==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE BINDING PROTEIN 05-JUN-09 3HQ5 . COMPND 2 MOLECULE: PROGESTERONE RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.P.MADAUSS,S.P.WILLIAMS,D.G.WASHBURN . 497 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 73.4 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 . 17 3.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 14 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 0 0 2 2 1 0 2 0 0 2 0 2 0 0 2 0 0 1 0 1 0 0 1 0 2 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 1 3 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 . 4 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 1 682 A Q 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.5 4.8 -20.6 60.2 2 683 A L + 0 0 138 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.555 360.0 81.4-110.8 -15.1 7.0 -22.4 57.6 3 684 A I S S- 0 0 42 1,-0.1 5,-0.0 2,-0.0 169,-0.0 -0.811 96.1-105.8 -85.7 129.9 6.2 -20.2 54.6 4 685 A P > - 0 0 19 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.289 24.1-122.6 -58.8 139.6 8.3 -17.0 54.8 5 686 A P H > S+ 0 0 108 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.757 109.1 55.2 -57.3 -31.4 6.4 -13.9 55.9 6 687 A L H > S+ 0 0 39 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.929 108.6 46.9 -67.8 -45.1 7.2 -11.9 52.7 7 688 A I H > S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.908 113.4 51.2 -61.2 -40.8 5.8 -14.7 50.4 8 689 A N H X S+ 0 0 81 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.887 109.2 49.1 -59.6 -44.5 2.8 -14.7 52.7 9 690 A L H X S+ 0 0 66 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.946 109.8 51.9 -60.1 -48.8 2.5 -10.9 52.4 10 691 A L H < S+ 0 0 2 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.868 107.6 53.2 -55.4 -40.8 2.7 -11.2 48.6 11 692 A M H >< S+ 0 0 50 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.905 108.5 50.1 -58.9 -44.1 -0.1 -13.9 48.7 12 693 A S H 3< S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.757 109.0 50.4 -70.1 -27.2 -2.3 -11.5 50.6 13 694 A I T 3< S+ 0 0 33 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.368 81.0 126.1 -94.5 5.9 -1.9 -8.6 48.3 14 695 A E < - 0 0 55 -3,-1.0 -3,-0.0 -4,-0.3 122,-0.0 -0.400 68.2-100.0 -64.0 136.0 -2.7 -10.6 45.1 15 696 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.144 31.6-116.5 -50.2 145.8 -5.4 -9.1 42.9 16 697 A D - 0 0 85 1,-0.2 2,-0.0 29,-0.0 29,-0.0 -0.197 58.4 -59.4 -67.9 173.8 -9.0 -10.4 43.0 17 698 A V - 0 0 89 1,-0.1 2,-0.5 79,-0.0 -1,-0.2 -0.348 55.2-150.0 -58.2 135.7 -10.5 -11.9 39.8 18 699 A I - 0 0 30 -3,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.961 5.8-155.9-117.1 121.9 -10.4 -9.5 36.9 19 700 A Y - 0 0 117 -2,-0.5 22,-0.1 77,-0.2 77,-0.0 -0.659 14.5-145.7 -92.4 148.3 -13.1 -9.8 34.1 20 701 A A - 0 0 0 -2,-0.3 -1,-0.1 2,-0.1 17,-0.1 0.754 36.4-125.1 -78.9 -27.3 -12.6 -8.5 30.6 21 702 A G + 0 0 44 1,-0.2 78,-0.0 16,-0.1 -2,-0.0 0.570 52.9 161.9 88.4 15.4 -16.3 -7.5 30.3 22 703 A H - 0 0 22 1,-0.1 2,-2.3 2,-0.1 -1,-0.2 -0.235 56.3-107.4 -71.5 151.6 -16.7 -9.6 27.1 23 704 A D 0 0 146 1,-0.2 -1,-0.1 7,-0.1 7,-0.0 -0.506 360.0 360.0 -71.9 73.4 -20.1 -10.7 25.6 24 705 A N 0 0 143 -2,-2.3 -1,-0.2 75,-0.0 -2,-0.1 -0.047 360.0 360.0 62.3 360.0 -19.2 -14.3 26.8 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 709 A D 0 0 97 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 46.3 -16.9 -13.2 18.0 27 710 A T > - 0 0 85 1,-0.0 4,-1.9 0, 0.0 5,-0.1 -0.650 360.0-108.3-107.4 168.1 -14.6 -11.1 15.7 28 711 A S H > S+ 0 0 37 -2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.573 117.1 56.2 -73.6 -11.2 -11.0 -9.9 16.2 29 712 A S H > S+ 0 0 44 2,-0.2 4,-2.3 3,-0.2 192,-0.3 0.853 110.9 42.0 -83.5 -42.6 -12.2 -6.3 16.7 30 713 A S H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.829 117.0 50.8 -69.3 -33.3 -14.6 -7.2 19.6 31 714 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.922 112.5 44.1 -68.0 -50.5 -11.8 -9.5 20.9 32 715 A L H X S+ 0 0 19 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.913 113.3 51.9 -62.6 -44.2 -9.1 -6.8 20.8 33 716 A T H X S+ 0 0 38 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.888 112.9 45.5 -56.1 -42.9 -11.6 -4.3 22.3 34 717 A S H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.825 112.2 50.7 -71.0 -35.3 -12.3 -6.8 25.1 35 718 A L H X S+ 0 0 29 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.815 110.0 51.6 -69.7 -31.4 -8.5 -7.5 25.5 36 719 A N H X S+ 0 0 15 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.867 108.6 49.2 -72.5 -39.9 -8.0 -3.7 25.7 37 720 A Q H X S+ 0 0 67 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.918 112.2 49.2 -60.8 -46.1 -10.6 -3.3 28.4 38 721 A L H X S+ 0 0 7 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.926 108.3 54.5 -57.3 -47.0 -8.9 -6.2 30.3 39 722 A G H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.871 107.0 50.2 -51.8 -43.1 -5.6 -4.4 29.8 40 723 A E H X S+ 0 0 23 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.878 113.4 45.2 -62.6 -41.9 -7.1 -1.2 31.4 41 724 A R H X S+ 0 0 98 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.830 112.0 52.0 -73.8 -35.5 -8.3 -3.2 34.4 42 725 A Q H X S+ 0 0 21 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.898 109.2 50.0 -66.0 -43.5 -5.0 -5.1 34.7 43 726 A L H X S+ 0 0 12 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 110.7 49.1 -62.2 -45.6 -3.0 -1.8 34.7 44 727 A L H X S+ 0 0 81 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.892 112.4 50.2 -56.5 -41.4 -5.3 -0.4 37.5 45 728 A S H X S+ 0 0 19 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.900 108.9 49.4 -67.3 -45.3 -4.8 -3.6 39.4 46 729 A V H X S+ 0 0 14 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.886 111.0 50.7 -60.3 -41.4 -1.0 -3.6 39.1 47 730 A V H X S+ 0 0 60 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.912 113.1 44.6 -64.6 -43.5 -0.8 0.1 40.3 48 731 A K H >< S+ 0 0 115 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.903 112.7 52.9 -66.0 -42.7 -3.0 -0.7 43.3 49 732 A W H >X S+ 0 0 14 -4,-2.7 3,-1.4 1,-0.2 4,-0.6 0.864 103.3 57.1 -55.9 -42.2 -0.9 -3.8 44.0 50 733 A S H 3< S+ 0 0 6 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.742 94.0 67.0 -67.6 -24.2 2.3 -1.8 43.9 51 734 A K T << S+ 0 0 138 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.677 110.9 35.8 -67.0 -21.1 1.1 0.5 46.7 52 735 A S T <4 S+ 0 0 72 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.428 88.8 111.2-108.8 -6.0 1.2 -2.6 49.1 53 736 A L S >X S- 0 0 1 -4,-0.6 3,-1.9 -3,-0.3 4,-0.6 -0.613 79.3-110.2 -76.1 116.3 4.3 -4.3 47.6 54 737 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.197 96.6 8.7 -55.9 131.4 7.1 -3.9 50.3 55 738 A G T >4 S+ 0 0 26 1,-0.0 3,-0.7 4,-0.0 4,-0.4 -0.005 104.7 93.8 93.8 -26.4 9.9 -1.6 49.3 56 739 A F G X4 S+ 0 0 0 -3,-1.9 3,-1.1 1,-0.2 -5,-0.1 0.857 78.6 53.9 -75.6 -39.7 8.1 -0.2 46.1 57 740 A R G 3< S+ 0 0 179 -4,-0.6 -1,-0.2 1,-0.2 4,-0.1 0.585 101.2 64.4 -67.7 -11.7 6.5 2.9 47.6 58 741 A N G < S+ 0 0 90 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.620 83.4 92.9 -90.9 -15.1 9.9 4.0 48.9 59 742 A L S < S- 0 0 5 -3,-1.1 5,-0.1 -4,-0.4 96,-0.0 -0.410 98.7 -80.0 -68.2 152.4 11.3 4.4 45.4 60 743 A H >> - 0 0 80 1,-0.1 4,-2.1 -2,-0.1 3,-0.9 -0.265 42.5-117.9 -50.3 138.2 11.1 7.9 43.8 61 744 A I H 3> S+ 0 0 106 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.870 115.0 52.2 -51.8 -45.5 7.6 8.5 42.4 62 745 A D H 3> S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.799 108.2 52.4 -60.7 -32.1 8.9 8.8 38.8 63 746 A D H <> S+ 0 0 6 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.901 108.7 50.4 -69.6 -42.4 10.7 5.5 39.2 64 747 A Q H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.940 113.1 44.7 -56.8 -51.6 7.5 3.8 40.4 65 748 A I H X S+ 0 0 83 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.912 115.0 48.9 -60.4 -47.2 5.6 5.2 37.4 66 749 A T H X S+ 0 0 29 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.889 111.0 48.9 -59.0 -45.2 8.4 4.2 35.0 67 750 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.872 112.3 48.5 -68.5 -37.2 8.7 0.7 36.3 68 751 A I H < S+ 0 0 12 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.877 114.4 46.4 -66.8 -41.9 4.9 0.1 36.1 69 752 A Q H >< S+ 0 0 32 -4,-2.1 3,-0.7 -5,-0.2 4,-0.4 0.916 112.9 49.1 -66.6 -46.0 4.8 1.4 32.5 70 753 A Y H 3< S+ 0 0 15 -4,-2.9 4,-0.3 1,-0.2 3,-0.3 0.893 119.1 38.3 -57.1 -43.9 7.9 -0.6 31.5 71 754 A S T 3X S+ 0 0 4 -4,-1.9 4,-2.9 72,-0.2 5,-0.3 0.320 83.5 105.0 -97.9 7.4 6.5 -3.9 32.9 72 755 A W H <> S+ 0 0 5 -3,-0.7 4,-1.8 -4,-0.5 -1,-0.2 0.945 89.7 35.4 -52.8 -58.0 2.8 -3.4 32.0 73 756 A M H > S+ 0 0 22 -4,-0.4 4,-2.4 -3,-0.3 5,-0.2 0.882 116.8 55.2 -66.5 -40.2 2.8 -6.0 29.1 74 757 A S H > S+ 0 0 11 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.910 110.1 44.7 -59.5 -47.3 5.3 -8.3 30.9 75 758 A L H X S+ 0 0 10 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.853 112.0 53.3 -67.1 -36.0 3.2 -8.6 34.0 76 759 A M H X S+ 0 0 35 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.935 113.3 41.7 -63.2 -46.7 -0.0 -9.1 32.0 77 760 A V H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.845 114.5 52.1 -70.8 -36.1 1.5 -12.0 29.9 78 761 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.873 111.3 46.9 -66.6 -40.9 3.1 -13.5 33.0 79 762 A G H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.855 109.3 54.9 -65.8 -38.4 -0.3 -13.4 34.9 80 763 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 14,-0.4 0.900 106.3 52.0 -58.8 -43.0 -1.9 -14.9 31.8 81 764 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.912 110.9 47.7 -58.4 -46.2 0.7 -17.8 32.0 82 765 A W H X S+ 0 0 26 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.960 113.9 44.4 -60.4 -56.4 -0.2 -18.4 35.7 83 766 A R H X S+ 0 0 48 -4,-2.6 4,-3.1 2,-0.2 5,-0.5 0.894 114.0 50.1 -57.6 -42.9 -4.0 -18.4 35.2 84 767 A S H X S+ 0 0 0 -4,-2.4 6,-2.5 -5,-0.2 4,-1.7 0.922 114.8 45.2 -61.8 -46.3 -3.8 -20.6 32.1 85 768 A Y H X S+ 0 0 50 -4,-2.2 4,-0.8 4,-0.3 -2,-0.2 0.919 119.0 41.8 -55.6 -52.8 -1.5 -23.0 34.0 86 769 A K H < S+ 0 0 127 -4,-3.3 -2,-0.2 -5,-0.1 -3,-0.2 0.857 126.3 27.6 -69.6 -40.4 -3.8 -22.9 37.2 87 770 A H H < S+ 0 0 117 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.703 135.4 20.2-100.7 -24.7 -7.2 -23.1 35.6 88 771 A V H >< S- 0 0 30 -4,-1.7 3,-2.1 -5,-0.5 -3,-0.2 0.141 99.2-110.6-136.7 18.6 -6.8 -24.9 32.3 89 772 A S T 3< S- 0 0 84 -4,-0.8 -4,-0.3 1,-0.3 -3,-0.1 0.768 71.9 -65.5 57.3 30.6 -3.5 -26.8 32.6 90 773 A G T 3 S+ 0 0 0 -6,-2.5 -1,-0.3 2,-0.2 -5,-0.2 0.445 115.7 110.5 76.1 1.9 -1.8 -24.6 30.0 91 774 A Q S < S+ 0 0 126 -3,-2.1 2,-0.3 -7,-0.4 -2,-0.1 0.311 77.6 31.7-100.2 7.7 -4.1 -25.9 27.3 92 775 A M S S- 0 0 67 -8,-0.2 2,-0.9 10,-0.1 10,-0.2 -0.955 86.7-107.0-148.1 161.6 -6.1 -22.6 26.8 93 776 A L E -A 101 0A 0 8,-2.8 8,-2.2 -2,-0.3 2,-1.6 -0.825 30.5-162.5 -92.6 102.7 -5.3 -18.9 27.1 94 777 A Y E +A 100 0A 33 -2,-0.9 6,-0.2 -14,-0.4 -10,-0.1 -0.578 26.3 157.5 -88.2 74.7 -7.1 -17.9 30.3 95 778 A F E S- 0 0 15 -2,-1.6 -1,-0.2 4,-1.1 5,-0.2 0.922 74.8 -25.1 -62.9 -43.3 -7.1 -14.1 29.8 96 779 A A E > S-A 99 0A 0 3,-1.5 3,-2.2 -3,-0.3 -1,-0.3 -0.956 70.7 -95.0-160.9 163.6 -10.1 -13.8 32.2 97 780 A P T 3 S+ 0 0 41 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.813 129.7 43.8 -57.0 -29.3 -12.9 -16.0 33.4 98 781 A D T 3 S+ 0 0 32 1,-0.2 2,-0.2 -4,-0.0 -79,-0.1 0.225 115.4 51.0 -97.0 12.2 -15.1 -14.4 30.7 99 782 A L E < +A 96 0A 0 -3,-2.2 -3,-1.5 -78,-0.0 -4,-1.1 -0.636 62.5 153.6-152.0 84.1 -12.3 -14.6 28.0 100 783 A I E -A 94 0A 44 -6,-0.2 2,-0.6 -3,-0.2 -6,-0.2 -0.973 26.8-155.4-116.3 118.8 -10.7 -18.0 27.5 101 784 A L E +A 93 0A 0 -8,-2.2 -8,-2.8 -2,-0.5 3,-0.1 -0.870 23.0 160.6-104.3 118.4 -9.3 -18.7 24.1 102 785 A N + 0 0 66 -2,-0.6 3,-0.4 1,-0.2 2,-0.2 -0.009 61.8 5.5-107.9-151.6 -8.9 -22.4 23.0 103 786 A E S S- 0 0 190 1,-0.2 -1,-0.2 2,-0.1 -11,-0.0 -0.172 128.5 -61.0 -40.0 103.0 -8.6 -24.2 19.6 104 787 A Q 0 0 47 -2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.724 360.0 360.0 -36.9 137.7 -8.3 -20.8 18.1 105 788 A R 0 0 72 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 -0.315 360.0 360.0 -92.2 360.0 -11.2 -18.4 18.5 106 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 107 790 A K 0 0 132 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0-177.5 -8.5 -18.5 13.5 108 791 A E + 0 0 184 -4,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.892 360.0 87.1-113.4 108.5 -5.8 -17.4 11.0 109 792 A S S > S- 0 0 53 -2,-0.6 4,-1.0 1,-0.1 3,-0.0 -0.960 86.4 -79.2-170.3-176.5 -4.1 -14.0 11.2 110 793 A S H > S+ 0 0 72 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 0.874 123.0 62.7 -59.8 -39.1 -1.2 -12.1 12.8 111 794 A F H > S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.907 103.0 46.1 -52.7 -49.2 -3.4 -11.9 16.1 112 795 A Y H > S+ 0 0 9 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.750 106.1 60.3 -75.2 -21.8 -3.4 -15.6 16.5 113 796 A S H X S+ 0 0 67 -4,-1.0 4,-1.0 -3,-0.3 -1,-0.2 0.881 104.3 49.8 -66.6 -40.5 0.3 -15.9 15.9 114 797 A L H X S+ 0 0 20 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.825 104.1 59.6 -67.8 -32.5 1.0 -13.7 18.9 115 798 A C H X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.857 102.8 52.5 -60.8 -36.8 -1.3 -15.9 21.0 116 799 A L H < S+ 0 0 108 -4,-1.2 4,-0.3 2,-0.2 -1,-0.2 0.771 109.0 49.7 -69.4 -29.5 1.0 -18.8 20.2 117 800 A T H >< S+ 0 0 18 -4,-1.0 3,-1.2 2,-0.2 4,-0.3 0.902 111.5 47.2 -71.6 -47.0 4.0 -16.8 21.4 118 801 A M H >< S+ 0 0 27 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.816 102.7 67.4 -58.8 -31.8 2.1 -15.9 24.6 119 802 A W T 3X S+ 0 0 28 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.681 82.9 74.9 -66.3 -19.5 1.2 -19.6 24.9 120 803 A Q H <> S+ 0 0 96 -3,-1.2 4,-1.9 -4,-0.3 -1,-0.2 0.812 90.0 56.1 -60.6 -35.1 4.9 -20.4 25.5 121 804 A I H <> S+ 0 0 5 -3,-1.2 4,-1.8 -4,-0.3 -1,-0.2 0.927 107.0 45.2 -70.7 -49.1 4.8 -19.1 29.1 122 805 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.861 113.6 52.4 -57.4 -39.2 1.9 -21.3 30.4 123 806 A Q H X S+ 0 0 92 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.884 109.6 49.0 -61.8 -42.1 3.6 -24.3 28.7 124 807 A E H X S+ 0 0 58 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.804 109.4 51.3 -66.9 -34.4 6.8 -23.4 30.5 125 808 A F H X>S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 5,-1.3 0.900 112.7 46.3 -68.0 -43.0 4.9 -23.1 33.9 126 809 A V H <5S+ 0 0 55 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.916 115.3 47.1 -61.2 -46.5 3.4 -26.6 33.2 127 810 A K H <5S+ 0 0 147 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 122.1 33.8 -61.1 -49.9 6.9 -28.0 32.2 128 811 A L H <5S- 0 0 20 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.686 100.4-134.5 -81.9 -18.8 8.7 -26.5 35.2 129 812 A Q T <5 - 0 0 122 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.963 26.1-154.1 59.5 56.5 5.8 -26.9 37.6 130 813 A V < - 0 0 1 -5,-1.3 -1,-0.1 -6,-0.1 2,-0.1 -0.370 4.6-136.8 -63.7 130.8 6.2 -23.4 39.0 131 814 A S > - 0 0 17 1,-0.1 4,-2.3 -2,-0.1 5,-0.1 -0.443 20.4-114.6 -80.3 163.7 4.8 -23.0 42.6 132 815 A Q H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.869 118.6 56.4 -64.0 -34.9 2.7 -20.0 43.7 133 816 A E H > S+ 0 0 42 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.895 110.7 43.3 -63.4 -42.2 5.6 -19.1 46.1 134 817 A E H > S+ 0 0 0 38,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 112.6 52.8 -65.9 -48.2 8.1 -19.0 43.1 135 818 A F H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.870 105.9 53.1 -54.9 -45.4 5.6 -17.2 40.8 136 819 A L H X S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.880 113.1 42.9 -63.8 -40.9 5.0 -14.3 43.3 137 820 A C H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.854 113.3 52.5 -71.9 -38.9 8.7 -13.6 43.8 138 821 A M H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.825 105.1 57.5 -63.5 -33.3 9.3 -13.9 40.0 139 822 A K H X S+ 0 0 17 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.853 105.3 47.8 -66.6 -39.7 6.5 -11.4 39.4 140 823 A V H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.896 110.3 52.9 -66.7 -41.1 8.2 -8.7 41.5 141 824 A L H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.852 106.7 53.9 -62.6 -34.4 11.4 -9.3 39.7 142 825 A L H >< S+ 0 0 6 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.874 105.9 51.4 -61.8 -44.9 9.5 -8.8 36.4 143 826 A L H 3< S+ 0 0 1 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.861 117.0 41.6 -58.3 -35.5 8.3 -5.5 37.6 144 827 A L T 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.062 87.5 102.6 -97.7 24.1 11.9 -4.7 38.4 145 828 A N S < S+ 0 0 2 -3,-1.4 100,-3.0 -78,-0.1 2,-0.3 0.443 77.3 40.0 -97.9 1.1 13.4 -6.2 35.2 146 829 A T E +B 244 0B 22 -3,-0.3 -76,-0.1 98,-0.3 -1,-0.1 -0.989 59.4 179.9-149.1 139.2 14.1 -3.0 33.1 147 830 A I E -B 243 0B 7 96,-2.4 96,-3.8 -2,-0.3 5,-0.0 -0.842 38.2 -85.3-130.8 163.8 15.4 0.4 34.0 148 831 A P E > -B 242 0B 11 0, 0.0 3,-1.8 0, 0.0 94,-0.2 -0.317 40.9-110.6 -63.1 157.9 16.2 3.6 32.0 149 832 A L T 3 S+ 0 0 102 92,-0.6 93,-0.1 1,-0.3 3,-0.1 0.892 123.6 46.0 -56.7 -42.4 19.5 3.9 30.2 150 833 A E T 3 S- 0 0 160 1,-0.2 -1,-0.3 0, 0.0 92,-0.0 0.376 117.9-125.0 -79.1 3.5 20.5 6.7 32.7 151 834 A G < - 0 0 19 -3,-1.8 -1,-0.2 3,-0.0 2,-0.2 -0.113 36.7 -52.8 76.7-178.3 19.2 4.4 35.5 152 835 A L > - 0 0 14 1,-0.1 3,-0.8 -3,-0.1 4,-0.1 -0.485 36.7-123.8 -91.9 159.9 16.7 5.3 38.2 153 836 A R T 3 S+ 0 0 170 1,-0.3 2,-0.6 -2,-0.2 3,-0.3 0.918 117.1 41.3 -64.2 -43.7 16.6 8.3 40.6 154 837 A S T 3> S+ 0 0 18 1,-0.2 4,-2.3 -94,-0.1 -1,-0.3 -0.407 74.8 147.5-101.2 55.3 16.5 5.8 43.5 155 838 A Q H <> + 0 0 49 -3,-0.8 4,-2.0 -2,-0.6 -1,-0.2 0.852 69.7 51.5 -59.9 -39.6 19.0 3.4 42.0 156 839 A T H > S+ 0 0 106 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.960 112.7 43.6 -64.6 -52.7 20.4 2.3 45.5 157 840 A Q H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.870 113.8 53.2 -56.7 -40.9 16.9 1.5 46.9 158 841 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.882 108.0 50.0 -61.3 -41.0 16.0 -0.2 43.7 159 842 A E H X S+ 0 0 92 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.867 111.4 48.1 -66.7 -41.6 19.1 -2.4 43.9 160 843 A E H X S+ 0 0 118 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.893 111.5 50.4 -66.1 -41.7 18.4 -3.4 47.5 161 844 A M H X S+ 0 0 12 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.936 110.6 49.0 -64.4 -47.3 14.7 -4.2 46.6 162 845 A R H X S+ 0 0 25 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 111.9 49.1 -55.4 -47.5 15.8 -6.4 43.7 163 846 A S H X S+ 0 0 52 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.848 108.6 53.9 -60.6 -38.5 18.4 -8.3 45.9 164 847 A S H X S+ 0 0 44 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.887 112.1 43.2 -64.5 -40.6 15.8 -8.8 48.6 165 848 A Y H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.774 109.9 55.6 -81.0 -26.9 13.3 -10.5 46.2 166 849 A I H X S+ 0 0 40 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.914 110.0 48.3 -62.7 -42.8 16.1 -12.5 44.5 167 850 A R H X S+ 0 0 138 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.875 110.5 51.4 -62.6 -37.7 16.8 -13.8 48.1 168 851 A E H X S+ 0 0 8 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.808 105.3 54.3 -72.5 -31.9 13.1 -14.5 48.5 169 852 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.895 107.4 51.8 -64.2 -41.5 12.9 -16.5 45.2 170 853 A I H X S+ 0 0 90 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.894 109.8 48.4 -62.4 -42.0 15.7 -18.6 46.6 171 854 A K H X S+ 0 0 105 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.912 110.6 52.3 -59.6 -43.4 13.7 -19.2 49.8 172 855 A A H >< S+ 0 0 0 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-2,-0.2 0.894 114.7 48.1 -70.3 -43.4 18.9 -29.1 42.3 183 866 A S H X S+ 0 0 37 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.789 113.8 49.0 -67.4 -28.2 17.9 -25.8 43.9 184 867 A S H > S+ 0 0 76 -4,-0.4 4,-1.9 -5,-0.3 -2,-0.2 0.850 110.7 49.1 -78.1 -39.4 20.7 -24.1 42.0 185 868 A Q H X S+ 0 0 117 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 111.8 50.2 -61.0 -44.4 19.7 -25.7 38.7 186 869 A R H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.846 107.5 53.2 -66.0 -35.5 16.1 -24.6 39.4 187 870 A F H X S+ 0 0 47 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.912 109.5 49.6 -62.6 -43.1 17.2 -21.0 40.1 188 871 A Y H X S+ 0 0 119 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.946 113.1 47.1 -56.9 -49.1 19.0 -21.1 36.7 189 872 A Q H X S+ 0 0 89 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.831 114.7 44.5 -63.5 -38.7 15.8 -22.3 35.1 190 873 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.910 115.9 45.1 -76.7 -42.9 13.5 -19.8 36.7 191 874 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 56,-0.4 0.772 110.0 56.6 -71.4 -27.0 15.7 -16.8 36.2 192 875 A K H X S+ 0 0 67 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.851 102.5 55.8 -69.1 -34.8 16.4 -17.9 32.6 193 876 A L H X S+ 0 0 13 -4,-1.2 4,-0.8 2,-0.2 -2,-0.2 0.913 107.7 48.7 -62.0 -42.9 12.6 -17.8 32.0 194 877 A L H >X S+ 0 0 0 -4,-1.4 3,-0.8 2,-0.2 4,-0.6 0.924 110.7 50.6 -62.3 -45.8 12.6 -14.2 33.1 195 878 A D H >X S+ 0 0 7 -4,-2.0 3,-1.5 1,-0.2 4,-0.5 0.949 108.3 52.5 -53.7 -52.4 15.5 -13.3 30.8 196 879 A N H 3X S+ 0 0 86 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.648 94.5 72.3 -61.0 -19.6 13.8 -15.0 27.8 197 880 A L H X S+ 0 0 14 -4,-1.3 4,-1.3 1,-0.2 3,-0.5 0.921 110.9 50.9 -66.7 -47.7 8.9 -12.4 23.9 201 884 A V H 3X S+ 0 0 5 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.786 100.5 64.3 -65.3 -27.9 7.6 -9.1 25.2 202 885 A K H 3X S+ 0 0 65 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.904 103.3 47.9 -61.0 -41.7 9.3 -7.2 22.4 203 886 A Q H < S+ 0 0 33 -4,-2.1 3,-1.4 1,-0.2 4,-0.2 0.920 107.0 49.9 -64.6 -46.9 -2.8 1.1 18.5 213 896 A I H 3< S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.705 118.6 39.0 -72.6 -17.2 -1.7 3.4 15.6 214 897 A Q T 3X S+ 0 0 77 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0.932 112.3 44.1 -61.6 -48.3 9.4 -1.8 -4.4 317 748 B I H X S+ 0 0 82 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.942 114.3 50.3 -60.4 -49.4 6.8 -0.6 -1.8 318 749 B T H X S+ 0 0 25 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.899 109.9 49.0 -59.4 -44.3 8.8 -2.0 1.1 319 750 B L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.858 113.7 47.1 -66.5 -35.7 12.1 -0.4 -0.1 320 751 B I H X S+ 0 0 14 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.920 114.0 47.6 -66.8 -45.2 10.3 3.0 -0.5 321 752 B Q H < S+ 0 0 18 -4,-3.0 4,-0.2 1,-0.2 -2,-0.2 0.830 115.9 44.6 -67.3 -34.3 8.7 2.6 3.0 322 753 B Y H < S+ 0 0 10 -4,-2.5 4,-0.3 -5,-0.2 3,-0.3 0.888 121.2 38.0 -68.9 -42.0 12.0 1.6 4.6 323 754 B S H X S+ 0 0 5 -4,-1.9 4,-2.7 -5,-0.2 5,-0.3 0.451 82.4 101.0 -97.9 -2.7 14.1 4.3 2.9 324 755 B W H X S+ 0 0 7 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.865 87.5 42.0 -58.0 -44.3 11.8 7.4 2.8 325 756 B M H > S+ 0 0 17 -3,-0.3 4,-2.3 -4,-0.2 5,-0.2 0.901 115.3 51.1 -69.3 -40.8 13.3 9.2 5.8 326 757 B S H > S+ 0 0 16 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.931 111.9 47.0 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