==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 13-APR-07 2PIU . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.ESTEBANEZ-PERPINA,A.A.ARNOLD,J.D.BAXTER,P.WEBB,R.K.GUY, . 248 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 76.2 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 56.9 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 0 1 1 0 0 2 0 1 0 0 0 0 1 0 0 0 1 0 0 1 0 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 0 112 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-167.5 11.3 25.7 22.7 2 672 A I H > + 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.890 360.0 54.2 -50.8 -53.0 14.9 25.2 23.8 3 673 A F H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 111.3 44.4 -51.8 -51.5 15.2 21.5 23.1 4 674 A L H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.882 108.4 57.0 -63.6 -40.4 14.1 21.9 19.4 5 675 A N H X S+ 0 0 94 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.918 110.0 46.9 -57.6 -41.6 16.3 24.9 18.8 6 676 A V H X S+ 0 0 43 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.965 110.7 49.4 -65.7 -52.4 19.3 22.8 19.9 7 677 A L H X S+ 0 0 3 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.899 114.7 46.1 -53.9 -42.0 18.4 19.8 17.8 8 678 A E H >< S+ 0 0 88 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.905 112.9 50.3 -69.0 -39.8 18.0 22.0 14.7 9 679 A A H 3< S+ 0 0 82 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.899 112.7 43.7 -65.7 -42.6 21.2 23.9 15.4 10 680 A I H 3< S+ 0 0 36 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.501 81.4 123.9 -84.1 -3.1 23.5 20.9 15.9 11 681 A E << - 0 0 60 -4,-0.6 -3,-0.0 -3,-0.5 2,-0.0 -0.362 67.4-114.8 -60.3 129.5 22.1 19.0 12.9 12 682 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.334 25.9-137.4 -66.8 148.2 25.0 18.2 10.5 13 683 A G - 0 0 64 1,-0.2 2,-0.2 -2,-0.0 31,-0.0 0.165 50.8 -37.0 -83.8-152.7 25.1 19.7 7.0 14 684 A V - 0 0 113 81,-0.0 2,-0.4 1,-0.0 -1,-0.2 -0.479 52.9-165.7 -74.5 138.6 26.0 18.0 3.8 15 685 A V - 0 0 22 -2,-0.2 2,-0.1 -3,-0.1 26,-0.1 -0.973 8.8-148.2-129.4 117.0 28.8 15.4 3.7 16 686 A C - 0 0 63 -2,-0.4 24,-0.1 79,-0.1 79,-0.0 -0.422 8.8-145.0 -81.3 158.6 30.3 14.2 0.5 17 687 A A - 0 0 1 -2,-0.1 -1,-0.1 2,-0.1 23,-0.1 0.742 30.7-128.5 -92.5 -27.9 31.6 10.7 -0.1 18 688 A G + 0 0 50 1,-0.3 2,-0.1 19,-0.0 -2,-0.0 0.553 51.5 159.4 89.0 9.9 34.5 11.7 -2.3 19 689 A H - 0 0 15 14,-0.1 2,-1.1 1,-0.1 -1,-0.3 -0.412 43.2-130.8 -70.3 138.2 33.4 9.1 -4.9 20 690 A D > - 0 0 87 1,-0.2 3,-1.5 -2,-0.1 -1,-0.1 -0.770 20.3-173.0 -91.2 98.4 34.6 9.5 -8.5 21 691 A N T 3 S+ 0 0 75 -2,-1.1 -1,-0.2 1,-0.3 4,-0.1 0.551 76.9 75.6 -69.6 -4.8 31.4 9.1 -10.5 22 692 A N T 3 S+ 0 0 153 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.349 86.1 78.9 -88.1 9.2 33.4 9.2 -13.7 23 693 A Q S < S- 0 0 115 -3,-1.5 -4,-0.0 1,-0.1 0, 0.0 -0.771 96.1 -86.9-111.9 157.7 34.5 5.6 -12.9 24 694 A P - 0 0 102 0, 0.0 2,-1.9 0, 0.0 5,-0.1 -0.286 41.9-108.2 -63.8 149.2 32.5 2.4 -13.5 25 695 A D + 0 0 39 4,-0.1 2,-0.2 -4,-0.1 -4,-0.0 -0.520 57.2 160.4 -79.3 77.0 30.0 1.3 -10.8 26 696 A S > - 0 0 52 -2,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.627 52.0-115.1 -97.3 159.5 31.9 -1.8 -9.6 27 697 A F H > S+ 0 0 14 -2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.955 114.0 52.3 -53.4 -54.7 31.5 -3.5 -6.2 28 698 A A H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 192,-0.3 0.901 114.2 40.2 -49.8 -52.6 35.0 -2.5 -5.1 29 699 A A H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 114.5 51.8 -67.6 -44.5 34.7 1.2 -5.8 30 700 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.957 115.1 40.5 -58.1 -52.1 31.1 1.6 -4.6 31 701 A L H X S+ 0 0 6 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.858 111.5 56.4 -67.3 -35.0 31.7 -0.1 -1.2 32 702 A S H X S+ 0 0 19 -4,-1.9 4,-1.9 -5,-0.4 -1,-0.2 0.889 111.5 44.8 -63.2 -36.4 35.1 1.7 -0.8 33 703 A S H X S+ 0 0 16 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.849 110.1 53.9 -75.1 -35.5 33.2 5.0 -1.2 34 704 A L H X S+ 0 0 26 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.902 111.2 47.4 -63.1 -38.7 30.4 3.9 1.1 35 705 A N H X S+ 0 0 12 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.877 110.0 50.4 -69.7 -39.3 33.2 3.1 3.7 36 706 A E H X S+ 0 0 69 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.897 111.5 50.0 -64.2 -39.8 34.9 6.5 3.1 37 707 A L H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.855 109.3 51.4 -65.8 -35.9 31.5 8.1 3.6 38 708 A G H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.953 109.5 49.5 -65.3 -47.6 31.0 6.1 6.8 39 709 A E H X S+ 0 0 20 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.915 113.9 46.6 -55.7 -46.6 34.4 7.3 8.1 40 710 A R H X S+ 0 0 92 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.896 111.4 49.4 -64.9 -43.3 33.4 10.9 7.2 41 711 A Q H X S+ 0 0 21 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.811 100.6 67.1 -67.6 -26.6 30.0 10.7 8.8 42 712 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.907 97.4 53.3 -59.4 -41.6 31.5 9.2 11.9 43 713 A V H X S+ 0 0 59 -4,-1.0 4,-1.9 -3,-0.4 -1,-0.2 0.919 111.3 44.5 -59.2 -46.6 33.3 12.5 12.6 44 714 A H H X S+ 0 0 72 -4,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.835 110.3 55.8 -68.5 -33.9 30.1 14.5 12.4 45 715 A V H X S+ 0 0 15 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.928 106.9 49.6 -64.8 -43.9 28.2 11.9 14.5 46 716 A V H X S+ 0 0 54 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.950 115.7 42.6 -59.9 -47.9 30.8 12.3 17.3 47 717 A K H < S+ 0 0 149 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.907 115.8 48.9 -64.0 -44.1 30.5 16.1 17.3 48 718 A W H >X S+ 0 0 14 -4,-2.9 3,-1.5 2,-0.2 4,-0.6 0.956 112.0 49.2 -59.0 -53.0 26.7 16.0 16.9 49 719 A A H >< S+ 0 0 0 -4,-3.2 3,-1.9 1,-0.3 6,-0.2 0.933 109.0 50.7 -54.6 -51.1 26.4 13.5 19.8 50 720 A K T 3< S+ 0 0 66 -4,-2.5 -1,-0.3 1,-0.3 6,-0.2 0.572 107.1 57.4 -66.4 -6.0 28.6 15.6 22.1 51 721 A A T <4 S+ 0 0 45 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.523 84.5 105.9 -99.3 -9.1 26.4 18.6 21.3 52 722 A L S XX S- 0 0 5 -3,-1.9 3,-1.4 -4,-0.6 4,-0.6 -0.463 87.5 -91.4 -73.5 141.2 23.3 16.9 22.5 53 723 A P T 34 S- 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.257 106.5 -1.5 -53.1 128.9 21.7 17.9 25.8 54 724 A G T >4 S+ 0 0 31 1,-0.1 3,-1.6 -4,-0.1 4,-0.3 0.193 97.2 111.4 77.1 -16.8 23.1 15.8 28.6 55 725 A F G X4 S+ 0 0 0 -3,-1.4 3,-2.4 1,-0.3 -5,-0.1 0.920 72.8 57.7 -55.5 -49.3 25.3 13.5 26.5 56 726 A R G 3< S+ 0 0 165 -4,-0.6 -1,-0.3 1,-0.3 4,-0.1 0.593 96.8 66.5 -59.3 -9.9 28.6 15.0 27.9 57 727 A N G < S+ 0 0 124 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.588 80.6 94.0 -88.3 -9.6 27.3 14.0 31.4 58 728 A L S < S- 0 0 8 -3,-2.4 5,-0.1 -4,-0.3 -4,-0.0 -0.457 99.0 -83.0 -75.9 155.6 27.5 10.3 30.6 59 729 A H > - 0 0 63 94,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.291 42.7-118.4 -56.7 145.1 30.7 8.5 31.6 60 730 A V H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.898 113.5 51.9 -54.4 -46.1 33.3 9.1 28.8 61 731 A D H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.830 109.1 51.3 -61.4 -32.9 33.7 5.4 28.0 62 732 A D H > S+ 0 0 7 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.828 104.1 58.2 -73.4 -31.6 29.9 5.1 27.7 63 733 A Q H X S+ 0 0 14 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.937 112.2 39.3 -62.1 -46.2 29.9 8.1 25.3 64 734 A M H X S+ 0 0 120 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.873 114.2 57.3 -70.8 -36.4 32.2 6.3 22.9 65 735 A A H X S+ 0 0 12 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.957 108.1 43.5 -59.2 -54.8 30.4 3.0 23.6 66 736 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.849 114.5 50.2 -62.2 -35.9 27.0 4.3 22.5 67 737 A I H X S+ 0 0 8 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.931 110.0 50.8 -67.6 -45.0 28.4 6.0 19.4 68 738 A Q H < S+ 0 0 32 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.766 116.6 40.4 -65.6 -26.0 30.3 2.9 18.4 69 739 A Y H < S+ 0 0 18 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.775 121.5 39.6 -92.2 -29.1 27.2 0.7 18.7 70 740 A S H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.470 81.0 96.1-103.3 -2.2 24.6 3.1 17.2 71 741 A W H X S+ 0 0 10 -4,-1.6 4,-3.0 1,-0.2 5,-0.3 0.877 84.2 55.0 -56.8 -37.9 26.3 4.8 14.3 72 742 A M H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.959 111.9 42.3 -61.5 -50.2 24.8 2.4 11.7 73 743 A G H > S+ 0 0 6 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.923 115.1 51.7 -61.0 -44.9 21.2 3.0 12.8 74 744 A L H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.940 114.1 41.6 -57.0 -50.9 21.9 6.8 13.1 75 745 A M H X S+ 0 0 21 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.859 113.3 52.7 -67.6 -36.9 23.3 7.1 9.6 76 746 A V H X S+ 0 0 9 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.938 111.8 46.7 -63.9 -45.1 20.7 4.8 8.0 77 747 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.956 113.2 47.1 -60.6 -54.1 17.9 6.8 9.5 78 748 A A H X S+ 0 0 15 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.912 112.8 51.4 -55.8 -43.0 19.4 10.2 8.5 79 749 A M H X S+ 0 0 5 -4,-2.5 4,-3.1 1,-0.2 14,-0.3 0.950 106.3 52.7 -60.7 -49.4 20.0 8.8 5.0 80 750 A G H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.889 111.9 47.4 -52.8 -41.1 16.4 7.6 4.7 81 751 A W H X S+ 0 0 41 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.920 110.4 50.3 -66.8 -45.6 15.3 11.1 5.5 82 752 A R H X S+ 0 0 59 -4,-2.7 4,-3.0 1,-0.2 5,-0.4 0.906 110.0 52.8 -57.6 -41.6 17.7 12.7 3.1 83 753 A S H X S+ 0 0 1 -4,-3.1 6,-3.4 2,-0.2 4,-1.5 0.872 109.6 47.9 -62.3 -39.7 16.4 10.3 0.5 84 754 A F H X S+ 0 0 50 -4,-1.7 4,-0.9 4,-0.3 -2,-0.2 0.938 118.5 38.6 -67.9 -47.9 12.8 11.3 1.2 85 755 A T H < S+ 0 0 76 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.831 123.4 39.9 -73.7 -34.2 13.5 15.1 1.1 86 756 A N H < S+ 0 0 80 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.944 137.7 5.4 -82.7 -52.3 16.0 15.0 -1.8 87 757 A V H >< S- 0 0 16 -4,-1.5 3,-2.5 -5,-0.4 -2,-0.2 -0.034 99.0-106.9-125.3 31.8 14.6 12.5 -4.3 88 758 A N T 3< S- 0 0 110 -4,-0.9 -4,-0.3 1,-0.3 -3,-0.1 0.799 75.4 -62.9 47.5 35.7 11.2 11.6 -2.7 89 759 A S T 3 S+ 0 0 7 -6,-3.4 -1,-0.3 2,-0.2 -5,-0.2 0.685 105.3 127.5 67.0 20.0 12.7 8.2 -1.7 90 760 A R S < S+ 0 0 155 -3,-2.5 2,-0.3 -7,-0.4 -2,-0.1 0.722 79.2 8.5 -77.7 -22.6 13.2 7.2 -5.4 91 761 A M S S- 0 0 51 -8,-0.3 2,-0.8 -4,-0.1 -4,-0.2 -0.955 90.5 -90.3-149.9 164.2 16.8 6.4 -4.7 92 762 A L E -A 100 0A 1 8,-1.3 8,-2.6 -2,-0.3 2,-1.4 -0.735 35.2-158.4 -84.5 111.1 19.2 6.0 -1.8 93 763 A Y E +A 99 0A 46 -2,-0.8 6,-0.2 -14,-0.3 -1,-0.1 -0.573 29.1 156.9 -91.1 71.2 20.7 9.5 -1.3 94 764 A F E S- 0 0 19 -2,-1.4 -1,-0.2 4,-1.0 5,-0.2 0.935 73.3 -20.7 -59.6 -48.3 23.8 8.5 0.7 95 765 A A E > -A 98 0A 1 3,-1.0 3,-2.4 -3,-0.3 -1,-0.3 -0.972 69.3 -99.2-157.0 160.8 25.6 11.7 -0.4 96 766 A P T 3 S+ 0 0 58 0, 0.0 3,-0.3 0, 0.0 -80,-0.1 0.875 130.1 39.4 -53.1 -36.8 25.3 14.3 -3.2 97 767 A D T 3 S+ 0 0 30 1,-0.2 2,-0.1 -4,-0.1 -81,-0.1 0.299 116.6 54.9 -95.6 9.3 28.1 12.5 -5.0 98 768 A L E < +A 95 0A 0 -3,-2.4 -3,-1.0 2,-0.0 -4,-1.0 -0.485 61.0 154.0-144.5 71.9 26.7 9.0 -4.0 99 769 A V E -A 93 0A 31 -3,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.879 33.3-142.1-101.9 123.5 23.1 8.4 -5.1 100 770 A F E -A 92 0A 0 -8,-2.6 -8,-1.3 -2,-0.5 2,-0.2 -0.732 18.9-176.6 -90.1 128.7 22.2 4.7 -5.6 101 771 A N > - 0 0 65 -2,-0.5 4,-2.4 -10,-0.2 5,-0.2 -0.466 50.9 -81.1-105.9-175.6 19.9 3.8 -8.4 102 772 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.936 130.5 52.6 -52.7 -50.4 18.6 0.3 -9.2 103 773 A Y H > S+ 0 0 133 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.925 111.0 44.9 -53.8 -51.1 21.8 -0.6 -11.0 104 774 A R H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.853 106.7 59.7 -64.1 -34.4 24.1 0.5 -8.1 105 775 A M H <>S+ 0 0 1 -4,-2.4 5,-1.0 1,-0.2 -1,-0.2 0.918 112.2 40.9 -59.2 -41.5 21.9 -1.3 -5.6 106 776 A H H ><5S+ 0 0 117 -4,-2.0 3,-1.6 -5,-0.2 5,-0.2 0.908 113.0 52.6 -72.0 -44.4 22.6 -4.5 -7.5 107 777 A K H 3<5S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.842 101.5 61.6 -60.5 -34.2 26.2 -3.8 -8.1 108 778 A S T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.579 104.3-131.4 -69.0 -11.7 26.8 -3.1 -4.4 109 779 A R T < 5S+ 0 0 149 -3,-1.6 -3,-0.1 -4,-0.2 -2,-0.1 0.714 88.8 90.5 66.1 21.5 25.7 -6.8 -3.7 110 780 A M >< + 0 0 11 -5,-1.0 4,-2.3 1,-0.1 5,-0.2 -0.231 43.2 141.5-137.2 43.4 23.3 -5.6 -1.0 111 781 A Y H > S+ 0 0 85 -5,-0.2 4,-1.8 1,-0.2 5,-0.1 0.887 70.7 47.1 -55.4 -49.0 20.2 -5.2 -3.1 112 782 A S H > S+ 0 0 72 1,-0.2 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3,-1.8 0.826 95.2 69.3 -64.1 -33.6 9.2 5.9 2.2 123 793 A E H S+ 0 0 0 -3,-0.9 5,-2.3 -4,-0.9 -1,-0.3 0.844 109.7 39.4 -58.3 -32.0 8.8 9.1 6.3 125 795 A G H X45S+ 0 0 24 -3,-1.8 3,-1.7 -4,-0.5 -2,-0.2 0.940 113.9 49.6 -82.8 -52.6 6.2 9.9 3.6 126 796 A W H 3<5S+ 0 0 146 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.893 119.2 40.7 -53.8 -41.1 3.5 7.5 4.5 127 797 A L T 3<5S- 0 0 26 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.400 104.2-132.4 -89.4 2.6 3.6 8.6 8.1 128 798 A Q T < 5 - 0 0 156 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.917 30.4-159.3 46.1 52.9 4.0 12.3 7.1 129 799 A I < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 -5,-0.0 -0.423 6.0-135.8 -65.9 130.5 6.9 12.6 9.6 130 800 A T > - 0 0 51 -2,-0.2 4,-2.4 -3,-0.2 5,-0.2 -0.514 20.6-113.3 -84.7 156.3 7.6 16.2 10.6 131 801 A P H > S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.868 118.7 55.0 -56.4 -35.3 11.1 17.6 10.7 132 802 A Q H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 108.3 47.1 -64.1 -43.6 10.7 18.0 14.5 133 803 A E H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.885 110.2 53.5 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30.0 20.3 5.8 23.0 144 814 A S S < S+ 0 0 9 -3,-1.5 100,-3.7 1,-0.2 2,-0.3 0.287 78.8 49.5-111.5 9.0 18.8 2.7 21.5 145 815 A I E +B 243 0B 3 98,-0.3 -1,-0.2 -3,-0.3 -76,-0.2 -0.904 58.7 152.3-153.5 120.9 21.5 0.1 21.7 146 816 A I E -B 242 0B 21 96,-2.1 96,-2.6 -2,-0.3 2,-0.1 -0.911 46.9 -79.8-141.9 167.2 23.6 -1.0 24.7 147 817 A P E > -B 241 0B 14 0, 0.0 3,-1.5 0, 0.0 94,-0.3 -0.386 35.6-124.8 -69.9 147.4 25.5 -4.0 26.1 148 818 A V T 3 S+ 0 0 98 92,-3.0 93,-0.1 1,-0.3 3,-0.1 0.867 112.3 56.3 -59.7 -35.1 23.5 -6.7 27.9 149 819 A D T 3 S- 0 0 142 91,-0.5 -1,-0.3 1,-0.2 92,-0.1 -0.017 115.8-115.8 -87.9 31.6 25.8 -6.2 30.9 150 820 A G < - 0 0 20 -3,-1.5 -1,-0.2 -4,-0.1 2,-0.1 0.354 30.9 -74.5 58.0 168.2 24.9 -2.5 31.1 151 821 A L > - 0 0 20 -3,-0.1 3,-0.9 1,-0.1 4,-0.1 -0.376 48.9 -93.7 -91.8 172.5 27.1 0.6 30.7 152 822 A K T 3 S+ 0 0 122 1,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.878 126.9 19.2 -54.1 -38.0 29.6 2.1 33.1 153 823 A N T 3> S+ 0 0 77 1,-0.1 4,-1.7 -94,-0.1 -1,-0.3 -0.607 71.5 164.1-134.5 73.8 26.8 4.3 34.4 154 824 A Q H <> S+ 0 0 42 -3,-0.9 4,-3.5 1,-0.2 5,-0.3 0.855 72.6 63.6 -57.7 -39.5 23.4 2.7 33.4 155 825 A K H > S+ 0 0 178 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 106.5 41.0 -51.1 -57.3 21.5 4.8 35.8 156 826 A F H > S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.863 115.1 53.4 -61.9 -36.5 22.4 8.1 34.2 157 827 A F H X S+ 0 0 2 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.961 109.1 47.0 -63.6 -49.7 21.9 6.5 30.8 158 828 A D H X S+ 0 0 84 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.844 114.1 49.9 -59.9 -34.0 18.4 5.3 31.6 159 829 A E H X S+ 0 0 105 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.919 112.8 44.8 -69.9 -46.5 17.6 8.7 33.0 160 830 A L H X S+ 0 0 15 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.926 112.6 51.2 -65.0 -44.0 18.8 10.6 29.9 161 831 A R H X S+ 0 0 27 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.866 108.5 53.0 -61.6 -36.6 17.1 8.2 27.5 162 832 A M H X S+ 0 0 86 -4,-1.5 4,-2.3 -5,-0.3 3,-0.3 0.959 106.8 51.6 -63.5 -49.0 13.9 8.7 29.4 163 833 A N H X S+ 0 0 69 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.833 108.2 51.7 -57.7 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863 A L H >X S+ 0 0 6 -4,-2.9 3,-1.2 1,-0.2 4,-0.7 0.911 110.6 49.1 -54.8 -45.5 12.1 3.6 15.4 194 864 A D H >< S+ 0 0 14 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.903 101.3 64.0 -61.0 -41.3 12.1 -0.2 16.1 195 865 A S H 3X S+ 0 0 45 -4,-2.3 4,-0.8 1,-0.3 -1,-0.3 0.684 92.7 65.3 -58.3 -18.4 12.0 -0.9 12.4 196 866 A V H S+ 0 0 39 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.876 112.1 49.1 -57.3 -37.6 16.6 -5.0 11.9 199 869 A I H X S+ 0 0 6 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.2 0.927 111.1 49.0 -67.0 -45.1 18.0 -3.0 9.0 200 870 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.885 108.4 54.5 -61.5 -40.1 21.0 -2.0 11.0 201 871 A R H X S+ 0 0 109 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.887 107.5 49.9 -63.6 -37.8 21.6 -5.5 12.1 202 872 A E H X S+ 0 0 57 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.902 111.9 47.1 -66.9 -40.7 21.6 -6.7 8.5 203 873 A L H X S+ 0 0 13 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.833 108.8 56.5 -69.0 -31.3 24.1 -4.0 7.5 204 874 A H H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.955 109.7 44.7 -62.4 -49.6 26.2 -5.0 10.5 205 875 A Q H X S+ 0 0 87 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.944 115.1 49.5 -58.8 -49.3 26.4 -8.6 9.3 206 876 A F H X S+ 0 0 40 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.933 113.3 42.8 -57.5 -53.1 27.2 -7.4 5.8 207 877 A T H X S+ 0 0 14 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.905 113.1 54.3 -64.8 -37.8 30.0 -5.0 6.6 208 878 A F H X S+ 0 0 72 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.955 111.8 43.0 -58.1 -52.8 31.5 -7.4 9.1 209 879 A D H X S+ 0 0 79 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.836 113.9 54.2 -62.6 -31.8 31.7 -10.2 6.5 210 880 A L H < S+ 0 0 3 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.875 105.2 51.4 -71.4 -37.8 32.9 -7.6 4.1 211 881 A L H >< S+ 0 0 27 -4,-2.6 3,-1.1 1,-0.2 4,-0.4 0.904 106.5 56.2 -65.4 -40.4 35.8 -6.5 6.3 212 882 A I H 3< S+ 0 0 111 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.922 120.2 28.7 -57.6 -46.9 36.9 -10.1 6.8 213 883 A K T 3X S+ 0 0 94 -4,-1.6 4,-1.6 1,-0.2 3,-0.4 0.113 86.6 116.8-103.2 23.2 37.2 -10.6 3.0 214 884 A S T <4>S+ 0 0 8 -3,-1.1 5,-2.3 1,-0.2 4,-0.4 0.877 74.3 52.6 -56.3 -42.4 38.1 -7.0 2.2 215 885 A H T 45S+ 0 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