==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 25-FEB-07 2OZ7 . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.E.BOHL,Z.WU,D.D.MILLER,C.E.BELL,J.T.DALTON . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 79.1 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 . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 58.2 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 0 1 0 0 0 1 0 0 0 0 1 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 0 127 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 49.1 11.8 26.4 21.2 2 672 A I H > + 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.949 360.0 49.0 -52.4 -59.3 15.1 25.7 22.9 3 673 A F H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 115.5 42.3 -52.3 -48.3 15.3 21.9 22.2 4 674 A L H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.851 108.5 60.0 -70.2 -32.6 14.5 22.3 18.5 5 675 A N H X S+ 0 0 87 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.933 109.1 45.2 -57.4 -44.8 16.8 25.3 18.1 6 676 A V H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.921 109.4 53.2 -66.4 -45.4 19.7 23.1 19.3 7 677 A L H X S+ 0 0 2 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.914 113.8 42.9 -59.1 -42.7 18.8 20.1 17.1 8 678 A E H >< S+ 0 0 121 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.920 112.4 54.6 -68.3 -42.7 18.7 22.3 14.0 9 679 A A H 3< S+ 0 0 85 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.826 112.2 41.3 -61.6 -36.2 21.9 24.1 15.0 10 680 A I H 3< S+ 0 0 35 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.500 82.8 121.2 -92.4 -2.4 24.0 21.0 15.4 11 681 A E S << S- 0 0 64 -3,-0.8 -3,-0.0 -4,-0.6 -4,-0.0 -0.453 70.0-115.2 -65.5 120.6 22.7 19.2 12.4 12 682 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.100 27.5-124.7 -52.8 149.7 25.7 18.5 10.1 13 683 A G - 0 0 59 1,-0.2 31,-0.0 -3,-0.1 -3,-0.0 -0.235 51.3 -50.3 -86.2-175.8 25.8 20.2 6.7 14 684 A V - 0 0 116 -2,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.216 53.7-162.5 -55.6 141.9 26.2 18.5 3.4 15 685 A V - 0 0 28 -3,-0.1 2,-0.2 0, 0.0 26,-0.1 -0.984 4.8-150.5-133.1 120.3 29.0 16.0 3.1 16 686 A C - 0 0 54 -2,-0.4 24,-0.1 79,-0.1 79,-0.0 -0.565 13.3-142.3 -89.9 154.8 30.3 14.8 -0.3 17 687 A A - 0 0 2 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.693 36.3-124.3 -86.3 -18.2 31.9 11.4 -1.0 18 688 A G + 0 0 52 1,-0.3 2,-0.3 18,-0.1 -2,-0.0 0.781 53.2 164.4 77.9 26.9 34.4 12.8 -3.4 19 689 A H - 0 0 11 14,-0.1 2,-1.1 1,-0.1 -1,-0.3 -0.628 38.7-137.7 -83.2 135.1 33.1 10.3 -6.0 20 690 A D > - 0 0 95 -2,-0.3 3,-2.0 1,-0.1 -1,-0.1 -0.798 13.4-162.2 -92.4 98.7 34.0 10.9 -9.6 21 691 A N T 3 S+ 0 0 76 -2,-1.1 -1,-0.1 1,-0.3 4,-0.1 0.474 81.8 70.2 -62.9 -0.9 30.8 10.2 -11.4 22 692 A N T 3 S+ 0 0 153 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.719 79.9 93.3 -87.4 -22.7 32.6 9.8 -14.7 23 693 A Q S < S- 0 0 68 -3,-2.0 -4,-0.0 1,-0.1 2,-0.0 -0.256 91.6 -90.4 -67.9 159.1 34.2 6.5 -13.6 24 694 A P - 0 0 101 0, 0.0 2,-2.0 0, 0.0 -1,-0.1 -0.327 40.0-107.8 -66.9 152.5 32.5 3.2 -14.4 25 695 A D + 0 0 40 -3,-0.1 2,-0.1 4,-0.1 -4,-0.0 -0.487 61.5 156.9 -80.1 68.5 30.0 1.9 -11.8 26 696 A S > - 0 0 47 -2,-2.0 4,-1.9 1,-0.1 5,-0.2 -0.489 56.0-115.7 -90.9 166.5 32.3 -1.0 -10.6 27 697 A F H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 116.7 51.8 -63.9 -43.1 32.1 -2.6 -7.2 28 698 A A H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 110.2 45.8 -58.8 -50.9 35.5 -1.3 -6.4 29 699 A A H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 115.9 45.7 -63.1 -38.7 34.8 2.3 -7.3 30 700 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.869 113.5 50.4 -73.0 -37.0 31.5 2.4 -5.5 31 701 A L H X S+ 0 0 36 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.943 109.4 50.1 -65.1 -48.9 33.0 0.7 -2.4 32 702 A S H X S+ 0 0 76 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.925 115.4 44.4 -55.2 -47.1 35.9 3.1 -2.3 33 703 A S H X S+ 0 0 10 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.911 111.5 51.2 -66.3 -45.4 33.5 6.0 -2.5 34 704 A L H X S+ 0 0 37 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.950 113.5 45.7 -57.5 -50.1 31.0 4.6 0.1 35 705 A N H X S+ 0 0 21 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.892 111.6 50.9 -61.1 -42.1 33.8 4.0 2.6 36 706 A E H X S+ 0 0 82 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.949 113.0 46.4 -61.9 -45.3 35.4 7.4 2.1 37 707 A L H X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.910 111.7 53.3 -61.0 -40.9 31.9 9.0 2.6 38 708 A G H X S+ 0 0 7 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.934 110.0 45.3 -59.0 -50.0 31.5 6.7 5.7 39 709 A E H X S+ 0 0 30 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.891 113.7 50.9 -61.2 -42.6 34.8 7.8 7.3 40 710 A R H X S+ 0 0 93 -4,-2.4 4,-1.1 -5,-0.2 3,-0.3 0.940 111.7 46.2 -62.5 -47.9 34.0 11.5 6.5 41 711 A Q H >X S+ 0 0 23 -4,-2.8 4,-3.1 1,-0.2 3,-0.7 0.919 103.5 62.1 -61.6 -44.5 30.5 11.3 8.0 42 712 A L H 3X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.876 98.3 59.1 -50.0 -39.3 31.7 9.5 11.1 43 713 A V H 3X S+ 0 0 62 -4,-1.3 4,-1.3 -3,-0.3 -1,-0.3 0.926 112.3 38.6 -55.4 -46.5 33.8 12.6 11.8 44 714 A H H < S+ 0 0 13 -4,-2.6 3,-1.3 2,-0.2 4,-0.4 0.970 109.3 46.4 -62.0 -54.5 27.1 15.9 16.4 49 719 A A H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.899 109.8 53.6 -55.4 -45.1 26.5 13.5 19.2 50 720 A K H 3< S+ 0 0 48 -4,-2.1 -1,-0.3 1,-0.3 6,-0.2 0.612 107.5 51.2 -69.2 -13.0 28.7 15.3 21.7 51 721 A A T << S+ 0 0 52 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.367 85.3 114.8-102.5 1.6 26.8 18.6 21.1 52 722 A L S X S- 0 0 5 -3,-1.4 3,-2.2 -4,-0.4 4,-0.4 -0.496 84.2 -87.0 -74.3 138.3 23.5 16.9 21.8 53 723 A P T 3 S- 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.183 109.1 -3.2 -48.4 125.7 21.6 18.1 24.9 54 724 A G T > S+ 0 0 31 -3,-0.1 3,-2.0 1,-0.1 4,-0.2 0.323 94.1 120.7 74.3 -7.3 22.7 16.1 27.9 55 725 A F G X + 0 0 0 -3,-2.2 3,-2.0 1,-0.3 -5,-0.1 0.849 67.2 62.6 -56.9 -37.0 25.0 13.8 26.0 56 726 A R G 3 S+ 0 0 166 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.632 86.8 76.5 -64.0 -12.8 28.0 14.9 28.1 57 727 A N G < S+ 0 0 109 -3,-2.0 -1,-0.3 99,-0.1 2,-0.2 0.610 78.6 92.6 -73.4 -11.9 26.2 13.4 31.1 58 728 A L S < S- 0 0 5 -3,-2.0 5,-0.1 -4,-0.2 96,-0.1 -0.544 93.6 -93.3 -84.0 149.2 27.2 10.0 29.9 59 729 A H >> - 0 0 62 94,-0.2 4,-1.9 -2,-0.2 3,-0.7 -0.345 39.9-113.5 -59.5 139.0 30.4 8.2 31.1 60 730 A V H 3> S+ 0 0 100 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.859 116.2 47.8 -39.3 -53.7 33.2 8.9 28.7 61 731 A D H 3> S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.862 109.8 51.5 -60.5 -40.0 33.4 5.3 27.6 62 732 A D H <> S+ 0 0 6 -3,-0.7 4,-2.8 1,-0.2 5,-0.3 0.800 101.8 64.3 -69.2 -28.6 29.7 5.0 27.0 63 733 A Q H X S+ 0 0 10 -4,-1.9 4,-1.7 -3,-0.3 -2,-0.2 0.969 110.0 34.4 -59.3 -56.0 29.8 8.1 24.9 64 734 A M H X S+ 0 0 63 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.894 117.8 54.3 -68.2 -38.3 32.0 6.6 22.2 65 735 A A H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.962 109.8 45.9 -59.7 -53.2 30.5 3.1 22.5 66 736 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.870 113.0 51.6 -57.9 -38.1 26.9 4.3 22.0 67 737 A I H X S+ 0 0 1 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.2 0.949 112.3 45.4 -63.6 -49.1 28.1 6.4 19.1 68 738 A Q H < S+ 0 0 20 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.802 112.2 51.3 -65.2 -32.5 29.8 3.5 17.4 69 739 A Y H < S+ 0 0 12 -4,-2.4 4,-0.3 -5,-0.2 3,-0.3 0.912 117.1 37.3 -72.0 -43.8 26.9 1.0 18.0 70 740 A S H X S+ 0 0 5 -4,-2.0 4,-2.7 72,-0.2 5,-0.3 0.546 89.0 102.4 -85.0 -10.4 24.2 3.3 16.5 71 741 A W H X S+ 0 0 11 -4,-1.1 4,-2.1 1,-0.2 5,-0.2 0.883 82.0 44.1 -37.3 -63.9 26.5 4.6 13.8 72 742 A M H > S+ 0 0 23 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.907 114.3 48.6 -54.3 -48.8 25.0 2.4 11.0 73 743 A G H > S+ 0 0 5 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.892 110.2 53.1 -59.6 -39.5 21.4 3.0 11.9 74 744 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.875 110.5 46.6 -63.3 -39.6 22.0 6.8 12.1 75 745 A M H X S+ 0 0 31 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.879 111.8 51.2 -71.9 -37.4 23.5 6.8 8.6 76 746 A V H X S+ 0 0 5 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.975 113.7 43.9 -61.8 -53.2 20.6 4.7 7.2 77 747 A F H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.936 117.4 43.5 -58.5 -52.0 18.0 7.0 8.7 78 748 A A H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.917 113.2 52.1 -61.8 -43.9 19.7 10.3 7.7 79 749 A M H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 14,-0.4 0.926 108.1 53.0 -57.4 -43.0 20.5 8.9 4.3 80 750 A G H X S+ 0 0 1 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.852 108.1 50.2 -60.7 -35.9 16.8 8.0 3.9 81 751 A W H X S+ 0 0 37 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.886 109.1 50.6 -70.8 -39.0 15.8 11.6 4.8 82 752 A R H X S+ 0 0 61 -4,-2.3 4,-2.2 1,-0.2 5,-0.5 0.869 108.9 52.4 -65.8 -36.2 18.2 13.1 2.3 83 753 A S H X S+ 0 0 0 -4,-2.2 6,-2.7 -5,-0.2 4,-1.5 0.901 112.7 45.8 -65.3 -40.0 16.7 10.8 -0.4 84 754 A F H X S+ 0 0 46 -4,-1.6 4,-0.8 4,-0.3 -2,-0.2 0.926 118.5 39.0 -68.7 -48.2 13.2 11.9 0.5 85 755 A T H < S+ 0 0 70 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.763 126.2 36.2 -76.0 -26.3 14.0 15.7 0.6 86 756 A N H < S+ 0 0 84 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.922 136.2 9.8 -92.7 -55.8 16.3 15.7 -2.4 87 757 A V H >< S- 0 0 36 -4,-1.5 3,-3.0 -5,-0.5 4,-0.2 -0.016 98.4-108.5-117.7 31.3 15.0 13.2 -4.9 88 758 A N T 3< S- 0 0 126 -4,-0.8 -4,-0.3 1,-0.3 -3,-0.1 0.887 75.2 -63.0 44.3 45.7 11.6 12.4 -3.4 89 759 A S T 3 S+ 0 0 11 -6,-2.7 -1,-0.3 -9,-0.1 -5,-0.2 0.690 106.7 129.6 55.1 20.8 13.0 8.9 -2.5 90 760 A R S < S+ 0 0 188 -3,-3.0 2,-0.3 -7,-0.5 -2,-0.1 0.884 78.2 3.0 -69.7 -39.4 13.4 8.2 -6.2 91 761 A M S S- 0 0 63 -8,-0.3 2,-0.8 -4,-0.2 -4,-0.2 -0.835 91.0 -87.7-137.7 173.4 17.0 7.1 -5.7 92 762 A L E -A 100 0A 0 8,-1.9 8,-3.4 -2,-0.3 2,-1.3 -0.810 36.4-158.3 -92.8 111.9 19.4 6.6 -2.7 93 763 A Y E +A 99 0A 37 -2,-0.8 6,-0.2 -14,-0.4 -11,-0.1 -0.628 27.8 158.8 -91.7 77.6 21.0 10.0 -2.0 94 764 A F E S- 0 0 30 -2,-1.3 -1,-0.2 4,-1.1 5,-0.2 0.877 76.2 -20.0 -65.9 -36.5 24.1 9.0 -0.1 95 765 A A E > S-A 98 0A 0 3,-1.4 3,-1.8 -3,-0.2 -1,-0.3 -0.970 71.5 -96.2-165.5 159.3 25.7 12.3 -1.1 96 766 A P T 3 S+ 0 0 51 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.858 129.5 36.3 -49.7 -39.2 25.3 15.0 -3.7 97 767 A D T 3 S+ 0 0 28 1,-0.2 2,-0.3 -3,-0.1 -81,-0.1 0.376 116.7 57.1 -96.8 2.3 28.0 13.3 -5.7 98 768 A L E < +A 95 0A 0 -3,-1.8 -3,-1.4 2,-0.0 -4,-1.1 -0.670 63.4 157.6-137.4 82.3 27.0 9.8 -4.9 99 769 A V E -A 93 0A 26 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.919 32.1-139.1-108.6 125.6 23.4 9.1 -5.8 100 770 A F E +A 92 0A 1 -8,-3.4 -8,-1.9 -2,-0.5 2,-0.2 -0.742 21.4 179.3 -91.1 123.8 22.4 5.4 -6.3 101 771 A N > - 0 0 64 -2,-0.5 4,-2.2 -10,-0.2 3,-0.2 -0.442 52.9 -78.5-104.7-175.6 20.1 4.5 -9.2 102 772 A E H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.909 130.2 49.7 -52.2 -48.0 18.9 1.0 -9.9 103 773 A Y H > S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 110.3 49.0 -62.1 -39.5 22.2 -0.1 -11.6 104 774 A R H > S+ 0 0 20 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 105.6 58.6 -69.2 -34.9 24.4 1.2 -8.8 105 775 A M H <>S+ 0 0 1 -4,-2.2 5,-0.9 1,-0.2 4,-0.5 0.907 112.0 41.0 -58.5 -41.8 22.2 -0.6 -6.2 106 776 A H H ><5S+ 0 0 91 -4,-1.6 3,-1.2 -5,-0.2 5,-0.3 0.917 113.0 53.8 -70.4 -46.7 23.0 -3.9 -8.1 107 777 A K H 3<5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.814 102.7 57.1 -58.2 -34.7 26.6 -3.0 -8.6 108 778 A S T 3<5S- 0 0 4 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.700 105.5-130.8 -71.0 -20.3 27.2 -2.3 -4.9 109 779 A R T < 5S+ 0 0 146 -3,-1.2 -3,-0.1 -4,-0.5 3,-0.1 0.599 88.0 94.4 78.1 14.0 26.0 -5.9 -4.2 110 780 A M >< + 0 0 32 -5,-0.9 4,-2.7 1,-0.1 5,-0.2 -0.152 41.2 138.0-123.0 34.0 23.6 -4.6 -1.5 111 781 A Y H > S+ 0 0 75 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.882 71.1 46.5 -49.2 -51.0 20.6 -4.4 -3.8 112 782 A S H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 113.1 50.2 -62.4 -39.5 18.0 -5.9 -1.3 113 783 A Q H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 110.5 50.7 -64.5 -39.4 19.3 -3.6 1.5 114 784 A C H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.911 108.7 50.9 -63.9 -42.7 19.1 -0.6 -0.8 115 785 A V H X S+ 0 0 28 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.908 110.5 49.3 -60.9 -42.5 15.5 -1.5 -1.7 116 786 A R H X S+ 0 0 81 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.878 111.9 49.0 -64.6 -36.7 14.7 -1.8 2.0 117 787 A M H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.845 107.1 55.6 -71.4 -32.3 16.3 1.6 2.5 118 788 A R H X S+ 0 0 51 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.927 106.8 50.5 -64.5 -43.4 14.3 3.0 -0.4 119 789 A H H X S+ 0 0 92 -4,-2.2 4,-1.5 1,-0.2 3,-0.3 0.955 108.3 52.6 -56.8 -52.0 11.1 1.8 1.4 120 790 A L H >X S+ 0 0 6 -4,-2.1 3,-1.0 1,-0.2 4,-0.8 0.933 107.7 51.4 -48.6 -51.4 12.3 3.5 4.6 121 791 A S H >X S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.3 4,-0.6 0.864 106.5 54.5 -55.9 -38.3 12.8 6.8 2.7 122 792 A Q H >X S+ 0 0 56 -4,-1.9 4,-2.4 -3,-0.3 3,-0.7 0.771 96.5 65.9 -69.0 -25.0 9.3 6.6 1.2 123 793 A E H S+ 0 0 0 -4,-0.8 5,-2.0 -3,-0.8 -1,-0.2 0.845 109.9 40.5 -63.2 -31.5 9.1 9.9 5.4 125 795 A G H <<5S+ 0 0 27 -3,-0.7 3,-0.5 -4,-0.6 -2,-0.2 0.908 115.7 46.7 -83.0 -45.7 6.7 10.9 2.7 126 796 A W H <5S+ 0 0 162 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.899 118.6 42.2 -63.6 -40.6 3.7 8.7 3.5 127 797 A L T <5S- 0 0 30 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.514 104.4-133.3 -83.0 -6.1 3.9 9.6 7.2 128 798 A Q T 5 - 0 0 156 -3,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.947 30.8-164.5 52.2 52.3 4.5 13.2 6.3 129 799 A I < - 0 0 7 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.0 -0.540 8.3-135.3 -72.9 129.7 7.3 13.4 8.8 130 800 A T > - 0 0 57 -2,-0.3 4,-3.1 -3,-0.1 5,-0.2 -0.420 21.3-111.4 -84.8 158.1 8.4 16.9 9.7 131 801 A P H > S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.873 121.7 53.8 -53.8 -35.7 12.0 18.2 10.0 132 802 A Q H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.937 110.0 43.4 -64.3 -50.1 11.3 18.5 13.7 133 803 A E H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.898 113.2 54.3 -63.3 -41.0 10.1 14.8 14.1 134 804 A F H X S+ 0 0 4 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.953 109.5 46.5 -57.4 -53.0 13.0 13.7 11.9 135 805 A L H X S+ 0 0 15 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.921 115.0 45.5 -58.2 -46.5 15.6 15.5 14.1 136 806 A C H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.887 114.5 48.5 -66.7 -38.5 14.2 14.2 17.3 137 807 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.914 109.0 53.4 -66.6 -42.2 13.8 10.7 16.0 138 808 A K H X S+ 0 0 12 -4,-3.0 4,-0.8 -5,-0.2 -2,-0.2 0.916 108.7 49.4 -60.1 -41.0 17.4 10.7 14.7 139 809 A A H >X S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-0.6 0.916 108.9 53.1 -63.1 -42.2 18.7 11.7 18.1 140 810 A L H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.850 99.2 62.7 -60.9 -35.5 16.6 8.9 19.7 141 811 A L H >< S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.807 94.8 62.1 -59.8 -28.8 18.3 6.4 17.3 142 812 A L H << S+ 0 0 0 -3,-1.0 3,-0.3 -4,-0.8 -1,-0.3 0.818 107.8 43.6 -65.1 -28.9 21.6 7.4 19.0 143 813 A F T << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 -0.117 92.2 90.0-107.4 34.6 20.1 6.0 22.2 144 814 A S S < S+ 0 0 3 -3,-1.3 100,-2.8 1,-0.2 2,-0.3 0.123 77.5 52.2-119.7 22.3 18.5 2.8 20.7 145 815 A I E +B 243 0B 5 98,-0.3 -1,-0.2 -3,-0.3 -75,-0.2 -0.826 59.4 147.9-160.3 117.8 21.3 0.2 21.0 146 816 A I E -B 242 0B 20 96,-1.9 96,-2.4 -2,-0.3 -3,-0.0 -0.940 50.4 -73.8-146.0 166.1 23.3 -0.9 24.0 147 817 A P E > -B 241 0B 23 0, 0.0 3,-1.3 0, 0.0 94,-0.3 -0.337 34.9-133.9 -62.1 140.4 25.0 -3.9 25.6 148 818 A V T 3 S+ 0 0 87 92,-2.4 93,-0.1 1,-0.3 3,-0.1 0.921 109.7 52.0 -60.0 -42.4 22.6 -6.4 27.2 149 819 A D T 3 S- 0 0 160 91,-0.5 -1,-0.3 1,-0.2 92,-0.1 0.500 119.1-112.9 -73.9 -4.7 24.9 -6.4 30.3 150 820 A G < - 0 0 30 -3,-1.3 -1,-0.2 3,-0.1 2,-0.1 0.042 23.4 -78.9 95.3 159.8 24.7 -2.6 30.5 151 821 A L > - 0 0 17 -4,-0.1 3,-0.9 -3,-0.1 4,-0.1 -0.462 47.1 -98.6 -93.2 166.4 26.9 0.5 30.1 152 822 A K T 3 S+ 0 0 127 1,-0.3 2,-0.5 -2,-0.1 3,-0.1 0.929 125.3 21.1 -48.1 -51.9 29.3 2.0 32.7 153 823 A N T 3> S+ 0 0 48 1,-0.1 4,-1.4 -94,-0.1 -1,-0.3 -0.747 75.5 164.4-120.0 78.6 26.6 4.4 33.7 154 824 A Q H <> S+ 0 0 44 -3,-0.9 4,-2.5 -2,-0.5 5,-0.2 0.833 72.3 58.3 -66.0 -33.5 23.3 2.8 32.6 155 825 A K H > S+ 0 0 179 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.858 104.0 50.1 -68.3 -34.4 21.1 5.0 34.7 156 826 A F H > S+ 0 0 111 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 112.3 49.6 -68.4 -40.2 22.4 8.2 33.1 157 827 A F H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 5,-0.2 0.924 110.5 48.4 -62.1 -47.0 21.7 6.7 29.7 158 828 A D H X S+ 0 0 70 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.894 111.2 51.6 -61.4 -40.3 18.2 5.6 30.6 159 829 A E H X S+ 0 0 99 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.950 112.9 45.0 -59.5 -51.0 17.5 9.0 32.0 160 830 A L H X S+ 0 0 12 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.955 112.3 49.7 -59.5 -54.5 18.7 10.6 28.8 161 831 A R H X S+ 0 0 28 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.897 110.7 52.0 -51.6 -45.3 16.8 8.2 26.4 162 832 A M H X S+ 0 0 103 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.899 107.3 52.1 -59.9 -42.4 13.6 8.8 28.4 163 833 A N H X S+ 0 0 71 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.821 108.0 51.4 -64.8 -32.1 14.0 12.6 28.1 164 834 A Y H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.828 109.0 50.3 -74.8 -30.6 14.4 12.3 24.4 165 835 A I H X S+ 0 0 34 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.885 108.5 53.6 -70.5 -38.5 11.2 10.3 24.2 166 836 A K H X S+ 0 0 78 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.878 108.3 50.0 -62.0 -40.1 9.5 13.0 26.3 167 837 A E H X S+ 0 0 30 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.925 107.5 51.9 -66.4 -43.6 10.7 15.5 23.7 168 838 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.833 108.8 54.4 -60.9 -28.2 9.3 13.4 20.9 169 839 A D H X S+ 0 0 66 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.902 105.7 50.0 -70.4 -42.3 6.1 13.5 23.0 170 840 A R H X S+ 0 0 132 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.907 108.9 53.2 -63.1 -41.0 6.0 17.3 23.2 171 841 A I H X S+ 0 0 22 -4,-2.3 4,-0.6 2,-0.2 3,-0.4 0.974 111.5 45.1 -55.9 -58.2 6.5 17.5 19.4 172 842 A I H < S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.902 119.0 41.2 -52.7 -49.5 3.5 15.2 18.8 173 843 A A H >< S+ 0 0 46 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.676 88.5 91.3 -76.8 -18.6 1.2 16.9 21.3 174 844 A C H 3< S+ 0 0 85 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.1 0.882 108.8 16.4 -43.7 -48.4 2.3 20.5 20.4 175 845 A K T 3< S+ 0 0 175 -4,-0.6 2,-0.5 -3,-0.5 -1,-0.3 0.144 114.8 84.2-113.3 17.4 -0.6 20.7 17.8 176 846 A R < + 0 0 73 -3,-1.4 -1,-0.0 1,-0.1 6,-0.0 -0.973 40.5 170.0-125.3 120.6 -2.7 17.7 19.0 177 847 A K + 0 0 197 -2,-0.5 -1,-0.1 1,-0.1 -4,-0.1 0.747 60.2 78.2 -98.7 -28.8 -5.2 18.1 21.8 178 848 A N S >> S- 0 0 93 1,-0.1 3,-1.4 2,-0.0 4,-1.3 -0.758 74.5-142.0 -88.3 114.8 -7.1 14.8 21.5 179 849 A P H 3> S+ 0 0 97 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.803 97.9 59.9 -38.5 -48.2 -5.0 11.9 23.2 180 850 A T H 3> S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 102.8 52.5 -53.1 -44.1 -6.0 9.3 20.6 181 851 A S H <> S+ 0 0 33 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.921 112.1 46.5 -57.9 -44.7 -4.5 11.5 17.8 182 852 A C H X S+ 0 0 22 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.932 110.0 51.7 -63.7 -48.8 -1.3 11.7 19.8 183 853 A S H X S+ 0 0 82 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.878 108.4 53.1 -57.0 -39.4 -1.2 7.9 20.6 184 854 A R H X S+ 0 0 162 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.916 110.2 46.4 -64.3 -43.2 -1.6 7.2 16.9 185 855 A R H X S+ 0 0 19 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.910 110.9 51.4 -66.7 -41.6 1.3 9.4 15.9 186 856 A F H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.912 109.3 52.1 -61.2 -41.9 3.6 7.9 18.6 187 857 A Y H X S+ 0 0 124 -4,-2.2 4,-1.9 -5,-0.2 5,-0.2 0.954 110.8 47.4 -57.8 -51.4 2.7 4.5 17.3 188 858 A Q H X S+ 0 0 67 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.910 113.7 46.6 -57.0 -46.9 3.7 5.4 13.8 189 859 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.882 112.3 48.6 -68.3 -37.3 6.9 7.0 14.7 190 860 A T H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 56,-0.3 0.818 110.2 52.5 -72.4 -28.1 8.1 4.2 17.0 191 861 A K H X S+ 0 0 87 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.915 111.2 47.3 -71.5 -42.5 7.3 1.7 14.3 192 862 A L H X S+ 0 0 6 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.959 111.1 51.0 -62.5 -48.8 9.4 3.7 11.9 193 863 A L H >X S+ 0 0 4 -4,-2.6 3,-1.3 1,-0.2 4,-0.7 0.925 110.1 50.2 -54.1 -47.2 12.2 3.9 14.4 194 864 A D H >< S+ 0 0 5 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.909 100.6 63.9 -56.9 -44.3 12.1 0.2 14.9 195 865 A S H 3X S+ 0 0 37 -4,-2.2 4,-0.8 1,-0.3 -1,-0.2 0.661 93.0 63.9 -58.1 -16.7 12.2 -0.5 11.2 196 866 A V H S+ 0 0 30 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.897 112.9 48.4 -57.9 -38.3 16.6 -4.7 11.0 199 869 A I H X S+ 0 0 6 -4,-0.8 4,-2.4 2,-0.2 5,-0.2 0.947 110.6 49.6 -65.8 -47.5 18.1 -2.8 8.0 200 870 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.868 106.4 58.4 -59.5 -35.7 21.2 -1.7 10.0 201 871 A R H X S+ 0 0 109 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.946 108.1 44.3 -59.9 -47.7 21.6 -5.4 11.2 202 872 A E H X S+ 0 0 67 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.910 114.1 49.5 -64.1 -40.1 21.9 -6.6 7.6 203 873 A L H X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.836 109.1 53.8 -66.7 -30.8 24.3 -3.7 6.8 204 874 A H H X S+ 0 0 6 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.928 110.9 45.3 -67.2 -44.7 26.3 -4.6 9.8 205 875 A Q H X S+ 0 0 67 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.931 113.2 49.8 -63.1 -47.5 26.5 -8.2 8.6 206 876 A F H X S+ 0 0 52 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.925 112.3 47.8 -58.8 -46.1 27.4 -7.1 5.1 207 877 A A H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.921 112.2 48.7 -61.9 -46.3 30.1 -4.8 6.4 208 878 A F H X S+ 0 0 59 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.966 112.0 48.7 -58.3 -54.9 31.6 -7.4 8.7 209 879 A D H X S+ 0 0 82 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.898 113.1 47.6 -51.9 -46.4 31.7 -10.0 5.9 210 880 A L H X S+ 0 0 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