==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 27-OCT-07 3B67 . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.E.BOHL,D.D.MILLER,J.T.DALTON . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 0 0 2 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 671 A P > 0 0 126 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 52.7 10.5 25.7 20.0 2 672 A I H > + 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.925 360.0 50.1 -56.9 -50.7 13.9 25.4 21.8 3 673 A F H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 114.6 43.3 -57.9 -45.8 14.3 21.7 21.2 4 674 A L H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.832 108.3 59.2 -69.8 -33.8 13.6 21.9 17.4 5 675 A N H X S+ 0 0 86 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.945 108.8 46.5 -57.9 -47.0 15.7 25.0 17.1 6 676 A V H X S+ 0 0 46 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.914 110.7 48.7 -63.5 -48.4 18.6 23.0 18.3 7 677 A L H X S+ 0 0 3 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.912 113.5 49.0 -59.6 -42.4 18.2 19.9 16.2 8 678 A E H < S+ 0 0 93 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.919 110.3 51.9 -61.9 -44.4 17.8 22.1 13.1 9 679 A A H < S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.841 114.2 40.5 -63.4 -37.3 20.9 24.1 14.1 10 680 A I H < S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.576 79.8 124.5 -90.9 -8.6 23.2 21.0 14.5 11 681 A E < - 0 0 65 -4,-1.2 -3,-0.0 -3,-0.4 124,-0.0 -0.331 68.8-113.1 -55.4 119.0 21.9 19.0 11.4 12 682 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.093 26.1-127.6 -54.5 149.0 25.0 18.3 9.3 13 683 A G - 0 0 64 1,-0.2 2,-0.1 -3,-0.1 31,-0.0 -0.021 52.2 -44.8 -83.3-164.7 25.4 19.8 5.9 14 684 A V - 0 0 116 81,-0.0 2,-0.5 1,-0.0 -1,-0.2 -0.366 52.3-164.4 -67.5 137.5 26.2 18.0 2.6 15 685 A V - 0 0 24 -3,-0.1 2,-0.2 -2,-0.1 26,-0.1 -0.989 6.0-155.2-126.9 123.1 28.9 15.3 2.7 16 686 A C - 0 0 57 -2,-0.5 24,-0.1 79,-0.1 79,-0.0 -0.658 14.0-144.9 -98.1 155.2 30.4 14.0 -0.5 17 687 A A - 0 0 2 -2,-0.2 -1,-0.1 2,-0.1 20,-0.1 0.679 30.5-129.8 -89.6 -22.5 32.0 10.6 -1.2 18 688 A G + 0 0 52 1,-0.2 80,-0.1 18,-0.1 -2,-0.0 0.602 48.4 165.8 80.8 11.9 34.7 11.7 -3.6 19 689 A H - 0 0 18 78,-0.1 2,-1.1 1,-0.1 -1,-0.2 -0.240 42.2-120.4 -61.7 146.4 33.6 9.0 -6.0 20 690 A D > + 0 0 75 1,-0.1 3,-1.2 9,-0.1 -1,-0.1 -0.764 30.5 179.2 -93.1 98.3 34.8 9.0 -9.6 21 691 A N T 3 S+ 0 0 71 -2,-1.1 -1,-0.1 1,-0.2 4,-0.1 0.293 74.1 67.9 -82.3 10.3 31.6 9.2 -11.7 22 692 A N T 3 S+ 0 0 155 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.398 88.5 82.6-105.0 -0.8 33.4 9.3 -15.0 23 693 A Q S < S- 0 0 120 -3,-1.2 3,-0.1 1,-0.1 -3,-0.0 -0.832 92.1-102.2-106.1 140.0 34.6 5.7 -14.4 24 694 A P - 0 0 98 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.187 49.6 -95.2 -54.7 151.5 32.5 2.6 -15.2 25 695 A D + 0 0 34 -4,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.411 49.7 168.5 -72.1 148.3 30.9 1.0 -12.1 26 696 A S > - 0 0 44 1,-0.1 4,-2.3 -3,-0.1 5,-0.3 -0.963 44.3-115.8-155.1 147.3 32.7 -1.9 -10.4 27 697 A F H > S+ 0 0 16 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.956 114.4 48.9 -51.4 -55.1 32.1 -3.5 -7.1 28 698 A A H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 192,-0.2 0.911 112.6 45.7 -52.1 -52.5 35.5 -2.5 -5.7 29 699 A A H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 114.5 48.1 -61.0 -42.6 35.2 1.2 -6.7 30 700 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 115.0 43.9 -65.4 -47.3 31.7 1.6 -5.4 31 701 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.830 110.6 55.5 -68.7 -32.1 32.4 -0.1 -2.1 32 702 A S H X S+ 0 0 32 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.880 110.9 46.0 -67.0 -35.9 35.6 1.9 -1.7 33 703 A S H X S+ 0 0 15 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.861 110.8 52.3 -73.6 -34.9 33.5 5.0 -2.2 34 704 A L H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.878 112.0 46.3 -67.5 -36.6 30.9 3.8 0.3 35 705 A N H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 113.4 48.1 -69.9 -46.3 33.6 3.1 2.9 36 706 A E H X S+ 0 0 72 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.931 113.9 47.3 -58.7 -48.6 35.2 6.5 2.4 37 707 A L H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.934 109.1 54.4 -58.6 -47.9 31.9 8.3 2.5 38 708 A G H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.892 109.7 47.9 -53.4 -42.3 31.0 6.3 5.7 39 709 A E H X S+ 0 0 44 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.865 111.5 48.8 -66.5 -41.1 34.2 7.6 7.3 40 710 A R H X S+ 0 0 95 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.919 113.3 49.2 -66.2 -40.8 33.6 11.2 6.3 41 711 A Q H >X S+ 0 0 24 -4,-3.1 4,-2.6 1,-0.2 3,-0.6 0.897 101.5 60.7 -65.3 -43.3 30.1 10.9 7.6 42 712 A L H 3X S+ 0 0 12 -4,-2.4 4,-2.8 1,-0.3 5,-0.2 0.874 98.2 59.7 -53.1 -39.4 31.1 9.4 11.0 43 713 A V H 3X S+ 0 0 74 -4,-1.2 4,-1.6 1,-0.2 -1,-0.3 0.918 111.3 40.9 -55.3 -43.6 33.1 12.6 11.7 44 714 A H H < S+ 0 0 11 -4,-2.6 3,-1.5 2,-0.2 4,-0.3 0.979 111.2 47.7 -63.6 -56.9 26.2 16.2 15.8 49 719 A A H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.902 107.9 54.4 -52.0 -48.5 25.7 13.7 18.7 50 720 A K H 3< S+ 0 0 51 -4,-2.2 -1,-0.3 1,-0.3 6,-0.2 0.704 108.5 50.9 -64.2 -15.8 27.9 15.6 21.1 51 721 A A T << S+ 0 0 51 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.358 84.3 115.5-100.9 4.0 25.9 18.8 20.4 52 722 A L S X S- 0 0 6 -3,-1.9 3,-1.8 -4,-0.3 4,-0.4 -0.471 83.1 -89.9 -72.7 141.5 22.6 17.1 21.1 53 723 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.304 109.1 0.6 -54.9 129.9 20.6 18.4 24.2 54 724 A G T > S+ 0 0 33 1,-0.1 3,-2.2 -3,-0.1 4,-0.4 0.302 91.4 123.5 76.7 -8.2 21.6 16.4 27.3 55 725 A F G X + 0 0 0 -3,-1.8 3,-1.5 1,-0.3 -4,-0.1 0.836 68.1 59.5 -54.6 -38.7 24.1 14.1 25.5 56 726 A R G 3 S+ 0 0 162 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.539 85.9 79.3 -70.1 -4.3 27.0 15.1 27.8 57 727 A N G < S+ 0 0 110 -3,-2.2 -1,-0.3 99,-0.1 -2,-0.2 0.866 81.6 86.6 -66.9 -34.4 24.9 13.8 30.7 58 728 A L S < S- 0 0 6 -3,-1.5 2,-0.1 -4,-0.4 96,-0.1 -0.137 95.8 -94.7 -62.7 159.5 26.1 10.4 29.5 59 729 A H > - 0 0 65 94,-0.2 4,-2.6 1,-0.1 3,-0.4 -0.465 36.2-114.4 -73.5 148.2 29.3 8.8 30.6 60 730 A V H > S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.886 116.7 46.4 -50.9 -46.3 32.3 9.4 28.3 61 731 A D H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.808 112.0 51.2 -69.1 -30.2 32.6 5.7 27.4 62 732 A D H > S+ 0 0 7 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.881 102.8 61.0 -73.9 -37.5 28.8 5.4 26.9 63 733 A Q H X S+ 0 0 11 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.942 111.0 37.4 -54.7 -52.9 28.8 8.4 24.5 64 734 A M H X S+ 0 0 61 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.913 116.2 52.1 -68.7 -41.0 31.2 6.8 22.0 65 735 A A H X S+ 0 0 14 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.931 111.0 48.5 -58.7 -47.3 29.7 3.3 22.3 66 736 A V H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.900 112.4 49.0 -59.8 -42.0 26.2 4.7 21.7 67 737 A I H X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.3 -2,-0.2 0.904 113.7 45.5 -65.6 -41.7 27.5 6.6 18.7 68 738 A Q H < S+ 0 0 32 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.870 114.5 47.1 -72.4 -36.6 29.2 3.6 17.2 69 739 A Y H < S+ 0 0 15 -4,-2.7 4,-0.3 -5,-0.2 3,-0.3 0.922 119.4 38.4 -71.4 -43.0 26.4 1.2 17.8 70 740 A S H X S+ 0 0 5 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.589 89.2 99.6 -83.6 -10.3 23.6 3.5 16.4 71 741 A W H X S+ 0 0 25 -4,-1.0 4,-2.0 1,-0.2 5,-0.2 0.880 82.2 46.5 -41.4 -56.4 25.8 4.8 13.6 72 742 A M H > S+ 0 0 41 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.915 112.7 47.8 -57.7 -49.9 24.4 2.6 10.9 73 743 A G H > S+ 0 0 6 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.844 109.8 53.6 -61.2 -36.3 20.7 3.1 11.7 74 744 A L H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.936 112.3 44.1 -62.7 -47.3 21.2 6.9 11.9 75 745 A M H X S+ 0 0 33 -4,-2.0 4,-3.4 -5,-0.2 5,-0.3 0.902 110.8 53.6 -63.8 -46.4 22.7 7.0 8.4 76 746 A V H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.925 112.2 46.0 -54.6 -46.5 20.2 4.6 6.9 77 747 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.927 115.8 43.8 -63.7 -49.1 17.4 6.9 8.2 78 748 A A H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.903 113.0 51.6 -64.4 -43.3 19.1 10.1 7.0 79 749 A M H X S+ 0 0 7 -4,-3.4 4,-2.2 1,-0.2 14,-0.5 0.861 108.7 52.5 -63.2 -35.7 20.0 8.7 3.6 80 750 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.908 109.8 47.5 -66.1 -42.4 16.4 7.5 3.2 81 751 A W H X S+ 0 0 36 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.893 111.5 51.3 -65.4 -39.4 15.1 11.0 3.9 82 752 A R H X S+ 0 0 66 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.877 109.4 50.1 -64.2 -39.8 17.7 12.5 1.5 83 753 A S H X S+ 0 0 0 -4,-2.2 6,-2.6 3,-0.2 4,-1.8 0.912 113.2 48.1 -63.9 -42.6 16.5 10.0 -1.2 84 754 A F H X S+ 0 0 44 -4,-2.3 4,-1.2 4,-0.3 -2,-0.2 0.979 118.3 36.4 -62.4 -58.9 12.9 11.1 -0.5 85 755 A T H < S+ 0 0 73 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.857 124.8 39.6 -67.1 -35.2 13.5 14.9 -0.6 86 756 A N H < S+ 0 0 85 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.899 135.8 8.7 -83.9 -43.9 16.1 14.9 -3.4 87 757 A V H >< S- 0 0 35 -4,-1.8 3,-2.7 -5,-0.4 -3,-0.2 0.065 97.8-110.3-127.9 26.0 14.9 12.3 -5.9 88 758 A N T 3< S- 0 0 127 -4,-1.2 -4,-0.3 1,-0.3 -3,-0.1 0.825 75.7 -60.7 48.1 38.5 11.5 11.4 -4.6 89 759 A S T 3 S+ 0 0 11 -6,-2.6 -1,-0.3 2,-0.2 -5,-0.2 0.577 107.1 128.0 69.7 8.6 12.8 8.0 -3.6 90 760 A R S < S- 0 0 181 -3,-2.7 2,-0.3 -7,-0.4 -2,-0.1 0.920 80.2 -0.8 -60.9 -45.2 13.6 7.3 -7.3 91 761 A M S S- 0 0 60 -8,-0.3 2,-0.7 -4,-0.1 -2,-0.2 -0.866 88.3 -88.5-138.4 170.6 17.2 6.3 -6.3 92 762 A L E -A 100 0A 0 8,-1.8 8,-2.7 -2,-0.3 2,-1.4 -0.772 32.8-155.3 -89.6 114.9 19.3 6.1 -3.2 93 763 A Y E +A 99 0A 46 -2,-0.7 6,-0.2 -14,-0.5 -11,-0.1 -0.609 29.5 158.1 -89.9 76.4 21.0 9.4 -2.5 94 764 A F E S- 0 0 21 -2,-1.4 -1,-0.2 4,-1.2 5,-0.2 0.898 77.7 -24.3 -64.2 -38.4 24.0 8.3 -0.4 95 765 A A E > S-A 98 0A 1 3,-1.0 3,-2.0 -3,-0.3 -1,-0.3 -0.957 72.1 -94.3-164.0 162.7 25.7 11.6 -1.4 96 766 A P T 3 S+ 0 0 54 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.821 130.0 37.8 -56.3 -29.5 25.4 14.1 -4.2 97 767 A D T 3 S+ 0 0 31 1,-0.2 -78,-0.1 -4,-0.0 -81,-0.1 0.131 115.2 56.4-108.4 18.2 28.2 12.2 -6.0 98 768 A L E < +A 95 0A 0 -3,-2.0 -4,-1.2 -80,-0.1 -3,-1.0 -0.527 64.8 155.6-148.3 72.3 27.1 8.8 -4.9 99 769 A V E -A 93 0A 28 -3,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.909 31.1-143.1-105.0 124.4 23.6 8.2 -6.1 100 770 A F E -A 92 0A 0 -8,-2.7 -8,-1.8 -2,-0.5 2,-0.2 -0.760 17.3-177.6 -95.1 128.1 22.5 4.6 -6.7 101 771 A N > - 0 0 69 -2,-0.5 4,-2.4 -10,-0.2 3,-0.2 -0.498 52.9 -85.4-103.9-179.3 20.2 3.4 -9.5 102 772 A E H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 129.3 56.7 -57.6 -36.9 19.2 -0.2 -9.8 103 773 A Y H > S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.922 110.7 42.3 -61.2 -44.4 22.3 -1.0 -11.7 104 774 A R H > S+ 0 0 27 -3,-0.2 4,-2.5 2,-0.2 6,-0.3 0.856 110.3 57.9 -70.5 -34.6 24.5 0.2 -8.9 105 775 A M H <>S+ 0 0 0 -4,-2.4 5,-1.2 2,-0.2 6,-0.3 0.924 113.8 39.0 -60.0 -43.6 22.3 -1.5 -6.4 106 776 A H H ><5S+ 0 0 130 -4,-2.4 3,-1.3 -5,-0.2 5,-0.2 0.917 115.2 52.0 -72.9 -43.1 23.0 -4.8 -8.1 107 777 A K H 3<5S+ 0 0 67 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.811 104.7 56.5 -63.4 -32.3 26.7 -4.0 -8.8 108 778 A S T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.581 104.9-130.2 -75.9 -10.7 27.3 -3.2 -5.1 109 779 A R T < 5S+ 0 0 147 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.763 86.4 102.2 64.9 25.7 26.0 -6.6 -4.2 110 780 A M >< + 0 0 11 -5,-1.2 4,-2.7 -6,-0.3 5,-0.2 -0.043 36.8 129.7-124.7 27.5 23.8 -4.8 -1.6 111 781 A Y H > + 0 0 96 -6,-0.3 4,-2.7 -5,-0.2 5,-0.2 0.911 68.8 49.1 -50.9 -57.3 20.6 -5.0 -3.6 112 782 A S H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 115.4 44.9 -53.7 -42.7 18.3 -6.5 -1.0 113 783 A Q H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 111.9 52.3 -69.6 -39.9 19.4 -3.9 1.6 114 784 A C H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.892 108.1 51.9 -61.9 -39.3 19.1 -1.0 -1.0 115 785 A V H X S+ 0 0 52 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.876 108.7 50.0 -65.6 -38.2 15.6 -2.1 -1.9 116 786 A R H X S+ 0 0 99 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.907 111.8 48.9 -66.6 -39.3 14.6 -2.0 1.8 117 787 A M H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.850 108.4 52.8 -68.3 -34.8 16.1 1.4 2.2 118 788 A R H X S+ 0 0 49 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 108.6 51.2 -66.1 -40.2 14.3 2.7 -1.0 119 789 A H H X S+ 0 0 90 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.869 109.4 49.9 -63.2 -37.1 11.1 1.4 0.6 120 790 A L H >X S+ 0 0 5 -4,-1.7 4,-1.3 2,-0.2 3,-0.7 0.935 107.6 54.5 -64.5 -47.0 11.9 3.3 3.8 121 791 A S H 3X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.3 3,-0.4 0.884 107.3 49.9 -52.9 -42.8 12.6 6.4 1.6 122 792 A Q H 3X S+ 0 0 67 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.751 100.4 67.3 -69.3 -24.6 9.1 6.0 0.1 123 793 A E H S+ 0 0 0 -4,-1.3 5,-2.6 -3,-0.4 -1,-0.2 0.827 113.0 41.8 -57.4 -30.5 8.6 9.4 4.4 125 795 A G H ><5S+ 0 0 26 -4,-0.6 3,-1.0 -3,-0.4 -2,-0.2 0.919 113.2 48.2 -82.3 -49.2 6.3 10.3 1.5 126 796 A W H 3<5S+ 0 0 146 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.896 119.6 40.8 -58.4 -42.3 3.4 7.9 2.1 127 797 A L T 3<5S- 0 0 30 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.425 105.9-129.7 -86.4 0.1 3.3 8.9 5.8 128 798 A Q T < 5 - 0 0 156 -3,-1.0 2,-0.3 -5,-0.2 -3,-0.2 0.947 31.4-161.7 48.9 53.1 3.9 12.6 4.9 129 799 A I < - 0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.0 -0.514 11.1-131.5 -67.0 126.9 6.7 12.7 7.5 130 800 A T > - 0 0 51 -2,-0.3 4,-2.6 -3,-0.2 5,-0.2 -0.422 17.4-112.9 -80.8 157.7 7.4 16.3 8.4 131 801 A P H > S+ 0 0 66 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.825 120.0 48.1 -56.1 -33.1 10.9 17.8 8.4 132 802 A Q H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.840 108.1 51.4 -79.0 -35.9 10.5 18.2 12.2 133 803 A E H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 110.1 53.5 -65.2 -41.4 9.2 14.7 12.8 134 804 A F H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.922 107.1 49.5 -56.9 -49.0 12.2 13.5 10.9 135 805 A L H X S+ 0 0 15 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.921 114.5 44.0 -60.0 -44.9 14.7 15.4 13.0 136 806 A C H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.904 113.5 50.3 -68.9 -39.5 13.3 14.1 16.3 137 807 A M H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.922 110.5 50.1 -63.6 -42.6 13.0 10.6 15.1 138 808 A K H X S+ 0 0 12 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.894 110.1 50.2 -63.1 -39.3 16.6 10.6 13.9 139 809 A A H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-0.5 0.943 107.3 55.4 -62.3 -45.6 17.7 12.0 17.3 140 810 A L H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.817 96.3 65.0 -57.0 -34.4 15.7 9.1 18.9 141 811 A L H >< S+ 0 0 5 -4,-1.6 3,-1.2 1,-0.3 -1,-0.3 0.748 89.1 67.4 -62.0 -24.3 17.6 6.5 16.9 142 812 A L T << S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.6 3,-0.3 0.788 106.4 41.7 -67.3 -23.9 20.8 7.5 18.7 143 813 A F T < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.1 -0.280 93.2 89.7-115.2 44.6 19.3 6.1 21.9 144 814 A S S < S+ 0 0 6 -3,-1.2 100,-3.1 1,-0.2 2,-0.3 0.203 77.7 53.4-126.6 16.8 17.7 3.0 20.4 145 815 A I E +B 243 0B 6 98,-0.3 -1,-0.2 -3,-0.3 -75,-0.1 -0.815 60.8 158.5-156.3 111.2 20.5 0.3 20.6 146 816 A I E -B 242 0B 29 96,-2.1 96,-2.7 -2,-0.3 2,-0.1 -0.851 43.5 -88.0-131.7 165.4 22.3 -0.7 23.8 147 817 A P E > -B 241 0B 19 0, 0.0 3,-1.7 0, 0.0 94,-0.3 -0.452 31.2-128.3 -71.9 144.2 24.3 -3.6 25.3 148 818 A V T 3 S+ 0 0 88 92,-3.1 93,-0.1 1,-0.3 3,-0.1 0.823 113.0 55.1 -60.7 -31.0 22.3 -6.3 27.1 149 819 A D T 3 S- 0 0 156 91,-0.5 -1,-0.3 1,-0.2 92,-0.1 0.491 114.4-125.3 -80.1 -4.6 24.7 -5.8 30.1 150 820 A G < - 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