==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 04-JUN-11 2YLQ . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.A.LACK,P.AXERIO,P.TAVASSOLI,K.KUCHENBECKER,F.Q.HAN,K.H.CHA . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 75.1 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 . 136 54.6 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 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,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 32.4 11.2 -24.7 -22.2 2 672 A I H > + 0 0 138 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.898 360.0 53.8 -52.6 -46.9 14.7 -24.9 -23.7 3 673 A F H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 112.1 43.6 -57.7 -44.8 15.3 -21.1 -23.1 4 674 A L H > S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.867 106.3 60.7 -66.0 -41.9 14.4 -21.4 -19.4 5 675 A N H X S+ 0 0 92 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.923 109.2 46.0 -46.0 -47.2 16.4 -24.6 -18.9 6 676 A V H X S+ 0 0 42 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.933 111.6 47.3 -68.7 -49.4 19.4 -22.5 -20.0 7 677 A L H X S+ 0 0 2 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.889 115.0 48.4 -58.7 -39.4 18.7 -19.5 -17.8 8 678 A E H < S+ 0 0 122 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.3 48.4 -70.6 -33.5 18.1 -21.8 -14.8 9 679 A A H < S+ 0 0 82 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.886 112.7 44.8 -75.2 -37.6 21.3 -23.7 -15.6 10 680 A I H < S+ 0 0 39 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.564 80.4 126.2 -87.5 -8.3 23.6 -20.6 -16.0 11 681 A E < - 0 0 65 -4,-0.9 -3,-0.0 -5,-0.2 -4,-0.0 -0.293 62.2-122.3 -55.3 115.5 22.3 -18.8 -12.9 12 682 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.091 24.7-129.4 -60.5 158.2 25.3 -17.9 -10.6 13 683 A G - 0 0 59 1,-0.3 2,-0.1 31,-0.0 31,-0.0 -0.033 48.7 -42.2 -91.5-162.5 25.3 -19.1 -7.0 14 684 A V - 0 0 115 81,-0.0 2,-0.4 1,-0.0 -1,-0.3 -0.388 54.6-160.4 -58.8 134.2 25.8 -17.4 -3.7 15 685 A V - 0 0 23 -3,-0.1 2,-0.2 -2,-0.1 26,-0.1 -0.990 9.7-141.8-121.4 123.2 28.7 -14.9 -3.9 16 686 A C - 0 0 62 -2,-0.4 24,-0.1 79,-0.1 79,-0.0 -0.597 5.7-146.6 -88.3 145.7 30.3 -13.9 -0.5 17 687 A A - 0 0 1 -2,-0.2 -1,-0.1 2,-0.1 23,-0.1 0.812 28.8-132.0 -76.4 -32.2 31.4 -10.3 0.2 18 688 A G + 0 0 49 1,-0.3 2,-0.1 18,-0.1 80,-0.1 0.541 46.8 164.0 88.1 8.9 34.4 -11.3 2.4 19 689 A H - 0 0 16 1,-0.1 2,-1.1 14,-0.1 -1,-0.3 -0.393 41.0-132.5 -65.1 132.8 33.3 -8.7 5.0 20 690 A D > - 0 0 101 1,-0.2 3,-0.8 -2,-0.1 -1,-0.1 -0.770 19.4-170.3 -82.1 97.0 34.8 -9.0 8.5 21 691 A N T 3 S+ 0 0 78 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.593 78.5 72.7 -67.5 -12.4 31.6 -8.7 10.6 22 692 A N T 3 S+ 0 0 153 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.904 81.4 83.2 -63.1 -46.2 33.9 -8.4 13.7 23 693 A Q S < S- 0 0 35 -3,-0.8 2,-0.2 1,-0.1 -4,-0.0 -0.114 97.4 -93.7 -47.6 151.7 35.0 -4.9 12.7 24 694 A P - 0 0 113 0, 0.0 2,-1.7 0, 0.0 5,-0.2 -0.547 44.6 -96.8 -75.3 144.4 32.6 -2.1 13.8 25 695 A D + 0 0 35 -2,-0.2 2,-0.3 -4,-0.1 3,-0.1 -0.386 63.9 159.5 -61.4 84.3 30.0 -0.9 11.2 26 696 A S > - 0 0 48 -2,-1.7 4,-2.9 1,-0.1 5,-0.2 -0.727 51.5-118.5-104.0 162.9 31.8 2.1 9.7 27 697 A F H > S+ 0 0 12 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.967 114.0 51.1 -53.2 -60.7 31.3 3.8 6.3 28 698 A A H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 192,-0.3 0.888 117.2 39.2 -45.8 -49.5 34.9 3.0 5.2 29 699 A A H > S+ 0 0 28 2,-0.2 4,-1.6 -5,-0.2 -1,-0.2 0.874 114.9 51.3 -77.1 -39.3 34.5 -0.7 6.0 30 700 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.958 116.4 42.1 -58.4 -48.6 30.9 -1.0 4.8 31 701 A L H X S+ 0 0 8 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.849 110.6 53.3 -72.8 -38.4 31.7 0.6 1.4 32 702 A S H X S+ 0 0 27 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.893 112.2 48.1 -59.2 -39.9 35.1 -1.2 0.8 33 703 A S H X S+ 0 0 19 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.894 109.5 50.0 -67.6 -43.3 33.2 -4.5 1.3 34 704 A L H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.892 112.5 50.9 -58.0 -43.0 30.3 -3.5 -1.0 35 705 A N H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.894 109.5 47.3 -60.2 -47.3 33.1 -2.6 -3.5 36 706 A E H X S+ 0 0 72 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.904 112.0 52.6 -61.0 -40.2 34.9 -6.0 -3.1 37 707 A L H X S+ 0 0 7 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.914 107.8 50.9 -59.5 -45.2 31.5 -7.6 -3.5 38 708 A G H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.943 109.6 49.6 -57.5 -47.5 31.0 -5.7 -6.7 39 709 A E H X S+ 0 0 30 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.927 114.0 45.4 -60.9 -45.4 34.3 -6.8 -8.1 40 710 A R H X S+ 0 0 95 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.916 111.5 51.2 -64.0 -48.1 33.5 -10.5 -7.2 41 711 A Q H X S+ 0 0 19 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.886 102.8 62.3 -58.2 -34.0 30.0 -10.3 -8.6 42 712 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.912 98.6 54.6 -58.0 -46.3 31.5 -8.8 -11.9 43 713 A V H X S+ 0 0 62 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.918 111.7 44.9 -53.3 -42.2 33.5 -12.0 -12.5 44 714 A H H X S+ 0 0 74 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.822 109.7 54.4 -76.9 -32.4 30.3 -14.0 -12.3 45 715 A V H X S+ 0 0 16 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.922 107.3 51.0 -62.0 -49.1 28.3 -11.6 -14.5 46 716 A V H X S+ 0 0 55 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.952 114.1 44.9 -51.9 -47.8 30.9 -11.9 -17.3 47 717 A K H X S+ 0 0 144 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.896 115.9 45.4 -69.9 -41.8 30.7 -15.7 -17.1 48 718 A W H >< S+ 0 0 12 -4,-2.7 3,-0.8 2,-0.2 4,-0.3 0.949 111.6 52.9 -62.3 -49.6 26.9 -15.7 -16.9 49 719 A A H >< S+ 0 0 0 -4,-3.2 3,-2.4 1,-0.3 6,-0.2 0.926 105.9 51.8 -55.7 -55.5 26.5 -13.2 -19.8 50 720 A K H 3< S+ 0 0 92 -4,-2.3 6,-0.3 1,-0.3 -1,-0.3 0.743 108.7 52.8 -54.9 -26.7 28.7 -15.1 -22.3 51 721 A A T << S+ 0 0 50 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.429 84.4 111.4 -87.8 0.9 26.7 -18.3 -21.6 52 722 A L S X S- 0 0 5 -3,-2.4 3,-1.4 -4,-0.3 4,-0.4 -0.453 86.4 -89.2 -72.3 150.3 23.4 -16.5 -22.4 53 723 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.364 108.2 0.8 -58.5 125.3 21.6 -17.6 -25.5 54 724 A G T > S+ 0 0 28 -2,-0.2 3,-1.2 -4,-0.1 4,-0.4 0.208 95.2 117.8 89.5 -13.6 22.8 -15.5 -28.6 55 725 A F G X + 0 0 0 -3,-1.4 3,-1.2 1,-0.3 -5,-0.1 0.789 69.0 54.6 -62.2 -35.5 25.2 -13.4 -26.6 56 726 A R G 3 S+ 0 0 163 -4,-0.4 -1,-0.3 -6,-0.3 7,-0.1 0.699 93.4 74.4 -77.1 -17.5 28.5 -14.4 -28.4 57 727 A N G < S+ 0 0 121 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.689 80.3 91.8 -52.1 -32.0 26.7 -13.4 -31.7 58 728 A L S < S- 0 0 4 -3,-1.2 5,-0.1 -4,-0.4 96,-0.1 -0.476 100.0 -89.4 -69.0 148.8 27.3 -9.8 -30.6 59 729 A H > - 0 0 67 94,-0.2 4,-1.9 -2,-0.1 3,-0.4 -0.261 41.6-116.2 -54.0 144.0 30.4 -8.1 -31.7 60 730 A V H > S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.813 113.4 48.3 -61.7 -38.1 33.1 -8.8 -29.1 61 731 A D H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.811 109.7 54.5 -70.7 -31.0 33.6 -5.1 -28.0 62 732 A D H > S+ 0 0 5 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.848 102.1 58.3 -68.6 -38.9 29.8 -4.7 -27.8 63 733 A Q H X S+ 0 0 21 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.953 109.9 42.8 -49.6 -55.8 29.8 -7.7 -25.4 64 734 A M H X S+ 0 0 99 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.884 114.2 52.3 -59.2 -44.3 32.2 -5.9 -23.0 65 735 A A H X S+ 0 0 12 -4,-2.0 4,-1.7 2,-0.2 5,-0.2 0.918 107.9 47.5 -64.7 -48.9 30.3 -2.6 -23.4 66 736 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.912 114.7 47.8 -65.3 -38.2 26.8 -3.9 -22.5 67 737 A I H X S+ 0 0 11 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.932 112.0 50.7 -58.0 -47.2 28.2 -5.8 -19.5 68 738 A Q H < S+ 0 0 24 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.742 116.1 40.4 -72.6 -21.1 30.1 -2.7 -18.4 69 739 A Y H < S+ 0 0 15 -4,-1.7 4,-0.3 76,-0.2 3,-0.3 0.800 119.6 42.1 -88.0 -33.1 27.0 -0.4 -18.6 70 740 A S H X S+ 0 0 4 -4,-2.1 4,-2.0 -5,-0.2 3,-0.4 0.580 81.2 96.0-100.7 -6.9 24.4 -2.7 -17.2 71 741 A W H X S+ 0 0 5 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.875 81.5 56.5 -51.6 -46.3 26.1 -4.4 -14.2 72 742 A M H > S+ 0 0 21 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.916 111.3 42.6 -52.1 -51.8 24.7 -2.0 -11.7 73 743 A G H > S+ 0 0 6 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.862 114.3 51.9 -64.9 -35.9 21.1 -2.7 -12.7 74 744 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.995 114.9 40.7 -64.1 -60.4 21.7 -6.5 -12.9 75 745 A M H X S+ 0 0 20 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.837 114.5 51.7 -51.1 -44.6 23.3 -6.7 -9.4 76 746 A V H X S+ 0 0 10 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.936 112.7 46.9 -61.9 -43.6 20.7 -4.4 -7.8 77 747 A F H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.913 113.2 46.0 -67.3 -43.4 17.9 -6.4 -9.2 78 748 A A H X S+ 0 0 15 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.861 110.4 55.9 -66.1 -37.1 19.3 -9.8 -8.2 79 749 A M H X S+ 0 0 4 -4,-2.4 4,-2.3 -5,-0.2 14,-0.4 0.895 106.3 50.3 -62.8 -40.8 20.1 -8.4 -4.8 80 750 A G H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.884 110.6 49.7 -62.4 -41.9 16.4 -7.4 -4.4 81 751 A W H X S+ 0 0 41 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.973 111.9 47.4 -62.6 -51.9 15.3 -10.9 -5.4 82 752 A R H X S+ 0 0 56 -4,-3.0 4,-2.2 1,-0.3 5,-0.3 0.872 112.0 51.4 -51.6 -42.5 17.7 -12.4 -2.9 83 753 A S H X S+ 0 0 0 -4,-2.3 6,-2.8 1,-0.2 4,-1.3 0.882 109.7 49.8 -67.5 -35.8 16.4 -10.0 -0.3 84 754 A F H X S+ 0 0 48 -4,-2.2 4,-0.6 4,-0.3 -2,-0.2 0.892 116.3 40.1 -70.1 -36.9 12.9 -11.0 -1.1 85 755 A T H < S+ 0 0 75 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.795 122.5 35.9 -86.6 -30.2 13.5 -14.8 -0.8 86 756 A N H < S+ 0 0 85 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.549 136.6 13.1 -98.0 -18.1 15.9 -14.9 2.3 87 757 A V H >< S- 0 0 36 -4,-1.3 3,-3.0 -5,-0.3 4,-0.3 0.079 97.2-110.5-151.6 28.5 14.5 -12.2 4.5 88 758 A N T 3< S- 0 0 128 -4,-0.6 -4,-0.3 1,-0.3 -3,-0.1 0.772 73.7 -69.2 35.3 36.8 11.1 -11.2 3.0 89 759 A S T 3 S+ 0 0 2 -6,-2.8 -1,-0.3 -7,-0.1 -5,-0.2 0.606 104.2 126.9 68.6 14.3 12.7 -7.9 1.9 90 760 A R S < S+ 0 0 64 -3,-3.0 2,-0.2 -7,-0.3 -2,-0.1 0.817 79.9 10.5 -72.2 -32.4 13.0 -6.7 5.6 91 761 A M S S- 0 0 63 -4,-0.3 2,-0.7 -8,-0.2 10,-0.2 -0.785 91.7 -90.2-133.7 178.0 16.8 -6.0 5.1 92 762 A L E -A 100 0A 0 8,-2.2 8,-3.1 -2,-0.2 2,-1.4 -0.867 29.8-159.5-103.4 115.0 19.2 -5.8 2.2 93 763 A Y E +A 99 0A 44 -2,-0.7 6,-0.2 -14,-0.4 -11,-0.1 -0.588 27.8 157.3 -90.7 68.5 20.7 -9.2 1.5 94 764 A F E S- 0 0 18 -2,-1.4 -1,-0.2 4,-0.9 5,-0.2 0.945 76.0 -21.8 -55.5 -45.4 23.8 -8.0 -0.4 95 765 A A E > S-A 98 0A 1 3,-0.9 3,-2.5 -3,-0.3 -1,-0.3 -0.957 70.4 -98.5-160.6 157.2 25.5 -11.3 0.5 96 766 A P T 3 S+ 0 0 56 0, 0.0 3,-0.3 0, 0.0 -80,-0.1 0.854 129.3 41.7 -57.8 -27.0 25.2 -13.9 3.3 97 767 A D T 3 S+ 0 0 31 1,-0.2 -78,-0.1 -4,-0.1 -81,-0.1 0.153 116.2 50.0-100.5 16.7 28.1 -12.1 5.1 98 768 A L E < +A 95 0A 0 -3,-2.5 -4,-0.9 -80,-0.1 -3,-0.9 -0.435 63.8 158.8-154.1 69.9 26.8 -8.5 4.3 99 769 A V E -A 93 0A 36 -3,-0.3 2,-0.7 -6,-0.2 -6,-0.2 -0.840 32.9-140.1 -91.6 128.5 23.2 -8.1 5.3 100 770 A F E -A 92 0A 0 -8,-3.1 -8,-2.2 -2,-0.5 2,-0.1 -0.874 20.7-177.9 -98.0 117.6 22.2 -4.4 5.8 101 771 A N > - 0 0 67 -2,-0.7 4,-1.7 -10,-0.2 -10,-0.1 -0.277 52.7 -80.9 -86.6-173.7 19.8 -3.7 8.8 102 772 A E H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.911 130.1 53.9 -65.5 -37.3 18.6 -0.2 9.4 103 773 A Y H > S+ 0 0 137 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.958 107.8 49.9 -59.6 -54.0 21.8 0.9 11.2 104 774 A R H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.828 106.2 57.5 -54.5 -35.6 24.0 -0.3 8.3 105 775 A M H <>S+ 0 0 0 -4,-1.7 5,-1.3 2,-0.2 6,-0.3 0.927 111.7 41.6 -61.0 -47.6 21.8 1.7 5.9 106 776 A H H ><5S+ 0 0 125 -4,-2.0 3,-1.5 -3,-0.2 5,-0.3 0.924 114.7 50.8 -60.3 -48.4 22.5 4.9 7.9 107 777 A K H 3<5S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.799 102.2 59.6 -63.5 -35.0 26.2 4.2 8.4 108 778 A S T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.484 106.3-129.0 -68.4 -6.9 26.8 3.5 4.6 109 779 A R T < 5S+ 0 0 158 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.782 88.1 97.5 57.4 32.7 25.6 7.1 4.0 110 780 A M >< + 0 0 8 -5,-1.3 4,-2.6 1,-0.1 5,-0.3 -0.016 35.5 136.8-131.5 25.0 23.2 5.7 1.4 111 781 A Y H > S+ 0 0 82 -6,-0.3 4,-2.2 -5,-0.3 5,-0.2 0.862 73.3 44.3 -53.3 -46.1 20.1 5.4 3.5 112 782 A S H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 112.7 52.1 -71.3 -37.5 17.6 6.8 0.8 113 783 A Q H > S+ 0 0 31 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.916 110.6 48.6 -56.6 -44.1 19.2 4.7 -1.9 114 784 A C H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.878 107.7 54.8 -64.7 -37.7 18.7 1.6 0.3 115 785 A V H X S+ 0 0 33 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.924 109.1 48.5 -59.1 -42.3 15.1 2.6 1.0 116 786 A R H X S+ 0 0 89 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.916 112.4 47.7 -67.3 -40.7 14.7 2.7 -2.8 117 787 A M H X S+ 0 0 9 -4,-2.5 4,-3.5 2,-0.2 -2,-0.2 0.934 108.8 53.8 -64.9 -41.0 16.3 -0.8 -3.2 118 788 A R H X S+ 0 0 42 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.930 108.7 50.1 -61.5 -41.1 14.1 -2.1 -0.3 119 789 A H H X S+ 0 0 103 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.920 110.6 49.0 -57.5 -47.8 11.0 -0.9 -2.3 120 790 A L H X S+ 0 0 6 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.947 109.0 54.2 -54.9 -51.6 12.3 -2.6 -5.4 121 791 A S H >< S+ 0 0 0 -4,-3.5 3,-0.5 1,-0.2 4,-0.4 0.869 107.1 50.6 -47.3 -42.0 12.8 -5.7 -3.3 122 792 A Q H >X S+ 0 0 65 -4,-1.9 4,-2.9 1,-0.2 3,-1.4 0.826 93.4 71.7 -75.8 -32.2 9.2 -5.6 -2.1 123 793 A E H 3X S+ 0 0 70 -4,-1.9 4,-3.3 -3,-0.3 5,-0.4 0.907 88.8 64.6 -47.0 -41.4 7.8 -5.3 -5.6 124 794 A F H <<>S+ 0 0 0 -4,-0.9 5,-2.1 -3,-0.5 4,-0.4 0.871 111.3 35.9 -48.9 -40.5 8.8 -9.0 -6.0 125 795 A G H X45S+ 0 0 26 -3,-1.4 3,-0.6 -4,-0.4 -2,-0.2 0.935 115.9 52.0 -77.7 -51.2 6.3 -9.8 -3.3 126 796 A W H 3<5S+ 0 0 197 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.899 119.9 36.8 -53.8 -41.6 3.6 -7.3 -4.2 127 797 A L T 3<5S- 0 0 23 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.603 103.0-132.2 -86.5 -12.1 3.7 -8.6 -7.8 128 798 A Q T < 5 - 0 0 159 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.949 32.2-162.3 60.0 46.1 4.2 -12.3 -6.8 129 799 A I < - 0 0 9 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.0 -0.393 7.1-135.6 -62.2 132.9 7.1 -12.6 -9.3 130 800 A T > - 0 0 50 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.507 21.2-112.5 -83.9 157.6 7.9 -16.2 -10.2 131 801 A P H > S+ 0 0 73 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.819 120.6 53.4 -53.1 -33.5 11.5 -17.5 -10.5 132 802 A Q H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.919 109.9 45.0 -66.7 -48.7 10.9 -17.9 -14.2 133 803 A E H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 113.0 53.6 -61.7 -42.2 9.8 -14.2 -14.6 134 804 A F H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.909 108.6 47.4 -61.2 -44.1 12.7 -13.1 -12.5 135 805 A L H X S+ 0 0 19 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.877 114.8 45.6 -69.2 -35.1 15.3 -14.9 -14.6 136 806 A C H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.902 112.0 50.6 -79.7 -38.1 14.0 -13.6 -17.8 137 807 A M H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.904 110.4 50.2 -58.2 -42.2 13.6 -10.1 -16.5 138 808 A K H X S+ 0 0 10 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.911 108.0 52.8 -68.9 -42.1 17.2 -10.2 -15.3 139 809 A A H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.912 107.8 53.2 -53.6 -41.8 18.4 -11.4 -18.7 140 810 A L H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.3 -2,-0.2 0.837 97.6 63.5 -69.1 -31.3 16.6 -8.4 -20.3 141 811 A L H >< S+ 0 0 4 -4,-1.7 3,-1.3 1,-0.2 -1,-0.3 0.819 91.6 65.7 -59.4 -28.4 18.4 -6.0 -18.0 142 812 A L T << S+ 0 0 0 -3,-1.0 3,-0.3 -4,-0.9 -1,-0.2 0.840 107.9 42.5 -58.6 -27.1 21.6 -7.1 -19.7 143 813 A F T < S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 -0.157 91.8 89.8-111.7 36.3 20.1 -5.5 -22.9 144 814 A S S < S+ 0 0 5 -3,-1.3 100,-3.0 1,-0.2 2,-0.3 0.253 76.3 52.8-123.8 12.1 18.7 -2.3 -21.4 145 815 A I E +B 243 0B 4 98,-0.3 -1,-0.2 -3,-0.3 -76,-0.2 -0.929 58.6 151.7-154.6 125.0 21.4 0.4 -21.6 146 816 A I E -B 242 0B 22 96,-2.2 96,-2.8 -2,-0.3 2,-0.1 -0.919 49.0 -79.2-148.3 162.4 23.4 1.5 -24.6 147 817 A P E > -B 241 0B 20 0, 0.0 3,-1.5 0, 0.0 94,-0.3 -0.487 39.9-126.2 -65.1 142.9 25.3 4.5 -26.2 148 818 A V T 3 S+ 0 0 96 92,-2.2 93,-0.1 1,-0.3 3,-0.1 0.807 110.4 53.3 -62.4 -29.9 22.9 7.0 -27.8 149 819 A D T 3 S- 0 0 150 91,-0.5 -1,-0.3 1,-0.2 92,-0.1 0.060 118.3-105.5 -95.3 31.4 24.9 6.7 -31.1 150 820 A G < - 0 0 22 -3,-1.5 -1,-0.2 4,-0.1 2,-0.1 0.271 29.7 -81.0 76.4 161.0 24.7 2.9 -31.2 151 821 A L > - 0 0 21 -3,-0.1 3,-0.7 -4,-0.1 4,-0.1 -0.390 49.8 -94.8 -82.5 172.2 26.9 -0.1 -30.6 152 822 A K T 3 S+ 0 0 156 1,-0.3 2,-0.4 -2,-0.1 -1,-0.0 0.940 125.3 21.3 -56.5 -54.0 29.5 -1.5 -33.1 153 823 A N T 3> S+ 0 0 48 1,-0.1 4,-1.5 -94,-0.1 -1,-0.3 -0.719 75.1 162.7-116.5 86.7 26.9 -4.0 -34.4 154 824 A Q H <> + 0 0 43 -3,-0.7 4,-2.6 -2,-0.4 5,-0.1 0.764 69.2 63.4 -69.5 -32.4 23.5 -2.5 -33.4 155 825 A K H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 105.7 46.3 -64.3 -42.9 21.4 -4.6 -35.8 156 826 A F H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 111.0 52.4 -63.3 -44.0 22.5 -7.8 -33.9 157 827 A F H X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 5,-0.2 0.932 108.5 51.9 -57.5 -43.6 21.8 -6.1 -30.5 158 828 A D H X S+ 0 0 87 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.902 111.5 44.6 -62.0 -42.6 18.3 -5.2 -31.7 159 829 A E H X S+ 0 0 120 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.921 114.9 50.1 -66.6 -40.8 17.3 -8.7 -32.8 160 830 A L H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.968 111.5 46.2 -62.4 -51.9 18.8 -10.1 -29.6 161 831 A R H X S+ 0 0 27 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.919 110.4 54.6 -59.4 -43.5 17.0 -7.8 -27.4 162 832 A M H X S+ 0 0 104 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.908 106.9 52.2 -55.9 -41.3 13.7 -8.4 -29.3 163 833 A N H X S+ 0 0 72 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.903 107.2 51.1 -64.4 -39.4 14.2 -12.2 -28.7 164 834 A Y H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 109.8 50.5 -64.1 -37.8 14.6 -11.6 -25.0 165 835 A I H X S+ 0 0 41 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.918 109.3 51.0 -60.8 -42.2 11.4 -9.6 -25.0 166 836 A K H X S+ 0 0 43 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.914 108.9 53.4 -64.0 -36.8 9.6 -12.4 -26.8 167 837 A E H X S+ 0 0 41 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.890 108.3 46.3 -68.4 -43.2 10.9 -14.8 -24.2 168 838 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.865 110.3 54.3 -62.1 -40.8 9.5 -12.9 -21.2 169 839 A D H X S+ 0 0 77 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.921 108.9 50.1 -63.8 -39.6 6.2 -12.5 -23.0 170 840 A R H X S+ 0 0 135 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.914 106.1 54.5 -55.5 -51.9 6.2 -16.4 -23.4 171 841 A I H < S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 112.0 45.1 -56.1 -37.9 7.0 -17.0 -19.7 172 842 A I H < S+ 0 0 0 -4,-1.7 4,-0.3 -5,-0.1 -1,-0.2 0.921 115.0 49.1 -64.5 -46.8 3.9 -14.9 -18.9 173 843 A A H >< S+ 0 0 53 -4,-1.9 2,-1.9 2,-0.2 3,-0.7 0.769 86.6 80.2 -78.6 -33.5 1.8 -16.7 -21.5 174 844 A C T 3< S+ 0 0 94 -4,-3.1 -1,-0.1 1,-0.2 -4,-0.0 -0.618 103.4 38.7 -67.3 87.7 2.5 -20.3 -20.7 175 845 A K T 3 S+ 0 0 169 -2,-1.9 2,-0.2 1,-0.3 -1,-0.2 0.066 97.5 72.3 163.3 -46.3 -0.1 -20.0 -17.9 176 846 A R < - 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