==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR 27-SEP-06 2IHQ . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.S.SACK . 248 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 75.8 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 . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 54.0 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 0 1 1 0 0 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 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 0 132 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.1 10.4 25.6 20.2 2 672 A I H > + 0 0 132 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.931 360.0 45.6 -61.9 -48.7 13.8 25.4 22.0 3 673 A F H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 116.0 44.1 -60.5 -51.5 14.2 21.6 21.3 4 674 A L H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.856 108.7 60.7 -64.0 -34.6 13.3 21.8 17.6 5 675 A N H X S+ 0 0 94 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.928 108.1 42.5 -56.7 -51.9 15.5 24.9 17.3 6 676 A V H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.869 110.3 56.9 -67.2 -34.3 18.6 23.0 18.3 7 677 A L H X S+ 0 0 3 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.947 112.2 40.9 -62.4 -46.3 17.7 20.0 16.2 8 678 A E H >< S+ 0 0 109 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.921 114.6 54.3 -65.3 -43.7 17.5 22.1 13.0 9 679 A A H 3< S+ 0 0 81 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.890 112.7 40.6 -56.8 -44.2 20.6 24.1 14.1 10 680 A I H 3< S+ 0 0 38 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.511 83.3 125.9 -85.2 -6.5 22.8 21.0 14.6 11 681 A E << - 0 0 59 -4,-0.8 -3,-0.0 -3,-0.7 -4,-0.0 -0.331 66.0-113.2 -58.9 125.4 21.5 19.1 11.5 12 682 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.132 28.0-134.8 -57.4 153.8 24.5 18.1 9.3 13 683 A G - 0 0 62 1,-0.2 2,-0.2 31,-0.0 31,-0.0 0.044 50.8 -39.5 -89.5-155.9 24.8 19.6 5.8 14 684 A V - 0 0 117 81,-0.0 2,-0.5 1,-0.0 -1,-0.2 -0.482 54.8-164.5 -73.0 134.4 25.6 18.0 2.5 15 685 A V - 0 0 14 -2,-0.2 2,-0.2 79,-0.1 26,-0.1 -0.972 4.3-158.9-125.4 116.9 28.2 15.2 2.7 16 686 A C - 0 0 58 -2,-0.5 24,-0.1 79,-0.2 79,-0.0 -0.592 14.7-146.6 -93.9 157.1 29.8 14.0 -0.6 17 687 A A - 0 0 2 -2,-0.2 -1,-0.1 2,-0.1 23,-0.1 0.724 31.1-127.9 -91.6 -28.5 31.6 10.6 -1.1 18 688 A G + 0 0 56 1,-0.2 2,-0.1 18,-0.0 80,-0.1 0.672 48.4 170.0 83.8 20.1 34.2 11.8 -3.6 19 689 A H - 0 0 17 1,-0.1 2,-1.2 14,-0.1 -1,-0.2 -0.334 40.3-121.1 -67.0 144.1 33.2 9.0 -5.9 20 690 A D > - 0 0 75 1,-0.2 3,-0.7 9,-0.1 -1,-0.1 -0.692 26.0-174.9 -86.4 94.2 34.5 8.8 -9.5 21 691 A N T 3 S+ 0 0 87 -2,-1.2 -1,-0.2 1,-0.2 4,-0.1 0.364 79.2 61.2 -74.1 12.6 31.3 8.9 -11.6 22 692 A N T 3 S+ 0 0 135 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.751 86.1 81.3-104.7 -33.3 33.3 8.3 -14.7 23 693 A Q S < S- 0 0 99 -3,-0.7 2,-0.1 1,-0.1 0, 0.0 -0.218 95.3 -89.1 -66.6 162.4 34.8 4.9 -13.8 24 694 A P - 0 0 95 0, 0.0 2,-2.3 0, 0.0 5,-0.2 -0.382 44.0 -95.8 -75.8 156.6 32.5 1.9 -14.4 25 695 A D + 0 0 33 -3,-0.1 2,-0.2 4,-0.1 3,-0.0 -0.426 59.4 167.0 -71.7 76.2 30.2 0.6 -11.7 26 696 A S > - 0 0 50 -2,-2.3 4,-2.3 1,-0.1 5,-0.3 -0.618 46.3-124.4 -89.0 151.1 32.4 -2.1 -10.3 27 697 A F H > S+ 0 0 14 -2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.955 112.2 52.4 -56.3 -47.7 31.6 -3.7 -7.0 28 698 A A H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 192,-0.3 0.890 111.5 41.7 -55.1 -53.3 35.0 -2.7 -5.8 29 699 A A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 115.9 49.5 -66.2 -41.8 34.8 1.0 -6.6 30 700 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.953 115.4 42.8 -61.2 -51.3 31.2 1.4 -5.5 31 701 A L H X S+ 0 0 4 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.887 110.5 55.5 -65.1 -38.5 31.9 -0.3 -2.1 32 702 A S H X S+ 0 0 31 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.926 111.7 45.6 -60.6 -39.2 35.2 1.6 -1.6 33 703 A S H X S+ 0 0 19 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.900 110.1 51.9 -71.1 -39.8 33.2 4.8 -2.1 34 704 A L H X S+ 0 0 22 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.936 111.1 50.2 -60.2 -42.0 30.4 3.7 0.3 35 705 A N H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.943 111.3 46.4 -59.2 -52.2 33.1 2.9 2.9 36 706 A E H X S+ 0 0 70 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.904 115.0 47.0 -59.7 -41.8 34.7 6.3 2.5 37 707 A L H X S+ 0 0 6 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.891 108.4 56.7 -65.3 -39.2 31.3 8.1 2.7 38 708 A G H X S+ 0 0 5 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.935 108.4 47.1 -56.8 -45.8 30.5 5.9 5.7 39 709 A E H X S+ 0 0 29 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.942 111.6 49.5 -60.0 -51.4 33.6 7.2 7.4 40 710 A R H X S+ 0 0 91 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.927 111.4 49.8 -55.7 -45.9 32.8 10.9 6.5 41 711 A Q H X S+ 0 0 20 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.844 105.6 57.2 -61.4 -35.8 29.2 10.4 7.8 42 712 A L H X S+ 0 0 6 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.945 103.9 53.0 -61.7 -45.5 30.6 8.9 11.0 43 713 A V H X S+ 0 0 48 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.901 113.5 43.0 -53.9 -47.2 32.6 12.1 11.6 44 714 A H H X S+ 0 0 65 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.848 110.1 55.2 -70.8 -37.5 29.5 14.2 11.2 45 715 A V H X S+ 0 0 11 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.866 107.0 52.2 -64.2 -35.1 27.3 12.0 13.3 46 716 A V H X S+ 0 0 28 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 112.8 42.4 -66.4 -48.1 29.7 12.2 16.2 47 717 A K H X S+ 0 0 136 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.862 117.5 49.3 -67.4 -32.6 29.8 16.1 16.1 48 718 A W H >< S+ 0 0 13 -4,-2.3 3,-1.0 2,-0.2 -2,-0.2 0.979 112.4 45.7 -68.0 -55.8 26.0 16.0 15.6 49 719 A A H >< S+ 0 0 0 -4,-3.2 3,-2.1 1,-0.3 -2,-0.2 0.905 109.0 55.4 -53.6 -49.6 25.3 13.6 18.5 50 720 A K H 3< S+ 0 0 59 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.754 106.1 53.0 -58.7 -24.2 27.6 15.4 20.9 51 721 A A T << S+ 0 0 51 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.345 84.5 115.7 -93.2 4.8 25.7 18.6 20.3 52 722 A L S X S- 0 0 7 -3,-2.1 3,-1.9 -4,-0.2 4,-0.4 -0.485 81.1 -90.4 -75.1 144.2 22.3 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 -0.302 109.1 1.7 -56.4 130.0 20.4 18.3 24.2 54 724 A G T > S+ 0 0 29 1,-0.1 3,-1.9 -3,-0.1 4,-0.5 0.353 92.1 122.3 76.8 -5.9 21.2 16.3 27.3 55 725 A F G X + 0 0 0 -3,-1.9 3,-1.1 1,-0.3 -4,-0.1 0.817 69.2 59.3 -57.2 -32.7 23.8 14.2 25.5 56 726 A R G 3 S+ 0 0 168 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.657 87.9 76.0 -71.7 -13.3 26.5 15.3 27.9 57 727 A N G < S+ 0 0 90 -3,-1.9 -1,-0.2 99,-0.1 -2,-0.2 0.829 79.9 89.8 -63.8 -32.5 24.4 13.8 30.7 58 728 A L S < S- 0 0 3 -3,-1.1 5,-0.1 -4,-0.5 96,-0.1 -0.358 95.0 -97.7 -65.4 146.1 25.5 10.4 29.5 59 729 A H > - 0 0 56 94,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.282 39.0-107.4 -60.5 150.3 28.7 9.0 31.0 60 730 A V H > S+ 0 0 101 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.843 117.1 42.5 -46.2 -51.5 31.8 9.5 28.8 61 731 A D H > S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.840 110.4 56.1 -71.6 -32.2 32.2 5.9 27.6 62 732 A D H > S+ 0 0 5 -3,-0.2 4,-2.9 1,-0.2 5,-0.2 0.859 99.5 65.5 -65.7 -33.4 28.5 5.5 27.1 63 733 A Q H X S+ 0 0 13 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.938 106.2 36.5 -54.1 -58.1 28.6 8.5 24.7 64 734 A M H X S+ 0 0 61 -4,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.891 116.4 54.7 -66.7 -37.3 30.8 7.0 22.0 65 735 A A H X S+ 0 0 16 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.934 106.3 50.1 -61.5 -48.7 29.3 3.5 22.4 66 736 A V H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.909 114.2 47.0 -58.1 -37.9 25.7 4.8 21.8 67 737 A I H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.929 113.2 46.6 -68.5 -48.3 27.0 6.6 18.7 68 738 A Q H < S+ 0 0 29 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.884 114.2 47.2 -64.2 -39.0 29.0 3.7 17.3 69 739 A Y H < S+ 0 0 13 -4,-2.7 4,-0.3 -5,-0.2 3,-0.3 0.911 119.5 38.3 -68.9 -44.6 26.1 1.2 17.8 70 740 A S H X S+ 0 0 6 -4,-1.8 4,-2.3 -5,-0.3 5,-0.2 0.531 90.3 96.4 -86.8 -4.1 23.4 3.4 16.3 71 741 A W H X S+ 0 0 1 -4,-1.2 4,-2.3 1,-0.2 5,-0.2 0.909 81.5 49.7 -52.3 -51.4 25.6 4.8 13.5 72 742 A M H > S+ 0 0 13 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.921 114.5 45.1 -54.6 -48.7 24.5 2.4 10.8 73 743 A G H > S+ 0 0 5 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.829 109.4 55.0 -66.0 -35.9 20.8 3.0 11.5 74 744 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.910 110.8 46.4 -64.0 -40.0 21.3 6.8 11.7 75 745 A M H X S+ 0 0 33 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.900 112.3 51.1 -68.3 -39.8 22.8 6.7 8.3 76 746 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.940 112.7 45.0 -59.6 -53.1 20.0 4.5 7.0 77 747 A F H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.943 116.5 43.6 -59.8 -52.2 17.3 6.8 8.3 78 748 A A H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.918 113.0 52.1 -61.9 -45.5 18.8 10.0 7.1 79 749 A M H X S+ 0 0 3 -4,-2.5 4,-2.2 -5,-0.3 14,-0.4 0.896 107.2 53.7 -59.4 -38.6 19.7 8.5 3.7 80 750 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.884 110.6 47.1 -62.0 -38.3 16.1 7.4 3.3 81 751 A W H X S+ 0 0 36 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.900 109.9 51.9 -69.4 -42.3 15.0 10.9 4.0 82 752 A R H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.866 110.6 50.2 -60.8 -38.1 17.5 12.4 1.5 83 753 A S H X S+ 0 0 0 -4,-2.2 6,-2.6 -5,-0.2 4,-1.7 0.920 112.2 46.9 -66.4 -45.3 16.2 9.9 -1.1 84 754 A F H X S+ 0 0 49 -4,-2.1 4,-1.1 4,-0.3 -2,-0.2 0.962 118.1 40.3 -61.0 -54.3 12.6 11.0 -0.4 85 755 A T H < S+ 0 0 70 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.889 124.5 33.9 -63.7 -45.9 13.3 14.7 -0.5 86 756 A N H < S+ 0 0 89 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.890 136.3 13.2 -81.9 -45.1 15.7 14.8 -3.4 87 757 A V H >< S- 0 0 36 -4,-1.7 3,-2.4 -5,-0.4 4,-0.2 0.114 98.0-110.7-122.0 21.0 14.6 12.1 -5.8 88 758 A N T 3< S- 0 0 128 -4,-1.1 -4,-0.3 1,-0.3 -3,-0.1 0.834 73.0 -65.7 54.0 34.9 11.2 11.2 -4.5 89 759 A S T 3 S+ 0 0 8 -6,-2.6 -1,-0.3 2,-0.2 -5,-0.2 0.607 106.4 126.4 64.2 12.7 12.6 7.8 -3.4 90 760 A R S < S+ 0 0 197 -3,-2.4 2,-0.2 -7,-0.4 -2,-0.1 0.947 81.2 4.9 -65.4 -45.0 13.2 6.9 -7.0 91 761 A M S S- 0 0 54 -8,-0.2 2,-0.8 -4,-0.2 10,-0.2 -0.753 91.0 -90.6-127.6 176.0 16.8 6.1 -6.3 92 762 A L E -A 100 0A 0 8,-1.8 8,-2.8 -2,-0.2 2,-1.6 -0.828 31.3-154.0 -96.3 111.1 19.0 6.0 -3.1 93 763 A Y E +A 99 0A 47 -2,-0.8 6,-0.2 -14,-0.4 -11,-0.1 -0.598 30.3 157.9 -85.1 77.8 20.6 9.4 -2.5 94 764 A F E S- 0 0 22 -2,-1.6 -1,-0.2 4,-1.2 5,-0.2 0.867 75.5 -22.1 -68.1 -37.2 23.7 8.3 -0.6 95 765 A A E > S-A 98 0A 1 3,-1.1 3,-2.1 -3,-0.2 -1,-0.3 -0.961 71.4 -97.3-165.8 159.4 25.4 11.5 -1.5 96 766 A P T 3 S+ 0 0 52 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.869 129.2 39.3 -56.0 -29.9 25.0 14.1 -4.3 97 767 A D T 3 S+ 0 0 35 1,-0.2 2,-0.1 -3,-0.1 -78,-0.1 0.178 115.5 55.3-104.0 15.5 27.9 12.3 -6.1 98 768 A L E < +A 95 0A 0 -3,-2.1 -4,-1.2 -80,-0.1 -3,-1.1 -0.577 62.8 159.0-148.7 77.9 26.7 8.8 -5.2 99 769 A V E -A 93 0A 30 -3,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.907 31.6-140.3-105.4 123.8 23.2 8.2 -6.3 100 770 A F E -A 92 0A 0 -8,-2.8 -8,-1.8 -2,-0.5 2,-0.2 -0.765 19.6-177.3 -89.3 124.8 22.2 4.5 -6.6 101 771 A N > - 0 0 68 -2,-0.5 4,-2.6 -10,-0.2 5,-0.2 -0.405 51.4 -85.3-100.4-174.7 20.0 3.5 -9.5 102 772 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.834 129.9 55.8 -63.2 -32.6 18.8 -0.2 -9.9 103 773 A Y H > S+ 0 0 132 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 111.7 41.7 -65.5 -42.5 22.0 -1.0 -11.8 104 774 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.873 108.9 59.0 -72.9 -37.0 24.2 0.2 -8.9 105 775 A M H <>S+ 0 0 1 -4,-2.6 5,-0.9 1,-0.2 6,-0.3 0.908 114.7 39.0 -56.8 -40.5 21.9 -1.4 -6.3 106 776 A H H ><5S+ 0 0 126 -4,-1.8 3,-1.7 -5,-0.2 5,-0.3 0.908 112.1 54.0 -76.2 -45.2 22.7 -4.7 -8.1 107 777 A K H 3<5S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.794 103.1 58.7 -61.8 -28.5 26.4 -4.1 -8.8 108 778 A S T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.570 103.9-130.9 -76.7 -10.0 27.0 -3.4 -5.1 109 779 A R T < 5S+ 0 0 150 -3,-1.7 -3,-0.1 -4,-0.2 -2,-0.1 0.702 87.6 101.6 64.1 22.2 25.7 -6.9 -4.2 110 780 A M >< + 0 0 7 -5,-0.9 4,-3.0 -6,-0.3 5,-0.3 0.035 35.8 127.3-119.9 18.1 23.6 -5.1 -1.7 111 781 A Y H > S+ 0 0 86 -6,-0.3 4,-3.4 -5,-0.3 5,-0.2 0.876 70.5 51.6 -46.0 -52.1 20.3 -5.1 -3.7 112 782 A S H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 114.8 41.8 -54.3 -51.1 18.2 -6.7 -1.0 113 783 A Q H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 115.0 51.4 -64.6 -40.5 19.3 -4.1 1.6 114 784 A C H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.933 107.7 53.3 -60.8 -44.9 19.0 -1.3 -0.9 115 785 A V H X S+ 0 0 44 -4,-3.4 4,-1.6 -5,-0.3 -1,-0.2 0.888 109.7 47.7 -58.0 -40.0 15.5 -2.4 -1.8 116 786 A R H X S+ 0 0 95 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.872 110.8 51.3 -70.6 -34.6 14.5 -2.3 1.9 117 787 A M H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.865 107.7 52.2 -70.1 -34.1 16.0 1.2 2.3 118 788 A R H X S+ 0 0 60 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.887 109.2 51.3 -67.9 -36.0 14.1 2.4 -0.8 119 789 A H H X S+ 0 0 89 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.960 110.1 47.5 -63.6 -50.8 10.9 1.1 0.8 120 790 A L H X S+ 0 0 3 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.938 110.9 53.2 -54.4 -47.3 11.7 2.9 4.1 121 791 A S H >X S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 4,-0.6 0.880 106.5 52.2 -54.2 -43.2 12.4 6.0 2.0 122 792 A Q H >X S+ 0 0 45 -4,-2.1 4,-2.3 1,-0.2 3,-0.9 0.831 98.8 66.2 -63.7 -32.9 9.0 5.6 0.3 123 793 A E H 3X S+ 0 0 50 -4,-1.9 4,-2.9 -3,-0.4 6,-0.3 0.822 89.9 63.2 -60.0 -31.5 7.4 5.4 3.8 124 794 A F H <<>S+ 0 0 0 -4,-1.0 5,-2.5 -3,-0.8 -1,-0.3 0.869 110.7 40.3 -60.7 -35.6 8.4 9.1 4.4 125 795 A G H X<5S+ 0 0 28 -3,-0.9 3,-0.5 -4,-0.6 -2,-0.2 0.930 115.2 47.8 -77.8 -50.0 6.1 10.0 1.5 126 796 A W H 3<5S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.904 119.2 41.5 -57.6 -44.4 3.2 7.6 2.3 127 797 A L T 3<5S- 0 0 28 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.560 105.1-130.4 -81.0 -8.5 3.2 8.6 5.9 128 798 A Q T < 5 - 0 0 163 -3,-0.5 -3,-0.2 -4,-0.2 -4,-0.1 0.941 32.1-158.8 58.0 43.9 3.7 12.3 5.0 129 799 A I < - 0 0 9 -5,-2.5 -1,-0.2 -6,-0.3 -5,-0.0 -0.343 10.3-126.5 -58.7 132.9 6.5 12.4 7.5 130 800 A T > - 0 0 47 -3,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.502 12.4-122.4 -82.2 147.5 7.2 16.0 8.6 131 801 A P H > S+ 0 0 68 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.852 118.9 46.7 -58.7 -26.3 10.7 17.5 8.4 132 802 A Q H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.869 110.1 49.8 -80.2 -40.3 10.3 18.1 12.2 133 803 A E H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 110.4 54.2 -63.2 -37.3 9.0 14.6 12.9 134 804 A F H X S+ 0 0 4 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.939 108.1 47.4 -61.1 -50.0 12.0 13.4 10.9 135 805 A L H X S+ 0 0 19 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.882 114.2 46.5 -59.2 -44.6 14.5 15.4 13.0 136 806 A C H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.893 113.4 48.8 -66.3 -42.2 12.9 14.1 16.3 137 807 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 109.9 51.2 -64.8 -42.8 12.8 10.5 15.1 138 808 A K H X S+ 0 0 10 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.930 110.2 50.5 -61.0 -42.6 16.4 10.7 14.0 139 809 A A H >X S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.6 0.931 109.2 50.1 -58.7 -48.0 17.4 12.0 17.4 140 810 A L H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.855 100.2 66.3 -59.4 -36.2 15.5 9.2 19.1 141 811 A L H >< S+ 0 0 2 -4,-2.1 3,-1.2 1,-0.3 -1,-0.3 0.788 89.6 65.9 -56.1 -31.2 17.3 6.7 16.9 142 812 A L H << S+ 0 0 0 -3,-1.3 3,-0.3 -4,-0.8 -1,-0.3 0.890 105.4 42.5 -59.3 -39.2 20.5 7.7 18.6 143 813 A F T << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.1 -0.260 90.7 95.0-101.7 44.9 19.2 6.1 21.9 144 814 A S S < S+ 0 0 5 -3,-1.2 100,-3.0 1,-0.2 2,-0.3 0.245 74.6 52.1-122.1 16.4 17.7 3.0 20.3 145 815 A I E +B 243 0B 2 -3,-0.3 -1,-0.2 98,-0.3 -75,-0.2 -0.892 60.9 158.2-155.9 118.4 20.4 0.3 20.7 146 816 A I E -B 242 0B 15 96,-1.8 96,-2.4 -2,-0.3 4,-0.1 -0.937 47.3 -79.8-137.9 163.2 22.3 -0.7 23.9 147 817 A P E > -B 241 0B 17 0, 0.0 3,-2.1 0, 0.0 94,-0.3 -0.349 38.4-129.1 -62.5 137.7 24.2 -3.5 25.5 148 818 A V T 3 S+ 0 0 104 92,-4.0 93,-0.1 1,-0.3 3,-0.1 0.832 112.4 51.8 -58.5 -29.4 21.9 -6.2 26.8 149 819 A D T 3 S- 0 0 141 91,-0.4 -1,-0.3 1,-0.2 92,-0.1 0.026 118.0-116.3 -96.2 26.7 23.8 -5.9 30.1 150 820 A G < - 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0 0 67 1,-0.4 4,-0.2 -2,-0.3 6,-0.1 -0.740 64.0 -0.2 164.6 149.1 -7.5 11.8 20.0 179 849 A P S >>>S+ 0 0 78 0, 0.0 2,-3.4 0, 0.0 3,-1.0 -0.069 126.1 7.7 53.0-155.4 -8.6 8.4 18.6 180 850 A T T 345S+ 0 0 69 1,-0.2 0, 0.0 3,-0.1 0, 0.0 -0.216 135.6 43.6 -55.7 70.0 -7.2 7.3 15.2 181 851 A S T 3>5S+ 0 0 57 -2,-3.4 4,-1.5 -8,-0.0 -1,-0.2 0.086 108.6 43.9-173.8 -54.2 -4.9 10.4 15.0 182 852 A C H <>5S+ 0 0 36 -3,-1.0 4,-1.5 -4,-0.2 -2,-0.1 0.969 134.4 20.6 -72.4 -55.4 -3.0 11.1 18.2 183 853 A S H X5S+ 0 0 70 -4,-0.9 4,-2.5 2,-0.2 5,-0.2 0.706 121.2 64.1 -84.6 -24.0 -2.1 7.5 18.9 184 854 A R H >< S+ 0 0 5 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.864 108.9 50.8 -64.6 -37.7 11.4 3.7 13.7 194 864 A D H >< S+ 0 0 15 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.863 99.4 68.0 -65.1 -38.1 11.4 -0.1 14.5 195 865 A S T 3X S+ 0 0 38 -4,-1.8 4,-0.5 1,-0.3 -1,-0.2 0.604 91.1 61.6 -60.3 -13.5 11.6 -0.8 10.8 196 866 A V H <> S+ 0 0 0 -3,-1.0 4,-2.3 -4,-0.3 -1,-0.3 0.785 90.0 67.9 -85.6 -24.1 15.1 0.7 10.6 197 867 A Q H <> S+ 0 0 16 -3,-1.3 4,-2.0 -4,-0.5 -2,-0.2 0.860 97.8 49.9 -65.0 -37.5 16.7 -1.9 13.0 198 868 A P H > S+ 0 0 42 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.850 111.2 50.5 -72.0 -27.5 16.3 -4.9 10.7 199 869 A I H X S+ 0 0 6 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.923 110.4 49.5 -71.0 -43.0 17.9 -2.9 7.8 200 870 A A H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.882 109.3 51.4 -64.5 -38.3 20.8 -1.9 10.0 201 871 A R H X S+ 0 0 104 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.946 110.5 48.8 -64.8 -44.8 21.4 -5.5 11.1 202 872 A E H X S+ 0 0 67 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.894 114.2 46.4 -59.2 -40.8 21.4 -6.6 7.5 203 873 A L H X S+ 0 0 14 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.875 111.0 52.4 -70.5 -37.1 23.8 -3.8 6.7 204 874 A H H X S+ 0 0 6 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.954 110.9 46.7 -62.2 -50.3 25.9 -4.7 9.7 205 875 A Q H X S+ 0 0 69 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.930 114.9 46.9 -56.7 -48.9 26.2 -8.4 8.6 206 876 A F H X S+ 0 0 34 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.909 114.1 46.5 -61.3 -44.4 27.0 -7.4 5.1 207 877 A T H X S+ 0 0 16 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.873 112.4 51.1 -66.6 -39.3 29.7 -4.9 6.1 208 878 A F H X S+ 0 0 57 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.954 110.9 47.4 -62.4 -50.7 31.2 -7.3 8.6 209 879 A D H X S+ 0 0 73 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.898 112.3 51.3 -58.9 -39.5 31.4 -10.1 6.0 210 880 A L H < S+ 0 0 3 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.866 107.9 50.5 -67.0 -38.8 33.0 -7.6 3.6 211 881 A L H >< S+ 0 0 28 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.950 108.8 52.9 -63.6 -46.9 35.6 -6.4 6.0 212 882 A I H 3< S+ 0 0 119 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.849 122.1 29.9 -55.9 -40.1 36.6 -10.0 6.8 213 883 A K T >X S+ 0 0 101 -4,-1.6 3,-2.2 -5,-0.2 4,-0.8 0.255 86.5 119.1-105.0 10.9 37.1 -10.7 3.0 214 884 A S H X>>S+ 0 0 25 -3,-1.1 5,-1.8 -4,-0.5 3,-0.9 0.808 71.0 52.9 -46.5 -46.4 38.1 -7.2 2.0 215 885 A H H 345S+ 0 0 181 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.599 106.5 57.2 -71.0 -6.3 41.6 -8.0 0.7 216 886 A M H <45S+ 0 0 171 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.655 113.4 35.8 -94.1 -20.6 40.0 -10.7 -1.5 217 887 A V H <<5S- 0 0 30 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.1 0.254 107.3-116.7-115.6 8.8 37.7 -8.3 -3.3 218 888 A S T <5 + 0 0 87 -4,-0.6 2,-0.6 1,-0.2 -3,-0.2 0.859 62.6 150.5 57.2 39.2 39.9 -5.2 -3.5 219 889 A V < - 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