==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GTPASE ACTIVATION 20-NOV-96 1WER . COMPND 2 MOLECULE: P120GAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.SCHEFFZEK,A.LAUTWEIN,W.KABSCH,M.R.AHMADIAN,A.WITTINGHOFER . 324 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 72.8 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 1 1 1 1 1 0 0 2 1 1 0 2 2 0 2 0 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 718 A M 0 0 64 0, 0.0 278,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 165.0 -9.6 18.8 36.9 2 719 A P > - 0 0 75 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.245 360.0-114.1 -50.5 143.8 -10.8 22.4 36.9 3 720 A E G > S+ 0 0 33 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.859 115.1 62.5 -52.8 -38.1 -8.6 24.8 34.9 4 721 A E G > S+ 0 0 136 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.844 91.4 65.6 -59.8 -31.5 -7.6 26.6 38.0 5 722 A E G < S+ 0 0 63 -3,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.658 102.1 49.3 -66.8 -15.3 -6.0 23.4 39.4 6 723 A Y G <> S+ 0 0 3 -3,-2.0 4,-2.7 -4,-0.4 -1,-0.3 0.346 79.1 102.6-101.2 3.0 -3.4 23.6 36.6 7 724 A S H <> S+ 0 0 76 -3,-1.9 4,-1.4 1,-0.2 -1,-0.1 0.743 80.7 49.8 -65.6 -28.8 -2.5 27.2 37.1 8 725 A E H > S+ 0 0 57 -4,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.930 112.9 46.2 -69.8 -46.1 0.8 26.4 38.9 9 726 A F H > S+ 0 0 0 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.929 112.4 52.9 -61.2 -41.5 1.9 23.9 36.1 10 727 A K H X S+ 0 0 14 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.859 104.4 52.2 -68.3 -36.7 0.9 26.5 33.5 11 728 A E H < S+ 0 0 107 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.887 108.9 52.9 -73.2 -27.5 2.9 29.4 34.8 12 729 A L H >< S+ 0 0 9 -4,-1.6 3,-1.1 1,-0.2 8,-0.3 0.945 109.8 48.0 -62.6 -49.0 6.0 27.1 34.9 13 730 A I H 3< S+ 0 0 0 -4,-1.9 8,-0.2 1,-0.2 -2,-0.2 0.811 109.2 53.2 -64.2 -34.9 5.5 26.2 31.2 14 731 A L T 3< S+ 0 0 11 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.499 78.0 126.4 -85.5 0.1 5.0 29.8 30.1 15 732 A Q X - 0 0 56 -3,-1.1 3,-2.0 -4,-0.5 5,-0.1 -0.290 68.7-121.6 -61.8 142.2 8.2 31.1 31.6 16 733 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.666 107.3 61.9 -62.8 -25.9 10.5 32.9 29.1 17 734 A E T 3 S- 0 0 78 1,-0.1 -1,-0.3 285,-0.0 -2,-0.1 0.637 90.9-148.2 -75.7 -16.4 13.5 30.6 29.6 18 735 A L <> + 0 0 2 -3,-2.0 4,-2.4 -6,-0.1 5,-0.2 0.701 42.9 149.7 54.8 33.5 11.4 27.7 28.3 19 736 A H H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.878 71.7 49.6 -65.6 -35.5 13.3 25.1 30.4 20 737 A V H > S+ 0 0 1 -8,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.925 110.1 51.0 -67.0 -44.5 10.2 22.9 30.7 21 738 A V H > S+ 0 0 0 -8,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 111.0 48.9 -58.2 -42.2 9.7 23.0 27.0 22 739 A Y H X S+ 0 0 38 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.882 111.4 48.3 -64.6 -42.7 13.3 22.0 26.4 23 740 A A H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.904 112.5 49.8 -64.5 -41.3 13.2 19.1 28.9 24 741 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.893 108.4 51.5 -64.7 -42.2 9.9 17.9 27.2 25 742 A S H < S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.902 110.7 51.4 -66.1 -32.1 11.4 18.0 23.7 26 743 A H H < S+ 0 0 121 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.974 113.4 40.6 -64.1 -54.4 14.3 16.0 25.0 27 744 A V H < S+ 0 0 5 -4,-2.4 2,-0.8 -5,-0.1 -2,-0.2 0.792 105.2 71.9 -72.6 -26.2 12.3 13.2 26.6 28 745 A C < + 0 0 7 -4,-2.3 -1,-0.1 -5,-0.2 256,-0.0 -0.806 60.3 160.9 -88.7 105.0 9.8 13.1 23.7 29 746 A G S > S+ 0 0 45 -2,-0.8 3,-0.6 2,-0.1 -1,-0.2 0.916 72.5 13.2 -89.3 -73.9 11.7 11.5 20.9 30 747 A Q T > S+ 0 0 162 1,-0.2 2,-0.9 2,-0.1 3,-0.7 0.898 118.5 69.7 -68.9 -39.4 9.4 10.2 18.2 31 748 A D T 3> + 0 0 99 1,-0.3 4,-2.0 2,-0.1 -1,-0.2 -0.051 53.8 124.5 -87.8 36.6 6.3 11.9 19.5 32 749 A R H <> S+ 0 0 67 -2,-0.9 4,-3.0 -3,-0.6 -1,-0.3 0.840 70.3 62.6 -44.5 -45.3 7.4 15.4 18.6 33 750 A T H <> S+ 0 0 91 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.927 105.6 41.7 -57.5 -50.7 4.2 15.7 16.7 34 751 A L H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.947 115.6 49.2 -61.9 -52.7 1.9 15.3 19.8 35 752 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.934 110.4 52.1 -53.3 -46.4 4.1 17.6 21.9 36 753 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.915 108.7 50.5 -57.1 -46.1 4.1 20.2 19.2 37 754 A S H X S+ 0 0 28 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.867 114.1 43.1 -58.8 -46.5 0.3 20.2 18.9 38 755 A I H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.938 115.1 48.7 -69.8 -46.1 -0.2 20.6 22.6 39 756 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.914 110.6 50.8 -62.6 -42.3 2.4 23.3 23.1 40 757 A L H X S+ 0 0 5 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.929 111.0 48.0 -64.7 -43.0 1.2 25.3 20.1 41 758 A R H X S+ 0 0 123 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.911 113.9 47.7 -61.1 -41.5 -2.4 25.3 21.4 42 759 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.969 116.6 41.3 -65.2 -49.8 -1.3 26.3 24.9 43 760 A F H <>S+ 0 0 0 -4,-2.9 5,-3.1 1,-0.2 6,-0.6 0.844 114.5 52.4 -72.3 -29.8 1.0 29.1 23.8 44 761 A L H ><5S+ 0 0 62 -4,-2.6 3,-2.1 -5,-0.3 -1,-0.2 0.944 104.6 56.2 -66.4 -45.2 -1.6 30.3 21.2 45 762 A H H 3<5S+ 0 0 31 -4,-2.4 225,-0.3 1,-0.3 -2,-0.2 0.861 112.1 43.4 -53.7 -34.5 -4.3 30.4 23.8 46 763 A E T 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.293 113.1-115.1 -97.1 3.1 -2.0 32.8 25.8 47 764 A K T < 5S+ 0 0 57 -3,-2.1 -3,-0.2 -5,-0.1 3,-0.2 0.795 87.0 115.0 62.7 33.3 -0.9 35.0 22.9 48 765 A L >< + 0 0 59 -5,-3.1 4,-2.1 -6,-0.2 3,-0.3 0.148 25.1 117.5-119.4 22.1 2.6 33.7 23.4 49 766 A E H > S+ 0 0 13 -6,-0.6 4,-2.6 1,-0.2 5,-0.2 0.826 78.4 52.2 -57.7 -35.8 3.1 31.8 20.1 50 767 A S H > S+ 0 0 9 2,-0.2 4,-2.5 -3,-0.2 5,-0.5 0.865 104.9 54.3 -68.6 -40.0 5.9 34.2 19.2 51 768 A L H > S+ 0 0 48 -3,-0.3 4,-1.6 3,-0.2 5,-0.2 0.943 114.5 42.4 -56.6 -46.6 7.7 33.6 22.5 52 769 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.969 121.6 37.4 -64.6 -54.9 7.6 29.9 21.8 53 770 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.927 117.9 48.1 -68.4 -46.2 8.6 30.0 18.1 54 771 A C H X S+ 0 0 24 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.905 113.7 47.9 -64.2 -38.5 11.1 32.8 18.2 55 772 A T H X S+ 0 0 41 -4,-1.6 4,-2.1 -5,-0.5 -1,-0.2 0.943 113.7 45.3 -69.0 -46.9 12.9 31.3 21.2 56 773 A L H X S+ 0 0 6 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.873 113.0 51.8 -65.2 -35.7 13.1 27.8 19.7 57 774 A N H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.934 109.4 48.7 -67.1 -42.8 14.2 29.2 16.4 58 775 A D H X S+ 0 0 75 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.876 109.0 54.4 -67.0 -32.8 17.0 31.2 17.9 59 776 A R H X S+ 0 0 98 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.935 108.8 47.5 -66.0 -44.4 18.1 28.2 19.9 60 777 A E H X S+ 0 0 49 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.924 112.1 50.4 -59.4 -46.2 18.4 26.1 16.7 61 778 A I H >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.930 109.5 50.8 -59.6 -42.4 20.3 29.0 14.9 62 779 A S H 3< S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.5 49.5 -66.0 -32.6 22.8 29.3 17.9 63 780 A M H 3< S+ 0 0 92 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.510 87.1 103.8 -84.1 -8.4 23.5 25.5 17.9 64 781 A E << - 0 0 33 -3,-1.1 3,-0.1 -4,-0.6 6,-0.1 -0.683 43.0-178.8 -84.5 123.8 24.2 25.3 14.1 65 782 A D S S+ 0 0 146 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.312 75.0 47.7-104.0 8.6 27.9 25.1 13.2 66 783 A E > - 0 0 91 1,-0.1 3,-2.0 0, 0.0 -1,-0.2 -0.826 67.0-156.7-149.4 111.1 27.3 25.0 9.4 67 784 A A G > S+ 0 0 10 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.697 89.7 67.5 -62.1 -21.2 25.0 27.6 7.9 68 785 A T G 3 S+ 0 0 72 1,-0.2 -1,-0.3 4,-0.0 0, 0.0 0.732 102.5 45.4 -72.4 -23.6 24.3 25.4 4.9 69 786 A T G X S+ 0 0 60 -3,-2.0 3,-2.0 2,-0.0 4,-0.5 0.265 80.0 146.3-101.5 11.9 22.4 22.9 6.9 70 787 A L T < S- 0 0 17 -3,-1.1 -9,-0.1 1,-0.3 -3,-0.1 -0.260 77.4 -9.9 -62.6 123.7 20.3 25.4 8.9 71 788 A F T 3 S+ 0 0 15 -11,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.578 96.6 121.1 68.3 15.7 16.9 24.0 9.8 72 789 A R < + 0 0 162 -3,-2.0 -2,-0.1 2,-0.1 -1,-0.1 0.912 55.7 77.3 -76.0 -36.8 17.2 21.0 7.5 73 790 A A S S- 0 0 65 -4,-0.5 2,-0.7 1,-0.1 5,-0.1 -0.197 93.7-103.9 -71.4 156.3 16.7 18.4 10.3 74 791 A T + 0 0 90 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.777 57.8 159.0 -80.3 112.8 13.3 17.6 11.7 75 792 A T > - 0 0 25 -2,-0.7 4,-2.5 -4,-0.1 5,-0.2 -0.860 58.5-104.0-126.9 170.8 13.2 19.4 15.1 76 793 A L H > S+ 0 0 17 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.930 123.2 54.7 -57.4 -41.4 10.5 20.6 17.6 77 794 A A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 111.0 41.4 -57.0 -51.3 11.3 24.1 16.2 78 795 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 114.8 52.3 -70.2 -32.4 10.6 23.1 12.6 79 796 A T H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.917 109.7 48.8 -70.1 -40.3 7.6 21.0 13.5 80 797 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.943 110.5 51.3 -62.1 -44.7 6.1 23.9 15.5 81 798 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.916 110.6 48.5 -60.9 -40.9 6.7 26.3 12.5 82 799 A E H X S+ 0 0 71 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.953 113.9 45.2 -66.3 -45.5 5.0 23.9 10.1 83 800 A Q H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.881 114.6 49.9 -61.7 -40.0 1.9 23.4 12.4 84 801 A Y H X S+ 0 0 6 -4,-2.8 4,-1.5 -5,-0.2 5,-0.2 0.929 111.8 45.8 -68.2 -46.3 1.8 27.2 13.0 85 802 A M H X S+ 0 0 1 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.889 111.5 53.9 -63.9 -38.0 2.0 28.1 9.3 86 803 A K H < S+ 0 0 95 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.959 111.5 45.8 -60.0 -43.0 -0.6 25.4 8.6 87 804 A A H < S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.746 129.3 20.8 -70.5 -28.7 -2.9 27.0 11.2 88 805 A T H < S+ 0 0 40 -4,-1.5 3,-0.4 -3,-0.2 4,-0.2 0.634 111.4 62.4-120.1 -20.1 -2.5 30.6 10.1 89 806 A A X + 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.224 63.7 110.9-103.1 18.9 -1.2 30.9 6.5 90 807 A T H > S+ 0 0 54 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.877 79.0 50.8 -60.4 -40.0 -4.1 29.3 4.6 91 808 A Q H > S+ 0 0 138 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.913 111.2 48.3 -68.7 -37.3 -5.2 32.5 3.0 92 809 A F H > S+ 0 0 0 56,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.940 112.1 49.5 -62.2 -48.1 -1.7 33.2 1.8 93 810 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.5 0.915 114.0 45.3 -62.4 -39.8 -1.4 29.7 0.4 94 811 A H H X S+ 0 0 50 -4,-2.7 4,-2.0 2,-0.2 5,-0.5 0.962 114.3 47.6 -67.8 -49.0 -4.8 30.0 -1.4 95 812 A H H < S+ 0 0 111 -4,-2.9 -2,-0.2 1,-0.2 4,-0.2 0.911 119.5 41.5 -55.6 -41.6 -4.0 33.5 -2.8 96 813 A A H < S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.879 133.4 11.2 -71.3 -41.5 -0.5 32.2 -3.9 97 814 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.685 96.4 86.9-119.4 -30.9 -1.5 28.8 -5.3 98 815 A K H X S+ 0 0 66 -4,-2.0 4,-2.6 -5,-0.5 5,-0.2 0.902 94.8 43.0 -52.9 -53.2 -5.2 28.1 -5.8 99 816 A D H > S+ 0 0 89 -5,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.868 115.9 48.6 -62.2 -41.7 -5.8 29.5 -9.3 100 817 A S H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 113.8 46.5 -64.8 -42.9 -2.5 28.0 -10.7 101 818 A I H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.922 109.8 52.1 -69.7 -39.6 -3.2 24.6 -9.3 102 819 A L H X S+ 0 0 58 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.860 109.9 50.7 -66.6 -34.2 -6.9 24.5 -10.4 103 820 A K H >X S+ 0 0 126 -4,-1.6 4,-0.8 -5,-0.2 3,-0.5 0.924 110.2 49.1 -64.5 -44.7 -5.7 25.4 -13.9 104 821 A I H >< S+ 0 0 13 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.931 107.7 55.2 -61.1 -42.7 -3.1 22.6 -13.8 105 822 A M H 3< S+ 0 0 35 -4,-2.8 101,-0.2 1,-0.3 -1,-0.2 0.781 114.2 40.9 -58.5 -29.5 -5.8 20.1 -12.6 106 823 A E H << S+ 0 0 169 -4,-0.9 -1,-0.3 -3,-0.5 2,-0.2 0.489 94.6 107.6 -98.1 -9.2 -7.9 21.0 -15.7 107 824 A S << - 0 0 37 -3,-1.1 102,-0.1 -4,-0.8 101,-0.1 -0.517 45.1-171.3 -84.9 142.8 -5.1 21.1 -18.2 108 825 A K + 0 0 186 -2,-0.2 2,-0.5 100,-0.1 -1,-0.1 0.445 59.6 105.4-101.6 -5.7 -4.5 18.6 -20.9 109 826 A Q - 0 0 68 1,-0.1 -2,-0.1 -5,-0.1 2,-0.0 -0.678 66.6-133.5 -88.8 126.2 -1.1 20.1 -21.9 110 827 A S - 0 0 12 -2,-0.5 21,-0.2 1,-0.1 20,-0.2 -0.305 19.6-169.4 -75.6 149.6 2.0 18.3 -20.8 111 828 A C + 0 0 0 97,-0.2 -1,-0.1 19,-0.1 2,-0.1 0.123 39.2 147.5-115.1 13.7 5.1 19.9 -19.2 112 829 A E + 0 0 17 1,-0.2 15,-0.2 5,-0.1 16,-0.1 -0.279 19.6 172.3 -57.9 124.0 7.0 16.7 -19.6 113 830 A L + 0 0 10 14,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.537 50.5 95.1-111.5 -17.3 10.7 17.5 -20.2 114 831 A S > - 0 0 6 1,-0.2 3,-1.8 2,-0.0 4,-0.4 -0.745 63.7-155.0 -78.0 106.3 12.2 13.9 -20.1 115 832 A P G >> S+ 0 0 86 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.849 92.6 57.9 -52.6 -35.4 12.3 12.9 -23.8 116 833 A S G 34 S+ 0 0 103 1,-0.3 3,-0.4 2,-0.2 -2,-0.0 0.745 102.4 54.6 -69.4 -24.3 12.2 9.2 -22.8 117 834 A K G <4 S+ 0 0 99 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.490 88.8 78.7 -87.3 -0.1 8.9 9.8 -21.1 118 835 A L T <4 + 0 0 29 -3,-1.5 2,-0.7 -4,-0.4 -1,-0.2 0.822 61.8 156.7 -72.7 -32.7 7.4 11.4 -24.3 119 836 A E < + 0 0 174 -4,-0.5 2,-1.2 -3,-0.4 -1,-0.2 -0.169 61.3 42.3 48.2 -88.2 6.9 7.8 -25.6 120 837 A K S S- 0 0 190 -2,-0.7 -1,-0.2 -3,-0.2 -3,-0.0 -0.529 122.0 -71.2 -97.2 69.5 4.1 8.5 -28.1 121 838 A N S S+ 0 0 148 -2,-1.2 2,-0.3 1,-0.2 -1,-0.1 0.933 72.4 131.3 62.3 82.9 5.1 11.7 -30.0 122 839 A E - 0 0 78 -7,-0.1 2,-0.5 -3,-0.1 -1,-0.2 -0.869 52.1-101.6-140.5-175.6 5.0 15.1 -28.4 123 840 A D > - 0 0 72 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 -0.917 10.1-157.6-119.7 117.3 7.5 18.0 -28.3 124 841 A V H > S+ 0 0 38 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.903 97.5 58.3 -54.4 -41.2 9.7 18.9 -25.4 125 842 A N H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 108.7 44.6 -56.4 -44.5 10.1 22.4 -26.7 126 843 A T H > S+ 0 0 66 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.903 112.9 52.2 -66.7 -39.0 6.3 22.9 -26.6 127 844 A N H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.826 110.8 48.5 -66.2 -29.3 6.3 21.3 -23.1 128 845 A L H X S+ 0 0 39 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.897 107.7 51.7 -78.9 -44.0 9.0 23.7 -21.9 129 846 A T H X S+ 0 0 84 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.956 112.7 48.6 -58.4 -42.4 7.3 26.9 -23.2 130 847 A H H X S+ 0 0 41 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.933 110.9 48.2 -62.0 -50.9 4.2 25.8 -21.4 131 848 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.893 111.3 51.7 -56.8 -41.9 6.0 25.0 -18.1 132 849 A L H X S+ 0 0 42 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.869 109.4 49.9 -65.3 -35.1 7.8 28.4 -18.3 133 850 A N H X S+ 0 0 95 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.915 111.3 48.6 -66.1 -45.6 4.4 30.1 -18.8 134 851 A I H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.929 112.4 50.0 -55.4 -47.9 3.0 28.3 -15.8 135 852 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.908 108.7 50.3 -63.8 -42.8 6.0 29.3 -13.8 136 853 A S H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.959 113.9 44.2 -58.9 -54.9 5.9 33.0 -14.7 137 854 A E H X S+ 0 0 52 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.910 116.7 47.7 -57.4 -44.3 2.2 33.3 -13.8 138 855 A L H X S+ 0 0 5 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.914 109.5 50.2 -63.8 -48.1 2.7 31.3 -10.6 139 856 A V H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.899 109.6 52.5 -67.1 -32.8 5.7 33.1 -9.3 140 857 A E H X S+ 0 0 109 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.934 109.6 49.2 -64.9 -42.8 4.0 36.5 -9.8 141 858 A K H < S+ 0 0 63 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.901 113.2 47.3 -64.4 -35.9 1.0 35.2 -7.8 142 859 A I H >< S+ 0 0 0 -4,-2.5 3,-1.2 2,-0.2 -2,-0.2 0.957 113.4 46.1 -69.1 -49.9 3.3 34.0 -5.0 143 860 A F H >< S+ 0 0 21 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.905 112.5 49.9 -63.7 -39.7 5.4 37.2 -4.8 144 861 A M T 3< S+ 0 0 151 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.508 97.6 70.1 -79.4 -5.7 2.3 39.5 -4.9 145 862 A A T X> + 0 0 3 -3,-1.2 3,-1.6 -4,-0.4 4,-0.9 0.403 68.2 106.9 -86.0 3.0 0.7 37.5 -2.1 146 863 A S G X4 S+ 0 0 19 -3,-1.4 3,-1.0 1,-0.3 -1,-0.2 0.882 75.1 49.7 -46.4 -50.8 3.4 38.9 0.3 147 864 A E G 34 S+ 0 0 147 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.676 100.9 66.1 -69.3 -17.3 1.0 41.2 2.2 148 865 A I G <4 S+ 0 0 63 -3,-1.6 -1,-0.3 -4,-0.1 -56,-0.2 0.804 76.0 99.6 -74.4 -29.5 -1.5 38.4 2.7 149 866 A L S << S- 0 0 3 -3,-1.0 -60,-0.1 -4,-0.9 5,-0.0 -0.337 91.7 -99.8 -59.2 129.3 0.9 36.5 5.0 150 867 A P > - 0 0 27 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.276 24.5-123.8 -59.9 147.0 -0.2 37.3 8.6 151 868 A P H > S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.814 108.5 55.5 -61.5 -38.1 1.8 40.0 10.4 152 869 A T H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.958 108.6 47.6 -65.3 -41.8 2.8 37.7 13.3 153 870 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 111.7 50.5 -64.3 -40.6 4.3 35.1 11.0 154 871 A R H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 106,-0.4 0.904 109.2 52.0 -64.4 -34.9 6.2 37.9 9.2 155 872 A Y H X S+ 0 0 53 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.904 107.9 51.1 -65.2 -42.0 7.4 39.1 12.6 156 873 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.916 110.0 50.6 -62.5 -37.9 8.6 35.6 13.4 157 874 A Y H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.909 106.8 53.6 -63.4 -44.0 10.4 35.7 10.0 158 875 A G H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.843 106.8 53.1 -60.2 -31.8 12.0 39.0 10.9 159 876 A C H X S+ 0 0 31 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.879 105.6 52.5 -72.4 -37.0 13.3 37.5 14.1 160 877 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.905 110.0 50.9 -58.5 -43.0 14.9 34.6 12.1 161 878 A Q H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.948 110.0 46.5 -63.7 -48.1 16.6 37.2 10.0 162 879 A K H X S+ 0 0 143 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.905 112.5 54.0 -62.4 -34.3 18.0 39.2 13.0 163 880 A S H X S+ 0 0 21 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.896 109.5 43.5 -68.0 -43.0 19.1 35.9 14.5 164 881 A V H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.833 110.1 57.1 -75.9 -26.9 21.2 34.7 11.5 165 882 A Q H < S+ 0 0 75 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.871 109.7 46.1 -65.4 -37.3 22.7 38.1 11.0 166 883 A H H < S+ 0 0 159 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.914 116.0 45.0 -71.0 -41.2 24.0 37.9 14.6 167 884 A K H < S+ 0 0 71 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.902 128.4 23.7 -74.0 -41.4 25.3 34.4 14.2 168 885 A W S >< S+ 0 0 44 -4,-2.8 3,-1.5 3,-0.1 -1,-0.3 -0.663 70.3 171.7-127.1 77.7 27.0 34.8 10.8 169 886 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.644 78.6 45.5 -67.8 -19.9 27.8 38.6 10.4 170 887 A T T 3 S+ 0 0 142 1,-0.1 2,-0.9 2,-0.0 -5,-0.1 0.421 92.3 90.3-101.0 -2.0 29.9 38.3 7.2 171 888 A N < + 0 0 49 -3,-1.5 3,-0.3 -7,-0.2 4,-0.2 -0.852 51.1 178.2 -92.1 104.9 27.4 36.0 5.5 172 889 A T S S+ 0 0 134 -2,-0.9 -1,-0.1 1,-0.2 4,-0.1 0.385 71.1 65.6 -89.2 11.5 25.0 38.4 3.7 173 890 A T S >> S+ 0 0 47 1,-0.1 4,-1.9 2,-0.1 3,-1.2 0.725 79.0 75.6-107.9 -25.4 23.0 35.5 2.2 174 891 A M H 3> S+ 0 0 4 -3,-0.3 4,-2.8 1,-0.2 5,-0.3 0.765 80.9 69.2 -64.4 -30.8 21.4 33.9 5.3 175 892 A R H 34 S+ 0 0 57 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.772 111.8 32.9 -65.4 -23.5 18.7 36.6 5.9 176 893 A T H <> S+ 0 0 8 -3,-1.2 4,-2.4 2,-0.1 3,-0.4 0.843 116.9 55.8 -94.8 -34.5 16.9 35.5 2.7 177 894 A R H X S+ 0 0 102 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.873 103.8 53.1 -65.0 -38.6 17.9 31.8 2.9 178 895 A V H < S+ 0 0 5 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.836 111.1 46.9 -70.0 -29.3 16.5 31.3 6.4 179 896 A V H >> S+ 0 0 0 -3,-0.4 4,-2.3 -5,-0.3 3,-1.4 0.922 108.8 55.1 -76.7 -39.1 13.1 32.7 5.3 180 897 A S H 3X>S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.3 5,-1.4 0.884 98.0 64.0 -58.7 -39.4 13.1 30.6 2.2 181 898 A G H 3<5S+ 0 0 19 -4,-2.0 -1,-0.3 3,-0.2 5,-0.2 0.718 113.7 32.4 -63.4 -18.8 13.5 27.4 4.2 182 899 A F H <>5S+ 0 0 0 -3,-1.4 4,-0.5 -4,-0.4 -2,-0.2 0.876 121.2 42.8 -99.7 -49.2 10.2 28.0 5.9 183 900 A V H <>S+ 0 0 0 -4,-2.3 5,-2.3 3,-0.2 -3,-0.2 0.783 132.6 18.0 -77.5 -22.0 8.0 29.7 3.3 184 901 A F T ><>S+ 0 0 4 -4,-2.4 5,-2.3 -5,-0.3 3,-0.9 0.828 128.3 40.0-108.9 -63.9 9.1 27.4 0.4 185 902 A L T 345S+ 0 0 7 -3,-0.9 4,-1.8 -102,-0.0 -3,-0.2 0.363 123.2 32.5-137.2 -73.2 5.1 25.6 3.1 188 905 A I H > S+ 0 0 61 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.904 110.5 54.0 -58.9 -37.8 4.7 20.8 -0.1 191 908 A A H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 7,-0.2 0.826 108.6 47.2 -68.5 -35.3 1.4 22.4 -1.0 192 909 A I H < S+ 0 0 2 -4,-1.8 -1,-0.2 -3,-0.3 -3,-0.1 0.905 113.3 49.5 -68.9 -39.8 2.2 22.2 -4.7 193 910 A L H < S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.872 131.2 16.7 -69.1 -37.0 3.2 18.6 -4.3 194 911 A N >< + 0 0 78 -4,-2.7 3,-1.6 -5,-0.2 4,-0.3 -0.733 67.2 178.2-136.4 86.6 0.1 17.7 -2.4 195 912 A P G > >S+ 0 0 2 0, 0.0 5,-2.7 0, 0.0 6,-0.8 0.626 73.1 76.1 -67.7 -9.6 -2.6 20.4 -2.9 196 913 A R G > 5S+ 0 0 106 3,-0.2 3,-1.5 1,-0.2 -5,-0.1 0.791 79.9 67.7 -67.2 -30.6 -5.0 18.3 -0.8 197 914 A M G < 5S+ 0 0 142 -3,-1.6 -1,-0.2 1,-0.3 -6,-0.1 0.720 109.6 35.9 -73.8 -16.5 -3.3 19.2 2.5 198 915 A F G < 5S- 0 0 28 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.186 117.2-116.8-109.6 16.4 -4.5 22.8 2.1 199 916 A N T < 5S+ 0 0 132 -3,-1.5 -3,-0.2 2,-0.1 -2,-0.1 0.812 74.7 134.8 55.5 31.9 -7.7 21.6 0.6 200 917 A I S - 0 0 54 -101,-0.2 4,-2.9 -3,-0.1 5,-0.2 -0.225 41.5 -98.2 -62.3 162.9 -4.6 13.1 -13.4 207 924 A P H > S+ 0 0 115 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.925 125.9 47.7 -55.5 -42.4 -1.2 11.7 -14.5 208 925 A I H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -97,-0.2 0.925 114.2 46.8 -66.1 -40.2 -0.4 14.8 -16.6 209 926 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 110.2 54.0 -65.5 -39.2 -1.4 17.1 -13.7 210 927 A A H X S+ 0 0 36 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.913 110.3 46.0 -63.3 -41.6 0.6 15.0 -11.3 211 928 A R H X S+ 0 0 38 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 111.3 52.1 -67.2 -43.9 3.8 15.3 -13.4 212 929 A T H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.937 107.0 53.2 -61.4 -41.5 3.3 19.0 -13.8 213 930 A L H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.921 110.1 48.4 -59.2 -43.6 2.9 19.5 -10.1 214 931 A I H X S+ 0 0 71 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.931 114.4 44.2 -62.5 -42.7 6.2 17.7 -9.5 215 932 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.862 114.3 50.0 -75.4 -31.9 8.1 19.7 -12.2 216 933 A V H X S+ 0 0 1 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.953 112.1 46.9 -68.6 -46.8 6.6 23.0 -11.0 217 934 A A H X S+ 0 0 4 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.884 112.4 51.3 -62.3 -37.9 7.5 22.3 -7.3 218 935 A K H X S+ 0 0 65 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.891 111.8 46.3 -63.8 -45.8 11.0 21.3 -8.4 219 936 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.914 113.5 48.4 -64.3 -42.3 11.5 24.5 -10.4 220 937 A V H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.910 108.9 53.9 -68.8 -36.7 10.1 26.7 -7.6 221 938 A Q H X S+ 0 0 31 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.924 108.6 48.4 -66.5 -40.3 12.4 25.0 -5.0 222 939 A N H <>S+ 0 0 25 -4,-1.9 5,-2.3 2,-0.2 4,-0.3 0.936 113.0 47.3 -65.0 -44.3 15.5 25.7 -7.1 223 940 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.930 109.8 54.7 -58.9 -41.3 14.5 29.3 -7.6 224 941 A A H 3<5S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 111.4 44.0 -61.9 -32.0 13.8 29.4 -3.8 225 942 A N T 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.390 111.5-125.6 -91.3 0.5 17.3 28.2 -3.2 226 943 A L T < 5 + 0 0 30 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.2 0.892 67.6 125.1 55.1 46.0 18.7 30.6 -5.8 227 944 A V < - 0 0 66 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 -0.997 55.8-131.3-137.9 136.9 20.4 27.9 -7.8 228 945 A E - 0 0 75 -2,-0.4 2,-0.3 1,-0.1 9,-0.1 -0.457 37.2 -98.7 -75.5 153.3 20.3 26.7 -11.4 229 946 A F - 0 0 6 7,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.565 45.0-147.0 -68.1 131.9 19.9 23.0 -12.3 230 947 A G > - 0 0 40 -2,-0.3 3,-2.4 -3,-0.0 6,-0.2 -0.313 33.4 -80.8 -93.1-173.4 23.3 21.5 -13.1 231 948 A A T 3 S+ 0 0 83 1,-0.3 -2,-0.1 -2,-0.1 4,-0.1 0.656 123.4 68.1 -65.7 -16.3 24.4 18.7 -15.5 232 949 A K T 3 S+ 0 0 193 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.622 103.0 47.0 -76.2 -12.9 23.3 16.1 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