favored 'General case' 0 C--N 1.27 -2.876 0 N-CA-C 109.819 -0.437 . . . . 70.53 109.819 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 46.1 m -91.66 96.69 10.59 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.273 -1.01 . . . . 45.11 108.273 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -63.32 -37.45 87.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.142 0.496 . . . . 72.05 111.481 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . 0.467 ' HB3' ' CE2' ' B' ' 774' ' ' TYR . 0.0 OUTLIER -74.96 -35.09 62.11 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.753 0.649 . . . . 74.01 112.753 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.75 -13.95 57.11 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.612 0.72 . . . . 73.25 109.897 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 40.3 m80 65.2 25.06 12.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.05 0.94 . . . . 62.44 111.739 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -135.16 139.71 44.81 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.901 -0.591 . . . . 55.24 110.381 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -81.75 146.54 29.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.194 -1.039 . . . . 73.53 108.194 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.2 -6.36 44.92 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.783 -0.821 . . . . 62.42 108.783 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 101.29 -179.6 28.35 Favored Glycine 0 N--CA 1.426 -1.97 0 CA-C-N 114.565 -1.198 . . . . 42.24 112.687 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 43.6 mm -91.34 126.8 43.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.491 -0.929 . . . . 74.34 108.491 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 89.0 m-85 -118.77 150.12 40.33 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 122.836 0.454 . . . . 72.53 110.679 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' A' ' 603' ' ' VAL . 93.3 t -71.77 130.87 35.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.569 -0.741 . . . . 72.02 109.997 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -88.08 -64.55 1.13 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.875 -0.787 . . . . 74.41 108.875 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 22.5 p -149.38 157.56 43.42 Favored 'General case' 0 N--CA 1.409 -2.51 0 CA-C-N 114.209 -1.36 . . . . 73.3 109.606 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.445 HD13 HG22 ' A' ' 638' ' ' VAL . 1.0 OUTLIER -94.64 134.7 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 C-N-CA 123.409 0.684 . . . . 74.32 110.4 176.111 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.68 115.16 28.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 106.739 -1.578 . . . . 72.14 106.739 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -50.91 -32.09 19.6 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.133 1.161 . . . . 64.23 114.133 -173.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -93.93 42.79 2.48 Favored Glycine 0 C--N 1.299 -1.517 0 C-N-CA 121.268 -0.492 . . . . 74.12 111.902 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -126.79 152.75 18.63 Favored Glycine 0 N--CA 1.426 -2.009 0 N-CA-C 110.893 -0.883 . . . . 50.3 110.893 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 112.478 0.547 . . . . 74.43 112.478 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' A' ' 591' ' ' VAL . . . -72.92 -26.75 61.51 Favored 'General case' 0 CA--C 1.491 -1.29 0 CA-C-O 121.976 0.893 . . . . 72.41 109.443 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.3 m -76.28 -52.27 10.32 Favored 'General case' 0 C--N 1.275 -2.666 0 CA-C-N 113.721 -1.581 . . . . 73.42 109.685 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.51 -51.63 14.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.629 0.603 . . . . 65.22 112.629 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.81 -51.44 9.16 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.041 0.448 . . . . 74.31 111.832 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -78.85 -32.05 41.89 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.179 -0.918 . . . . 75.24 115.194 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.18 35.13 18.59 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.399 -1.334 . . . . 75.35 107.399 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . 0.535 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 3.0 tt -56.37 129.54 40.95 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.826 0.822 . . . . 75.23 111.142 -171.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.792 ' HD3' ' OD2' ' A' ' 640' ' ' ASP . 7.1 ptm180 -54.63 -26.2 31.43 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 118.419 2.748 . . . . 72.01 118.419 -167.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 637' ' ' ARG . 70.0 t 75.65 145.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 118.504 0.593 . . . . 71.51 112.159 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.59 26.28 15.98 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.691 1.596 . . . . 73.44 109.656 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.902 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 13.0 t70 -96.04 157.57 15.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 CA-C-N 114.648 -1.16 . . . . 63.04 108.416 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.94 117.83 35.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.835 -0.802 . . . . 61.43 108.835 -176.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.416 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.2 mp -72.39 109.91 6.43 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.518 0.727 . . . . 72.43 111.082 -176.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.588 HG23 HD21 ' A' ' 651' ' ' LEU . 47.5 mm -86.93 -64.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 115.372 -0.831 . . . . 74.23 111.659 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.574 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -123.4 142.53 50.88 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.613 0.598 . . . . 61.34 112.613 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 61.1 t -122.95 119.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.494 -0.775 . . . . 53.34 109.22 -177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 677' ' ' GLN . 86.6 m-20 53.07 24.57 3.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.809 0.814 . . . . 73.5 112.362 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 116.7 -33.91 4.88 Favored Glycine 0 N--CA 1.439 -1.131 0 CA-C-N 114.888 -1.051 . . . . 55.43 113.99 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 644' ' ' ALA . 11.9 pt-20 -90.55 131.59 36.19 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 115.003 1.483 . . . . 63.44 115.003 -173.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.1 m -81.25 137.82 35.81 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-N 114.438 -1.256 . . . . 63.12 110.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.495 HD13 ' HB1' ' A' ' 658' ' ' ALA . 83.5 mt -100.39 17.13 22.31 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.0 0.52 . . . . 71.31 111.364 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 643' ' ' ILE . 2.9 mm? -84.05 -1.57 55.07 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.677 0.621 . . . . 74.22 112.677 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -105.99 16.68 42.57 Favored Glycine 0 C--N 1.308 -0.988 0 C-N-CA 120.755 -0.736 . . . . 70.44 111.61 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 657' ' ' GLU . 6.1 ptpp? -150.76 159.1 44.75 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 122.815 0.446 . . . . 53.42 109.797 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -74.06 170.65 15.02 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 123.197 0.311 . . . . 74.14 111.025 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -52.35 -47.51 66.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.753 0.821 . . . . 62.31 112.156 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.6 tt0 -63.52 -46.76 84.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.358 -0.383 . . . . 62.25 110.861 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 653' ' ' LYS . 33.8 mm-40 -61.14 -39.45 90.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.586 0.707 . . . . 72.13 109.269 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 650' ' ' LEU . . . -59.78 -47.77 84.36 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 114.807 -1.088 . . . . 73.41 109.839 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 59.2 mtt -60.13 -43.74 95.43 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 112.086 0.402 . . . . 62.31 112.086 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 43.6 mm-40 -61.41 -41.81 97.74 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.043 0.449 . . . . 61.32 110.452 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 46.3 m -70.72 -43.01 69.82 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-N 115.82 -0.627 . . . . 75.21 109.31 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 43.0 tp -55.18 -54.0 48.89 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 124.198 0.999 . . . . 73.32 111.398 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -56.72 -36.0 69.2 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.884 0.373 . . . . 72.52 111.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.22 -50.26 14.94 Favored 'General case' 0 C--O 1.205 -1.287 0 CA-C-N 116.331 -0.395 . . . . 73.3 110.943 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -28.43 65.79 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 113.0 0.741 . . . . 71.2 113.0 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.53 ' SD ' HG22 ' B' ' 784' ' ' ILE . 23.9 ptm -72.46 -30.08 64.25 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 120.047 -0.661 . . . . 70.33 110.274 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.5 -50.49 5.59 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 116.131 -0.486 . . . . 54.24 110.885 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 23.0 m -72.95 -50.02 25.83 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 120.771 0.32 . . . . 74.41 111.202 -175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -28.06 29.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.36 -0.382 . . . . 72.32 111.345 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 666' ' ' MET . . . -57.46 -60.2 9.44 Favored Glycine 0 CA--C 1.51 -0.269 0 CA-C-N 116.139 -0.482 . . . . 64.03 113.526 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -72.89 -15.36 61.59 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.227 0.537 . . . . 73.43 111.515 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -75.02 -45.3 42.75 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.19 -0.67 . . . . 70.4 109.19 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -71.09 -30.91 67.15 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.309 -0.86 . . . . 74.02 110.885 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 97.55 -22.78 38.98 Favored Glycine 0 C--O 1.246 0.844 0 N-CA-C 109.863 -1.295 . . . . 65.22 109.863 -176.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.432 ' CB ' ' HA ' ' A' ' 592' ' ' PRO . 26.6 ptt? -148.05 160.93 42.35 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 107.336 -1.357 . . . . 65.33 107.336 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.544 HD13 HD11 ' A' ' 601' ' ' LEU . 7.7 tt -110.1 132.06 59.41 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.059 0 CA-C-O 121.523 0.678 . . . . 71.24 109.675 -179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . 0.48 ' HG3' ' HG2' ' A' ' 590' ' ' GLU . 63.5 tt0 -99.98 127.37 46.19 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 115.046 -0.979 . . . . 75.31 109.981 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.2 mm? -127.64 127.56 43.99 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 108.732 -0.84 . . . . 71.41 108.732 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 1.9 mp -103.23 126.89 57.52 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.777 0 N-CA-C 104.894 -2.262 . . . . 71.11 104.894 171.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.902 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 30.9 m -122.53 164.96 19.08 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.401 0 N-CA-C 109.089 -0.708 . . . . 72.34 109.089 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.48 130.93 28.92 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.097 0.475 . . . . 60.22 111.047 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -109.03 143.45 38.33 Favored 'General case' 0 N--CA 1.421 -1.896 0 C-N-CA 119.702 -0.799 . . . . 71.12 110.824 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -90.51 127.42 36.23 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.447 -0.797 . . . . 74.1 109.062 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 71.7 mt -75.26 -34.36 30.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 CA-C-O 122.085 0.945 . . . . 74.43 109.227 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 32.4 m -86.34 90.64 8.25 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 114.294 -1.321 . . . . 73.0 109.428 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.8 104.75 0.8 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.374 -1.713 . . . . 75.22 106.374 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.41 115.6 19.14 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.394 -0.965 . . . . 65.35 108.394 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.22 106.64 4.49 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.26 -1.015 . . . . 63.13 108.26 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.302 -1.471 0 CA-C-N 115.695 -0.684 . . . . 70.35 110.057 -176.349 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.242 0.694 0 CA-C-O 120.718 0.294 . . . . 74.13 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 3.2 tt -147.66 114.68 6.16 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.141 -1.8 . . . . 73.42 106.141 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -117.76 -19.46 9.28 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 113.059 0.763 . . . . 62.41 113.059 -175.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.52 111.8 24.25 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 120.962 0.41 . . . . 74.44 110.387 -176.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.56 144.72 45.89 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.62 0.6 . . . . 62.51 112.62 -175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 612' ' ' GLU . 50.0 t80 88.71 -31.08 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.288 0 C-N-CA 125.539 1.536 . . . . 72.43 112.459 163.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -154.38 177.34 31.8 Favored Glycine 1 N--CA 1.394 -4.129 0 C-N-CA 117.836 -2.126 . . . . 52.22 114.231 177.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . 0.441 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 51.1 m 56.9 81.77 0.13 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.666 1.187 . . . . 73.43 110.541 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.58 99.51 33.84 Favored Pre-proline 0 C--N 1.308 -1.21 0 CA-C-N 115.641 -0.709 . . . . 73.15 111.948 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' B' ' 776' ' ' SER . 65.4 Cg_endo -102.72 25.26 0.12 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.345 2.697 . . . . 61.34 108.86 172.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -71.44 -19.82 62.19 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.157 -1.383 . . . . 64.25 112.969 -172.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -98.83 119.23 37.24 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.622 0.725 . . . . 71.41 111.31 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 22.4 mt-10 -130.3 145.64 51.8 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 124.304 1.042 . . . . 71.12 110.933 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.9 tp -144.41 142.05 30.07 Favored 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 123.457 0.703 . . . . 74.05 109.399 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 3.2 mp -101.71 137.42 29.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.571 -0.9 . . . . 74.23 108.571 170.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.53 HG22 ' SD ' ' A' ' 666' ' ' MET . 11.4 pt . . . . . 0 N--CA 1.425 -1.704 0 CA-C-O 117.709 -1.138 . . . . 63.12 111.577 177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.788 0 N-CA-C 111.022 -0.831 . . . . 42.52 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.3 t 64.24 95.31 0.05 OUTLIER 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.77 0.828 . . . . 33.41 110.855 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -147.82 -49.51 0.17 Allowed 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.332 -0.849 . . . . 73.2 110.663 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -136.19 31.0 2.66 Favored Glycine 0 N--CA 1.429 -1.775 0 C-N-CA 118.557 -1.783 . . . . 71.22 116.146 -173.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 31.8 m -76.58 -31.69 57.66 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.399 -1.704 . . . . 73.54 106.399 173.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -130.03 159.16 37.57 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 104.144 -2.539 . . . . 72.14 104.144 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -124.01 143.26 50.52 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 118.954 -1.098 . . . . 73.12 111.25 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 643' ' ' ILE . 7.4 m-30 -90.96 143.42 26.74 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 115.589 -0.732 . . . . 74.21 110.325 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 83.1 mt -127.08 129.67 48.42 Favored 'General case' 0 C--N 1.275 -2.646 0 N-CA-C 107.203 -1.406 . . . . 61.32 107.203 176.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . 0.445 ' HB ' HG13 ' A' ' 679' ' ' ILE 0.253 10.3 t -116.17 124.73 51.03 Favored 'General case' 0 C--N 1.257 -3.422 0 C-N-CA 118.735 -1.186 . . . . 75.42 111.412 177.275 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -110.98 133.65 53.22 Favored 'General case' 0 N--CA 1.409 -2.492 0 CA-C-N 114.783 -1.099 . . . . 64.24 109.034 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.407 ' HB3' ' HE2' ' A' ' 675' ' ' MET . 46.4 mt-10 -109.07 128.1 54.69 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.319 -0.623 . . . . 43.1 109.319 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.487 ' HB ' HG23 ' A' ' 676' ' ' ILE . 40.5 t -121.68 121.52 28.23 Favored Pre-proline 0 C--N 1.291 -1.951 0 CA-C-N 115.266 -0.879 . . . . 74.44 108.658 -172.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.442 ' HB2' ' OD1' ' A' ' 594' ' ' ASN . 96.0 Cg_endo -79.49 135.81 12.01 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 C-N-CA 120.968 1.112 . . . . 52.23 111.123 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -79.28 75.23 5.85 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 121.94 0.876 . . . . 65.15 109.364 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' A' ' 592' ' ' PRO . 19.1 m120 -128.66 -60.7 1.09 Allowed 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.351 -1.295 . . . . 73.42 111.509 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -121.29 73.65 1.05 Allowed 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.003 0.906 . . . . 75.31 110.573 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 49.5 m -154.38 19.19 0.48 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.919 -1.491 . . . . 75.22 108.177 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.89 77.49 Favored Glycine 0 C--N 1.305 -1.165 0 CA-C-N 114.735 -1.12 . . . . 43.21 110.328 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 25.9 m -70.73 -16.81 62.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.875 -0.663 . . . . 54.43 110.246 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -139.42 -80.86 0.3 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.442 0.639 . . . . 72.13 111.32 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -177.31 -62.06 0.06 OUTLIER Glycine 0 C--N 1.286 -2.234 0 N-CA-C 106.474 -2.65 . . . . 61.54 106.474 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.486 HD21 HG21 ' A' ' 676' ' ' ILE . 19.8 mt -122.33 -39.42 2.57 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 106.273 -1.751 . . . . 71.12 106.273 167.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 101.57 46.8 1.61 Allowed Glycine 0 N--CA 1.403 -3.561 0 CA-C-N 113.739 -1.573 . . . . 65.54 110.692 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 16.9 t -137.58 152.51 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 N-CA-C 107.05 -1.463 . . . . 55.05 107.05 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 38.4 m -112.56 134.0 54.32 Favored 'General case' 0 N--CA 1.412 -2.346 0 N-CA-C 107.337 -1.357 . . . . 64.33 107.337 173.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.51 HG11 ' CD2' ' A' ' 642' ' ' LEU . 5.0 m -127.5 158.91 38.64 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 CA-C-O 121.202 0.525 . . . . 63.14 111.524 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.53 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 23.3 pttm -148.73 151.59 35.14 Favored 'General case' 0 C--N 1.278 -2.524 0 CA-C-N 115.368 -0.833 . . . . 64.23 109.721 176.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.55 145.36 15.91 Favored Glycine 0 N--CA 1.416 -2.684 0 C-N-CA 119.845 -1.169 . . . . 53.04 110.959 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.468 HD22 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -116.12 132.41 56.67 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.816 -1.55 . . . . 73.13 106.816 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.651 ' HG3' ' ND2' ' A' ' 655' ' ' ASN . 57.9 mtm180 -116.77 151.1 37.16 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 112.724 0.639 . . . . 73.15 112.724 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 38.9 m -77.54 174.78 10.5 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.864 -1.062 . . . . 75.11 109.993 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.586 ' O ' ' HD2' ' A' ' 614' ' ' HIS . 0.5 OUTLIER -57.65 119.19 6.17 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.87 -0.604 . . . . 70.4 111.874 -172.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 66.57 19.71 10.83 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 114.371 -1.286 . . . . 54.04 108.668 172.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 61.9 t30 59.21 43.56 16.89 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 114.124 -1.398 . . . . 71.45 110.202 -176.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . 0.586 ' HD2' ' O ' ' A' ' 611' ' ' LYS . 70.4 m-70 -69.74 -14.25 62.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.63 0.728 . . . . 73.23 109.348 171.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -169.94 166.55 9.35 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 107.022 -1.473 . . . . 73.1 107.022 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -120.66 152.53 38.09 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 106.966 -1.494 . . . . 71.14 106.966 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.17 -11.67 23.99 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 109.429 -0.582 . . . . 64.13 109.429 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 99.31 -175.08 27.93 Favored Glycine 0 C--N 1.309 -0.919 0 CA-C-N 115.042 -0.981 . . . . 75.43 112.836 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 44.3 mm -91.66 126.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 C-N-CA 122.964 0.505 . . . . 43.33 109.716 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.1 m-85 -120.26 151.32 39.34 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 116.124 -0.489 . . . . 64.41 110.045 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.426 ' HA ' HG12 ' A' ' 605' ' ' VAL . 57.7 t -71.22 136.25 26.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 116.236 -0.438 . . . . 73.33 109.878 174.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.88 -37.72 5.32 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.138 0.494 . . . . 74.33 110.908 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 32.9 t -150.51 144.16 25.17 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 109.419 -0.585 . . . . 71.24 109.419 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -102.36 129.17 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 N-CA-C 108.154 -1.054 . . . . 72.32 108.154 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 69.7 mt -93.51 113.08 27.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 CA-C-O 121.297 0.57 . . . . 62.4 109.648 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -80.5 86.78 5.76 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.651 0.739 . . . . 73.13 110.501 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 178.04 -32.04 0.07 OUTLIER Glycine 0 C--N 1.295 -1.744 0 N-CA-C 110.144 -1.183 . . . . 63.43 110.144 -178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -83.96 164.31 40.67 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.578 -0.82 . . . . 52.21 111.617 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.15 -29.12 65.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 54.22 111.058 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.11 -26.83 68.72 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.407 0.622 . . . . 75.13 110.7 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 44.3 t -77.84 -47.29 19.19 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-N 115.317 -0.856 . . . . 70.41 109.869 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -49.9 21.75 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.111 -0.495 . . . . 74.41 111.576 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.18 -43.02 29.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 111.953 0.353 . . . . 74.45 111.953 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -84.31 -43.53 6.97 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 119.823 -1.18 . . . . 73.33 114.354 -174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 635' ' ' ARG . 2.3 mmp_? 54.54 74.92 0.32 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.224 0.535 . . . . 64.33 111.791 -176.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.66 -177.33 4.53 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.153 -0.476 . . . . 71.03 109.86 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 640' ' ' ASP . 12.0 ptp180 -129.71 164.08 24.75 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 109.195 -0.669 . . . . 72.14 109.195 -178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.73 145.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 108.289 -1.004 . . . . 71.14 108.289 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.59 20.79 4.63 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.189 0.996 . . . . 72.41 110.23 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 637' ' ' ARG . 7.4 t70 -92.23 149.82 21.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.654 -0.869 . . . . 61.04 108.654 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -93.84 125.49 38.49 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 112.733 0.642 . . . . 73.31 112.733 -172.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.51 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.8 mp -85.62 110.9 19.59 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.582 0.706 . . . . 63.51 110.26 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.497 HD12 HD22 ' A' ' 651' ' ' LEU . 43.8 mm -85.8 -57.03 4.66 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.152 -0.931 . . . . 65.15 110.518 -176.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -144.31 155.91 44.03 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.76 -0.655 . . . . 71.41 111.409 -174.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.493 HG23 HD13 ' A' ' 678' ' ' LEU . 12.7 p -133.5 129.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.122 -0.696 . . . . 74.32 109.122 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 47.73 36.41 5.67 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.501 0.667 . . . . 71.12 112.484 -175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 80.5 -1.05 83.75 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 115.211 -0.904 . . . . 53.25 115.094 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.51 ' OE1' HG21 ' A' ' 661' ' ' THR . 0.3 OUTLIER -94.71 129.82 41.47 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 107.329 -1.36 . . . . 50.04 107.329 179.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 22.5 m -82.02 106.28 13.8 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.534 0.683 . . . . 62.21 112.643 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.89 -28.62 44.09 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.774 -0.648 . . . . 63.53 109.767 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 643' ' ' ILE . 53.4 tp -65.77 -13.57 59.65 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.749 -0.659 . . . . 52.35 111.851 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -91.51 -4.78 67.67 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.639 -0.791 . . . . 73.23 112.322 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -130.27 163.16 27.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.32 -0.252 . . . . 74.21 110.32 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -69.29 161.68 28.78 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.002 0.189 . . . . 73.41 110.981 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.651 ' ND2' ' HG3' ' A' ' 609' ' ' ARG . 57.5 m-20 -51.03 -48.29 61.52 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.343 0.657 . . . . 60.41 112.557 -175.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -68.53 -36.67 79.15 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 115.652 -0.704 . . . . 71.21 112.298 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.83 -38.54 76.56 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.55 96.82 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.132 -1.395 . . . . 60.54 110.996 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 mtt -62.22 -41.95 98.86 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 112.488 0.551 . . . . 71.3 112.488 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.58 -41.37 98.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.296 0.569 . . . . 70.04 109.611 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . 0.51 HG21 ' OE1' ' A' ' 648' ' ' GLU . 86.4 m -71.09 -39.24 72.23 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.279 -0.873 . . . . 71.35 110.469 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.603 ' O ' ' HG3' ' A' ' 666' ' ' MET . 36.2 tp -59.54 -56.07 26.54 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.725 0.81 . . . . 61.01 111.687 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -62.88 -36.36 83.08 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.208 0.528 . . . . 72.22 110.563 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.03 -50.08 74.79 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.02 -0.991 . . . . 72.12 110.449 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 40.2 m -64.07 -34.37 77.88 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-N 116.439 -0.346 . . . . 60.21 110.669 -177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 83.5 mtp -66.55 -41.23 88.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.129 0.49 . . . . 54.54 109.8 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.9 t -78.82 -55.71 4.95 Favored 'General case' 0 N--CA 1.433 -1.301 0 CA-C-N 115.525 -0.761 . . . . 55.24 110.896 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 58.4 m -69.94 -54.32 13.86 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.145 -0.479 . . . . 54.31 112.081 -175.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.985 0.735 . . . . 74.25 112.985 -176.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -58.56 -52.11 54.87 Favored Glycine 0 C--N 1.315 -0.625 0 C-N-CA 121.222 -0.513 . . . . 74.14 112.655 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.11 -12.99 60.43 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.504 0.669 . . . . 64.52 110.672 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -84.01 -40.74 18.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.29 0.567 . . . . 73.12 110.702 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -90.41 -22.59 21.37 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.043 -0.526 . . . . 75.14 110.427 -176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.12 -29.73 10.75 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.802 -0.919 . . . . 62.34 110.802 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.7 ptm -135.44 150.72 49.92 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.962 -0.755 . . . . 73.43 108.962 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 591' ' ' VAL . 7.9 tt -111.09 141.0 27.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 CA-C-N 115.451 -0.795 . . . . 74.22 110.329 -177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -106.92 135.46 48.44 Favored 'General case' 0 C--N 1.286 -2.187 0 CA-C-N 115.727 -0.67 . . . . 73.32 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 645' ' ' VAL . 1.7 mm? -127.78 123.7 35.88 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.878 -1.156 . . . . 55.41 107.878 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.445 HG13 ' HB ' ' A' ' 588' ' ' THR . 2.6 mp -108.57 119.74 58.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 N-CA-C 107.291 -1.374 . . . . 73.31 107.291 177.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.464 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.8 m -122.59 173.25 8.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.174 -0.676 . . . . 73.4 109.174 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -137.66 126.05 23.35 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 120.892 0.377 . . . . 73.04 111.586 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -109.54 145.83 35.66 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 107.761 -1.2 . . . . 64.43 107.761 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 685' ' ' SER . 15.1 ptp180 -89.93 144.05 26.26 Favored 'General case' 0 C--N 1.274 -2.71 0 N-CA-C 108.167 -1.049 . . . . 71.41 108.167 174.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 63.3 mt -57.08 -35.23 47.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.603 -0.726 . . . . 73.14 110.964 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.547 ' O ' ' HG3' ' A' ' 683' ' ' ARG . 30.8 p -76.47 123.34 25.87 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.417 -0.81 . . . . 61.34 109.577 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.02 110.32 1.01 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.342 0.497 . . . . 71.52 112.342 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 50.6 t -135.56 108.51 7.62 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.923 -1.139 . . . . 74.43 107.923 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -131.12 148.34 52.71 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 109.595 -0.521 . . . . 72.22 109.595 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.316 0 N-CA-C 107.947 -1.131 . . . . 65.24 107.947 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.224 -0.278 0 N-CA-C 109.158 -0.682 . . . . 73.43 109.158 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.89 152.22 40.86 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.964 -1.017 . . . . 73.13 109.324 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -142.6 -54.4 0.42 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.901 -0.32 . . . . 72.24 110.773 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 65.6 -166.36 0.22 Allowed 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.898 0.749 . . . . 61.45 110.546 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 6.8 mp 70.37 102.19 0.06 Allowed 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 124.343 1.057 . . . . 62.33 112.194 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -98.47 -46.13 5.87 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 105.742 -1.947 . . . . 73.32 105.742 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -116.12 26.62 8.64 Favored Glycine 0 N--CA 1.408 -3.222 0 CA-C-N 114.215 -1.357 . . . . 63.32 110.718 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 59.9 m 66.57 26.55 9.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 122.256 1.027 . . . . 71.34 109.424 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.3 161.97 27.71 Favored Pre-proline 0 C--N 1.31 -1.119 0 CA-C-N 113.835 -1.53 . . . . 72.24 110.464 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -110.59 31.07 0.04 OUTLIER 'Trans proline' 0 CA--C 1.552 1.409 0 C-N-CA 123.662 2.908 . . . . 62.55 111.702 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 60.72 83.08 0.15 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.296 -0.631 . . . . 70.32 109.296 -169.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -76.73 97.3 4.44 Favored 'General case' 0 C--O 1.199 -1.6 0 CA-C-N 116.428 -0.351 . . . . 75.12 110.299 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.53 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 50.7 mt-10 -117.74 138.41 52.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 112.892 0.701 . . . . 74.33 112.892 -176.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 60.7 tp -140.43 134.95 31.51 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 115.349 -0.841 . . . . 73.44 110.376 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -104.14 125.81 58.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.54 -0.911 . . . . 73.52 108.54 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.526 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 19.9 pt . . . . . 0 N--CA 1.411 -2.389 0 CA-C-O 117.934 -1.032 . . . . 72.41 109.276 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.032 0 N-CA-C 110.536 -1.026 . . . . 72.51 110.536 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 37.0 t -93.59 91.98 7.33 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 107.417 -1.327 . . . . 71.4 107.417 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -123.52 -40.88 2.31 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.776 -0.647 . . . . 65.11 110.874 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -87.03 5.57 84.92 Favored Glycine 0 C--O 1.248 0.983 0 CA-C-N 116.063 -0.517 . . . . 64.1 112.725 -177.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -65.1 142.89 58.22 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 106.926 -1.509 . . . . 73.43 106.926 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -145.18 149.45 34.99 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 118.825 -1.15 . . . . 72.4 113.93 -169.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 17.0 pt-20 -113.23 163.11 15.2 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.784 -1.191 . . . . 72.31 107.784 175.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -111.72 132.66 54.48 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.77 0.655 . . . . 75.35 112.77 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.64 140.25 51.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.217 -0.447 . . . . 72.41 109.89 177.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 43.0 m -116.15 122.41 44.99 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.897 -0.592 . . . . 73.1 109.936 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -125.88 141.44 51.98 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.534 -0.303 . . . . 73.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.33 127.11 54.39 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.655 0.74 . . . . 74.05 110.437 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.405 ' HB ' HG23 ' A' ' 676' ' ' ILE . 91.9 t -117.85 117.39 35.65 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 114.469 -1.242 . . . . 71.12 108.927 -174.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 78.8 Cg_endo -77.39 145.38 23.78 Favored 'Trans proline' 0 N--CA 1.44 -1.657 0 C-N-CA 121.128 1.219 . . . . 71.41 110.139 176.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.15 78.87 5.6 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.906 -1.146 . . . . 71.14 107.906 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -129.22 120.87 26.49 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.331 -1.304 . . . . 75.4 111.109 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 28.0 t70 76.84 -37.1 0.27 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.963 1.705 . . . . 74.43 111.628 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 599' ' ' ALA . 22.6 p -78.55 100.14 6.8 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-O 122.226 1.012 . . . . 61.13 110.207 174.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -117.24 -32.91 1.42 Allowed Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 113.872 -1.513 . . . . 72.44 110.661 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 43.7 p -77.07 -21.19 54.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.259 1.028 . . . . 72.34 109.643 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 596' ' ' SER . . . -137.23 137.12 38.74 Favored 'General case' 0 N--CA 1.393 -3.283 0 N-CA-C 104.763 -2.31 . . . . 63.12 104.763 174.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -68.15 -57.32 8.66 Favored Glycine 0 C--N 1.283 -2.373 0 N-CA-C 110.359 -1.096 . . . . 51.55 110.359 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.594 HD11 HD13 ' A' ' 676' ' ' ILE . 7.0 mp -109.95 -27.65 9.13 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 109.019 -0.734 . . . . 72.51 109.019 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.5 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 78.09 52.65 5.2 Favored Glycine 0 N--CA 1.399 -3.788 0 N-CA-C 109.802 -1.319 . . . . 63.15 109.802 -178.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 24.5 t -135.3 152.25 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.32 0 N-CA-C 106.209 -1.774 . . . . 62.3 106.209 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 30.6 m -114.13 133.12 55.78 Favored 'General case' 0 N--CA 1.399 -2.996 0 N-CA-C 106.944 -1.502 . . . . 75.03 106.944 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 621' ' ' VAL . 1.8 m -124.33 161.68 27.03 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.753 0 CA-C-N 116.099 -0.5 . . . . 75.41 111.663 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.37 154.37 37.65 Favored 'General case' 0 C--N 1.284 -2.244 0 CA-C-N 115.33 -0.85 . . . . 62.23 109.239 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -105.17 126.27 8.6 Favored Glycine 0 C--N 1.288 -2.118 0 C-N-CA 118.874 -1.632 . . . . 64.43 112.605 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -95.48 130.52 42.28 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 106.649 -1.612 . . . . 53.34 106.649 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' B' ' 780' ' ' GLU . 38.6 ttp180 -134.44 134.23 41.37 Favored 'General case' 0 C--N 1.288 -2.079 0 CA-C-N 116.586 -0.279 . . . . 75.24 111.459 -175.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 40.5 m -81.52 95.19 7.04 Favored 'General case' 0 N--CA 1.426 -1.625 0 N-CA-C 107.24 -1.393 . . . . 75.54 107.24 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.419 ' HE2' ' HA3' ' B' ' 775' ' ' GLY . 10.0 mtmp? -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.781 0.66 . . . . 75.22 112.781 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.45 -42.73 92.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.302 0.572 . . . . 64.02 110.39 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -74.49 -22.18 59.2 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.626 -0.715 . . . . 72.12 110.416 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.7 m80 69.09 25.94 5.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.655 1.182 . . . . 70.03 111.709 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -130.83 153.38 49.15 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.879 -0.786 . . . . 55.13 108.879 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 8.3 p-10 -90.73 157.7 17.28 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 121.118 0.485 . . . . 75.53 110.334 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 84.8 mt -98.48 -7.28 28.75 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.081 -1.081 . . . . 74.44 108.081 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 109.01 -171.96 15.9 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 114.47 -1.241 . . . . 75.31 111.835 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 48.1 mm -97.42 131.04 45.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 N-CA-C 108.249 -1.019 . . . . 71.2 108.249 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -122.42 146.04 47.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 110.083 -0.34 . . . . 62.01 110.083 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.4 t -65.45 128.19 27.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.77 -0.456 . . . . 72.52 109.77 172.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -98.95 -44.06 6.47 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 116.302 -0.408 . . . . 74.44 110.637 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 29.5 t -150.13 146.37 26.86 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 109.251 -0.648 . . . . 72.41 109.251 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.33 138.86 21.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 108.681 -0.859 . . . . 64.45 108.681 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -98.29 117.04 42.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.981 -0.748 . . . . 72.25 108.981 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -66.62 131.31 45.72 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.971 -0.559 . . . . 70.54 110.063 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.86 -23.98 22.6 Favored Glycine 0 N--CA 1.433 -1.558 0 N-CA-C 110.923 -0.871 . . . . 62.23 110.923 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -69.27 144.09 40.36 Favored Glycine 0 N--CA 1.434 -1.489 0 C-N-CA 120.877 -0.677 . . . . 73.23 111.903 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.4 76.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.367 0.267 . . . . 73.11 111.657 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 601' ' ' LEU . . . -65.8 -26.43 67.69 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.119 0.485 . . . . 75.14 111.034 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 36.3 t -76.16 -48.38 20.77 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 108.652 -0.869 . . . . 73.52 108.652 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -67.91 -52.13 39.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.76 -0.654 . . . . 40.22 111.338 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.43 -51.61 9.15 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.571 0.952 . . . . 74.43 113.571 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -81.14 -42.25 9.61 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.795 -0.717 . . . . 65.45 114.876 -171.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? 65.35 33.96 8.6 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.104 0.452 . . . . 73.32 111.611 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.82 160.07 18.18 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.886 0.374 . . . . 63.24 110.625 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.531 ' HE ' ' CG ' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -114.0 179.52 3.93 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.664 -0.815 . . . . 71.14 112.273 -176.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 98.2 t -81.13 141.66 14.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 N-CA-C 108.435 -0.95 . . . . 74.0 108.435 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 67.9 31.76 5.52 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-O 122.985 1.374 . . . . 74.43 107.727 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.531 ' CG ' ' HE ' ' A' ' 637' ' ' ARG . 22.5 t0 -92.07 125.62 36.83 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.106 -1.812 . . . . 75.25 106.106 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.61 116.58 29.09 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.248 0.547 . . . . 63.02 111.182 -170.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.424 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.5 mp -74.1 109.8 7.88 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 123.933 0.893 . . . . 73.1 111.178 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.57 -56.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 124.013 0.925 . . . . 75.43 111.042 -175.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -138.89 146.03 40.64 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 114.837 -1.074 . . . . 64.22 108.757 -176.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.419 HG11 HD23 ' A' ' 662' ' ' LEU . 8.5 p -130.67 136.02 59.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 109.811 -0.44 . . . . 72.42 109.811 -176.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.476 ' HB3' ' HG3' ' A' ' 669' ' ' GLU . 17.8 m120 62.3 16.19 8.26 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.181 0.992 . . . . 75.55 111.626 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 95.24 -5.24 67.93 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.462 -0.79 . . . . 74.33 111.51 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -100.92 127.38 47.42 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.043 0.449 . . . . 71.51 110.125 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 13.2 p -81.51 134.74 35.56 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.738 -0.664 . . . . 54.5 110.613 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.436 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.9 pt? -135.54 5.3 3.17 Favored 'General case' 0 CA--C 1.498 -1.039 0 C-N-CA 120.777 -0.369 . . . . 70.14 111.283 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 46.4 tp -73.19 95.26 2.07 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-O 121.091 0.472 . . . . 55.01 110.178 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 149.28 38.87 0.04 OUTLIER Glycine 0 C--N 1.304 -1.225 0 CA-C-N 115.242 -0.89 . . . . 74.3 111.885 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.25 177.07 9.72 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 108.899 -0.778 . . . . 63.23 108.899 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.533 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -68.97 158.94 33.69 Favored 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 120.94 -0.304 . . . . 51.2 110.669 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.5 m120 -64.31 -40.82 96.7 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 116.291 -0.413 . . . . 75.41 111.19 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -66.37 -41.04 90.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.353 . . . . 72.42 110.051 178.445 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 21.4 mm-40 -60.21 -46.0 91.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.378 -0.828 . . . . 72.12 109.12 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.579 ' O ' ' HG ' ' A' ' 662' ' ' LEU . . . -59.47 -40.89 88.39 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 114.803 -1.09 . . . . 74.21 110.741 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 63.2 mtt -59.98 -44.44 94.47 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 116.465 -0.334 . . . . 74.51 111.606 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.54 -37.99 86.17 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 120.542 -0.463 . . . . 65.21 110.574 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 49.8 m -63.13 -40.06 96.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 109.602 -0.518 . . . . 61.01 109.602 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.703 ' O ' ' HG3' ' A' ' 666' ' ' MET . 93.7 mt -62.69 -57.47 10.9 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 110.006 -0.368 . . . . 64.13 110.006 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 659' ' ' MET . 64.2 mtp180 -59.14 -41.46 88.33 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.571 0.544 . . . . 73.41 110.874 -175.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -40.53 92.97 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.733 -0.667 . . . . 75.33 112.627 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 48.8 m -70.42 -30.89 67.87 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.715 -0.794 . . . . 75.43 110.065 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.703 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 84.7 mtp -67.22 -41.56 85.53 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.661 . . . . 74.22 109.214 178.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 35.2 t -77.64 -52.33 9.17 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.933 -1.03 . . . . 44.52 110.951 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 51.7 m -69.88 -59.31 3.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.083 0.468 . . . . 74.3 111.43 -176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' A' ' 646' ' ' ASN . 1.1 tm-20 -79.15 -41.57 28.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.15 -0.477 . . . . 73.25 109.954 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.5 -21.88 55.32 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 116.22 -0.445 . . . . 63.32 113.454 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -82.27 -27.47 32.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.931 0.396 . . . . 74.12 109.968 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -72.15 -63.49 1.13 Allowed 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.061 -0.518 . . . . 73.21 111.186 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.59 -20.74 27.45 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.616 -0.434 . . . . 74.1 112.057 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.36 0.84 82.04 Favored Glycine 0 C--N 1.311 -0.837 0 C-N-CA 119.911 -1.138 . . . . 73.02 111.471 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 26.2 ptt? -141.57 155.71 45.75 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 109.989 -0.374 . . . . 74.21 109.989 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 601' ' ' LEU . 9.6 tt -117.63 140.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.263 0 CA-C-N 115.101 -0.954 . . . . 62.23 109.688 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -108.07 132.3 53.71 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.72 -0.474 . . . . 65.03 109.72 -178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.5 mm? -121.17 123.74 43.01 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 109.279 -0.638 . . . . 72.13 109.279 -178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 91.6 mt -108.14 115.18 48.47 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.418 -1.697 . . . . 74.22 106.418 174.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 642' ' ' LEU . 29.8 m -123.85 152.54 29.31 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.102 0 CA-C-N 115.21 -0.905 . . . . 61.2 111.291 -174.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.85 132.83 54.45 Favored 'General case' 0 N--CA 1.401 -2.89 0 N-CA-C 107.653 -1.24 . . . . 53.23 107.653 176.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.515 ' HG3' ' HD2' ' A' ' 637' ' ' ARG . 51.6 ttt180 -107.98 127.18 53.53 Favored 'General case' 0 C--N 1.256 -3.496 0 N-CA-C 107.862 -1.162 . . . . 74.54 107.862 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 128.13 33.84 Favored 'General case' 0 N--CA 1.411 -2.422 0 C-N-CA 117.702 -1.599 . . . . 75.35 109.364 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 18.5 pt -109.49 105.51 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.388 -3.571 0 CA-C-O 122.393 1.092 . . . . 74.53 110.175 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 32.4 m -93.75 142.12 27.72 Favored 'General case' 0 C--N 1.265 -3.105 0 CA-C-N 114.535 -1.212 . . . . 72.05 108.334 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -83.46 75.11 10.03 Favored 'General case' 0 C--N 1.309 -1.167 0 C-N-CA 119.454 -0.898 . . . . 73.35 109.045 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.89 153.48 0.52 Allowed 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.167 -1.42 . . . . 72.34 107.167 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -82.15 129.84 34.93 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 107.218 -1.401 . . . . 75.33 107.218 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.688 -0.116 . . . . 74.12 110.688 -179.154 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 CA--C 1.514 -0.416 0 CA-C-O 121.541 0.686 . . . . 61.41 109.712 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 95.0 mt -123.21 95.75 4.73 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.22 -0.9 . . . . 63.05 109.077 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -115.45 84.74 2.15 Favored 'General case' 0 N--CA 1.427 -1.587 0 CA-C-O 121.426 0.632 . . . . 63.42 109.97 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.84 123.3 19.59 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.618 -0.719 . . . . 73.34 111.735 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . 0.48 HD23 ' H ' ' B' ' 777' ' ' ASP . 5.0 mp -125.77 -169.85 2.08 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.462 -1.681 . . . . 74.44 106.462 176.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . 0.433 ' HB3' ' OD1' ' B' ' 777' ' ' ASP . 67.7 t80 -92.18 -44.4 8.81 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 105.745 -1.946 . . . . 71.31 105.745 177.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . 0.419 ' HA3' ' HE2' ' A' ' 611' ' ' LYS . . . -157.95 -52.9 0.01 OUTLIER Glycine 0 N--CA 1.427 -1.953 0 CA-C-N 114.737 -1.119 . . . . 62.3 110.4 170.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 50.5 m -162.65 85.23 0.55 Allowed 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 105.217 -2.142 . . . . 73.25 105.217 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . 0.48 ' H ' HD23 ' B' ' 773' ' ' LEU . 6.8 m-20 -143.02 161.23 49.53 Favored Pre-proline 0 C--N 1.307 -1.269 0 N-CA-C 108.742 -0.836 . . . . 73.23 108.742 -169.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -77.9 8.21 3.57 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.421 2.081 . . . . 63.14 111.947 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 66.78 86.3 0.13 Allowed 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 124.522 1.129 . . . . 71.12 109.555 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' A' ' 609' ' ' ARG . 35.3 mt-10 -90.59 94.42 9.69 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.049 0.928 . . . . 65.32 112.824 -174.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -133.17 149.28 52.06 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 126.086 1.754 . . . . 71.33 107.637 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.41 HD21 ' HD2' ' A' ' 663' ' ' ARG . 1.0 OUTLIER -145.23 133.12 21.23 Favored 'General case' 0 N--CA 1.41 -2.447 0 N-CA-C 107.81 -1.181 . . . . 74.13 107.81 -178.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.24 128.71 56.02 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 108.9 -0.778 . . . . 75.35 108.9 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.644 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 18.3 pt . . . . . 0 N--CA 1.411 -2.397 0 CA-C-O 117.864 -1.065 . . . . 72.24 111.286 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.991 0 N-CA-C 110.713 -0.955 . . . . 65.21 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 50.6 m 65.07 19.45 11.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.692 0.797 . . . . 64.25 111.761 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.86 -32.52 73.85 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.132 -1.062 . . . . 71.41 108.132 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.411 ' O ' ' HD2' ' A' ' 584' ' ' ARG . . . -164.72 80.79 0.12 Allowed Glycine 0 N--CA 1.424 -2.161 0 N-CA-C 108.49 -1.844 . . . . 61.5 108.49 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 56.4 m -53.74 121.87 8.75 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.288 0.635 . . . . 73.52 111.681 -174.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' ' 582' ' ' GLY . 0.1 OUTLIER -144.73 151.78 39.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.299 -0.409 . . . . 72.31 110.513 -177.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -117.15 153.45 32.78 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.262 -1.014 . . . . 73.24 108.262 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 643' ' ' ILE . 10.9 m-30 -92.71 131.33 37.88 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.024 0.44 . . . . 61.22 111.549 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 94.4 mt -114.12 132.08 56.18 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.131 . . . . 73.31 107.948 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 68.9 m -113.13 121.43 44.53 Favored 'General case' 0 C--N 1.265 -3.089 0 CA-C-N 115.799 -0.637 . . . . 70.0 109.711 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -118.96 132.67 56.09 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.771 -0.825 . . . . 72.44 108.771 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -112.8 132.32 55.31 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.205 -0.598 . . . . 61.42 109.798 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.14 117.52 26.92 Favored Pre-proline 0 C--N 1.285 -2.239 0 N-CA-C 108.474 -0.936 . . . . 75.32 108.474 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 91.6 Cg_endo -80.78 147.21 17.03 Favored 'Trans proline' 0 N--CA 1.43 -2.228 0 C-N-CA 121.002 1.134 . . . . 74.33 111.456 179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.14 65.93 5.46 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-O 122.701 1.238 . . . . 65.33 107.882 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -111.03 -72.79 0.7 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 112.991 -1.913 . . . . 72.32 109.434 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -95.84 77.28 3.21 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 107.668 -1.234 . . . . 73.45 107.668 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 47.7 p -153.44 110.23 3.41 Favored 'General case' 0 N--CA 1.416 -2.154 0 CA-C-N 113.349 -1.75 . . . . 62.45 108.657 -175.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -144.78 -35.22 0.07 OUTLIER Glycine 0 N--CA 1.417 -2.594 0 N-CA-C 110.648 -0.981 . . . . 70.04 110.648 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 39.8 p -86.66 -18.14 32.04 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.48 0.657 . . . . 71.4 109.991 175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -150.99 177.83 9.77 Favored 'General case' 0 N--CA 1.406 -2.632 0 N-CA-C 106.887 -1.523 . . . . 60.44 106.887 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -90.7 -50.63 2.86 Favored Glycine 0 C--N 1.283 -2.4 0 N-CA-C 109.701 -1.359 . . . . 52.43 109.701 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.75 -39.26 4.05 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.591 -0.892 . . . . 75.43 108.591 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 93.57 48.73 2.69 Favored Glycine 1 N--CA 1.393 -4.21 0 N-CA-C 109.518 -1.433 . . . . 61.52 109.518 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.6 152.46 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.396 0 N-CA-C 107.6 -1.259 . . . . 74.2 107.6 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 25.0 m -116.24 131.29 56.98 Favored 'General case' 0 N--CA 1.406 -2.675 0 N-CA-C 107.492 -1.299 . . . . 74.21 107.492 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.537 HG11 HD21 ' A' ' 642' ' ' LEU . 2.9 m -124.89 153.33 31.87 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.313 0 CA-C-O 121.413 0.625 . . . . 72.2 111.218 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -150.54 155.42 39.42 Favored 'General case' 0 C--N 1.268 -2.948 0 CA-C-N 115.218 -0.901 . . . . 50.11 108.597 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -102.54 128.25 9.48 Favored Glycine 0 C--N 1.281 -2.499 0 C-N-CA 118.694 -1.717 . . . . 74.12 110.905 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -94.07 123.15 37.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 106.364 -1.717 . . . . 73.15 106.364 -179.087 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.475 ' N ' HD22 ' A' ' 608' ' ' ASN . 35.0 ttm180 -116.05 142.3 46.98 Favored 'General case' 0 C--N 1.275 -2.672 0 N-CA-C 108.408 -0.96 . . . . 74.31 108.408 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 44.8 m -67.56 118.35 10.75 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.934 -1.135 . . . . 73.43 107.934 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -48.38 -69.64 0.11 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 114.39 1.256 . . . . 74.41 114.39 -172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -91.22 -21.69 20.99 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 120.016 -0.674 . . . . 70.34 111.56 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.91 -23.18 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 71.2 109.384 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.0 m80 63.81 14.4 8.26 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.676 1.362 . . . . 62.45 114.676 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -97.87 146.35 25.52 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.04 -1.096 . . . . 73.11 108.04 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -82.57 148.13 28.22 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 120.46 -0.496 . . . . 64.05 110.384 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 83.2 mt -95.99 -7.62 35.91 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.342 -1.355 . . . . 64.13 107.342 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 113.11 -178.42 18.67 Favored Glycine 0 C--O 1.244 0.768 0 CA-C-N 114.28 -1.327 . . . . 63.12 112.127 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.489 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.9 mm -92.09 126.15 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 107.865 -1.161 . . . . 73.15 107.865 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 97.2 m-85 -118.97 148.08 43.36 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.442 0.639 . . . . 63.01 111.465 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.48 ' HA ' HG12 ' A' ' 605' ' ' VAL . 67.3 t -72.57 118.05 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 107.968 -1.123 . . . . 41.31 107.968 172.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.586 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 0.0 OUTLIER -93.76 -44.53 8.1 Favored 'General case' 0 C--N 1.273 -2.726 0 CA-C-N 115.622 -0.717 . . . . 64.13 111.103 -178.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 15.8 m -148.78 135.96 20.13 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-N 115.736 -0.665 . . . . 65.01 109.326 -174.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -94.04 135.7 27.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 107.62 -1.252 . . . . 62.23 107.62 172.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 73.0 mt -84.12 111.51 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.922 0 N-CA-C 107.134 -1.432 . . . . 72.21 107.134 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.16 108.7 3.71 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.087 -0.96 . . . . 74.15 110.689 -174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 130.78 -16.58 5.31 Favored Glycine 0 N--CA 1.431 -1.64 0 CA-C-N 115.22 -0.9 . . . . 60.25 111.369 -178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . 0.509 ' O ' ' HB3' ' A' ' 631' ' ' SER . . . -76.14 166.3 54.32 Favored Glycine 0 C--O 1.241 0.544 0 C-N-CA 120.623 -0.799 . . . . 72.23 111.947 178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.24 -34.56 78.64 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 122.647 -0.325 . . . . 55.33 111.666 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.47 -26.53 62.75 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.412 0.625 . . . . 42.43 109.797 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 628' ' ' GLY . 30.5 t -69.32 -53.19 20.92 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.775 -1.102 . . . . 75.45 109.456 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -75.65 -51.29 13.13 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 114.896 1.443 . . . . 71.31 114.896 -176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.94 -52.55 7.33 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.313 0.857 . . . . 71.22 113.313 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -75.19 -40.87 33.04 Favored Glycine 0 CA--C 1.501 -0.842 0 CA-C-N 115.554 -0.748 . . . . 43.14 113.824 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 56.19 80.4 0.15 Allowed 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.453 1.101 . . . . 60.33 112.01 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.13 162.23 28.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.816 0.817 . . . . 72.33 112.769 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 682' ' ' ARG . 6.2 ptm180 -110.64 -9.63 14.52 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 115.832 1.79 . . . . 64.55 115.832 -164.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 68.9 t 71.15 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 123.468 0.707 . . . . 64.12 112.691 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 61.83 32.39 18.08 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.668 -2.345 . . . . 74.11 104.668 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.4 t0 -98.66 130.12 45.16 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 111.98 -2.373 . . . . 70.23 109.28 -173.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -88.54 120.8 30.26 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 112.424 0.527 . . . . 71.54 112.424 -173.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.537 HD21 HG11 ' A' ' 605' ' ' VAL . 7.5 mp -78.31 117.63 19.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.455 0.645 . . . . 75.22 110.571 177.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 651' ' ' LEU . 45.1 mm -95.33 -56.22 5.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 CA-C-N 115.275 -0.875 . . . . 63.25 109.895 -176.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.442 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -143.26 155.49 44.51 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 114.87 -1.059 . . . . 73.33 110.186 -175.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.447 HG23 HD13 ' A' ' 678' ' ' LEU . 13.5 p -136.41 131.51 48.34 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 109.128 -0.693 . . . . 74.52 109.128 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 51.31 28.74 4.49 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.125 0.787 . . . . 73.33 113.125 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.75 -19.6 51.9 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 120.808 -0.711 . . . . 71.42 113.618 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -86.77 126.18 34.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.965 -0.754 . . . . 61.42 108.965 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.5 t -90.57 146.3 24.18 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 120.714 0.292 . . . . 73.32 110.294 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.41 ' O ' ' HG2' ' A' ' 653' ' ' LYS . 1.5 pp -133.39 5.19 3.74 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 113.551 0.945 . . . . 62.44 113.551 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 643' ' ' ILE . 4.9 tt -73.17 101.11 3.24 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.41 -0.959 . . . . 72.4 108.41 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 153.07 -29.58 0.8 Allowed Glycine 0 C--N 1.292 -1.904 0 N-CA-C 110.368 -1.093 . . . . 73.41 110.368 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.4 OUTLIER -90.68 169.04 11.32 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 109.074 -0.713 . . . . 73.53 109.074 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -79.0 167.84 20.53 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 116.304 -0.407 . . . . 72.4 111.301 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -53.15 -42.1 65.77 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.358 0.663 . . . . 73.24 111.681 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -63.89 -51.47 64.39 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.597 -0.729 . . . . 64.32 110.224 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.39 -39.94 95.86 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-N 115.167 -0.924 . . . . 72.13 109.701 -177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.56 88.24 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 115.046 -0.979 . . . . 75.11 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.1 mtt -62.65 -40.42 96.97 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 120.093 -0.643 . . . . 41.13 111.831 177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.0 mt-10 -59.32 -45.49 91.19 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 121.032 0.444 . . . . 73.3 110.154 178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 62.2 m -65.83 -48.36 71.92 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.274 -0.876 . . . . 64.12 109.555 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.463 HD23 HD23 ' B' ' 782' ' ' LEU . 39.7 tp -57.1 -50.64 72.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.297 -0.865 . . . . 63.13 111.721 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.467 ' HE ' HD13 ' B' ' 782' ' ' LEU . 92.8 mtt180 -55.03 -47.33 74.9 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.379 0.424 . . . . 74.41 110.38 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -63.54 -51.13 66.77 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.59 -0.732 . . . . 74.32 111.582 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 34.7 m -71.84 -35.34 69.85 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 120.514 -0.475 . . . . 64.22 111.675 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -74.94 -32.59 61.8 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.19 -0.604 . . . . 64.11 110.801 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 37.5 t -85.25 -53.0 5.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.115 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 95.5 m -66.05 -54.85 20.71 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.424 -0.353 . . . . 53.43 111.802 -176.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -90.48 -22.51 21.34 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.907 1.077 . . . . 53.34 113.907 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -59.86 -56.89 22.26 Favored Glycine 0 C--N 1.318 -0.438 0 C-N-CA 120.711 -0.757 . . . . 61.14 112.119 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.57 -21.68 60.28 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 122.685 -0.303 . . . . 74.45 111.81 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -69.83 -47.77 61.49 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.186 0.517 . . . . 61.12 110.534 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -77.38 -31.7 54.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.626 0.727 . . . . 72.04 109.969 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 102.65 -13.84 56.45 Favored Glycine 0 CA--C 1.502 -0.737 0 N-CA-C 110.308 -1.117 . . . . 71.51 110.308 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.493 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.9 ptp -148.24 154.58 40.26 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 109.183 -0.673 . . . . 45.11 109.183 177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . . . . . . . . . 7.3 tt -119.43 140.76 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.56 0 CA-C-N 115.146 -0.934 . . . . 74.33 110.736 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.5 132.62 51.44 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.978 -0.555 . . . . 73.53 109.888 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 645' ' ' VAL . 1.5 mm? -121.8 124.06 43.26 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.972 -0.751 . . . . 74.32 108.972 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 98.2 mt -110.02 115.8 50.62 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 N-CA-C 108.082 -1.081 . . . . 71.33 108.082 176.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.31 165.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 CA-C-N 114.554 -1.203 . . . . 70.43 109.452 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . 0.436 ' HB2' HD11 ' A' ' 643' ' ' ILE . . . -118.66 139.08 52.09 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-O 121.612 0.72 . . . . 60.25 111.725 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.446 ' HA ' ' NH1' ' A' ' 637' ' ' ARG . 35.2 ttt180 -107.68 121.9 45.63 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 107.356 -1.35 . . . . 75.02 107.356 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -79.53 123.62 27.74 Favored 'General case' 0 C--N 1.285 -2.199 0 C-N-CA 119.263 -0.975 . . . . 74.4 109.272 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 62.1 mt -83.48 -29.61 7.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.188 -1.412 . . . . 62.43 107.188 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 24.8 m -82.62 97.39 8.47 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 113.83 -1.532 . . . . 71.02 107.555 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -134.21 147.6 50.74 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.391 -0.966 . . . . 74.01 108.391 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.47 150.57 21.75 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.88 -1.156 . . . . 63.03 107.88 174.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -59.34 114.42 2.66 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 121.056 0.455 . . . . 53.12 110.786 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.764 -0.653 . . . . 62.51 110.531 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 109.321 -0.622 . . . . 73.41 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . 0.422 ' HB3' ' CD2' ' B' ' 773' ' ' LEU . 98.3 mt -117.02 156.25 27.82 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-N 116.106 -0.497 . . . . 61.34 110.731 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -80.65 -63.48 1.4 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.354 -0.385 . . . . 51.54 111.632 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -161.21 -38.52 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.544 0.572 . . . . 74.05 112.544 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' B' ' 770' ' ' LEU . 3.1 mm? 62.2 43.16 8.78 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.466 -0.788 . . . . 74.1 110.863 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -122.37 14.5 10.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.671 -1.233 . . . . 71.53 107.671 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 123.83 48.2 0.23 Allowed Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 114.989 -1.005 . . . . 65.11 111.841 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 37.3 t -142.87 124.51 14.93 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 106.984 -1.487 . . . . 62.02 106.984 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -45.38 103.91 0.37 Allowed Pre-proline 0 N--CA 1.472 0.651 0 O-C-N 124.932 1.395 . . . . 53.4 113.637 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.63 -48.43 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.664 2.243 . . . . 65.1 110.669 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -166.2 67.2 0.11 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 114.703 -1.135 . . . . 73.42 108.617 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -123.48 75.13 1.3 Allowed 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.541 1.163 . . . . 70.35 107.883 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.586 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 25.8 mt-10 -134.08 141.56 47.21 Favored 'General case' 0 C--N 1.277 -2.55 0 CA-C-N 112.637 -2.074 . . . . 71.13 108.27 -173.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.467 HD13 ' HE ' ' A' ' 663' ' ' ARG . 35.6 tp -125.02 126.47 45.47 Favored 'General case' 0 N--CA 1.398 -3.06 0 CA-C-N 115.992 -0.549 . . . . 74.12 109.684 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -100.7 126.34 54.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 N-CA-C 109.001 -0.74 . . . . 74.44 109.001 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . . . . . . . . . 27.2 pt . . . . . 0 N--CA 1.414 -2.264 0 CA-C-O 118.676 -0.678 . . . . 62.42 110.184 178.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.614 0 N-CA-C 111.132 -0.787 . . . . 62.32 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 40.7 p -72.91 -17.82 61.47 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.152 0.501 . . . . 64.41 111.513 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.94 -12.68 40.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 73.2 109.733 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -125.64 40.27 1.88 Allowed Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 120.593 -0.813 . . . . 54.34 111.835 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 26.6 m -85.94 -38.12 18.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.583 -1.266 . . . . 64.23 107.583 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . 0.413 ' CB ' ' HA ' ' A' ' 683' ' ' ARG . 35.8 ptt180 -145.11 153.91 41.91 Favored 'General case' 0 N--CA 1.42 -1.952 0 CA-C-N 114.936 -1.029 . . . . 75.24 109.405 173.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 19.9 mm-40 -108.38 134.72 50.79 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 110.028 -0.36 . . . . 63.04 110.028 -174.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . 0.412 ' C ' HD12 ' A' ' 587' ' ' LEU . 89.4 m-85 -100.66 122.72 43.78 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.214 -0.903 . . . . 72.1 110.198 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 586' ' ' PHE . 5.9 mp -122.09 137.12 54.93 Favored 'General case' 0 C--N 1.282 -2.36 0 N-CA-C 108.458 -0.941 . . . . 74.3 108.458 178.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 45.4 m -109.48 127.72 54.64 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 115.833 -0.621 . . . . 70.51 109.836 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -123.96 135.65 53.8 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.428 -0.805 . . . . 74.15 109.566 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -111.64 134.35 53.27 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.461 -0.941 . . . . 72.05 108.461 175.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.483 ' HB ' HG23 ' A' ' 676' ' ' ILE . 84.9 t -126.05 117.76 23.81 Favored Pre-proline 0 C--N 1.285 -2.205 0 CA-C-N 115.918 -0.583 . . . . 61.54 109.617 -173.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 60.4 Cg_endo -75.82 148.1 31.8 Favored 'Trans proline' 0 N--CA 1.44 -1.648 0 C-N-CA 121.279 1.319 . . . . 74.44 110.461 177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.38 82.87 5.47 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.715 0.769 . . . . 74.23 110.248 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -76.52 -160.85 0.16 Allowed 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 113.997 -1.456 . . . . 74.43 111.317 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -78.12 74.9 4.66 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 121.825 0.821 . . . . 73.25 110.737 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 15.1 p -110.12 -77.75 0.59 Allowed 'General case' 0 N--CA 1.402 -2.868 0 CA-C-N 114.059 -1.428 . . . . 63.1 109.312 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . 72.91 -63.56 1.59 Allowed Glycine 0 C--N 1.314 -0.654 0 C-N-CA 121.103 -0.57 . . . . 71.31 112.342 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 14.5 p -72.41 -28.53 63.03 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-O 121.459 0.647 . . . . 72.04 109.948 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.512 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -116.59 164.54 14.44 Favored 'General case' 1 N--CA 1.372 -4.349 0 N-CA-C 105.227 -2.138 . . . . 75.31 105.227 169.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -99.44 -62.52 0.83 Allowed Glycine 1 C--N 1.243 -4.62 0 N-CA-C 107.976 -2.05 . . . . 55.01 107.976 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.491 HD11 HD13 ' A' ' 676' ' ' ILE . 6.7 mp -103.47 -30.76 10.34 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 113.983 -1.108 . . . . 65.11 108.093 176.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.53 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 83.32 53.79 3.34 Favored Glycine 0 N--CA 1.406 -3.348 0 N-CA-C 109.487 -1.445 . . . . 74.21 109.487 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 18.0 t -136.17 153.25 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 N-CA-C 106.649 -1.611 . . . . 64.32 106.649 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.9 m -114.1 132.87 55.89 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 107.826 -1.175 . . . . 51.24 107.826 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 642' ' ' LEU . 6.6 m -124.4 159.93 29.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.321 0 O-C-N 123.546 0.529 . . . . 61.33 111.16 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.516 ' HB3' ' HD2' ' A' ' 622' ' ' LYS . 62.6 pttt -150.08 155.14 39.33 Favored 'General case' 0 C--N 1.273 -2.757 0 CA-C-N 115.458 -0.792 . . . . 51.21 109.104 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -103.71 125.69 8.52 Favored Glycine 0 C--N 1.282 -2.444 0 C-N-CA 118.762 -1.685 . . . . 70.41 111.505 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.543 HD22 ' N ' ' A' ' 609' ' ' ARG . 0.2 OUTLIER -94.75 130.13 41.4 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.017 -1.475 . . . . 72.23 107.017 -179.01 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.543 ' N ' HD22 ' A' ' 608' ' ' ASN . 17.3 ttp180 -133.75 129.86 37.25 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 120.963 0.411 . . . . 74.13 111.157 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 613' ' ' ASN . 49.7 m -86.92 114.75 23.82 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.342 -0.845 . . . . 65.35 108.741 178.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -80.61 -36.13 33.16 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 116.059 -0.519 . . . . 65.34 111.291 -173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 612' ' ' GLU . 0.0 OUTLIER -74.73 -34.69 62.6 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.509 0.671 . . . . 71.13 109.381 178.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 610' ' ' SER . 33.3 m-80 -76.47 -21.08 56.32 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.189 -0.914 . . . . 73.44 110.858 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 53.9 m80 61.39 35.68 17.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.742 0.782 . . . . 64.53 109.782 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -146.46 141.69 27.36 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.196 -0.911 . . . . 72.0 109.877 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.2 p-10 -79.07 153.11 30.44 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.772 -0.455 . . . . 75.31 109.772 176.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.53 -5.25 27.19 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.417 -0.957 . . . . 63.44 108.417 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.52 -166.39 15.08 Favored Glycine 0 N--CA 1.439 -1.162 0 CA-C-N 114.633 -1.167 . . . . 71.43 112.164 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.428 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 44.9 mm -98.25 133.69 39.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 108.445 -0.946 . . . . 74.4 108.445 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 88.4 m-85 -127.59 152.84 47.13 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 122.51 0.324 . . . . 75.34 110.944 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.06 136.75 24.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.799 -0.637 . . . . 73.12 109.51 175.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.516 ' HD2' ' HB3' ' A' ' 606' ' ' LYS . 0.0 OUTLIER -116.57 -35.14 4.32 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.04 0.447 . . . . 73.31 111.682 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 48.5 m -148.75 138.92 22.34 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.555 -0.293 . . . . 62.23 110.425 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.28 128.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 108.147 -1.057 . . . . 53.35 108.147 173.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 68.6 mt -90.83 113.92 27.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 109.539 -0.541 . . . . 74.2 109.539 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -61.5 126.84 28.79 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.319 -0.855 . . . . 71.42 109.408 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 108.79 -22.66 25.52 Favored Glycine 0 C--N 1.303 -1.3 0 N-CA-C 111.038 -0.825 . . . . 74.23 111.038 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -65.25 153.89 50.47 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.555 -0.322 . . . . 72.3 112.705 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -69.95 -36.48 75.3 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.946 0.403 . . . . 61.11 111.121 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -71.01 -26.8 63.28 Favored 'General case' 0 CA--C 1.494 -1.188 0 CA-C-O 121.572 0.701 . . . . 64.52 109.342 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 15.0 m -73.31 -51.82 16.15 Favored 'General case' 0 C--N 1.28 -2.417 0 CA-C-N 114.414 -1.266 . . . . 53.04 110.005 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.48 -52.87 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.275 0.472 . . . . 54.21 112.275 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.52 -51.04 9.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.968 0.729 . . . . 74.12 112.968 -171.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.32 -42.65 7.84 Favored Glycine 0 C--N 1.318 -0.43 0 C-N-CA 120.487 -0.863 . . . . 54.14 114.095 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? 68.38 82.77 0.17 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.951 0.882 . . . . 74.12 110.781 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.8 mp -104.51 163.98 12.08 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.09 -0.959 . . . . 64.14 111.411 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.547 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 9.5 ptt-85 -112.4 163.1 14.82 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 114.318 -1.31 . . . . 63.1 111.255 -175.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 47.8 t -81.32 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.122 -0.944 . . . . 71.31 109.157 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . 0.683 ' OD1' ' HD2' ' A' ' 686' ' ' ARG . 2.3 t-20 73.33 18.24 3.75 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.172 1.389 . . . . 73.41 112.092 176.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.845 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 11.9 t70 -81.1 153.14 27.47 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.383 -1.71 . . . . 74.13 106.383 173.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . 0.407 ' HB2' ' CE2' ' A' ' 620' ' ' PHE . 0.1 OUTLIER -105.47 115.92 31.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 118.525 0.602 . . . . 64.22 109.638 -174.425 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.49 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.7 mp -72.64 118.32 15.42 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.558 0.694 . . . . 61.43 111.668 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.407 HG13 ' CE2' ' A' ' 586' ' ' PHE . 45.7 mm -95.06 -62.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.092 -0.958 . . . . 71.35 111.744 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -132.97 140.73 47.94 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-N 115.675 -0.693 . . . . 64.11 110.958 -175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.51 HG21 ' CD2' ' A' ' 662' ' ' LEU . 32.8 t -125.08 119.05 54.74 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 N-CA-C 107.741 -1.207 . . . . 72.13 107.741 -177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 49.91 44.48 25.33 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.391 0.615 . . . . 43.14 111.351 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 73.24 0.09 50.75 Favored Glycine 0 CA--C 1.541 1.67 0 CA-C-N 115.192 -0.913 . . . . 73.42 114.479 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.87 127.1 41.6 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 117.362 0.581 . . . . 73.34 109.494 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 31.5 t -94.07 148.93 21.69 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.677 0.751 . . . . 72.24 111.932 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 78.5 mt -106.59 -6.63 17.88 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.202 -0.908 . . . . 70.22 109.804 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.17 100.01 1.59 Allowed 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.902 -0.59 . . . . 54.12 111.41 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 132.35 -14.38 5.09 Favored Glycine 0 C--N 1.3 -1.46 0 C-N-CA 120.344 -0.931 . . . . 53.43 112.197 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -110.22 149.22 30.45 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 120.901 -0.32 . . . . 64.51 110.143 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.456 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -59.91 164.36 3.92 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.909 0.756 . . . . 70.5 111.813 -177.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -54.35 -47.12 72.93 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.806 0.443 . . . . 64.04 112.047 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.693 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -73.07 -34.99 66.58 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.588 -0.445 . . . . 64.22 111.302 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . 0.456 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 41.0 mm-40 -61.53 -46.3 90.53 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 108.423 -0.955 . . . . 75.23 108.423 176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.34 -47.34 81.83 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-N 114.225 -1.352 . . . . 75.45 110.622 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.506 ' O ' ' HG3' ' A' ' 663' ' ' ARG . 53.3 mtt -60.47 -37.13 80.03 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 113.855 1.058 . . . . 45.04 113.855 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.42 -48.37 75.64 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.022 -0.733 . . . . 64.0 109.022 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 82.9 m -65.27 -35.15 80.14 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.316 -0.857 . . . . 75.24 109.714 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.51 ' CD2' HG21 ' A' ' 645' ' ' VAL . 2.6 tm? -63.92 -56.11 17.7 Favored 'General case' 0 C--N 1.307 -1.239 0 C-N-CA 124.302 1.041 . . . . 70.11 109.743 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 659' ' ' MET . 80.8 mtp180 -56.77 -46.29 81.55 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.361 0.6 . . . . 72.33 110.382 -178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -63.99 -48.29 77.0 Favored 'General case' 0 C--O 1.2 -1.512 0 CA-C-N 115.0 -1.0 . . . . 74.21 111.949 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 33.6 m -75.66 -32.88 60.36 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.79 -0.764 . . . . 65.13 111.581 -174.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 662' ' ' LEU . 4.3 ppp? -72.52 -30.83 64.83 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.609 -0.437 . . . . 74.3 110.695 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 33.1 t -92.06 -55.9 3.27 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.558 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 85.2 m -62.75 -47.5 83.26 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.667 0.617 . . . . 74.43 112.667 -174.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 673' ' ' ARG . 7.5 tp10 -87.83 -35.6 17.71 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.267 0.556 . . . . 72.22 109.577 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.25 -51.28 56.12 Favored Glycine 0 C--O 1.238 0.36 0 CA-C-N 116.02 -0.537 . . . . 55.42 113.141 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -77.67 -2.88 38.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.751 0.786 . . . . 61.13 110.118 -177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -87.0 -46.9 9.4 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.772 -0.649 . . . . 72.22 109.486 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 669' ' ' GLU . 14.4 mmt180 -78.84 -27.99 44.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.728 -0.669 . . . . 61.54 110.193 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 98.63 -13.36 62.64 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.179 -1.168 . . . . 72.45 110.179 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.428 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 23.1 ptm -148.27 145.81 28.35 Favored 'General case' 0 N--CA 1.432 -1.359 0 N-CA-C 108.619 -0.882 . . . . 41.52 108.619 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.491 HD13 HD11 ' A' ' 601' ' ' LEU . 6.9 tt -111.25 143.44 21.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.317 0 CA-C-N 115.573 -0.74 . . . . 73.44 110.424 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -108.94 131.37 55.1 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.141 -0.481 . . . . 73.23 109.896 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -126.53 124.57 40.32 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.839 -0.43 . . . . 74.42 109.839 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.76 121.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 105.93 -1.878 . . . . 64.24 105.93 170.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.845 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.1 m -122.98 152.93 27.85 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.326 0 O-C-N 123.489 0.493 . . . . 64.35 109.758 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -127.7 126.15 41.35 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 120.959 0.409 . . . . 53.5 111.654 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.447 ' O ' ' HD2' ' A' ' 682' ' ' ARG . 6.3 ppt_? -110.77 123.65 50.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 107.869 -1.16 . . . . 75.23 107.869 175.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . 0.485 ' HG3' ' HB2' ' A' ' 686' ' ' ARG 0.26 37.2 ptt180 -91.25 137.39 32.4 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 112.98 0.733 . . . . 71.41 112.98 -176.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.65 -10.93 13.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.889 0.852 . . . . 63.14 111.363 -172.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 38.6 m -95.37 14.4 22.6 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.75 -0.659 . . . . 60.4 109.67 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . 0.683 ' HD2' ' OD1' ' A' ' 639' ' ' ASN . 0.0 OUTLIER -98.38 104.43 16.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.049 -1.463 . . . . 54.33 107.049 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.4 p -78.26 94.41 4.79 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.275 0.559 . . . . 74.53 110.905 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -93.66 118.29 31.2 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.77 -0.456 . . . . 70.3 109.77 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.309 -1.184 0 N-CA-C 108.071 -1.085 . . . . 74.34 108.071 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.304 -0.628 . . . . 73.22 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 84.8 mt 53.41 75.15 0.27 Allowed 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.324 -1.307 . . . . 72.11 112.852 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.54 -1.81 3.86 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 108.894 -0.78 . . . . 42.41 108.894 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' B' ' 772' ' ' GLU . 1.3 mp0 -63.14 113.91 3.43 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 114.614 -1.175 . . . . 72.43 110.361 -176.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . 0.532 ' H ' HD23 ' B' ' 773' ' ' LEU . 2.0 pt? -121.44 153.04 38.41 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.21 -0.663 . . . . 74.14 109.21 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -125.16 109.87 13.4 Favored 'General case' 0 N--CA 1.401 -2.911 0 N-CA-C 104.741 -2.318 . . . . 73.54 104.741 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -70.45 69.54 0.7 Allowed Glycine 0 N--CA 1.429 -1.816 0 N-CA-C 116.798 1.479 . . . . 63.43 116.798 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 61.9 p -168.36 88.79 0.24 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.645 1.178 . . . . 74.53 108.838 171.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -93.58 165.82 17.3 Favored Pre-proline 0 C--N 1.304 -1.373 0 CA-C-N 115.934 -0.575 . . . . 70.43 109.958 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.46 -10.03 12.53 Favored 'Trans proline' 0 C--N 1.364 1.382 0 C-N-CA 123.277 2.651 . . . . 72.42 115.209 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -94.38 -2.97 51.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.229 0.538 . . . . 74.13 110.362 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -95.99 8.83 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.144 0.973 . . . . 64.13 108.722 175.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.438 ' OE2' ' HE2' ' A' ' 622' ' ' LYS . 30.4 mt-10 -115.81 136.39 53.09 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 113.293 -1.776 . . . . 75.41 107.871 173.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.402 ' CD2' HD12 ' A' ' 662' ' ' LEU . 63.9 tp -137.11 130.81 31.77 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 109.851 -0.425 . . . . 73.13 109.851 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . 0.406 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.4 mp -101.53 127.85 54.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 109.841 -0.429 . . . . 71.44 109.841 178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.507 HG21 HD11 ' A' ' 662' ' ' LEU . 15.6 pt . . . . . 0 N--CA 1.412 -2.331 0 CA-C-O 118.232 -0.89 . . . . 64.23 109.771 178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.473 0 N-CA-C 111.07 -0.812 . . . . 74.41 111.07 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 28.9 p -90.42 -64.18 1.17 Allowed 'General case' 0 N--CA 1.431 -1.379 0 C-N-CA 122.581 0.353 . . . . 75.22 111.531 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -76.14 107.43 8.36 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 113.385 0.883 . . . . 71.41 113.385 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 75.17 -173.17 53.03 Favored Glycine 0 N--CA 1.428 -1.889 0 CA-C-N 114.741 -1.118 . . . . 73.55 111.827 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 17.8 p -95.12 92.82 7.0 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-O 120.908 0.385 . . . . 43.41 110.37 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -146.48 140.72 26.43 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 116.341 -0.39 . . . . 64.22 110.378 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -113.2 162.65 15.74 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.48 122.46 39.41 Favored 'General case' 0 CA--C 1.492 -1.273 0 CA-C-N 116.383 -0.372 . . . . 73.4 111.263 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.38 131.7 54.83 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 116.007 -0.542 . . . . 73.12 109.723 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 47.8 m -104.37 121.5 43.51 Favored 'General case' 0 C--N 1.266 -3.034 0 CA-C-N 115.21 -0.905 . . . . 70.55 109.741 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -121.34 126.45 49.49 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.558 -0.904 . . . . 71.23 108.558 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.57 120.79 43.28 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 121.558 0.695 . . . . 54.21 109.599 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 676' ' ' ILE . 83.7 t -108.04 118.22 53.19 Favored Pre-proline 0 C--N 1.279 -2.469 0 CA-C-N 114.496 -1.229 . . . . 72.11 109.525 -172.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 73.4 Cg_endo -75.02 145.83 31.84 Favored 'Trans proline' 0 N--CA 1.441 -1.567 0 C-N-CA 121.586 1.524 . . . . 65.43 111.24 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.4 80.24 4.8 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.663 0.744 . . . . 71.11 109.5 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 596' ' ' SER . 86.1 m-20 -120.54 -65.61 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.546 -1.206 . . . . 62.1 110.358 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -84.47 15.37 3.75 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.941 0.877 . . . . 71.14 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.683 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 21.6 m -78.45 8.81 4.6 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.071 1.348 . . . . 71.13 112.671 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -88.38 -22.55 40.28 Favored Glycine 0 N--CA 1.421 -2.366 0 C-N-CA 120.026 -1.083 . . . . 54.12 111.913 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 23.7 t -92.89 -30.99 15.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.07 0.938 . . . . 62.44 109.763 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.683 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -164.18 155.03 15.41 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 103.907 -2.627 . . . . 72.53 103.907 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -65.06 -55.82 19.59 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 111.301 -0.719 . . . . 51.1 111.301 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 676' ' ' ILE . 12.0 mt -112.42 -32.65 6.42 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.734 -0.839 . . . . 52.43 108.734 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 91.73 41.05 5.14 Favored Glycine 0 N--CA 1.411 -3.005 0 N-CA-C 109.759 -1.336 . . . . 71.23 109.759 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.35 152.56 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.201 0 N-CA-C 106.912 -1.514 . . . . 72.13 106.912 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.445 ' C ' ' HB3' ' A' ' 622' ' ' LYS . 24.7 m -109.92 136.94 48.42 Favored 'General case' 0 C--N 1.267 -2.999 0 N-CA-C 106.265 -1.754 . . . . 54.41 106.265 171.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 621' ' ' VAL . 3.7 m -126.67 163.5 28.92 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-O 121.158 0.504 . . . . 75.35 111.129 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.611 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 60.0 pttt -149.62 152.29 35.18 Favored 'General case' 0 C--N 1.278 -2.537 0 CA-C-N 115.039 -0.982 . . . . 74.54 109.603 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.8 134.85 12.3 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.908 -1.139 . . . . 62.33 111.233 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.94 139.63 40.19 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.908 -0.775 . . . . 63.23 108.908 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 79.7 ttt180 -133.18 139.54 47.08 Favored 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 108.153 -1.054 . . . . 75.34 108.153 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.462 ' HB3' ' HB3' ' A' ' 613' ' ' ASN . 40.7 m -56.9 113.94 1.89 Allowed 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 123.914 0.759 . . . . 70.1 110.406 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.578 ' HD2' ' O ' ' B' ' 775' ' ' GLY . 48.2 mtmt -59.14 -40.16 84.66 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 124.478 1.111 . . . . 73.32 111.724 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -104.86 -39.23 6.36 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.98 -0.555 . . . . 61.12 111.66 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 610' ' ' SER . 11.6 t30 -74.35 -18.26 60.71 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.186 0.517 . . . . 72.3 111.619 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 31.8 m170 68.79 7.19 5.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.977 1.473 . . . . 72.23 114.977 172.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -102.73 151.89 21.86 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.598 -0.889 . . . . 50.41 108.598 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.1 p-10 -78.75 145.09 34.62 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.479 -0.489 . . . . 74.14 111.082 -177.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.49 -7.61 37.62 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.367 -0.975 . . . . 72.42 108.367 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 104.72 -177.64 23.64 Favored Glycine 0 N--CA 1.436 -1.329 0 CA-C-N 114.423 -1.262 . . . . 55.21 112.834 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.414 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.3 mm -93.22 130.83 41.7 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 109.27 -0.641 . . . . 74.31 109.27 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 95.3 m-85 -123.83 152.61 42.1 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 122.655 0.382 . . . . 74.21 110.436 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 605' ' ' VAL . 68.5 t -66.19 127.08 26.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.798 0.808 . . . . 70.1 110.672 174.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.445 ' HB3' ' C ' ' A' ' 604' ' ' SER . 39.9 tttp -92.87 -59.13 2.13 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 114.263 -1.335 . . . . 64.2 110.608 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 35.0 m -150.24 146.46 26.83 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 109.664 -0.495 . . . . 74.11 109.664 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.85 130.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 109.618 -0.512 . . . . 75.14 109.618 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 74.0 mt -91.45 113.28 26.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.055 -1.461 . . . . 74.14 107.055 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.08 81.28 5.36 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 122.07 0.938 . . . . 74.31 110.239 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 163.55 45.07 0.02 OUTLIER Glycine 0 N--CA 1.422 -2.252 0 N-CA-C 108.61 -1.796 . . . . 55.12 108.61 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -148.78 159.32 27.99 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.242 -1.143 . . . . 74.54 110.242 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -70.81 -35.48 72.52 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 112.173 0.435 . . . . 62.1 112.173 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -70.31 -26.51 63.81 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 121.566 0.698 . . . . 72.54 110.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 12.8 m -72.4 -52.86 14.14 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 114.74 -1.118 . . . . 52.15 109.756 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.67 -52.58 10.19 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.462 0.541 . . . . 64.04 112.462 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -79.89 -51.26 9.33 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 120.668 -0.413 . . . . 75.33 110.747 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -62.63 -42.63 99.67 Favored Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.284 -0.871 . . . . 54.43 114.087 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? 68.0 32.37 5.09 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.737 0.415 . . . . 63.34 111.387 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.98 158.88 34.8 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.982 0.734 . . . . 74.42 112.982 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 640' ' ' ASP . 1.4 ppt_? -114.74 158.16 22.2 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.514 -1.221 . . . . 75.42 112.024 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.32 143.85 14.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-N 116.325 -0.398 . . . . 63.42 110.364 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 66.51 29.19 9.2 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.85 1.26 . . . . 64.52 109.804 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.781 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 9.0 t70 -82.0 146.25 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.728 -1.582 . . . . 71.15 106.728 173.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.89 112.52 24.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.861 -0.792 . . . . 74.3 108.861 -176.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.421 ' CD2' HG11 ' A' ' 605' ' ' VAL . 5.5 mp -73.29 112.82 9.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.61 -0.723 . . . . 72.43 110.747 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.405 HD12 HD12 ' A' ' 651' ' ' LEU . 35.0 mm -90.88 -54.87 6.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.27 -0.877 . . . . 54.11 111.541 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -142.29 152.14 42.7 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.295 0.48 . . . . 71.13 112.295 -173.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.474 HG22 HD11 ' A' ' 650' ' ' LEU . 33.3 m -132.11 134.85 59.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 116.165 -0.47 . . . . 73.11 110.19 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 45.23 36.07 2.04 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.144 1.164 . . . . 72.24 114.144 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.02 37.87 Favored Glycine 0 C--N 1.313 -0.715 0 C-N-CA 119.872 -1.156 . . . . 61.43 114.976 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.52 131.76 37.39 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 118.336 1.068 . . . . 74.04 111.305 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.6 m -79.32 128.76 33.73 Favored 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 123.574 0.546 . . . . 75.13 109.749 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.474 HD11 HG22 ' A' ' 645' ' ' VAL . 7.7 mp -101.22 -15.98 17.14 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 116.285 -0.416 . . . . 72.33 111.098 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 643' ' ' ILE . 5.3 tt -71.28 93.41 1.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 107.617 -1.253 . . . . 61.14 107.617 177.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 155.4 -32.39 0.64 Allowed Glycine 0 C--N 1.298 -1.573 0 N-CA-C 109.962 -1.255 . . . . 73.22 109.962 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -92.63 162.3 14.23 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.325 -0.62 . . . . 72.24 109.325 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -68.9 167.34 15.9 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 123.322 0.389 . . . . 54.12 110.848 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.649 ' O ' ' HG3' ' A' ' 659' ' ' MET . 92.1 m-20 -58.21 -47.95 81.87 Favored 'General case' 0 CA--C 1.492 -1.277 0 C-N-CA 121.3 -0.16 . . . . 52.21 110.89 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 660' ' ' GLU . 21.4 mt-30 -54.53 -44.77 73.09 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.244 0.545 . . . . 74.31 110.518 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -65.07 -48.07 75.07 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.972 -1.013 . . . . 72.22 109.98 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.22 86.03 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.214 -0.903 . . . . 70.22 110.979 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.649 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 77.9 mtp -64.75 -40.48 95.36 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.611 -0.268 . . . . 71.41 110.862 -177.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 656' ' ' GLN . 46.5 mt-10 -68.46 -40.4 81.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.805 -0.758 . . . . 54.42 110.432 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 93.3 m -65.41 -40.02 92.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.24 0.543 . . . . 52.14 109.857 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 666' ' ' MET . 39.1 tp -59.75 -55.87 28.96 Favored 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.164 0.986 . . . . 72.4 111.633 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 659' ' ' MET . 16.4 ptm180 -68.69 -30.3 68.93 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.244 -0.582 . . . . 74.11 111.284 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -72.33 -42.42 65.39 Favored 'General case' 0 C--O 1.2 -1.547 0 CA-C-N 116.509 -0.314 . . . . 73.14 110.995 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 51.3 m -66.39 -34.01 76.99 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 120.66 -0.416 . . . . 73.15 111.392 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.453 ' HE1' ' HB ' ' B' ' 784' ' ' ILE . 19.6 ptp -77.16 -18.37 57.89 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 120.697 -0.401 . . . . 72.51 111.824 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 39.2 t -92.57 -55.96 3.2 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.221 0.534 . . . . 74.42 109.626 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 41.7 m -71.06 -48.33 53.32 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.698 -0.683 . . . . 63.3 111.906 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.31 -15.33 21.97 Favored 'General case' 0 C--N 1.31 -1.12 0 C-N-CA 120.084 -0.647 . . . . 62.52 111.754 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -62.92 -71.19 0.87 Allowed Glycine 0 C--O 1.255 1.434 0 N-CA-C 111.075 -0.81 . . . . 43.41 111.075 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -79.04 79.55 5.43 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.28 -1.007 . . . . 65.25 108.28 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -175.5 -54.9 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.592 -1.64 . . . . 75.14 107.789 -176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -84.11 -41.34 17.21 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.392 -0.822 . . . . 73.13 109.678 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 112.91 -24.38 13.04 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.315 -1.114 . . . . 44.11 110.315 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.44 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 25.8 ptt? -146.17 153.71 40.96 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.804 -0.443 . . . . 65.3 109.804 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.63 HG21 HD21 ' A' ' 601' ' ' LEU . 3.6 tt -111.67 139.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 CA-C-N 115.072 -0.967 . . . . 75.34 109.73 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -102.39 130.13 49.07 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.655 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.7 124.03 42.47 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 116.053 -0.521 . . . . 63.3 109.653 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -105.03 119.52 54.19 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.404 -1.702 . . . . 73.13 106.404 171.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.781 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 23.4 m -122.78 162.71 22.43 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 108.717 -0.846 . . . . 64.31 108.717 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.03 125.97 54.31 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-O 121.242 0.544 . . . . 72.23 110.035 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -108.09 120.48 42.46 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-O 121.307 0.575 . . . . 74.31 110.078 -176.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -73.92 123.66 24.68 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-N 114.592 -1.185 . . . . 71.11 110.131 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 60.2 mt -93.88 99.18 9.15 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 N-CA-C 107.585 -1.265 . . . . 75.03 107.585 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 23.2 t -170.76 144.06 2.22 Favored 'General case' 0 C--N 1.285 -2.233 0 CA-C-N 114.164 -1.38 . . . . 61.33 107.447 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -108.79 155.73 20.43 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.917 -0.401 . . . . 72.34 109.917 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 43.9 t 73.72 -38.39 0.4 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.743 1.217 . . . . 54.14 112.242 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -71.7 119.18 15.49 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.228 -0.656 . . . . 74.52 109.228 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 109.775 -0.454 . . . . 70.24 109.775 -178.414 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 C--O 1.245 0.852 0 N-CA-C 110.06 -0.348 . . . . 71.21 110.06 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 86.1 mt 54.31 78.8 0.15 Allowed 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.466 1.106 . . . . 72.34 111.625 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -106.11 101.92 11.37 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.308 -0.86 . . . . 74.43 110.653 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -127.25 155.45 43.45 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.04 -1.096 . . . . 74.24 108.04 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . 0.642 ' O ' HD13 ' B' ' 773' ' ' LEU . 3.3 tm? 72.63 5.0 5.15 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 123.323 1.535 . . . . 72.01 107.943 -175.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -132.54 114.37 14.18 Favored 'General case' 0 N--CA 1.41 -2.452 0 N-CA-C 104.963 -2.236 . . . . 75.21 104.963 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . 0.578 ' O ' ' HD2' ' A' ' 611' ' ' LYS . . . -79.3 158.65 44.09 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.363 -1.399 . . . . 73.44 111.533 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 39.6 m -143.62 151.64 40.4 Favored 'General case' 0 N--CA 1.407 -2.602 0 N-CA-C 106.053 -1.832 . . . . 61.2 106.053 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.26 149.14 98.59 Favored Pre-proline 0 C--N 1.288 -2.082 0 N-CA-C 109.259 -0.645 . . . . 75.41 109.259 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.31 1.01 3.31 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.068 2.512 . . . . 73.25 114.748 -174.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 62.82 92.49 0.06 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.477 1.111 . . . . 74.15 111.543 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.2 mt-10 -122.46 94.02 4.16 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 108.542 -0.91 . . . . 73.21 108.542 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.611 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 44.4 mt-10 -118.8 136.86 53.77 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.812 -0.631 . . . . 75.3 112.19 -175.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . . . . . . . . . 57.7 tp -135.67 132.41 36.93 Favored 'General case' 0 N--CA 1.422 -1.843 0 CA-C-N 115.312 -0.858 . . . . 60.04 110.269 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 604' ' ' SER . 2.0 mp -96.29 121.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 N-CA-C 108.098 -1.075 . . . . 74.04 108.098 170.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.453 ' HB ' ' HE1' ' A' ' 666' ' ' MET . 8.9 pt . . . . . 0 N--CA 1.403 -2.8 0 CA-C-O 117.534 -1.222 . . . . 38.96 110.864 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.034 0 N-CA-C 110.43 -1.068 . . . . 50.33 110.43 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 46.4 m -142.04 22.71 2.07 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 117.175 0.488 . . . . 64.15 110.102 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.74 117.26 4.39 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.94 -0.573 . . . . 63.53 112.07 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 149.05 155.47 6.74 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.89 -1.284 . . . . 74.13 109.89 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 12.3 t -84.61 7.41 20.28 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 122.467 1.127 . . . . 73.35 110.508 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 154.31 49.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 114.914 -1.039 . . . . 75.02 108.566 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.66 163.24 13.66 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.655 -0.869 . . . . 73.51 108.655 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.12 129.48 54.83 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 120.976 0.417 . . . . 73.41 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.66 131.16 55.48 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.958 -0.756 . . . . 62.22 108.958 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 37.7 m -110.5 122.07 46.84 Favored 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 115.243 -0.89 . . . . 73.52 109.063 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -121.27 134.36 55.16 Favored 'General case' 0 N--CA 1.425 -1.692 0 N-CA-C 108.912 -0.773 . . . . 74.54 108.912 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.71 113.94 21.41 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.759 -0.83 . . . . 64.05 108.759 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.441 HG23 HD21 ' A' ' 678' ' ' LEU . 98.7 t -110.31 117.18 51.89 Favored Pre-proline 0 C--N 1.27 -2.87 0 CA-C-N 114.453 -1.249 . . . . 73.5 110.871 -169.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.33 148.87 49.93 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.749 1.633 . . . . 65.31 110.35 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.82 78.98 0.87 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.848 0.832 . . . . 75.22 111.285 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -114.29 119.15 36.01 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.741 -1.118 . . . . 61.41 110.636 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 18.5 t70 63.98 24.09 13.5 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.861 1.315 . . . . 73.34 108.566 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 49.1 m -75.14 11.06 1.25 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.673 -1.603 . . . . 64.34 113.473 -175.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.28 -34.49 20.27 Favored Glycine 0 N--CA 1.419 -2.46 0 C-N-CA 119.799 -1.191 . . . . 61.13 110.874 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 28.6 t -84.09 -43.56 14.94 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 121.776 0.798 . . . . 74.43 109.548 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -149.09 132.87 16.96 Favored 'General case' 0 C--N 1.282 -2.354 0 N-CA-C 106.561 -1.644 . . . . 71.41 106.561 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 596' ' ' SER . . . -61.98 -60.82 7.43 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 124.006 0.816 . . . . 73.55 111.988 -173.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.447 HD11 HG21 ' A' ' 676' ' ' ILE . 6.5 mp -108.59 -25.92 10.65 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.163 -1.051 . . . . 74.31 108.163 176.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.495 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 79.71 48.74 6.48 Favored Glycine 0 N--CA 1.402 -3.579 0 CA-C-N 114.421 -1.263 . . . . 52.42 109.986 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.67 151.14 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 N-CA-C 106.625 -1.621 . . . . 73.34 106.625 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 37.7 m -113.43 134.02 54.88 Favored 'General case' 0 N--CA 1.406 -2.626 0 N-CA-C 107.177 -1.416 . . . . 70.51 107.177 173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.463 HG11 ' CD2' ' A' ' 642' ' ' LEU . 2.9 m -124.55 160.75 28.92 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 CA-C-O 121.33 0.586 . . . . 74.44 111.805 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.458 ' HB3' ' HG2' ' B' ' 781' ' ' GLU . 66.0 pttt -149.5 153.06 36.63 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.835 -1.075 . . . . 74.42 109.452 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -124.85 139.38 11.68 Favored Glycine 0 C--N 1.275 -2.831 0 C-N-CA 119.894 -1.146 . . . . 63.34 111.792 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -123.58 140.33 53.11 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 120.969 0.414 . . . . 74.21 111.37 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.531 ' HB2' ' OD1' ' A' ' 655' ' ' ASN . 55.3 ttp180 -129.7 125.74 36.67 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 109.215 -0.661 . . . . 73.11 109.215 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.441 ' HB3' ' OE2' ' A' ' 612' ' ' GLU . 45.8 m -88.7 92.65 9.29 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 108.043 -1.095 . . . . 72.43 108.043 178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.421 ' HD2' ' CA ' ' B' ' 775' ' ' GLY . 23.0 ttmm -69.2 -23.44 63.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.727 -0.67 . . . . 64.3 111.229 -173.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 610' ' ' SER . 0.0 OUTLIER -77.86 -26.9 49.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.253 0.549 . . . . 75.4 111.845 177.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -85.1 -22.01 29.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.352 -1.351 . . . . 75.03 107.352 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.5 m80 76.65 20.94 1.33 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.938 1.695 . . . . 75.03 110.15 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -132.57 142.28 49.08 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.113 -0.494 . . . . 70.25 111.363 -175.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.469 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 6.4 p-10 -85.14 143.33 28.89 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.929 -0.767 . . . . 72.5 108.929 177.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 74.4 mt -90.97 -10.89 40.7 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.991 -0.744 . . . . 64.1 108.991 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 94.17 -167.42 27.75 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 115.023 -0.99 . . . . 52.54 111.925 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 42.9 mm -99.53 136.34 31.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.509 -0.923 . . . . 61.24 108.509 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 94.9 m-85 -128.32 147.25 50.61 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 123.309 0.381 . . . . 73.5 110.445 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.455 ' HA ' HG12 ' A' ' 605' ' ' VAL . 62.6 t -68.9 126.68 29.38 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 109.137 -0.69 . . . . 62.31 109.137 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -98.68 -42.78 7.08 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 120.786 0.327 . . . . 70.32 111.236 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 31.2 t -149.68 145.03 26.49 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.822 -0.436 . . . . 72.52 109.822 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.53 129.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 N-CA-C 108.963 -0.754 . . . . 63.25 108.963 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 68.7 mt -90.58 120.26 39.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 109.246 -0.65 . . . . 70.23 109.246 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -68.8 128.63 37.37 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.022 -0.535 . . . . 70.13 110.2 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 103.92 -8.19 49.86 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 110.881 -0.887 . . . . 75.34 110.881 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -74.67 146.59 35.71 Favored Glycine 0 N--CA 1.433 -1.544 0 N-CA-C 110.69 -0.964 . . . . 51.1 110.69 176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.53 84.18 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.964 0.382 . . . . 63.54 111.395 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -68.23 -31.26 70.63 Favored 'General case' 0 CA--C 1.488 -1.416 0 CA-C-O 121.398 0.618 . . . . 72.34 109.853 178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 43.7 t -71.82 -52.16 18.88 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 114.808 -1.087 . . . . 65.32 109.603 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.73 -50.86 39.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 112.625 0.602 . . . . 72.41 112.625 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -79.35 -51.21 9.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 112.567 0.58 . . . . 72.14 112.567 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -82.73 -41.96 8.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.585 -0.734 . . . . 74.32 114.788 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 64.34 79.08 0.27 Allowed 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.43 0.633 . . . . 74.44 111.153 -176.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.6 mp -95.57 -178.21 4.33 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.92 -0.582 . . . . 60.3 110.125 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.438 ' HD3' ' OD1' ' A' ' 688' ' ' ASN . 17.4 ptp180 -129.28 168.35 16.35 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.631 -176.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 48.3 t -83.0 152.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 108.279 -1.008 . . . . 61.35 108.279 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 62.8 31.62 16.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 122.35 1.072 . . . . 71.44 109.26 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.657 ' OD2' ' HB ' ' A' ' 680' ' ' VAL . 5.5 t70 -97.41 144.14 27.44 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 106.87 -1.53 . . . . 72.14 106.87 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.19 115.43 28.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 120.921 0.391 . . . . 75.13 110.782 -169.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.463 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.3 mp -75.49 124.73 27.68 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.507 0.723 . . . . 74.45 112.365 -178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 41.2 mm -102.39 -54.72 6.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.47 -0.786 . . . . 72.42 111.83 -174.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.471 ' HB3' HD12 ' A' ' 679' ' ' ILE . . . -141.04 157.23 45.6 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 115.923 -0.581 . . . . 75.33 111.487 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.07 131.02 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 CA-C-N 115.63 -0.714 . . . . 64.43 110.317 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.529 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 81.9 m-20 52.67 22.76 2.37 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.963 1.468 . . . . 65.03 114.963 -178.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.7 -12.49 56.48 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.749 -0.738 . . . . 74.31 112.911 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -101.74 126.39 48.59 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 109.51 -0.552 . . . . 73.14 109.51 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 52.8 p -84.88 130.07 34.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.003 0.43 . . . . 74.42 111.962 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 658' ' ' ALA . 1.7 pp -110.94 0.56 17.11 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 112.783 0.66 . . . . 72.31 112.783 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 56.1 tp -80.39 82.99 6.3 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.654 0.74 . . . . 71.44 109.816 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 168.62 36.1 0.02 OUTLIER Glycine 0 C--N 1.302 -1.334 0 CA-C-N 114.605 -1.18 . . . . 53.32 110.343 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 650' ' ' LEU . 0.5 OUTLIER -161.21 179.77 8.09 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.425 -1.324 . . . . 74.43 107.425 -177.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.421 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -74.1 164.65 26.35 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.762 0.315 . . . . 34.41 111.006 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.531 ' OD1' ' HB2' ' A' ' 609' ' ' ARG . 10.2 m120 -62.19 -47.25 85.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.861 -0.608 . . . . 75.44 110.734 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 10.4 pt20 -61.37 -40.26 93.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.863 -0.608 . . . . 75.54 110.915 178.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . 0.421 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 63.7 mm-40 -62.22 -45.2 94.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.142 0.496 . . . . 61.31 109.701 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.468 ' HB1' HD13 ' A' ' 650' ' ' LEU . . . -59.69 -45.46 92.02 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.145 -0.934 . . . . 71.34 111.189 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.691 ' HB3' HD22 ' B' ' 782' ' ' LEU . 34.1 mtm -73.66 -28.33 61.71 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 119.569 -0.853 . . . . 75.51 112.51 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 20.0 mm-40 -65.15 -39.05 92.46 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.76 -0.83 . . . . 75.42 108.76 171.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 81.2 m -61.02 -42.16 97.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.359 -0.837 . . . . 64.44 109.285 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 -53.35 59.23 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.474 -0.33 . . . . 71.21 110.423 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 659' ' ' MET . 83.8 mtp180 -54.6 -44.96 73.5 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.835 0.709 . . . . 72.3 110.671 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -67.9 -50.34 56.79 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.689 -0.687 . . . . 70.22 111.22 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 19.3 m -68.39 -36.98 79.94 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 111.711 0.263 . . . . 74.25 111.711 -173.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.607 ' SD ' HG22 ' B' ' 784' ' ' ILE . 20.0 ptm -70.54 -23.67 62.67 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.76 -0.376 . . . . 73.31 110.917 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 45.2 t -92.7 -57.1 2.77 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 116.402 -0.363 . . . . 71.34 110.097 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 59.7 m -67.46 -53.07 32.09 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.879 -0.601 . . . . 71.32 111.522 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.85 -41.31 21.19 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.541 -0.464 . . . . 74.21 111.487 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -52.2 -51.16 43.13 Favored Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.406 0.441 . . . . 74.31 113.812 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -75.15 -7.91 55.12 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.441 0.534 . . . . 75.12 112.441 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -96.57 -46.19 6.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.443 0.64 . . . . 72.25 109.729 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -70.14 -31.01 68.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.418 -0.81 . . . . 71.2 110.347 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 96.0 -22.73 37.91 Favored Glycine 0 C--O 1.238 0.369 0 N-CA-C 110.933 -0.867 . . . . 71.44 110.933 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 20.9 ptp -145.66 154.87 42.58 Favored 'General case' 0 N--CA 1.423 -1.818 0 N-CA-C 107.818 -1.178 . . . . 71.01 107.818 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.529 ' HA ' ' OD1' ' A' ' 646' ' ' ASN . 9.5 tt -110.4 130.21 64.09 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-O 121.64 0.733 . . . . 52.32 110.623 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -96.78 128.64 43.93 Favored 'General case' 0 C--N 1.281 -2.403 0 CA-C-N 114.838 -1.074 . . . . 61.3 108.913 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 678' ' ' LEU . 0.7 OUTLIER -130.19 126.14 36.69 Favored 'General case' 0 C--N 1.277 -2.573 0 CA-C-O 121.506 0.67 . . . . 64.24 111.194 177.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 644' ' ' ALA . 88.1 mt -107.41 120.82 59.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 CA-C-N 114.577 -1.192 . . . . 62.24 108.446 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.657 ' HB ' ' OD2' ' A' ' 640' ' ' ASP . 29.3 m -123.19 155.61 29.1 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.493 0 CA-C-N 115.126 -0.943 . . . . 73.42 110.234 -177.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -111.92 125.68 54.3 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.739 0.781 . . . . 71.31 111.624 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 637' ' ' ARG . 8.2 tpp180 -110.47 121.3 44.97 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.711 -1.131 . . . . 73.24 109.908 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.79 137.53 49.63 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.423 -0.808 . . . . 74.13 110.251 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.49 99.83 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 108.307 -0.997 . . . . 72.52 108.307 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 49.0 m -152.93 -162.17 1.44 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 105.406 -2.072 . . . . 63.03 105.406 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -62.24 -62.44 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.643 0.656 . . . . 74.14 110.39 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 71.5 m -157.31 -76.73 0.09 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.222 -0.658 . . . . 64.12 109.222 177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . 0.438 ' OD1' ' HD3' ' A' ' 637' ' ' ARG . 14.9 m120 -143.73 -59.84 0.4 Allowed 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.361 -0.836 . . . . 73.13 109.394 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.289 -0.868 . . . . 72.22 111.294 178.203 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 83.5 mtp . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 120.777 0.322 . . . . 64.41 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.64 112.93 4.32 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.836 -0.62 . . . . 74.03 109.752 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -156.2 99.38 1.93 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.06 0.457 . . . . 71.51 110.042 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -109.1 142.48 39.78 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 115.744 -0.662 . . . . 70.21 110.239 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -142.72 82.13 1.76 Allowed 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.735 0.778 . . . . 74.23 110.704 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -81.8 -41.44 21.11 Favored 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 106.631 -1.618 . . . . 72.24 106.631 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . 0.421 ' CA ' ' HD2' ' A' ' 611' ' ' LYS . . . 137.33 109.49 0.93 Allowed Glycine 1 N--CA 1.38 -5.087 0 C-N-CA 119.689 -1.243 . . . . 53.12 113.425 176.155 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 25.7 t -153.65 130.34 10.79 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 105.702 -1.962 . . . . 64.32 105.702 174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -75.2 137.16 72.1 Favored Pre-proline 0 C--N 1.301 -1.515 0 N-CA-C 109.517 -0.549 . . . . 75.51 109.517 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.45 -80.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.683 2.255 . . . . 54.5 113.901 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 173.28 102.14 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 123.621 0.768 . . . . 54.52 109.354 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.3 134.99 35.29 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.591 -0.892 . . . . 63.11 108.591 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 606' ' ' LYS . 26.8 mt-10 -141.08 131.92 25.89 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.785 0.834 . . . . 62.3 111.17 -177.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.691 HD22 ' HB3' ' A' ' 659' ' ' MET . 44.5 tp -134.78 133.4 39.81 Favored 'General case' 0 N--CA 1.412 -2.368 0 CA-C-N 115.566 -0.743 . . . . 71.2 110.248 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.2 mp -99.63 128.58 51.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 N-CA-C 108.395 -0.965 . . . . 65.03 108.395 172.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.607 HG22 ' SD ' ' A' ' 666' ' ' MET . 18.6 pt . . . . . 0 N--CA 1.418 -2.066 0 CA-C-N 116.867 -0.151 . . . . 63.31 110.954 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.764 0 N-CA-C 110.639 -0.984 . . . . 74.24 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 51.1 m -109.83 116.32 31.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 109.625 -0.509 . . . . 72.22 109.625 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -153.7 110.58 3.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 109.177 -0.675 . . . . 70.14 109.177 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -165.36 -134.56 1.68 Allowed Glycine 0 N--CA 1.429 -1.807 0 C-N-CA 120.515 -0.85 . . . . 61.55 112.231 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 12.4 m -91.67 -8.05 48.19 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.588 0.708 . . . . 71.21 110.059 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -141.08 153.21 45.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.08 -0.509 . . . . 72.02 110.997 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -122.45 156.63 33.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.922 -0.399 . . . . 63.44 109.922 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . 0.414 ' CE2' HG13 ' A' ' 643' ' ' ILE . 77.4 m-85 -97.09 137.65 35.82 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.475 0.917 . . . . 71.32 113.475 -174.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 96.5 mt -133.66 132.89 41.24 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 115.033 -0.985 . . . . 73.32 108.946 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 62.8 m -109.47 122.49 47.51 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 115.802 -0.635 . . . . 72.44 109.507 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -117.59 146.83 43.36 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.825 -0.435 . . . . 62.51 109.825 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.79 132.98 53.9 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 121.119 0.485 . . . . 75.11 110.491 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.518 ' HB ' HG23 ' A' ' 676' ' ' ILE . 61.7 t -125.18 117.79 25.4 Favored Pre-proline 0 C--N 1.282 -2.329 0 CA-C-N 115.503 -0.771 . . . . 65.24 108.979 -173.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.08 146.58 25.68 Favored 'Trans proline' 0 N--CA 1.435 -1.936 0 N-CA-C 109.072 -1.165 . . . . 63.31 109.072 173.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.52 73.51 5.07 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.944 0.878 . . . . 70.43 110.716 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -86.21 -89.25 0.12 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 114.606 -1.179 . . . . 74.12 112.799 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -88.75 -10.47 48.17 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 109.062 -0.718 . . . . 75.53 109.062 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 40.3 m -71.85 93.24 1.3 Allowed 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 122.23 1.014 . . . . 72.3 108.951 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 598' ' ' SER . . . -155.64 -29.96 0.03 OUTLIER Glycine 0 C--N 1.282 -2.451 0 N-CA-C 108.242 -1.943 . . . . 51.15 108.242 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 597' ' ' GLY . 14.4 m -68.44 -26.39 65.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.393 1.092 . . . . 62.23 108.426 173.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -137.58 -177.56 4.85 Favored 'General case' 0 N--CA 1.4 -2.941 0 N-CA-C 104.77 -2.307 . . . . 64.04 104.77 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -77.61 -55.91 4.06 Favored Glycine 0 C--N 1.274 -2.875 0 N-CA-C 109.412 -1.475 . . . . 72.23 109.412 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.661 HD21 HG21 ' A' ' 676' ' ' ILE . 21.5 mt -122.87 -43.63 2.23 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.975 -1.12 . . . . 75.11 107.975 174.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.612 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 110.14 47.84 0.8 Allowed Glycine 0 N--CA 1.399 -3.778 0 N-CA-C 109.253 -1.539 . . . . 51.32 109.253 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.9 t -138.47 152.5 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 107.547 -1.279 . . . . 61.33 107.547 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 21.5 m -109.97 132.85 53.78 Favored 'General case' 0 N--CA 1.416 -2.164 0 N-CA-C 107.741 -1.207 . . . . 71.23 107.741 174.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 621' ' ' VAL . 3.3 m -124.4 163.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.739 0.781 . . . . 73.0 111.283 175.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 781' ' ' GLU . 22.9 pttp -149.08 153.43 37.79 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 114.652 -1.158 . . . . 74.35 107.957 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -105.11 153.79 17.28 Favored Glycine 0 C--N 1.265 -3.415 0 C-N-CA 119.032 -1.556 . . . . 65.11 111.723 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' A' ' 608' ' ' ASN . 9.4 m120 -122.83 128.49 50.47 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.665 0.745 . . . . 64.12 109.939 176.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 45.5 ttp180 -129.43 125.79 37.31 Favored 'General case' 0 C--N 1.278 -2.504 0 N-CA-C 107.317 -1.364 . . . . 71.43 107.317 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 613' ' ' ASN . 20.6 m -81.78 104.02 11.87 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 109.026 -0.731 . . . . 71.42 109.026 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.414 ' HD3' ' HA3' ' B' ' 775' ' ' GLY . 81.4 mttt -66.62 -50.47 62.89 Favored 'General case' 0 C--N 1.288 -2.099 0 C-N-CA 124.863 1.265 . . . . 73.21 110.427 -177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.7 -29.32 67.74 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.446 -0.797 . . . . 74.24 111.574 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 610' ' ' SER . 27.3 t-20 -88.32 -26.02 22.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.96 -0.563 . . . . 62.3 110.606 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 48.6 m80 74.71 23.27 1.84 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.732 1.213 . . . . 74.03 113.209 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.08 164.99 25.8 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.59 -0.893 . . . . 64.13 108.59 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.538 ' CG ' ' HA ' ' A' ' 654' ' ' ALA . 3.8 m-20 -98.48 151.06 21.01 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.838 -1.171 . . . . 65.34 107.838 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.53 -23.29 20.96 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.3 -1.0 . . . . 74.22 108.3 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 117.57 -160.0 13.86 Favored Glycine 0 N--CA 1.436 -1.309 0 CA-C-N 114.754 -1.112 . . . . 61.44 110.884 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.415 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 49.4 mm -110.34 136.62 45.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 108.609 -0.886 . . . . 72.22 108.609 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 96.0 m-85 -125.2 145.99 49.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.886 0.374 . . . . 61.42 111.661 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.531 ' HA ' HG12 ' A' ' 605' ' ' VAL . 87.5 t -68.87 139.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.223 -0.658 . . . . 73.21 109.223 172.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -120.68 -37.14 3.05 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 116.025 -0.534 . . . . 60.12 112.115 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 36.4 t -148.64 136.78 21.0 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.757 -0.831 . . . . 74.41 108.757 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 624' ' ' ILE . 2.0 mp -100.26 127.5 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.76 0 N-CA-C 108.986 -0.746 . . . . 73.31 108.986 178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.612 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 73.9 mt -89.11 121.57 39.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 N-CA-C 107.741 -1.207 . . . . 72.33 107.741 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . 0.489 ' O ' ' HE3' ' A' ' 632' ' ' LYS . 3.8 p-10 -58.2 -21.47 47.77 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 112.503 0.557 . . . . 71.42 112.503 -176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 625' ' ' ILE . . . -96.95 67.15 0.89 Allowed Glycine 0 N--CA 1.428 -1.837 0 CA-C-N 115.864 -0.607 . . . . 71.34 111.749 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -158.62 142.87 8.75 Favored Glycine 0 N--CA 1.417 -2.58 0 C-N-CA 120.199 -1.0 . . . . 62.31 112.078 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.29 -29.69 70.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.956 0.407 . . . . 64.12 110.605 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.05 90.68 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 121.555 0.693 . . . . 71.12 109.542 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 635' ' ' ARG . 14.8 m -67.3 -42.9 82.94 Favored 'General case' 0 C--N 1.284 -2.259 0 CA-C-N 113.754 -1.566 . . . . 73.02 110.717 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 626' ' ' ASN . 34.0 mmtp -75.1 -51.56 13.18 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.052 -0.522 . . . . 71.15 112.386 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -78.96 -52.05 8.79 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.223 0.823 . . . . 63.32 113.223 -174.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -90.59 -16.72 54.5 Favored Glycine 0 C--O 1.243 0.711 0 C-N-CA 120.704 -0.76 . . . . 41.41 113.063 -174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 631' ' ' SER . 30.5 ttm180 66.79 -60.69 0.34 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.656 1.582 . . . . 72.03 113.716 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 95.1 mt 62.13 -173.63 0.14 Allowed 'General case' 0 C--O 1.252 1.202 0 C-N-CA 123.476 0.71 . . . . 72.32 110.399 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.46 HH11 ' CG ' ' A' ' 640' ' ' ASP . 0.6 OUTLIER -155.21 173.12 17.07 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 109.581 -0.525 . . . . 70.54 109.581 176.265 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 84.9 t -80.12 147.05 6.79 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 109.117 -0.697 . . . . 65.25 109.117 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 66.11 35.39 6.22 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.086 -1.45 . . . . 63.52 107.086 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.492 ' O ' ' HA ' ' A' ' 620' ' ' PHE . 25.9 t0 -94.35 130.4 40.68 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.233 -1.348 . . . . 75.24 108.911 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 681' ' ' ALA . 21.8 tp60 -86.09 110.39 19.5 Favored 'General case' 0 C--N 1.29 -2.008 0 O-C-N 123.413 0.446 . . . . 64.33 111.996 -172.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.4 HD11 HG23 ' A' ' 621' ' ' VAL . 7.3 mp -76.09 120.22 21.09 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 109.162 -0.681 . . . . 62.32 109.162 175.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.414 HG13 ' CE2' ' A' ' 586' ' ' PHE . 36.5 mm -102.2 -59.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 CA-C-N 115.503 -0.772 . . . . 72.33 111.098 -174.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -136.48 137.06 39.97 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.206 -0.906 . . . . 72.24 108.746 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.547 HG11 HD23 ' A' ' 662' ' ' LEU . 34.5 m -117.45 125.02 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-O 122.306 1.051 . . . . 74.21 112.124 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.441 ' OD1' ' HA ' ' A' ' 676' ' ' ILE . 42.5 t30 52.91 38.29 26.56 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 126.642 1.977 . . . . 62.14 113.135 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 97.68 -3.32 60.92 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-N 114.941 -1.027 . . . . 74.3 114.167 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.96 134.81 55.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 117.445 0.622 . . . . 61.53 111.299 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . 0.487 ' C ' HD12 ' A' ' 650' ' ' LEU . 48.4 m -83.24 144.76 29.54 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.473 0.916 . . . . 52.33 113.473 -175.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.513 HD11 HG22 ' A' ' 645' ' ' VAL . 6.8 mp -124.92 19.63 8.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.722 -0.672 . . . . 73.54 110.604 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.38 96.69 5.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 112.546 0.573 . . . . 65.43 112.546 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.86 -30.9 3.16 Favored Glycine 0 N--CA 1.431 -1.681 0 C-N-CA 120.271 -0.966 . . . . 71.03 112.869 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -73.49 154.14 40.04 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 120.769 0.319 . . . . 74.12 111.163 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.538 ' HA ' ' CG ' ' A' ' 616' ' ' ASP . . . -66.2 161.93 21.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.784 -0.644 . . . . 61.44 111.988 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.85 -48.3 51.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 123.589 0.556 . . . . 71.22 112.283 -178.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 9.1 pt20 -68.45 -38.58 81.24 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.879 -0.6 . . . . 71.3 112.594 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 18.5 mm-40 -64.36 -39.43 93.87 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.264 -1.013 . . . . 75.45 108.264 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.58 79.73 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.222 -1.354 . . . . 73.31 110.098 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 62.8 mtt -60.48 -40.47 91.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.281 0.475 . . . . 75.35 112.281 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 656' ' ' GLN . 23.4 mm-40 -62.96 -44.97 94.61 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.907 0.384 . . . . 71.05 110.467 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 85.1 m -66.43 -43.59 85.25 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 109.014 -0.736 . . . . 73.32 109.014 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.547 HD23 HG11 ' A' ' 645' ' ' VAL . 0.7 OUTLIER -59.09 -56.01 27.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-N 115.063 -0.971 . . . . 74.44 112.375 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.41 ' N ' HD13 ' A' ' 662' ' ' LEU . 82.1 mtp180 -58.98 -42.3 89.63 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.267 0.556 . . . . 74.53 110.786 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -67.98 -50.45 55.62 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 115.104 -0.953 . . . . 73.25 111.769 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 669' ' ' GLU . 25.2 m -77.09 -29.02 54.75 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.73 -0.606 . . . . 71.11 111.564 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -75.65 -27.91 58.56 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.778 -0.769 . . . . 62.1 110.599 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 23.3 t -93.03 -56.23 3.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.432 -0.349 . . . . 74.43 110.448 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 86.4 m -64.77 -56.09 15.73 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.472 -0.331 . . . . 64.14 111.362 -175.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 665' ' ' SER . 39.7 mm-40 -74.3 -23.22 59.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.192 0.52 . . . . 54.24 110.24 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -63.49 -55.3 26.24 Favored Glycine 0 CA--C 1.498 -0.996 0 N-CA-C 111.114 -0.794 . . . . 64.34 111.114 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.2 -26.93 62.25 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.806 0.336 . . . . 70.42 110.527 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -57.11 -56.06 26.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.487 0.715 . . . . 72.23 110.005 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . 0.455 HH12 ' HB2' ' A' ' 677' ' ' GLN . 71.0 mtp180 -76.4 -39.92 52.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.477 0.656 . . . . 73.04 109.815 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.97 43.26 Favored Glycine 0 C--N 1.309 -0.942 0 N-CA-C 109.511 -1.436 . . . . 71.51 109.511 -175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 22.6 ptm -144.86 153.37 41.52 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.497 -0.851 . . . . 62.32 108.821 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.661 HG21 HD21 ' A' ' 601' ' ' LEU . 10.9 tt -115.28 144.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 CA-C-N 115.421 -0.809 . . . . 54.1 111.009 -176.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . 0.455 ' HB2' HH12 ' A' ' 673' ' ' ARG . 35.1 tt0 -108.87 138.7 44.79 Favored 'General case' 0 C--O 1.196 -1.729 0 N-CA-C 109.35 -0.611 . . . . 65.3 109.35 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -128.47 123.07 32.7 Favored 'General case' 0 C--N 1.287 -2.148 0 O-C-N 121.626 -0.671 . . . . 62.22 109.49 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 679' ' ' ILE . 2.5 mp -106.08 115.92 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.69 0 N-CA-C 106.547 -1.649 . . . . 64.24 106.547 173.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.4 m -123.03 152.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.736 0 N-CA-C 109.015 -0.735 . . . . 65.03 109.015 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 641' ' ' GLN . . . -111.67 126.02 54.58 Favored 'General case' 0 C--N 1.271 -2.819 0 N-CA-C 106.649 -1.611 . . . . 64.21 106.649 177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -107.77 129.03 55.08 Favored 'General case' 0 N--CA 1.411 -2.381 0 C-N-CA 118.838 -1.145 . . . . 72.43 108.485 -176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.11 122.65 21.34 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.662 -1.154 . . . . 73.11 108.927 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 61.0 mt -82.59 -38.0 14.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-O 121.872 0.844 . . . . 74.43 109.147 -176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 14.3 t -99.11 108.63 21.31 Favored 'General case' 0 C--N 1.274 -2.688 0 CA-C-N 114.67 -1.15 . . . . 72.53 108.637 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -136.95 28.8 2.86 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.504 -1.295 . . . . 75.03 107.504 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.18 124.22 22.48 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 113.891 -1.504 . . . . 72.0 111.043 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 68.66 87.68 0.12 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.279 1.032 . . . . 71.12 110.7 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 N-CA-C 107.663 -1.236 . . . . 65.33 107.663 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.81 0.338 . . . . 60.51 110.553 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . 0.534 ' O ' HD12 ' B' ' 770' ' ' LEU . 2.6 pp -147.58 115.22 6.37 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 121.687 0.756 . . . . 75.43 112.675 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -149.97 5.74 0.58 Allowed 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.411 -0.813 . . . . 72.24 109.834 176.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.64 158.99 30.64 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.099 -0.955 . . . . 62.53 113.283 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . 0.474 ' O ' HD12 ' B' ' 773' ' ' LEU . 2.9 pp 178.63 135.64 0.09 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.428 1.491 . . . . 52.23 110.662 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -107.43 -3.57 19.39 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 106.958 -1.497 . . . . 65.13 106.958 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . 0.414 ' HA3' ' HD3' ' A' ' 611' ' ' LYS . . . 159.63 170.19 23.89 Favored Glycine 0 N--CA 1.396 -3.979 0 CA-C-N 113.318 -1.764 . . . . 65.11 108.805 178.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . 0.446 ' O ' ' HD3' ' B' ' 778' ' ' PRO . 37.1 m -91.31 96.26 10.45 Favored 'General case' 0 C--N 1.283 -2.319 0 N-CA-C 107.478 -1.304 . . . . 63.55 107.478 175.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.38 111.2 54.4 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 114.954 -1.021 . . . . 64.35 112.623 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' B' ' 776' ' ' SER . 2.7 Cg_endo -88.76 -4.72 6.24 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 122.193 1.928 . . . . 64.52 109.417 170.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 59.82 81.45 0.17 Allowed 'General case' 0 C--N 1.351 0.67 0 C-N-CA 124.864 1.266 . . . . 73.42 108.28 -174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.65 98.39 11.4 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-O 121.96 0.886 . . . . 35.31 113.212 -171.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 606' ' ' LYS . 25.6 mt-10 -128.46 147.3 50.66 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 125.437 1.495 . . . . 72.25 109.745 176.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 663' ' ' ARG . 0.2 OUTLIER -146.41 134.58 21.65 Favored 'General case' 0 N--CA 1.423 -1.822 0 N-CA-C 107.091 -1.448 . . . . 73.24 107.091 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . 0.404 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.5 mp -109.29 125.43 66.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 108.787 -0.82 . . . . 55.22 108.787 177.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.488 ' CG2' HD11 ' A' ' 662' ' ' LEU . 12.2 pt . . . . . 0 N--CA 1.391 -3.406 0 N-CA-C 107.419 -1.326 . . . . 62.35 107.419 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.709 0 N-CA-C 109.646 -1.382 . . . . 50.11 109.646 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 44.5 m -80.55 92.62 5.95 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 107.615 -1.254 . . . . 71.21 107.615 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -128.3 -177.29 4.1 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.601 -0.727 . . . . 61.54 109.616 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -154.75 36.73 0.67 Allowed Glycine 0 N--CA 1.422 -2.241 0 N-CA-C 111.565 -0.614 . . . . 74.42 111.565 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 10.0 t -88.98 -25.86 21.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.095 0.474 . . . . 73.23 109.769 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -146.05 141.83 28.0 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 108.65 -0.87 . . . . 74.53 108.65 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -110.5 134.32 52.47 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 120.634 0.254 . . . . 55.35 111.04 -176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -95.8 121.73 37.84 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.97 -0.559 . . . . 71.2 109.723 175.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 6.4 mp -121.91 147.24 46.26 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.642 -0.503 . . . . 53.4 109.642 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 56.6 m -114.24 121.37 43.51 Favored 'General case' 0 N--CA 1.407 -2.578 0 N-CA-C 108.91 -0.774 . . . . 75.4 108.91 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -104.89 129.81 53.17 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.095 -0.706 . . . . 63.54 109.095 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -111.93 123.41 50.2 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 108.149 -1.056 . . . . 75.52 108.149 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.494 ' HB ' HG23 ' A' ' 676' ' ' ILE . 79.2 t -122.24 116.97 29.54 Favored Pre-proline 0 C--N 1.279 -2.477 0 CA-C-N 115.257 -0.883 . . . . 75.4 110.109 -171.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 58.4 Cg_endo -77.38 142.4 21.1 Favored 'Trans proline' 0 N--CA 1.428 -2.346 0 C-N-CA 121.141 1.227 . . . . 75.42 109.632 174.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -78.38 78.5 4.85 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.472 0.653 . . . . 74.11 109.42 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -89.54 -92.92 0.12 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.962 -1.017 . . . . 75.53 110.858 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -113.6 93.05 4.21 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 107.534 -1.284 . . . . 73.13 107.534 175.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.27 41.24 0.32 Allowed 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 105.613 -1.995 . . . . 75.11 105.613 -175.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.87 -28.76 33.77 Favored Glycine 0 C--N 1.29 -2.023 0 CA-C-N 113.46 -1.7 . . . . 55.4 111.274 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 46.3 p -71.69 -33.0 68.44 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.982 0.896 . . . . 71.14 110.268 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.405 ' HB1' ' HA2' ' A' ' 602' ' ' GLY . . . -150.62 119.94 6.85 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.779 -1.563 . . . . 60.03 106.779 175.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -44.4 -49.35 8.4 Favored Glycine 0 N--CA 1.478 1.497 0 O-C-N 124.653 1.221 . . . . 60.14 113.624 -173.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.596 HD13 ' HE3' ' A' ' 666' ' ' MET . 9.8 mp -122.8 -32.6 3.51 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.407 0.623 . . . . 65.14 109.824 171.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.405 ' HA2' ' HB1' ' A' ' 599' ' ' ALA . . . 92.62 41.21 4.81 Favored Glycine 0 N--CA 1.4 -3.723 0 CA-C-N 114.569 -1.196 . . . . 71.35 111.412 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 12.8 t -127.73 151.54 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 N-CA-C 106.772 -1.566 . . . . 64.53 106.772 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.2 m -116.73 133.52 55.91 Favored 'General case' 0 N--CA 1.406 -2.634 0 N-CA-C 107.719 -1.215 . . . . 71.2 107.719 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.502 HG11 ' CD2' ' A' ' 642' ' ' LEU . 3.3 m -125.88 161.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.653 0 CA-C-N 115.841 -0.618 . . . . 60.11 112.037 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -150.88 154.3 36.95 Favored 'General case' 0 C--N 1.278 -2.523 0 CA-C-N 115.119 -0.946 . . . . 62.43 108.868 174.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -103.87 129.66 9.95 Favored Glycine 0 C--N 1.292 -1.89 0 C-N-CA 118.583 -1.77 . . . . 52.13 111.634 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -95.6 141.69 28.8 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.894 -0.78 . . . . 71.11 108.894 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.501 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 59.2 ttp180 -134.12 134.91 42.78 Favored 'General case' 0 N--CA 1.417 -2.075 0 N-CA-C 107.823 -1.177 . . . . 72.44 107.823 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.504 ' CB ' ' HB3' ' A' ' 613' ' ' ASN . 21.8 m -68.31 127.34 32.58 Favored 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 108.464 -0.939 . . . . 65.45 108.464 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' B' ' 775' ' ' GLY . 60.9 tttp -66.31 -69.45 0.3 Allowed 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 112.44 0.533 . . . . 71.14 112.44 -175.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.33 -17.68 56.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.022 0.439 . . . . 63.22 112.142 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.504 ' HB3' ' CB ' ' A' ' 610' ' ' SER . 47.9 t30 -84.63 -26.85 27.57 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.645 -0.502 . . . . 63.35 109.645 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 36.5 m80 65.88 9.89 6.45 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.144 1.165 . . . . 73.25 114.144 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -102.43 148.82 25.03 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.473 -0.936 . . . . 62.12 108.473 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.4 p-10 -84.71 151.07 24.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.844 -0.428 . . . . 73.51 109.844 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 89.3 mt -99.56 -11.1 21.3 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.679 -0.86 . . . . 70.44 108.679 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 106.69 -165.2 13.38 Favored Glycine 0 C--N 1.308 -0.998 0 CA-C-N 115.087 -0.961 . . . . 74.3 112.676 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.427 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 47.9 mm -103.21 126.86 57.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 109.199 -0.667 . . . . 71.51 109.199 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -128.3 153.71 46.7 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.031 0.443 . . . . 74.4 110.616 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 605' ' ' VAL . 58.3 t -68.77 138.27 22.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 115.569 -0.741 . . . . 55.21 110.01 174.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -107.79 -45.58 3.98 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 115.823 -0.626 . . . . 74.54 110.288 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 43.0 p -149.07 144.92 26.98 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 116.16 -0.473 . . . . 75.51 110.249 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 624' ' ' ILE . 1.9 mp -99.41 129.64 49.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.004 -0.739 . . . . 70.41 109.004 176.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 74.7 mt -87.35 125.79 41.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 108.557 -0.905 . . . . 42.4 108.557 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -86.24 82.02 8.18 Favored 'General case' 0 C--N 1.292 -1.891 0 C-N-CA 120.341 -0.544 . . . . 62.43 109.614 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 167.08 33.32 0.02 OUTLIER Glycine 0 C--N 1.315 -0.607 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.509 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -137.53 156.21 23.44 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.847 -0.901 . . . . 72.21 110.847 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.37 95.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.941 0.37 . . . . 73.23 111.765 -176.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 601' ' ' LEU . . . -65.48 -36.27 83.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.508 0.671 . . . . 53.01 109.892 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 42.0 t -64.68 -48.32 75.18 Favored 'General case' 0 N--CA 1.417 -2.104 0 CA-C-N 114.058 -1.428 . . . . 54.12 110.173 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -74.38 -51.07 16.12 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.898 0.703 . . . . 72.34 112.898 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.84 -48.85 15.5 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 119.721 -0.792 . . . . 72.22 112.084 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -76.35 -42.84 21.96 Favored Glycine 0 N--CA 1.434 -1.44 0 C-N-CA 120.837 -0.697 . . . . 51.41 113.74 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 60.32 82.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.326 0.584 . . . . 55.5 111.161 -176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.4 166.65 20.23 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.972 -0.558 . . . . 75.12 110.711 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 637' ' ' ARG . 1.7 mpt_? -107.88 167.27 10.1 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 107.733 -1.21 . . . . 64.34 107.733 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.13 139.02 18.07 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.75 0 N-CA-C 107.911 -1.144 . . . . 72.23 107.911 174.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 66.3 t30 66.71 26.21 9.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.491 1.116 . . . . 72.25 109.637 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.33 142.1 32.31 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.541 -1.209 . . . . 72.24 108.035 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -88.32 117.32 27.16 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 123.029 0.532 . . . . 73.44 111.77 -172.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.502 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.3 mp -81.29 131.41 35.29 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.574 -0.528 . . . . 65.12 109.574 176.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 651' ' ' LEU . 42.9 mm -113.51 -57.01 4.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 CA-C-O 121.513 0.673 . . . . 72.53 111.584 -173.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 679' ' ' ILE . . . -140.95 150.28 42.92 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 115.622 -0.717 . . . . 71.55 109.559 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.407 HG12 HD22 ' A' ' 650' ' ' LEU . 11.5 p -140.14 137.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 121.096 0.474 . . . . 63.21 111.937 -177.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 61.53 14.67 6.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.941 1.696 . . . . 54.4 111.189 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 102.2 -5.7 52.87 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.692 -0.766 . . . . 71.31 112.022 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -108.0 132.54 53.42 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.097 0.475 . . . . 61.32 110.531 178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 43.4 m -90.28 138.77 31.26 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.339 -0.392 . . . . 55.14 110.008 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 650' ' ' LEU . 1.4 pt? -129.25 10.44 5.79 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.196 0.522 . . . . 74.53 110.681 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.458 HD22 HG23 ' A' ' 643' ' ' ILE . 54.5 tp -73.64 93.1 2.02 Favored 'General case' 0 N--CA 1.427 -1.581 0 CA-C-N 115.435 -0.802 . . . . 70.15 109.687 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 154.32 -25.86 0.68 Allowed Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.496 -0.859 . . . . 64.32 112.312 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -84.66 167.28 16.34 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.661 -0.415 . . . . 74.54 110.123 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' A' ' 657' ' ' GLU . . . -67.94 164.47 19.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.852 -0.158 . . . . 62.13 110.757 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.665 ' O ' ' HG3' ' A' ' 659' ' ' MET . 94.6 m-20 -59.28 -49.02 79.44 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.006 0.743 . . . . 64.5 113.006 -174.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.05 -34.85 78.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.23 0.538 . . . . 74.33 110.483 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 654' ' ' ALA . 24.0 mm-40 -66.35 -48.38 70.38 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.155 -0.929 . . . . 73.2 108.616 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.24 94.26 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 114.72 -1.127 . . . . 73.51 111.255 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 80.7 mtp -64.63 -38.04 89.63 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 116.65 -0.25 . . . . 73.24 110.973 -178.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.07 -44.61 75.93 Favored 'General case' 0 N--CA 1.424 -1.772 0 N-CA-C 108.946 -0.761 . . . . 74.12 108.946 177.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 96.7 m -58.26 -41.7 84.86 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.387 0.613 . . . . 74.25 109.956 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 666' ' ' MET . 43.6 tp -66.6 -56.79 9.11 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.856 -1.066 . . . . 73.45 112.674 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 659' ' ' MET . 15.4 ptm180 -63.99 -33.05 74.85 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.048 0.451 . . . . 71.41 111.151 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -65.35 -50.88 63.92 Favored 'General case' 0 C--O 1.198 -1.622 0 CA-C-N 115.792 -0.64 . . . . 75.23 111.255 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 35.8 p -75.59 -36.35 60.36 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.832 -0.747 . . . . 61.23 111.704 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.596 ' HE3' HD13 ' A' ' 601' ' ' LEU . 3.4 ppp? -70.59 -26.87 63.72 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.214 -0.594 . . . . 64.14 111.584 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 40.3 t -93.03 -55.99 3.14 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 116.422 -0.354 . . . . 72.12 110.768 177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 96.7 m -66.42 -43.72 84.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 112.534 0.568 . . . . 70.13 112.534 -175.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -100.34 -5.42 27.38 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.617 -0.433 . . . . 63.11 110.991 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -66.75 -68.33 1.7 Allowed Glycine 0 C--O 1.251 1.184 0 N-CA-C 109.522 -1.431 . . . . 72.1 109.522 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -81.73 70.19 8.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 122.712 1.244 . . . . 54.43 109.794 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -164.1 -39.29 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 113.609 -1.632 . . . . 64.24 108.481 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . 0.565 ' NE ' ' HA ' ' A' ' 673' ' ' ARG . 3.9 mmp_? -98.21 -9.97 24.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.709 -0.678 . . . . 63.34 111.068 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 84.73 -38.18 2.94 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 121.047 -0.597 . . . . 44.31 111.705 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.423 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 22.6 ptm -133.83 141.76 47.57 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 109.544 -0.539 . . . . 73.51 109.544 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.562 HD13 HD11 ' A' ' 601' ' ' LEU . 9.5 tt -111.34 138.34 40.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 CA-C-N 115.145 -0.934 . . . . 54.11 110.459 -177.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -103.85 138.12 40.88 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 115.622 -0.717 . . . . 71.03 110.658 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 601' ' ' LEU . 1.6 mm? -129.32 131.99 47.03 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.423 -0.584 . . . . 74.44 109.423 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 644' ' ' ALA . 90.7 mt -119.45 116.73 51.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 108.893 -0.78 . . . . 64.2 108.893 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.8 158.9 37.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 114.639 -1.164 . . . . 64.14 109.883 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -118.24 124.49 48.0 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.055 -0.72 . . . . 63.01 109.055 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.45 ' O ' ' HD2' ' A' ' 682' ' ' ARG . 2.7 ppt_? -109.84 121.7 45.84 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 109.073 -0.714 . . . . 71.25 109.073 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -85.31 140.97 30.39 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-N 115.409 -0.814 . . . . 75.14 111.816 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.2 mm -82.8 104.01 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.651 0 N-CA-C 105.793 -1.929 . . . . 63.51 105.793 174.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 43.4 t -151.18 108.61 3.62 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 121.482 0.658 . . . . 75.14 111.034 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -104.12 -5.12 22.34 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.495 -1.298 . . . . 74.22 107.495 174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.08 -15.5 55.8 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.556 -1.202 . . . . 44.51 109.444 174.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -165.27 94.3 0.63 Allowed 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 106.552 -1.647 . . . . 71.21 106.552 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 115.749 -0.66 . . . . 55.25 110.103 -177.105 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.241 0.629 0 CA-C-O 121.676 0.75 . . . . 74.24 110.348 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 2.4 pp -138.61 152.69 48.35 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.468 -0.787 . . . . 73.41 111.395 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.16 81.78 2.01 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.35 0.595 . . . . 75.01 109.766 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -95.23 103.55 15.41 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.45 -0.796 . . . . 75.13 109.878 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 96.1 mt -147.38 129.0 15.09 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.09 -0.959 . . . . 65.1 109.499 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -144.51 88.73 1.95 Allowed 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 122.103 0.954 . . . . 75.24 108.494 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . 0.491 ' O ' ' HD2' ' A' ' 611' ' ' LYS . . . 153.82 -108.32 0.36 Allowed Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.123 -1.991 . . . . 32.42 108.123 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 13.9 m 62.59 103.02 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 113.647 0.98 . . . . 64.14 113.647 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' B' ' 779' ' ' GLN . 5.1 p-10 -79.11 175.95 4.22 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 106.214 -1.772 . . . . 75.42 106.214 171.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.67 -24.65 38.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.785 1.657 . . . . 60.04 112.575 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 777' ' ' ASP . 48.7 mt-30 61.35 19.87 10.58 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 124.303 1.041 . . . . 54.14 111.128 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -83.27 105.95 14.65 Favored 'General case' 0 CA--C 1.465 -2.293 0 CA-C-N 114.619 -1.173 . . . . 61.54 108.948 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -105.85 140.98 38.04 Favored 'General case' 0 C--N 1.263 -3.155 0 CA-C-N 113.748 -1.569 . . . . 72.12 109.939 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.486 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.3 tm? -138.83 130.63 27.74 Favored 'General case' 0 N--CA 1.405 -2.719 0 N-CA-C 108.135 -1.061 . . . . 64.12 108.135 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -101.2 132.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 N-CA-C 109.292 -0.633 . . . . 71.42 109.292 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' B' ' 782' ' ' LEU . 25.0 pt . . . . . 0 N--CA 1.409 -2.488 0 CA-C-O 118.555 -0.736 . . . . 54.1 109.041 176.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.287 0 N-CA-C 110.369 -1.092 . . . . 45.02 110.369 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 42.9 m 54.65 32.77 17.87 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.513 0.673 . . . . 73.41 109.852 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.09 -33.63 71.05 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 114.687 -1.142 . . . . 64.13 111.219 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -177.44 -175.8 44.98 Favored Glycine 0 N--CA 1.416 -2.685 0 C-N-CA 120.358 -0.925 . . . . 32.25 112.051 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 20.8 m -101.77 21.3 14.75 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.723 -1.214 . . . . 73.21 107.723 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -126.62 152.33 46.81 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.456 -0.793 . . . . 72.01 109.982 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 681' ' ' ALA . 11.1 pt-20 -126.13 163.28 23.46 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.56 -0.904 . . . . 74.53 108.56 175.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -105.01 136.99 43.45 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 112.116 0.413 . . . . 71.42 112.116 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.8 mp -127.36 142.29 51.47 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.766 -0.828 . . . . 64.54 108.766 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 91.4 m -110.05 122.64 48.07 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.989 -0.55 . . . . 54.42 109.845 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.79 142.08 50.57 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.401 -0.592 . . . . 74.41 109.401 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -122.25 132.19 54.3 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.308 0.575 . . . . 72.12 109.891 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.438 ' HB ' HG23 ' A' ' 676' ' ' ILE . 71.5 t -121.15 117.57 30.59 Favored Pre-proline 0 C--N 1.285 -2.219 0 CA-C-N 115.175 -0.921 . . . . 64.5 109.205 -173.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.44 147.87 23.04 Favored 'Trans proline' 0 N--CA 1.434 -1.984 0 C-N-CA 121.278 1.319 . . . . 75.11 111.177 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . 0.414 ' HA ' ' OG ' ' A' ' 596' ' ' SER . 3.7 mm? -74.87 77.54 2.13 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.777 0.799 . . . . 72.44 110.124 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -108.68 -74.71 0.65 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.362 -1.29 . . . . 55.44 110.653 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.88 29.81 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.231 1.015 . . . . 73.13 110.75 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 593' ' ' LEU . 22.6 m -74.73 -5.01 40.86 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 114.252 -1.34 . . . . 73.51 112.387 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.27 -20.71 60.04 Favored Glycine 0 N--CA 1.419 -2.474 0 C-N-CA 120.063 -1.065 . . . . 74.33 110.505 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 50.8 m -76.12 -25.42 55.37 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.242 0.544 . . . . 63.4 110.257 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . . . . . . . . . . . -165.97 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.909 -1.041 . . . . 63.24 109.638 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . 171.55 -67.78 0.13 Allowed Glycine 0 C--N 1.293 -1.819 0 N-CA-C 107.737 -2.145 . . . . 74.5 107.737 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 630' ' ' ALA . 7.7 mp -109.37 -37.5 5.73 Favored 'General case' 0 C--N 1.282 -2.357 0 N-CA-C 108.075 -1.083 . . . . 72.11 108.075 171.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . . . . . . . . . . . 92.77 46.24 3.46 Favored Glycine 0 N--CA 1.405 -3.415 0 CA-C-N 114.365 -1.289 . . . . 44.05 110.136 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 17.7 t -133.95 152.5 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.281 0 N-CA-C 106.735 -1.58 . . . . 74.32 106.735 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.73 ' HB3' ' HE3' ' A' ' 622' ' ' LYS . 18.8 m -121.03 130.64 53.87 Favored 'General case' 0 N--CA 1.397 -3.11 0 N-CA-C 108.148 -1.056 . . . . 74.41 108.148 173.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 621' ' ' VAL . 4.5 m -123.43 156.96 29.75 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.481 0 CA-C-N 115.781 -0.645 . . . . 63.22 110.935 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -149.74 153.83 37.52 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.896 -0.779 . . . . 65.42 108.896 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . . . . . . . . . . . -104.29 156.58 17.26 Favored Glycine 0 N--CA 1.421 -2.335 0 C-N-CA 119.386 -1.388 . . . . 52.33 111.502 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -123.13 147.13 47.13 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.57 -0.53 . . . . 54.1 109.57 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 616' ' ' ASP . 2.2 tmm_? -127.21 125.71 41.52 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.093 -1.077 . . . . 73.31 108.093 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . 0.541 ' OG ' ' HB3' ' A' ' 613' ' ' ASN . 64.4 p -77.23 130.92 37.89 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.176 0.436 . . . . 74.54 112.176 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -79.34 -37.34 37.74 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.254 0.549 . . . . 71.42 111.845 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 612' ' ' GLU . 0.0 OUTLIER -97.36 -32.72 11.73 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 116.214 -0.448 . . . . 60.31 110.958 -175.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . 0.541 ' HB3' ' OG ' ' A' ' 610' ' ' SER . 27.9 t-20 -76.92 -24.0 52.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.041 0.448 . . . . 54.33 109.861 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 44.7 m80 69.35 22.73 6.44 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.469 1.108 . . . . 75.44 112.915 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -133.2 171.36 14.12 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.962 -0.755 . . . . 73.31 108.962 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' A' ' 609' ' ' ARG . 5.9 p-10 -91.36 144.96 25.05 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.896 -1.122 . . . . 50.53 108.582 174.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 93.0 mt -88.82 -2.68 58.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.418 0.628 . . . . 62.33 110.163 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 100.54 -161.16 18.88 Favored Glycine 0 C--N 1.294 -1.783 0 CA-C-N 115.287 -0.869 . . . . 35.24 111.633 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.67 130.62 66.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.485 -0.932 . . . . 51.44 108.485 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -125.96 149.13 49.01 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.657 0.265 . . . . 62.51 111.198 -177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.528 ' HA ' HG12 ' A' ' 605' ' ' VAL . 92.7 t -68.48 132.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.059 -0.719 . . . . 73.4 109.059 171.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.73 ' HE3' ' HB3' ' A' ' 604' ' ' SER . 14.0 pttp -109.35 -38.56 5.45 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 108.985 -0.746 . . . . 72.43 108.985 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 30.2 p -149.74 143.92 25.73 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 115.724 -0.671 . . . . 71.31 110.461 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.5 139.76 21.88 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 N-CA-C 108.658 -0.867 . . . . 63.23 108.658 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . . . . . . . . . 84.2 mt -95.64 113.25 29.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 N-CA-C 108.653 -0.869 . . . . 73.21 108.653 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -63.62 118.41 8.19 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 115.439 -0.8 . . . . 73.52 111.533 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 113.07 -13.93 23.86 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.49 -0.777 . . . . 31.45 111.303 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -66.32 152.66 52.19 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 121.219 -0.515 . . . . 64.31 112.311 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -67.58 -34.18 76.51 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.765 0.317 . . . . 54.43 110.912 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -70.91 -26.6 63.29 Favored 'General case' 0 CA--C 1.491 -1.299 0 CA-C-O 121.334 0.588 . . . . 74.34 110.198 178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 48.1 t -74.13 -52.27 13.07 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 114.847 -1.07 . . . . 75.45 109.184 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -73.15 -51.32 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.002 0.741 . . . . 71.43 113.002 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.04 -51.03 9.54 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.029 -0.668 . . . . 52.43 110.486 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -71.53 -42.73 54.86 Favored Glycine 0 CA--C 1.517 0.17 0 CA-C-N 115.261 -0.881 . . . . 41.24 114.22 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 635' ' ' ARG . 1.3 mmp_? 68.87 33.39 3.61 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.955 0.502 . . . . 74.53 111.654 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 170.82 5.11 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 112.214 0.45 . . . . 72.15 112.214 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 640' ' ' ASP . 0.0 OUTLIER -135.25 175.56 9.48 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 113.359 0.874 . . . . 72.12 113.359 -173.528 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 77.4 t -79.06 149.33 5.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.62 -0.881 . . . . 74.5 108.62 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.64 11.33 6.43 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.383 1.087 . . . . 75.01 109.103 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' ' 637' ' ' ARG . 13.6 t0 -69.34 121.43 16.89 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 114.43 -1.259 . . . . 72.34 107.88 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -81.57 111.01 17.48 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 122.957 0.503 . . . . 74.13 111.354 -176.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.476 HD21 HG11 ' A' ' 605' ' ' VAL . 8.0 mp -76.75 122.6 24.97 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.897 0.38 . . . . 62.01 110.406 177.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.36 -52.58 6.9 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.209 0 CA-C-N 115.388 -0.824 . . . . 75.1 109.993 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.23 148.13 42.68 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.395 -0.366 . . . . 31.21 110.313 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.48 HG23 ' CD1' ' A' ' 678' ' ' LEU . 14.9 p -134.01 126.81 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-O 121.624 0.726 . . . . 60.22 111.385 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 54.06 34.09 19.12 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 126.089 1.756 . . . . 71.31 110.282 177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.62 58.4 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.628 -0.796 . . . . 72.22 113.77 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -94.72 144.86 25.28 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 117.715 0.758 . . . . 72.44 109.598 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 23.1 t -91.31 141.51 28.7 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.566 0.698 . . . . 73.01 111.767 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.67 -167.42 1.29 Allowed 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 106.142 -1.799 . . . . 35.31 106.142 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 6.2 tt 71.78 -46.23 0.64 Allowed 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.556 0.742 . . . . 73.11 112.284 176.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -71.05 -7.32 62.32 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 110.961 -0.855 . . . . 52.35 110.961 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -122.47 152.1 40.63 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 107.097 -1.446 . . . . 73.44 107.097 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -63.85 166.07 7.79 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.416 0.525 . . . . 45.44 112.416 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.32 -47.61 47.04 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.81 0.844 . . . . 74.14 112.581 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' A' ' 656' ' ' GLN . 0.0 OUTLIER -60.9 -47.64 85.48 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.331 -0.849 . . . . 72.04 109.203 -177.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -66.37 -40.79 89.96 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.964 -1.471 . . . . 63.04 110.008 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.36 -51.18 68.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 114.981 -1.009 . . . . 54.31 110.957 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.457 ' SD ' HD23 ' B' ' 782' ' ' LEU . 61.9 mtt -61.8 -37.17 83.38 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 112.279 0.474 . . . . 73.14 112.279 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.15 -47.76 81.32 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 109.428 -0.582 . . . . 75.01 109.428 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 89.4 m -64.21 -45.18 89.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.474 -0.785 . . . . 62.14 109.358 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.448 ' HA ' HG11 ' A' ' 645' ' ' VAL . 1.1 tm? -55.56 -55.33 33.24 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.437 -1.256 . . . . 74.54 111.459 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.48 ' HD2' HD21 ' B' ' 782' ' ' LEU . 81.8 mtp180 -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.861 0.362 . . . . 64.52 110.822 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -61.91 -51.59 67.53 Favored 'General case' 0 C--O 1.206 -1.188 0 CA-C-N 115.412 -0.813 . . . . 63.43 110.247 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 59.7 m -78.22 -30.29 48.77 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 112.643 0.608 . . . . 72.44 112.643 -174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.403 ' HA ' HD12 ' A' ' 676' ' ' ILE . 3.9 ppp? -74.96 -30.24 61.15 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.537 -0.865 . . . . 65.0 110.637 -177.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 16.4 t -92.92 -54.47 3.73 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 116.25 -0.432 . . . . 53.3 110.315 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 75.1 m -67.95 -57.14 6.69 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.963 0.411 . . . . 71.53 111.224 -175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.05 -18.72 38.69 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.023 -0.535 . . . . 74.23 111.153 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -67.42 -54.44 19.85 Favored Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 111.354 -0.698 . . . . 74.43 111.354 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -71.96 -12.54 61.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.094 0.473 . . . . 75.5 111.641 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -82.22 -50.39 9.04 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 116.41 -0.359 . . . . 74.32 110.178 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -82.45 -10.16 59.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.001 0.741 . . . . 70.05 113.001 -176.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 88.14 -29.83 5.41 Favored Glycine 0 C--O 1.243 0.713 0 C-N-CA 120.362 -0.923 . . . . 71.33 112.409 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.54 157.18 46.25 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.069 -0.715 . . . . 73.11 109.069 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.438 HG23 ' HB ' ' A' ' 591' ' ' VAL . 10.1 tt -116.98 138.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 CA-C-N 115.473 -0.785 . . . . 74.04 110.144 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.23 137.7 42.59 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.914 -0.585 . . . . 61.53 110.085 -177.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 645' ' ' VAL . 1.2 mm? -130.41 130.2 44.03 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.937 -0.477 . . . . 72.22 109.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -109.07 117.95 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 106.831 -1.544 . . . . 64.11 106.831 170.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.505 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 20.7 m -123.59 153.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 CA-C-N 115.568 -0.742 . . . . 72.02 109.403 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 585' ' ' GLU . . . -111.5 138.97 47.34 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.276 -0.42 . . . . 54.23 110.224 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 684' ' ' ILE . 2.1 ppt_? -118.11 142.78 47.06 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 120.078 -0.649 . . . . 65.01 109.45 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.0 122.78 21.46 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.781 -1.192 . . . . 72.3 107.781 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 682' ' ' ARG . 63.9 mt -73.03 -50.8 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 CA-C-O 121.046 0.45 . . . . 74.44 110.329 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 37.6 m 57.72 26.2 12.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.46 -1.246 . . . . 64.3 111.298 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 68.84 8.06 6.55 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.221 1.008 . . . . 64.13 111.905 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.32 113.77 20.95 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.638 -0.875 . . . . 74.41 108.638 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -84.68 108.22 17.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 120.698 -0.401 . . . . 72.44 111.539 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.723 0.809 . . . . 64.43 109.481 177.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 109.2 -0.667 . . . . 72.13 109.2 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . 0.335 1.6 pp -88.46 80.1 7.5 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.647 1.213 . . . . 73.4 113.809 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -126.92 23.56 6.58 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.522 -1.217 . . . . 50.43 108.631 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.5 177.37 1.56 Allowed 'General case' 0 C--O 1.252 1.223 0 CA-C-N 114.837 -1.074 . . . . 74.11 112.441 -178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 91.7 mt 66.66 89.89 0.1 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.302 1.441 . . . . 62.35 112.726 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -106.84 -41.33 5.24 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.396 -1.705 . . . . 63.3 106.396 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . -85.89 83.67 1.61 Allowed Glycine 0 N--CA 1.429 -1.817 0 N-CA-C 104.869 -3.292 . . . . 75.53 104.869 166.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 22.1 p -68.09 88.08 0.28 Allowed 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 117.529 2.418 . . . . 62.12 117.529 -167.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -96.1 112.08 58.44 Favored Pre-proline 0 N--CA 1.429 -1.476 0 N-CA-C 105.095 -2.187 . . . . 62.52 105.095 163.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.91 35.36 0.34 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.373 2.716 . . . . 71.33 113.838 -172.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 51.13 78.32 0.11 Allowed 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 124.637 1.175 . . . . 62.35 111.583 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -115.79 90.96 3.46 Favored 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 107.569 -1.271 . . . . 53.15 107.569 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 622' ' ' LYS . 56.6 mt-10 -109.98 136.36 49.37 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 114.233 -1.349 . . . . 64.2 109.853 -176.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.48 HD21 ' HD2' ' A' ' 663' ' ' ARG . 0.1 OUTLIER -126.86 129.44 48.25 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 107.342 -1.355 . . . . 75.15 107.342 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . . . . . . . . . 2.3 mp -103.81 127.5 57.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 C-N-CA 120.444 -0.502 . . . . 63.34 109.683 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.425 ' CG2' HD11 ' A' ' 662' ' ' LEU . 28.0 pt . . . . . 0 N--CA 1.411 -2.412 0 CA-C-N 115.488 -0.778 . . . . 64.31 110.228 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.962 0 N-CA-C 110.528 -1.029 . . . . 41.22 110.528 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' SER . . . . . . . . . . . . . 36.2 t -128.72 126.14 39.42 Favored 'General case' 0 N--CA 1.423 -1.82 0 CA-C-O 121.404 0.621 . . . . 64.1 110.69 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.1 1.84 28.81 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.51 -1.292 . . . . 43.11 107.51 175.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 117.48 70.37 0.4 Allowed Glycine 0 N--CA 1.428 -1.881 0 N-CA-C 108.873 -1.691 . . . . 53.43 108.873 -175.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' THR . . . . . . . . . . . . . 26.6 m -58.76 -40.34 83.6 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 124.082 0.953 . . . . 73.1 111.932 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 683' ' ' ARG . 36.0 ptt180 -137.19 148.28 46.44 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 116.089 -0.505 . . . . 73.04 109.768 178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -109.86 146.62 34.79 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.646 -0.502 . . . . 74.25 109.646 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' PHE . . . . . 0.421 ' CE2' HG21 ' A' ' 643' ' ' ILE . 9.6 m-30 -91.84 127.89 37.47 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.614 -0.721 . . . . 71.22 110.656 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 98.0 mt -104.6 131.68 51.73 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.759 -0.83 . . . . 64.4 108.759 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' THR . . . . . . . . . . . . . 41.7 m -105.86 121.59 44.37 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-N 115.528 -0.76 . . . . 75.1 109.473 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' PHE . . . . . 0.421 ' CD2' ' HG ' ' A' ' 636' ' ' LEU . 58.7 m-85 -120.91 129.54 53.52 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.989 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -112.12 117.89 33.87 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.89 -0.782 . . . . 71.44 108.89 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 676' ' ' ILE . 78.7 t -113.29 117.47 45.36 Favored Pre-proline 0 C--N 1.284 -2.247 0 CA-C-N 115.58 -0.736 . . . . 70.44 109.74 -176.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 675' ' ' MET . 71.4 Cg_endo -73.79 148.33 41.05 Favored 'Trans proline' 0 C--N 1.321 -0.882 0 C-N-CA 121.501 1.467 . . . . 74.24 111.303 178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.95 76.87 2.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.641 0.734 . . . . 72.32 110.395 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -102.82 -75.1 0.61 Allowed 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.93 -1.032 . . . . 70.0 111.132 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.36 20.0 2.56 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.519 0.728 . . . . 73.03 109.25 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 599' ' ' ALA . 16.1 m -71.6 1.45 6.61 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 124.976 1.311 . . . . 71.32 114.216 -171.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -83.75 -28.99 33.36 Favored Glycine 0 N--CA 1.425 -2.088 0 C-N-CA 119.399 -1.381 . . . . 62.13 110.489 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' SER . . . . . . . . . . . . . 24.8 m -87.29 -47.04 9.15 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.895 0.855 . . . . 75.05 109.784 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 596' ' ' SER . . . -151.3 141.06 21.84 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 104.388 -2.449 . . . . 55.13 104.388 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLY . . . . . . . . . . . . . . . -60.84 -57.54 18.29 Favored Glycine 0 C--N 1.288 -2.131 0 O-C-N 123.939 0.775 . . . . 64.31 112.307 -171.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.567 HD11 HD13 ' A' ' 676' ' ' ILE . 6.4 mp -109.43 -36.51 5.97 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 107.841 -1.17 . . . . 70.02 107.841 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' GLY . . . . . 0.485 ' O ' ' HB ' ' A' ' 625' ' ' ILE . . . 88.64 50.73 3.26 Favored Glycine 1 N--CA 1.38 -5.077 0 N-CA-C 108.991 -1.644 . . . . 73.11 108.991 -177.279 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.03 150.87 35.06 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.745 0 N-CA-C 106.696 -1.594 . . . . 64.3 106.696 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 622' ' ' LYS . 39.4 m -115.27 124.61 51.77 Favored 'General case' 0 N--CA 1.38 -3.974 0 N-CA-C 107.358 -1.349 . . . . 63.23 107.358 174.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 621' ' ' VAL . 5.1 m -121.99 165.15 18.11 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.087 0 CA-C-N 116.092 -0.504 . . . . 64.44 109.935 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.534 ' HE2' ' OE2' ' B' ' 781' ' ' GLU . 3.5 ptpt -149.5 151.29 33.68 Favored 'General case' 0 C--N 1.268 -2.973 0 CA-C-N 115.359 -0.837 . . . . 75.25 108.889 177.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 619' ' ' ILE . . . -110.44 111.04 2.96 Favored Glycine 0 N--CA 1.399 -3.774 0 N-CA-C 109.558 -1.417 . . . . 54.4 109.558 175.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.15 135.39 35.58 Favored 'General case' 0 C--N 1.287 -2.145 0 C-N-CA 119.747 -0.781 . . . . 54.44 109.415 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -113.23 146.21 39.7 Favored 'General case' 0 C--N 1.27 -2.868 0 N-CA-C 108.407 -0.96 . . . . 74.53 108.407 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' SER . . . . . . . . . . . . . 45.6 m -61.9 110.33 1.52 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 107.122 -1.436 . . . . 62.24 107.122 172.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -58.12 -32.95 68.62 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 124.425 1.09 . . . . 73.43 112.679 -170.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -101.58 -45.12 5.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.78 0.324 . . . . 72.1 111.272 -178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -69.81 -25.47 63.78 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.859 0.361 . . . . 63.43 111.469 -177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' HIS . . . . . . . . . . . . . 37.6 m80 70.68 12.17 7.26 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.093 0.957 . . . . 71.11 113.247 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ALA . . . . . . . . . . . . . . . -95.67 149.17 21.76 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 106.885 -1.524 . . . . 65.21 106.885 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -83.57 155.62 23.18 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 120.005 -0.678 . . . . 64.02 110.855 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.48 -15.75 18.58 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.982 -1.118 . . . . 73.25 107.982 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 118.87 -149.82 18.12 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 114.715 -1.129 . . . . 75.13 112.066 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.446 ' HA ' ' HA2' ' A' ' 607' ' ' GLY . 50.6 mm -128.1 126.26 65.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.441 -1.688 . . . . 65.34 106.441 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' PHE . . . . . 0.536 ' HA ' ' O ' ' A' ' 640' ' ' ASP . 60.9 m-85 -128.87 147.19 50.8 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-O 120.836 0.35 . . . . 72.44 111.157 -173.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.47 ' HA ' HG12 ' A' ' 605' ' ' VAL . 81.9 t -70.2 130.81 34.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 108.396 -0.965 . . . . 64.1 108.396 171.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 604' ' ' SER . 0.0 OUTLIER -110.63 -31.1 7.34 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 117.83 -1.548 . . . . 74.53 110.714 176.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' SER . . . . . . . . . . . . . 23.4 p -149.46 137.99 20.87 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.524 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 624' ' ' ILE . 1.9 mp -95.17 138.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 108.394 -0.965 . . . . 72.02 108.394 176.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 602' ' ' GLY . 82.5 mt -88.71 110.77 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 0 N-CA-C 106.423 -1.695 . . . . 75.04 106.423 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -81.03 108.93 15.12 Favored 'General case' 0 CA--C 1.484 -1.589 0 CA-C-O 121.576 0.703 . . . . 75.14 111.285 -174.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . 140.58 -27.44 2.48 Favored Glycine 0 N--CA 1.422 -2.249 0 CA-C-N 114.372 -1.286 . . . . 64.32 110.174 -177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . . . . . . . . . . . -72.09 169.3 51.24 Favored Glycine 0 C--O 1.244 0.741 0 C-N-CA 121.379 -0.439 . . . . 43.2 112.575 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.97 74.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 111.895 0.332 . . . . 73.55 111.895 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 601' ' ' LEU . . . -72.52 -26.65 61.84 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-O 121.532 0.682 . . . . 72.15 109.815 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 47.3 t -74.69 -52.02 12.73 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-N 114.614 -1.175 . . . . 70.3 109.416 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.54 -51.46 35.4 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 112.351 0.5 . . . . 71.4 112.351 -177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.61 -51.54 9.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.453 0.538 . . . . 75.04 112.453 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' GLY . . . . . . . . . . . . . . . -83.25 -43.24 7.57 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.349 -0.929 . . . . 72.11 115.0 -171.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.83 49.48 7.92 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.847 -1.538 . . . . 74.22 106.847 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 589' ' ' PHE . 6.4 mp -67.24 154.53 41.07 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 115.908 -0.587 . . . . 73.24 110.63 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' ARG . . . . . 0.484 ' HG3' ' HB2' ' A' ' 640' ' ' ASP . 18.2 ptt180 -96.51 164.34 12.66 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 115.322 -0.854 . . . . 71.23 111.384 -175.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.36 149.84 5.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 CA-C-N 114.831 -1.077 . . . . 75.31 108.156 173.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 74.5 11.09 4.06 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 124.456 1.102 . . . . 55.31 111.845 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' ASP . . . . . 0.732 ' OD1' ' HB ' ' A' ' 680' ' ' VAL . 6.4 t70 -82.36 143.1 31.48 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 118.778 -1.169 . . . . 74.3 109.151 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -89.82 119.21 30.0 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.894 0.878 . . . . 73.54 111.583 -177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' LEU . . . . . 0.419 ' CD2' HG11 ' A' ' 605' ' ' VAL . 6.7 mp -78.6 109.95 13.27 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.486 0.66 . . . . 73.4 110.843 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.421 HG21 ' CE2' ' A' ' 586' ' ' PHE . 43.7 mm -89.41 -53.66 8.97 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 CA-C-N 115.288 -0.869 . . . . 75.35 110.997 -175.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.497 ' HB3' ' HB ' ' A' ' 679' ' ' ILE . . . -139.96 153.6 46.95 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.206 -0.907 . . . . 73.31 110.63 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' ' 646' ' ' ASN . 13.1 p -138.31 131.52 40.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 116.091 -0.504 . . . . 73.41 110.022 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 645' ' ' VAL . 18.5 m120 60.7 23.44 13.3 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.445 1.098 . . . . 73.32 110.859 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . 93.26 -19.31 53.2 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 115.512 -0.767 . . . . 75.54 113.107 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -86.17 132.71 33.95 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 117.293 0.546 . . . . 72.45 109.986 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 49.5 m -90.66 142.59 27.59 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 120.775 0.321 . . . . 72.35 110.973 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 650' ' ' LEU . 1.1 pt? -132.64 7.75 4.14 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 116.367 -0.379 . . . . 74.13 111.489 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.415 HD22 HD12 ' A' ' 643' ' ' ILE . 57.3 tp -68.4 99.13 0.91 Allowed 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.117 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 148.29 -21.34 1.38 Allowed Glycine 0 C--N 1.307 -1.071 0 C-N-CA 120.584 -0.817 . . . . 61.14 112.306 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -92.17 159.85 15.46 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.343 -0.614 . . . . 61.33 109.343 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.5 168.25 2.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.013 0.525 . . . . 55.3 112.235 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.7 ' O ' ' HG3' ' A' ' 659' ' ' MET . 13.6 m120 -56.28 -49.63 73.69 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 123.428 0.455 . . . . 62.2 111.093 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -64.97 -48.58 73.49 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 108.952 -0.758 . . . . 73.02 108.952 -174.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.42 -47.78 72.4 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.959 -1.473 . . . . 74.23 110.067 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.67 97.93 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.475 -0.784 . . . . 75.4 111.063 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.7 ' HG3' ' O ' ' A' ' 655' ' ' ASN . 76.9 mtp -63.93 -37.76 88.59 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 116.548 -0.296 . . . . 74.2 110.715 -179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -68.87 -41.9 77.73 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.301 -0.56 . . . . 75.11 110.763 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 90.1 m -58.71 -43.52 90.14 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.552 0.691 . . . . 73.21 109.519 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.57 -56.37 16.46 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.916 -1.038 . . . . 74.14 112.775 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 659' ' ' MET . 14.9 ptm180 -62.91 -30.89 71.89 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.197 0.443 . . . . 73.33 112.197 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -76.77 -45.29 29.57 Favored 'General case' 0 C--O 1.207 -1.165 0 N-CA-C 112.217 0.451 . . . . 71.14 112.217 178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' SER . . . . . . . . . . . . . 23.4 m -66.6 -39.79 88.57 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.137 -0.625 . . . . 52.32 109.995 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 676' ' ' ILE . 4.0 ppp? -68.9 -23.01 64.14 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.915 -0.584 . . . . 72.43 111.315 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' SER . . . . . . . . . . . . . 38.8 t -92.05 -56.13 3.19 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 115.904 -0.589 . . . . 71.32 109.759 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 39.2 m -69.94 -51.31 33.84 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.666 -0.697 . . . . 75.21 112.013 -174.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -88.85 -19.18 26.24 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-O 120.927 0.394 . . . . 72.41 111.016 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' GLY . . . . . . . . . . . . . . . -64.87 -60.73 6.55 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 111.116 -0.794 . . . . 65.15 111.116 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -84.13 76.67 10.06 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.411 0.624 . . . . 62.53 110.745 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 -31.1 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.747 1.619 . . . . 65.12 109.012 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -81.42 -27.6 34.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.355 -0.839 . . . . 74.31 110.42 171.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' GLY . . . . . . . . . . . . . . . 100.12 -37.96 3.33 Favored Glycine 0 CA--C 1.5 -0.881 0 N-CA-C 110.275 -1.13 . . . . 73.43 110.275 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' MET . . . . . 0.412 ' HA ' ' HA ' ' A' ' 592' ' ' PRO . 21.2 ptp -136.38 157.71 46.15 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.348 -0.982 . . . . 75.13 108.348 175.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' ILE . . . . . 0.567 HD13 HD11 ' A' ' 601' ' ' LEU . 8.3 tt -110.7 132.38 59.29 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 CA-C-O 121.393 0.616 . . . . 63.13 110.13 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -102.01 124.72 48.11 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 115.423 -0.808 . . . . 72.44 110.567 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 678' ' ' LEU . 1.5 mm? -115.1 128.07 56.0 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 108.638 -0.875 . . . . 74.42 108.638 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' ILE . . . . . 0.497 ' HB ' ' HB3' ' A' ' 644' ' ' ALA . 2.7 mp -107.98 116.93 52.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 106.71 -1.589 . . . . 64.24 106.71 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' VAL . . . . . 0.732 ' HB ' ' OD1' ' A' ' 640' ' ' ASP . 27.6 m -121.99 173.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.324 0 N-CA-C 108.983 -0.747 . . . . 74.35 108.983 -177.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' ALA . . . . . . . . . . . . . . . -138.72 127.59 23.7 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.556 0.693 . . . . 74.32 112.426 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.8 133.0 55.33 Favored 'General case' 0 N--CA 1.419 -1.987 0 N-CA-C 109.16 -0.681 . . . . 73.13 109.16 176.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 685' ' ' SER . 17.3 ptp180 -82.23 146.1 29.68 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 112.43 0.53 . . . . 73.44 112.43 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.66 -28.44 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-O 121.807 0.813 . . . . 72.4 111.137 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.514 ' O ' ' HG3' ' A' ' 683' ' ' ARG . 29.9 m -86.61 114.23 23.16 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 108.226 -1.027 . . . . 74.25 108.226 175.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -89.98 151.79 21.51 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.347 -0.541 . . . . 71.32 110.613 -175.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 52.3 t -129.73 92.59 3.35 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 106.681 -1.6 . . . . 74.24 106.681 170.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -74.19 139.91 44.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.742 -0.663 . . . . 75.11 112.391 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.301 -1.539 0 CA-C-N 115.047 -0.979 . . . . 73.01 109.351 -178.111 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 769' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 CA--C 1.514 -0.423 0 CA-C-O 121.323 0.582 . . . . 74.33 109.889 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 770' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.1 97.91 6.33 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.748 -0.66 . . . . 71.03 110.408 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 771' ' ' ALA . . . . . . . . . . . . . . . -131.4 95.68 3.82 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.31 0.576 . . . . 61.45 110.844 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 772' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.9 168.95 8.88 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 108.043 -1.095 . . . . 73.05 108.043 177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 773' ' ' LEU . . . . . . . . . . . . . 91.4 mt -105.94 159.32 16.13 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.208 -0.664 . . . . 61.31 109.208 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 774' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -108.73 95.14 5.45 Favored 'General case' 0 N--CA 1.414 -2.251 0 N-CA-C 104.366 -2.457 . . . . 74.15 104.366 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 775' ' ' GLY . . . . . . . . . . . . . . . 114.35 58.46 0.38 Allowed Glycine 1 N--CA 1.384 -4.779 0 N-CA-C 109.136 -1.586 . . . . 52.21 109.136 -171.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 776' ' ' SER . . . . . . . . . . . . . 42.8 m -84.13 88.04 7.18 Favored 'General case' 0 N--CA 1.42 -1.96 0 CA-C-O 121.736 0.779 . . . . 74.24 110.656 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 777' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -101.26 122.88 46.76 Favored Pre-proline 0 C--N 1.297 -1.705 0 N-CA-C 107.256 -1.387 . . . . 64.42 107.256 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 778' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -61.24 -55.2 1.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.199 1.933 . . . . 61.11 113.376 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 779' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -135.98 89.35 2.48 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-N 115.603 -0.726 . . . . 72.02 112.292 -175.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 780' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 606' ' ' LYS . 43.7 mt-10 -97.35 -8.76 28.86 Favored 'General case' 0 C--O 1.188 -2.167 0 N-CA-C 107.725 -1.213 . . . . 73.1 107.725 168.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 781' ' ' GLU . . . . . 0.534 ' OE2' ' HE2' ' A' ' 606' ' ' LYS . 4.1 mp0 -104.05 143.23 33.18 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.428 0.632 . . . . 62.14 112.126 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 782' ' ' LEU . . . . . 0.503 ' HB2' ' HE2' ' A' ' 659' ' ' MET . 3.3 tm? -142.54 137.13 29.94 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 106.738 -1.579 . . . . 70.35 106.738 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 783' ' ' ILE . . . . . 0.431 ' N ' HD12 ' B' ' 783' ' ' ILE . 2.3 mp -111.2 132.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.733 -0.84 . . . . 72.31 108.733 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 784' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' B' ' 782' ' ' LEU . 16.1 pt . . . . . 0 N--CA 1.425 -1.7 0 CA-C-O 117.727 -1.13 . . . . 73.54 111.27 -179.934 . . . . . . . . 1 1 . 1 stop_ save_