==== 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 3B68 . 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) . 12097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 78.9 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 . 8 3.2 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 . 142 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 0 1 0 0 1 0 0 1 0 0 1 2 1 0 0 1 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 0 127 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 47.6 10.5 25.7 19.7 2 672 A I H > + 0 0 139 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.916 360.0 49.9 -58.1 -47.3 13.8 25.6 21.5 3 673 A F H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 114.5 42.6 -59.6 -49.7 14.3 21.9 21.0 4 674 A L H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.797 108.1 59.7 -68.4 -31.1 13.6 22.0 17.2 5 675 A N H X S+ 0 0 96 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.897 108.4 47.4 -62.6 -38.9 15.7 25.1 16.8 6 676 A V H X S+ 0 0 44 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.922 110.5 49.2 -67.9 -47.2 18.6 23.1 18.1 7 677 A L H X S+ 0 0 2 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.890 114.5 45.5 -61.3 -40.5 18.0 20.1 15.9 8 678 A E H >< S+ 0 0 84 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.937 110.3 55.3 -67.9 -43.3 17.8 22.2 12.8 9 679 A A H 3< S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.808 113.6 39.2 -58.0 -36.1 20.8 24.2 13.8 10 680 A I H 3< S+ 0 0 35 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.438 80.7 126.3 -96.5 -1.9 23.1 21.1 14.2 11 681 A E << - 0 0 63 -3,-1.0 -3,-0.0 -4,-0.7 124,-0.0 -0.406 66.6-115.3 -60.3 121.8 21.8 19.2 11.1 12 682 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.149 27.3-133.5 -57.2 152.5 24.9 18.3 9.0 13 683 A G - 0 0 63 1,-0.2 2,-0.1 -3,-0.1 31,-0.0 -0.027 50.7 -37.8 -90.2-159.7 25.1 19.8 5.6 14 684 A V - 0 0 116 81,-0.0 2,-0.5 -2,-0.0 -1,-0.2 -0.398 53.9-168.1 -67.0 132.6 26.1 18.1 2.3 15 685 A V - 0 0 23 -2,-0.1 2,-0.3 -3,-0.1 26,-0.1 -0.991 7.5-153.4-124.8 124.8 28.7 15.4 2.5 16 686 A C - 0 0 58 -2,-0.5 79,-0.1 79,-0.1 24,-0.0 -0.745 13.4-144.7-100.6 148.1 30.3 14.1 -0.8 17 687 A A - 0 0 2 -2,-0.3 -1,-0.1 2,-0.1 23,-0.1 0.716 31.7-129.2 -80.7 -23.9 31.8 10.7 -1.3 18 688 A G + 0 0 52 1,-0.2 2,-0.2 18,-0.1 80,-0.1 0.725 48.0 166.7 79.2 21.9 34.5 11.8 -3.7 19 689 A H - 0 0 18 78,-0.1 2,-1.1 14,-0.1 -1,-0.2 -0.461 40.8-125.9 -74.5 139.7 33.5 9.1 -6.1 20 690 A D > - 0 0 72 -2,-0.2 3,-0.9 1,-0.2 -1,-0.1 -0.754 29.2-179.1 -88.0 99.8 34.8 9.2 -9.7 21 691 A N T 3 S+ 0 0 75 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.476 71.8 66.0 -81.0 -3.8 31.6 9.0 -11.7 22 692 A N T 3 S+ 0 0 141 2,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.383 85.8 88.8 -97.3 7.0 33.2 9.0 -15.2 23 693 A Q S < S- 0 0 111 -3,-0.9 3,-0.1 1,-0.1 0, 0.0 -0.795 95.0 -99.6 -99.8 139.8 34.8 5.7 -14.5 24 694 A P - 0 0 104 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.309 50.7 -93.1 -58.7 146.2 32.7 2.6 -15.4 25 695 A D + 0 0 39 -4,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.320 52.5 170.1 -62.0 139.7 30.9 1.1 -12.3 26 696 A S > - 0 0 48 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.979 42.2-121.7-147.2 151.8 32.7 -1.6 -10.5 27 697 A F H > S+ 0 0 18 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.965 111.2 52.2 -59.0 -53.1 32.1 -3.4 -7.2 28 698 A A H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 192,-0.4 0.867 114.0 41.5 -52.7 -44.3 35.6 -2.4 -5.8 29 699 A A H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.875 113.7 51.5 -74.0 -39.9 35.2 1.3 -6.6 30 700 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.941 115.3 42.1 -62.0 -47.3 31.6 1.6 -5.5 31 701 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.893 110.9 55.0 -68.1 -40.3 32.3 0.0 -2.1 32 702 A S H X S+ 0 0 28 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.890 112.3 44.8 -60.0 -37.3 35.6 1.9 -1.6 33 703 A S H X S+ 0 0 19 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.795 110.8 52.9 -76.3 -30.3 33.6 5.1 -2.1 34 704 A L H X S+ 0 0 23 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.878 111.4 47.7 -70.9 -35.4 30.8 3.9 0.2 35 705 A N H X S+ 0 0 11 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.938 113.9 45.5 -68.6 -47.0 33.4 3.2 2.8 36 706 A E H X S+ 0 0 68 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.925 115.2 48.7 -60.7 -45.3 35.1 6.6 2.4 37 707 A L H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.932 108.0 53.8 -60.3 -47.4 31.6 8.2 2.4 38 708 A G H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.918 111.5 46.4 -53.8 -44.1 30.6 6.3 5.5 39 709 A E H X S+ 0 0 40 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.903 108.9 53.2 -66.6 -42.5 33.7 7.6 7.3 40 710 A R H X S+ 0 0 94 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.880 111.0 48.7 -61.4 -35.3 33.2 11.2 6.1 41 711 A Q H >X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 3,-0.8 0.894 101.9 61.1 -72.2 -38.5 29.7 11.0 7.5 42 712 A L H 3X S+ 0 0 11 -4,-2.0 4,-2.5 1,-0.3 5,-0.2 0.884 97.8 60.0 -54.6 -39.5 30.8 9.6 10.9 43 713 A V H 3X S+ 0 0 76 -4,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.880 111.6 39.8 -56.3 -38.3 32.9 12.8 11.4 44 714 A H H < S+ 0 0 13 -4,-2.5 3,-0.8 2,-0.2 -2,-0.2 0.942 111.2 47.6 -69.0 -50.2 26.2 16.4 15.5 49 719 A A H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 6,-0.2 0.894 108.6 54.4 -60.2 -42.5 25.6 13.9 18.4 50 720 A K H 3< S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.3 6,-0.2 0.703 106.6 52.6 -67.1 -17.9 27.8 15.9 20.8 51 721 A A T << S+ 0 0 51 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.371 85.7 112.6 -96.2 2.9 25.8 19.1 20.1 52 722 A L S X S- 0 0 5 -3,-1.6 3,-1.7 -4,-0.2 4,-0.5 -0.513 84.8 -91.0 -76.5 140.9 22.5 17.3 20.9 53 723 A P T 3 S- 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.277 107.3 -1.2 -53.2 132.2 20.6 18.5 24.0 54 724 A G T >> S+ 0 0 33 1,-0.1 3,-1.8 -4,-0.1 4,-0.5 0.284 93.3 117.8 72.7 -10.5 21.7 16.4 27.0 55 725 A F G X4 + 0 0 0 -3,-1.7 3,-1.2 1,-0.3 -1,-0.1 0.844 68.0 64.7 -57.2 -34.7 24.1 14.1 25.1 56 726 A R G 34 S+ 0 0 164 -4,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.672 87.8 71.2 -63.3 -17.5 27.0 15.4 27.2 57 727 A N G <4 S+ 0 0 116 -3,-1.8 -1,-0.3 99,-0.1 -2,-0.2 0.859 79.3 92.7 -67.1 -36.3 25.4 13.9 30.3 58 728 A L S << S- 0 0 4 -3,-1.2 2,-0.1 -4,-0.5 96,-0.1 -0.155 95.6 -91.9 -56.0 152.2 26.2 10.4 29.1 59 729 A H >> - 0 0 76 94,-0.2 4,-2.5 1,-0.1 3,-0.9 -0.435 38.0-113.2 -66.1 142.3 29.5 8.9 30.3 60 730 A V H 3> S+ 0 0 104 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.789 117.7 48.0 -46.4 -35.5 32.4 9.6 27.9 61 731 A D H 3> S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.813 110.3 49.8 -78.8 -32.4 32.6 5.9 27.0 62 732 A D H <> S+ 0 0 6 -3,-0.9 4,-3.1 2,-0.2 5,-0.3 0.884 104.9 60.0 -72.2 -38.5 28.9 5.5 26.4 63 733 A Q H X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.950 110.5 39.8 -51.3 -57.0 28.8 8.5 24.1 64 734 A M H X S+ 0 0 87 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.897 116.5 49.4 -61.0 -45.6 31.3 7.0 21.7 65 735 A A H X S+ 0 0 10 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.906 111.1 49.8 -62.6 -44.0 29.8 3.4 21.9 66 736 A V H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.876 111.7 48.4 -63.7 -39.1 26.3 4.7 21.3 67 737 A I H X S+ 0 0 4 -4,-1.9 4,-0.6 -5,-0.3 -2,-0.2 0.925 113.1 48.2 -66.4 -44.7 27.5 6.7 18.3 68 738 A Q H >< S+ 0 0 40 -4,-2.5 3,-0.6 2,-0.2 4,-0.4 0.917 112.2 47.7 -64.0 -44.0 29.3 3.8 16.9 69 739 A Y H 3< S+ 0 0 15 -4,-2.7 3,-0.4 1,-0.2 4,-0.4 0.919 118.8 39.0 -63.8 -45.5 26.4 1.3 17.3 70 740 A S H 3X S+ 0 0 6 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.425 87.4 102.5 -86.7 2.5 23.8 3.6 15.8 71 741 A W H S+ 0 0 32 -4,-0.4 4,-2.2 -3,-0.4 -1,-0.2 0.947 114.0 49.4 -63.6 -50.2 24.6 2.7 10.3 73 743 A G H > S+ 0 0 4 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.853 108.8 52.3 -59.1 -38.4 21.0 3.3 11.3 74 744 A L H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.893 110.7 47.6 -66.3 -39.8 21.4 7.1 11.4 75 745 A M H X S+ 0 0 30 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.896 109.9 53.4 -67.4 -40.1 22.9 7.1 7.9 76 746 A V H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 110.6 46.5 -59.4 -47.1 20.2 4.9 6.6 77 747 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.917 115.2 44.8 -63.8 -46.3 17.5 7.2 7.9 78 748 A A H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.815 112.3 52.9 -69.0 -30.9 19.1 10.4 6.6 79 749 A M H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 14,-0.4 0.886 108.2 50.2 -73.2 -36.5 19.9 8.8 3.2 80 750 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.853 111.0 48.6 -68.5 -36.0 16.2 7.8 2.8 81 751 A W H X S+ 0 0 37 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.934 112.6 49.1 -69.2 -42.5 15.0 11.3 3.6 82 752 A R H X>S+ 0 0 56 -4,-2.1 4,-2.6 1,-0.2 5,-0.5 0.900 109.9 50.9 -61.2 -43.1 17.6 12.7 1.1 83 753 A S H X5S+ 0 0 0 -4,-2.5 6,-2.8 3,-0.2 4,-1.2 0.881 113.1 47.7 -62.9 -36.8 16.5 10.2 -1.5 84 754 A F H X5S+ 0 0 54 -4,-1.8 4,-0.9 4,-0.3 -2,-0.2 0.955 118.8 35.6 -69.1 -53.6 12.9 11.3 -0.9 85 755 A T H <5S+ 0 0 64 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.901 125.9 38.7 -69.8 -41.8 13.3 15.1 -1.0 86 756 A N H <5S+ 0 0 82 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.940 137.5 5.9 -75.8 -52.7 16.0 15.2 -3.7 87 757 A V H >< S-A 98 0A 1 3,-1.0 3,-2.1 -3,-0.3 -1,-0.3 -0.952 71.0 -94.4-166.5 162.3 25.6 11.7 -1.7 96 766 A P T 3 S+ 0 0 55 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.885 129.3 38.9 -53.0 -40.7 25.4 14.2 -4.6 97 767 A D T 3 S+ 0 0 34 1,-0.2 -78,-0.1 -3,-0.1 -81,-0.1 0.128 116.3 54.3 -97.6 18.3 28.3 12.4 -6.3 98 768 A L E < +A 95 0A 0 -3,-2.1 -4,-1.1 -80,-0.1 -3,-1.0 -0.491 64.5 157.6-150.8 72.3 27.1 8.9 -5.3 99 769 A V E -A 93 0A 26 -3,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.889 30.8-141.5-103.1 127.1 23.5 8.3 -6.5 100 770 A F E -A 92 0A 0 -8,-2.8 -8,-2.1 -2,-0.5 2,-0.2 -0.776 16.9-175.4 -95.9 123.1 22.5 4.7 -6.9 101 771 A N >> - 0 0 69 -2,-0.5 4,-2.4 -10,-0.2 3,-0.8 -0.560 51.5 -89.8 -98.7 172.8 20.2 3.5 -9.7 102 772 A E H 3> S+ 0 0 87 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.858 128.5 58.2 -52.9 -37.7 19.1 -0.2 -9.7 103 773 A Y H 3> S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.889 110.0 42.9 -59.3 -40.6 22.1 -1.1 -11.8 104 774 A R H <> S+ 0 0 22 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.850 109.8 56.6 -74.6 -35.6 24.4 0.3 -9.1 105 775 A M H <>S+ 0 0 2 -4,-2.4 5,-1.1 1,-0.2 4,-0.4 0.916 111.7 44.5 -60.4 -42.1 22.3 -1.3 -6.3 106 776 A H H ><5S+ 0 0 131 -4,-2.5 3,-1.0 -5,-0.2 5,-0.3 0.907 112.8 49.3 -69.6 -43.5 22.9 -4.7 -8.1 107 777 A K H 3<5S+ 0 0 56 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.813 104.8 58.2 -67.4 -30.7 26.6 -4.1 -8.7 108 778 A S T 3<5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.647 104.0-133.3 -71.7 -15.4 27.3 -3.1 -5.1 109 779 A R T < 5S+ 0 0 137 -3,-1.0 -3,-0.2 -4,-0.4 3,-0.1 0.682 85.2 102.0 67.3 19.8 25.8 -6.5 -4.1 110 780 A M >< + 0 0 14 -5,-1.1 4,-2.8 1,-0.1 5,-0.2 -0.183 39.3 129.5-118.5 33.5 23.7 -4.7 -1.5 111 781 A Y H > + 0 0 91 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.906 67.5 50.1 -59.2 -48.8 20.6 -5.0 -3.7 112 782 A S H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.938 115.6 44.9 -56.0 -46.7 18.2 -6.4 -1.1 113 783 A Q H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.902 111.7 51.9 -65.2 -42.2 19.3 -3.7 1.4 114 784 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.928 107.3 51.8 -61.0 -46.3 19.1 -0.9 -1.2 115 785 A V H X S+ 0 0 38 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.833 109.4 51.8 -60.0 -31.6 15.5 -1.9 -2.2 116 786 A R H X S+ 0 0 88 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.886 110.1 47.5 -72.2 -38.9 14.6 -1.8 1.4 117 787 A M H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.809 108.2 55.6 -71.4 -29.7 16.0 1.7 1.8 118 788 A R H X S+ 0 0 60 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.915 108.4 48.6 -66.4 -40.7 14.2 2.8 -1.3 119 789 A H H X S+ 0 0 81 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.862 109.3 52.2 -64.3 -37.9 11.0 1.6 0.3 120 790 A L H X S+ 0 0 3 -4,-1.7 4,-1.3 1,-0.2 3,-0.4 0.929 107.1 53.9 -63.3 -44.2 11.9 3.5 3.4 121 791 A S H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.841 106.4 51.4 -58.6 -35.7 12.4 6.6 1.3 122 792 A Q H X S+ 0 0 50 -4,-1.5 4,-2.9 1,-0.2 3,-0.4 0.813 101.2 62.6 -73.7 -28.4 8.9 6.2 -0.2 123 793 A E H X S+ 0 0 45 -4,-1.5 4,-3.1 -3,-0.4 5,-0.3 0.860 92.9 62.8 -62.7 -38.0 7.5 6.0 3.3 124 794 A F H <>S+ 0 0 0 -4,-1.3 5,-2.4 1,-0.2 -1,-0.2 0.887 113.2 36.5 -56.2 -35.7 8.7 9.5 4.0 125 795 A G H <5S+ 0 0 23 -4,-0.7 3,-0.5 -3,-0.4 -2,-0.2 0.916 116.6 49.7 -82.5 -46.7 6.3 10.6 1.2 126 796 A W H <5S+ 0 0 146 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.894 119.5 38.6 -58.9 -42.9 3.5 8.2 1.8 127 797 A L T <5S- 0 0 29 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.524 107.0-129.4 -85.1 -7.6 3.3 9.1 5.5 128 798 A Q T 5 - 0 0 150 -3,-0.5 2,-0.3 -5,-0.3 -3,-0.2 0.949 27.9-161.3 57.4 51.6 4.0 12.8 4.8 129 799 A I < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.3 -2,-0.0 -0.511 11.7-135.7 -65.6 121.7 6.9 12.9 7.3 130 800 A T > - 0 0 54 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.411 21.6-108.8 -76.8 158.0 7.4 16.6 8.1 131 801 A P H > S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.777 120.8 49.6 -57.3 -26.2 11.0 18.0 8.2 132 802 A Q H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.896 107.6 49.8 -81.7 -41.9 10.6 18.4 12.0 133 803 A E H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 111.6 53.1 -60.1 -42.1 9.3 14.8 12.6 134 804 A F H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.950 108.8 47.6 -55.7 -52.9 12.2 13.7 10.6 135 805 A L H X S+ 0 0 11 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.879 115.0 45.1 -57.7 -41.9 14.7 15.7 12.7 136 806 A C H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.828 112.2 51.3 -74.9 -30.9 13.3 14.4 16.0 137 807 A M H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.909 109.1 51.4 -71.3 -39.3 13.1 10.8 14.8 138 808 A K H X S+ 0 0 11 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.899 109.7 49.1 -64.1 -41.0 16.7 10.9 13.7 139 809 A A H >X S+ 0 0 0 -4,-1.7 3,-1.4 1,-0.2 4,-0.6 0.938 109.8 51.8 -62.5 -45.6 17.8 12.2 17.1 140 810 A L H >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.807 99.5 66.0 -60.1 -31.0 15.8 9.4 18.8 141 811 A L H >< S+ 0 0 4 -4,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.757 91.0 62.7 -62.8 -27.8 17.6 6.9 16.5 142 812 A L H << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.7 3,-0.3 0.788 105.3 47.3 -68.6 -26.2 20.8 7.7 18.3 143 813 A F T << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.1 -0.227 90.1 89.9-108.0 42.5 19.3 6.4 21.5 144 814 A S S < S+ 0 0 7 -3,-1.0 100,-2.5 1,-0.2 2,-0.2 0.052 73.3 59.1-129.4 29.2 17.9 3.1 20.1 145 815 A I E +B 243 0B 6 98,-0.3 -1,-0.2 -3,-0.3 -75,-0.1 -0.768 59.8 169.6-160.1 108.6 20.6 0.4 20.4 146 816 A I E -B 242 0B 40 96,-2.0 96,-2.5 -2,-0.2 2,-0.2 -0.833 36.6-100.3-125.1 159.7 22.1 -0.6 23.8 147 817 A P E > -B 241 0B 19 0, 0.0 3,-1.9 0, 0.0 94,-0.3 -0.556 24.1-135.4 -76.5 136.9 24.4 -3.4 25.2 148 818 A V T 3 S+ 0 0 93 92,-3.2 93,-0.1 1,-0.3 3,-0.1 0.836 109.9 56.3 -60.3 -31.5 22.7 -6.2 27.1 149 819 A D T 3 S- 0 0 154 91,-0.4 -1,-0.3 1,-0.2 92,-0.1 0.522 118.5-118.7 -77.6 -5.4 25.4 -5.8 29.7 150 820 A G < - 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0 0 52 1,-0.2 4,-1.8 2,-0.1 3,-0.9 -0.436 66.9-154.7 -62.9 113.0 -7.7 14.8 18.8 179 849 A P H 3> S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.857 97.6 57.2 -56.0 -36.2 -5.8 12.3 21.1 180 850 A T H 3> S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.826 104.1 53.5 -63.8 -32.2 -6.8 9.6 18.7 181 851 A S H <> S+ 0 0 48 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.920 109.3 46.7 -68.3 -45.3 -5.0 11.6 16.0 182 852 A C H X S+ 0 0 28 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.864 111.1 53.5 -64.1 -39.4 -1.8 11.8 18.0 183 853 A S H X S+ 0 0 77 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.972 107.7 48.2 -60.5 -56.9 -2.0 8.1 18.8 184 854 A R H X S+ 0 0 182 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.845 114.0 49.0 -53.5 -36.3 -2.3 7.0 15.1 185 855 A R H X S+ 0 0 19 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.924 109.5 49.8 -71.0 -44.2 0.6 9.3 14.3 186 856 A F H X S+ 0 0 55 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.906 110.0 52.8 -60.5 -41.5 2.8 7.9 17.1 187 857 A Y H X S+ 0 0 125 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.953 110.2 47.7 -57.1 -51.4 2.1 4.4 15.9 188 858 A Q H X S+ 0 0 56 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.903 115.1 43.1 -57.5 -49.0 3.1 5.3 12.3 189 859 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.879 114.2 49.6 -68.0 -41.4 6.4 7.0 13.3 190 860 A T H X S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.3 56,-0.3 0.893 113.6 48.1 -65.1 -35.6 7.4 4.4 15.9 191 861 A K H X S+ 0 0 90 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.907 112.0 48.6 -69.9 -41.1 6.6 1.7 13.2 192 862 A L H < S+ 0 0 3 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.908 110.6 51.9 -64.7 -40.9 8.7 3.6 10.6 193 863 A L H >X S+ 0 0 10 -4,-2.8 3,-1.1 1,-0.2 4,-0.5 0.876 106.5 52.6 -62.9 -40.5 11.6 4.0 13.1 194 864 A D H >< S+ 0 0 17 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.914 98.4 66.0 -61.9 -41.7 11.6 0.2 13.8 195 865 A S T 3X S+ 0 0 37 -4,-1.7 4,-0.7 1,-0.3 -1,-0.2 0.669 90.4 65.9 -55.9 -18.2 11.9 -0.5 10.1 196 866 A V H <> S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.4 -1,-0.3 0.855 92.5 62.5 -72.2 -34.6 15.3 1.1 10.1 197 867 A Q H S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 112.9 49.7 -58.7 -32.9 16.3 -4.7 10.1 199 869 A I H X S+ 0 0 4 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.924 109.7 49.7 -69.5 -45.7 18.0 -2.7 7.3 200 870 A A H X S+ 0 0 3 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.901 109.4 53.0 -59.6 -41.1 20.9 -1.7 9.5 201 871 A R H X S+ 0 0 109 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.950 110.4 46.5 -58.6 -51.4 21.3 -5.4 10.6 202 872 A E H X S+ 0 0 59 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.875 114.9 47.0 -60.4 -38.9 21.5 -6.5 6.9 203 873 A L H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.892 111.7 50.9 -70.2 -38.8 24.0 -3.7 6.1 204 874 A H H X S+ 0 0 16 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.928 111.3 48.2 -61.7 -46.8 26.0 -4.6 9.2 205 875 A Q H X S+ 0 0 70 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.949 113.0 47.9 -57.6 -51.4 26.1 -8.2 8.2 206 876 A F H X S+ 0 0 30 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 112.4 48.7 -55.9 -47.7 27.1 -7.3 4.6 207 877 A T H X S+ 0 0 20 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.892 110.6 51.6 -62.2 -41.6 29.9 -4.9 5.9 208 878 A F H X S+ 0 0 59 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.955 112.6 43.7 -60.9 -52.4 31.2 -7.6 8.3 209 879 A D H X S+ 0 0 71 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.904 112.9 53.4 -59.6 -41.8 31.5 -10.2 5.6 210 880 A L H < S+ 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 7,-0.2 0.878 108.6 48.9 -62.2 -40.4 33.0 -7.7 3.1 211 881 A L H >< S+ 0 0 28 -4,-2.3 3,-1.6 2,-0.2 4,-0.4 0.945 106.6 55.5 -64.1 -49.5 35.7 -6.7 5.6 212 882 A I H 3< S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.807 122.7 28.4 -54.0 -32.6 36.7 -10.3 6.4 213 883 A K T >X S+ 0 0 101 -4,-1.4 3,-1.9 -5,-0.2 4,-1.1 0.225 85.0 121.5-113.8 13.9 37.2 -10.9 2.7 214 884 A S H X>>S+ 0 0 27 -3,-1.6 5,-1.7 1,-0.3 3,-0.9 0.863 72.6 54.8 -41.1 -51.9 38.2 -7.3 1.8 215 885 A H H 345S+ 0 0 131 -4,-0.4 3,-0.3 1,-0.2 -1,-0.3 0.744 104.7 54.3 -58.3 -27.8 41.6 -8.4 0.4 216 886 A M H <45S+ 0 0 138 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.768 113.9 39.1 -80.0 -26.0 40.0 -10.9 -2.0 217 887 A V H <<5S- 0 0 31 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.268 108.3-117.2-107.5 10.7 37.7 -8.4 -3.6 218 888 A S T <5 + 0 0 84 -4,-0.5 2,-0.3 -3,-0.3 -3,-0.2 0.802 58.6 155.6 60.2 32.4 40.1 -5.4 -3.7 219 889 A V < - 0 0 11 -5,-1.7 2,-0.7 -9,-0.2 -1,-0.2 -0.729 36.8-139.2 -91.3 141.2 38.0 -3.2 -1.4 220 890 A D - 0 0 115 -192,-0.4 -184,-0.1 -2,-0.3 -185,-0.1 -0.874 15.8-167.7-106.3 108.4 39.7 -0.5 0.5 221 891 A F - 0 0 32 -2,-0.7 -189,-0.1 -10,-0.1 -185,-0.0 -0.801 27.6-115.6 -95.1 128.2 38.5 -0.0 4.1 222 892 A P > - 0 0 21 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.308 26.8-115.8 -59.2 146.5 39.7 3.1 5.9 223 893 A E H > S+ 0 0 147 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.874 114.4 45.3 -50.8 -44.2 42.0 2.4 8.9 224 894 A M H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 112.6 48.6 -69.6 -45.3 39.4 3.8 11.4 225 895 A M H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.870 108.5 54.4 -64.3 -37.6 36.4 2.1 9.9 226 896 A A H X S+ 0 0 25 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.937 109.7 47.3 -61.5 -47.3 38.0 -1.3 9.8 227 897 A E H X S+ 0 0 120 -4,-1.5 4,-1.6 -5,-0.2 5,-0.3 0.914 112.7 48.5 -60.6 -45.8 38.9 -1.2 13.5 228 898 A I H X>S+ 0 0 14 -4,-2.1 4,-2.9 1,-0.2 5,-0.7 0.888 112.0 49.7 -64.2 -39.0 35.4 -0.0 14.4 229 899 A I H X5S+ 0 0 6 -4,-2.4 4,-1.1 3,-0.2 -2,-0.2 0.946 110.3 49.7 -63.3 -49.7 33.8 -2.8 12.4 230 900 A S H <5S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.785 121.9 33.1 -62.6 -29.0 36.0 -5.5 13.8 231 901 A V H <5S+ 0 0 73 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.857 130.6 26.9 -95.7 -40.6 35.3 -4.4 17.4 232 902 A Q H >X5S+ 0 0 8 -4,-2.9 4,-1.2 -5,-0.3 3,-0.6 0.877 110.0 60.0 -93.7 -42.2 31.7 -3.2 17.3 233 903 A V H >X S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 6,-0.3 0.826 102.4 58.0 -62.1 -30.9 30.4 -8.4 15.9 235 905 A K H <4>S+ 0 0 72 -3,-0.6 6,-2.2 -4,-0.3 5,-1.5 0.861 111.2 43.3 -65.7 -34.9 28.8 -7.4 19.2 236 906 A I H X<5S+ 0 0 9 -4,-1.2 3,-1.1 -3,-0.5 -1,-0.2 0.932 115.6 45.8 -74.6 -49.4 25.7 -6.4 17.3 237 907 A L H 3<5S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.764 112.5 51.9 -67.0 -25.8 25.6 -9.5 15.1 238 908 A S T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.486 117.6-111.5 -89.8 -2.7 26.3 -11.8 18.0 239 909 A G T < 5S+ 0 0 31 -3,-1.1 -3,-0.2 2,-0.3 -91,-0.1 0.473 87.5 114.9 90.2 0.0 23.4 -10.3 20.0 240 910 A K S