==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-11 3TZW . COMPND 2 MOLECULE: POLYKETIDE SYNTHASE PKS13; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.BERGERET,J.D.PEDELACQ,L.MOUREY,C.BON . 477 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 7.5 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 . 1 0.2 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 . 34 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 1 2 2 0 2 1 0 2 1 0 2 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 1 1 1 1 2 0 1 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 1 0 1 1 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 1 596 A E 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.2 21.8 3.1 7.1 2 597 A L - 0 0 73 152,-0.0 150,-0.1 153,-0.0 149,-0.1 -0.905 360.0 -85.9-162.8 132.5 21.9 0.8 4.0 3 598 A P - 0 0 41 0, 0.0 151,-0.1 0, 0.0 3,-0.1 -0.003 36.7-142.6 -55.6 137.9 19.6 0.9 0.9 4 599 A G - 0 0 59 1,-0.2 2,-0.2 146,-0.1 0, 0.0 -0.217 45.9 -66.4 -78.9 178.5 16.2 -0.9 0.8 5 600 A V - 0 0 39 1,-0.1 -1,-0.2 -2,-0.1 142,-0.0 -0.529 64.1-114.3 -67.3 132.2 14.8 -2.6 -2.2 6 601 A T >> - 0 0 28 -2,-0.2 4,-1.9 1,-0.1 3,-0.8 -0.243 16.7-115.3 -67.9 162.5 14.1 0.1 -4.8 7 602 A E H 3> S+ 0 0 152 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.816 115.8 57.6 -66.2 -31.8 10.5 0.9 -5.9 8 603 A E H 3> S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.753 106.6 49.5 -68.1 -20.5 11.2 -0.3 -9.4 9 604 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.920 110.0 49.0 -89.5 -46.6 12.2 -3.7 -8.0 10 605 A L H X S+ 0 0 75 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.832 113.1 48.6 -53.0 -36.1 9.1 -4.0 -5.9 11 606 A R H X S+ 0 0 144 -4,-1.8 4,-2.1 2,-0.2 3,-0.4 0.967 112.8 46.2 -75.8 -42.7 7.0 -3.1 -8.9 12 607 A L H X S+ 0 0 12 -4,-1.8 4,-1.0 1,-0.3 -2,-0.2 0.825 109.9 57.8 -66.1 -29.8 8.8 -5.6 -11.2 13 608 A K H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.870 105.1 47.3 -67.9 -41.7 8.4 -8.1 -8.4 14 609 A E H X S+ 0 0 48 -4,-1.7 4,-1.6 -3,-0.4 5,-0.3 0.922 110.2 52.3 -71.6 -37.4 4.6 -7.9 -8.3 15 610 A A H X S+ 0 0 47 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.846 112.8 48.6 -59.6 -28.9 4.4 -8.2 -12.0 16 611 A A H X S+ 0 0 7 -4,-1.0 4,-1.0 2,-0.2 -2,-0.2 0.830 105.3 54.2 -84.2 -34.5 6.5 -11.3 -11.6 17 612 A L H X S+ 0 0 77 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.742 113.5 44.8 -72.5 -19.6 4.5 -12.9 -8.8 18 613 A E H X S+ 0 0 132 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.864 104.8 56.9 -92.6 -35.9 1.4 -12.6 -11.0 19 614 A E H < S+ 0 0 90 -4,-1.9 4,-0.2 -5,-0.3 -2,-0.2 0.865 115.7 44.6 -48.9 -28.4 3.0 -13.8 -14.2 20 615 A L H >< S+ 0 0 62 -4,-1.0 3,-0.5 2,-0.2 -2,-0.2 0.805 106.1 53.9 -93.2 -36.6 3.8 -16.9 -11.9 21 616 A A H 3< S+ 0 0 91 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.626 107.2 57.1 -71.9 -10.9 0.4 -17.4 -10.1 22 617 A A T 3< S+ 0 0 85 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.655 88.4 101.2 -87.7 -23.4 -1.1 -17.5 -13.6 23 618 A Q S < S- 0 0 129 -3,-0.5 2,-0.5 -4,-0.2 3,-0.1 -0.291 90.0 -95.9 -71.1 147.4 1.2 -20.4 -14.5 24 619 A E - 0 0 88 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.534 50.2-116.9 -63.5 114.7 -0.1 -24.0 -14.6 25 620 A V - 0 0 143 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.1 -0.148 33.9-157.1 -47.5 137.9 1.0 -25.4 -11.2 26 621 A T - 0 0 112 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.897 22.7 -97.5-129.5 153.1 3.4 -28.3 -11.1 27 622 A A - 0 0 55 -2,-0.3 59,-0.1 1,-0.1 3,-0.0 -0.553 42.4-126.1 -60.7 119.3 4.5 -31.1 -8.8 28 623 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.304 25.5-106.8 -57.8 146.8 7.7 -30.2 -6.7 29 624 A L - 0 0 9 54,-0.1 56,-0.2 2,-0.0 54,-0.0 -0.703 40.0-162.5 -77.6 126.2 10.7 -32.5 -6.9 30 625 A V E -A 84 0A 13 54,-2.9 54,-2.5 -2,-0.4 2,-0.6 -0.968 11.3-138.4-119.0 128.3 10.8 -34.4 -3.6 31 626 A P E -A 83 0A 6 0, 0.0 2,-0.6 0, 0.0 52,-0.2 -0.762 12.4-159.6 -86.1 124.6 13.9 -36.2 -2.4 32 627 A L E -A 82 0A 0 50,-3.7 50,-1.8 -2,-0.6 2,-0.4 -0.872 12.0-154.3-102.5 112.5 13.3 -39.7 -0.8 33 628 A A E +A 81 0A 4 -2,-0.6 2,-0.4 34,-0.2 48,-0.2 -0.711 17.4 173.5 -93.3 139.2 16.1 -40.7 1.5 34 629 A V E +A 80 0A 11 46,-2.4 46,-2.7 -2,-0.4 2,-0.3 -0.985 12.6 154.4-139.2 125.4 17.0 -44.4 2.3 35 630 A S E +A 79 0A 26 -2,-0.4 2,-0.3 44,-0.3 44,-0.2 -0.980 11.0 163.9-146.1 161.0 20.1 -45.4 4.2 36 631 A A E -A 78 0A 19 42,-2.1 42,-2.6 -2,-0.3 6,-0.1 -0.961 52.7 -92.8-157.2 174.8 21.6 -48.2 6.5 37 632 A F S S+ 0 0 163 -2,-0.3 2,-0.4 40,-0.2 -1,-0.1 0.919 110.9 36.8 -54.6 -48.7 24.9 -49.5 7.8 38 633 A L S >> S- 0 0 98 1,-0.1 4,-1.9 40,-0.1 3,-0.8 -0.911 74.7-132.9-116.3 144.7 25.2 -51.9 4.8 39 634 A T H >> S+ 0 0 26 -2,-0.4 4,-2.7 1,-0.3 3,-0.5 0.907 105.3 62.3 -46.7 -55.7 24.3 -51.6 1.3 40 635 A S H 3> S+ 0 0 82 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.854 109.4 41.7 -38.7 -46.4 22.6 -55.1 1.4 41 636 A R H <> S+ 0 0 95 -3,-0.8 4,-2.6 2,-0.2 -1,-0.3 0.845 109.8 57.4 -81.0 -31.3 20.2 -53.8 3.9 42 637 A K H X S+ 0 0 90 -4,-2.2 4,-1.0 1,-0.2 3,-0.6 0.953 111.3 48.6 -52.5 -49.0 6.0 -52.2 -2.0 52 647 A W H >< S+ 0 0 29 -4,-2.8 6,-0.6 1,-0.2 3,-0.6 0.899 108.5 53.0 -63.8 -34.5 4.5 -49.9 0.7 53 648 A M H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.777 106.4 53.5 -71.2 -26.5 4.2 -47.0 -1.8 54 649 A Q H << S+ 0 0 106 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.694 94.7 92.4 -78.5 -19.3 2.4 -49.3 -4.3 55 650 A S S XX S- 0 0 34 -4,-1.0 4,-2.9 -3,-0.6 3,-0.6 -0.416 91.2-112.0 -78.9 157.8 -0.1 -50.1 -1.5 56 651 A P H 3> S+ 0 0 114 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.847 119.0 50.3 -53.2 -44.9 -3.3 -48.1 -1.1 57 652 A E H 34 S+ 0 0 97 2,-0.2 404,-0.1 1,-0.2 -4,-0.1 0.896 113.9 47.1 -59.9 -36.4 -2.3 -46.5 2.2 58 653 A G H X4 S+ 0 0 0 -3,-0.6 3,-1.6 -6,-0.6 -1,-0.2 0.903 109.8 52.8 -73.9 -36.2 1.1 -45.6 0.4 59 654 A Q H 3< S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 105.1 56.0 -66.2 -30.0 -0.8 -44.2 -2.6 60 655 A A T 3< S+ 0 0 85 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.3 0.368 91.3 90.3 -85.9 4.6 -2.9 -42.1 -0.3 61 656 A S S < S- 0 0 19 -3,-1.6 2,-0.3 -8,-0.1 399,-0.1 -0.868 81.7-120.6-102.2 136.3 0.2 -40.4 1.2 62 657 A S >> - 0 0 67 -2,-0.4 4,-1.9 395,-0.3 3,-1.3 -0.603 21.5-120.6 -75.4 139.1 1.6 -37.3 -0.4 63 658 A L H 3> S+ 0 0 14 1,-0.3 4,-2.3 -2,-0.3 -1,-0.1 0.733 112.9 60.1 -38.0 -34.5 5.2 -37.6 -1.6 64 659 A E H 3> S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.897 104.0 45.5 -66.8 -45.5 6.0 -34.8 0.8 65 660 A S H <> S+ 0 0 3 -3,-1.3 4,-2.1 1,-0.2 395,-0.5 0.839 112.3 51.8 -75.5 -32.0 4.9 -36.5 3.9 66 661 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 393,-0.2 -1,-0.2 0.942 111.9 46.9 -64.1 -48.4 6.7 -39.7 3.0 67 662 A G H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -34,-0.2 0.894 110.3 53.4 -58.8 -38.8 9.9 -37.6 2.4 68 663 A R H X S+ 0 0 7 -4,-2.4 4,-0.6 1,-0.2 3,-0.3 0.947 111.3 45.5 -61.9 -46.0 9.4 -35.8 5.7 69 664 A S H >< S+ 0 0 18 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.884 110.6 53.1 -64.3 -44.1 9.1 -39.1 7.6 70 665 A L H >< S+ 0 0 11 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.805 102.5 59.6 -59.5 -28.9 12.1 -40.6 5.7 71 666 A S H 3< S+ 0 0 4 -4,-1.6 376,-0.3 -3,-0.3 -1,-0.2 0.653 99.4 57.7 -80.4 -13.5 14.3 -37.6 6.7 72 667 A R T << S+ 0 0 159 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.564 82.9 102.2 -91.3 -11.6 13.8 -38.2 10.4 73 668 A R S < S- 0 0 85 -3,-0.8 2,-0.4 -4,-0.5 -3,-0.0 -0.229 91.7 -93.7 -58.4 161.0 15.2 -41.8 10.3 74 669 A N - 0 0 100 -39,-0.1 2,-0.5 1,-0.0 -39,-0.1 -0.736 45.2-132.2 -82.2 126.0 18.8 -42.2 11.6 75 670 A H - 0 0 56 -2,-0.4 4,-0.1 -4,-0.1 -39,-0.0 -0.736 25.0-162.8 -98.0 127.4 21.0 -41.8 8.4 76 671 A G - 0 0 23 -2,-0.5 -39,-0.2 2,-0.3 -1,-0.1 -0.077 34.1 -93.5-101.0-171.3 23.7 -44.4 8.0 77 672 A R S S+ 0 0 140 -42,-0.1 2,-0.7 1,-0.1 -40,-0.2 0.801 109.7 66.5 -80.0 -30.1 26.9 -44.8 6.0 78 673 A S E S+A 36 0A 0 -42,-2.6 -42,-2.1 33,-0.1 2,-0.3 -0.815 78.5 177.5 -91.8 120.9 25.3 -46.5 3.0 79 674 A R E +AB 35 109A 43 30,-1.4 30,-2.2 -2,-0.7 2,-0.3 -0.924 21.3 178.7-134.1 147.2 22.9 -44.0 1.4 80 675 A A E -AB 34 108A 0 -46,-2.7 -46,-2.4 -2,-0.3 2,-0.4 -0.990 7.3-164.1-137.5 155.6 20.5 -43.4 -1.4 81 676 A V E -AB 33 107A 0 26,-2.7 26,-1.8 -2,-0.3 2,-0.4 -0.996 3.3-163.6-133.7 136.5 18.1 -40.7 -2.7 82 677 A V E -AB 32 106A 0 -50,-1.8 -50,-3.7 -2,-0.4 2,-0.6 -0.937 12.1-151.0-114.3 139.1 15.4 -41.0 -5.2 83 678 A L E +A 31 0A 0 22,-2.0 2,-0.4 -2,-0.4 -54,-0.1 -0.949 28.6 166.2-117.7 112.5 14.2 -37.8 -6.7 84 679 A A E -A 30 0A 0 -54,-2.5 -54,-2.9 -2,-0.6 3,-0.1 -0.964 40.3-169.2-136.2 146.0 10.5 -38.0 -7.7 85 680 A H S S+ 0 0 43 -2,-0.4 2,-0.3 -56,-0.2 -22,-0.1 0.649 85.9 18.5 -94.8 -28.0 7.6 -35.8 -8.7 86 681 A D S > S- 0 0 78 -56,-0.1 4,-2.3 -59,-0.1 3,-0.4 -0.892 86.9 -97.3-142.0 168.5 5.0 -38.6 -8.4 87 682 A H H > S+ 0 0 28 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.791 119.1 55.6 -58.4 -31.5 4.5 -42.0 -6.8 88 683 A D H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.849 106.8 47.1 -78.1 -39.0 5.4 -43.8 -9.9 89 684 A E H > S+ 0 0 63 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.885 113.3 52.2 -59.7 -44.0 8.8 -42.1 -10.4 90 685 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 112.0 42.3 -59.6 -47.8 9.5 -42.8 -6.7 91 686 A I H X S+ 0 0 10 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.944 114.0 52.0 -72.5 -43.2 8.7 -46.5 -6.9 92 687 A K H X S+ 0 0 118 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.924 112.1 47.9 -55.7 -42.2 10.6 -46.9 -10.2 93 688 A G H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.895 111.4 48.4 -65.2 -42.2 13.5 -45.2 -8.6 94 689 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.830 107.3 55.7 -71.7 -36.0 13.5 -47.3 -5.5 95 690 A R H X S+ 0 0 78 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.958 107.6 50.3 -58.9 -44.8 13.2 -50.4 -7.6 96 691 A A H <>S+ 0 0 18 -4,-2.1 5,-2.9 1,-0.2 -2,-0.2 0.913 112.0 47.3 -60.3 -40.3 16.4 -49.2 -9.3 97 692 A V H ><5S+ 0 0 2 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.945 109.5 53.4 -65.1 -49.4 18.1 -48.7 -5.9 98 693 A A H 3<5S+ 0 0 25 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 112.8 44.2 -56.4 -31.1 17.0 -52.1 -4.7 99 694 A A T 3<5S- 0 0 65 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.320 110.8-119.6 -98.5 8.5 18.5 -53.7 -7.7 100 695 A G T < 5 + 0 0 47 -3,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.811 68.4 143.3 59.5 24.2 21.8 -51.7 -7.6 101 696 A K < - 0 0 102 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.533 50.7-107.9 -91.1 169.4 20.8 -50.4 -11.1 102 697 A Q + 0 0 201 -2,-0.2 3,-0.1 -3,-0.1 5,-0.1 -0.794 36.3 168.7-110.2 135.6 21.4 -46.9 -12.4 103 698 A A > - 0 0 22 -2,-0.4 3,-2.2 3,-0.3 -10,-0.0 -0.998 40.4-125.7-145.5 141.0 18.9 -44.1 -13.0 104 699 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 368,-0.0 0.892 113.6 48.0 -49.7 -49.1 19.1 -40.4 -13.7 105 700 A N T 3 S+ 0 0 23 -3,-0.1 -22,-2.0 -16,-0.1 2,-0.4 0.250 105.3 78.4 -80.7 18.7 16.8 -39.6 -10.8 106 701 A V E < +B 82 0A 14 -3,-2.2 2,-0.4 -24,-0.2 -3,-0.3 -0.974 48.3 179.0-132.4 140.3 18.8 -41.8 -8.4 107 702 A F E +B 81 0A 14 -26,-1.8 -26,-2.7 -2,-0.4 2,-0.3 -0.995 14.8 161.0-133.3 142.9 22.0 -41.5 -6.5 108 703 A S E -B 80 0A 52 -2,-0.4 2,-0.3 -28,-0.2 -28,-0.2 -0.961 9.8-178.2-162.4 134.3 23.3 -44.3 -4.2 109 704 A V E -B 79 0A 32 -30,-2.2 -30,-1.4 -2,-0.3 -2,-0.0 -0.989 34.4-124.2-142.7 154.9 26.7 -45.1 -2.7 110 705 A D S S- 0 0 118 -2,-0.3 -71,-0.2 -32,-0.2 -1,-0.1 0.874 87.5 -26.8 -65.7 -41.2 28.3 -47.8 -0.5 111 706 A G S S- 0 0 16 -33,-0.1 -33,-0.1 -3,-0.1 -1,-0.1 -0.913 88.2 -50.1-162.5-177.1 29.7 -45.3 2.0 112 707 A P - 0 0 57 0, 0.0 329,-0.2 0, 0.0 2,-0.2 -0.112 52.9-105.5 -67.3 157.2 30.8 -41.8 2.4 113 708 A V - 0 0 31 327,-2.8 273,-0.0 1,-0.1 -4,-0.0 -0.541 30.5-129.2 -71.2 151.1 33.3 -39.9 0.3 114 709 A T S S+ 0 0 139 -2,-0.2 2,-0.3 271,-0.1 -1,-0.1 0.861 80.3 39.7 -82.7 -32.2 36.6 -39.5 2.0 115 710 A T S S- 0 0 44 270,-0.3 272,-0.3 1,-0.1 273,-0.3 -0.830 88.0 -97.8-117.4 155.2 37.4 -35.8 1.7 116 711 A G - 0 0 23 -2,-0.3 272,-0.3 1,-0.1 271,-0.2 -0.056 50.9 -84.0 -68.2 166.7 35.2 -32.7 2.0 117 712 A P - 0 0 11 0, 0.0 83,-3.1 0, 0.0 84,-1.2 -0.414 29.4-136.5 -77.2 148.4 33.8 -30.9 -1.1 118 713 A V E -cd 201 389B 0 270,-2.6 272,-2.7 82,-0.2 2,-0.5 -0.948 18.2-141.4 -96.5 120.1 35.6 -28.3 -3.1 119 714 A W E -cd 202 390B 0 82,-2.6 84,-2.0 -2,-0.6 2,-0.6 -0.741 12.2-152.3 -80.4 127.2 33.4 -25.2 -4.0 120 715 A V E -cd 203 391B 0 270,-2.6 272,-2.0 -2,-0.5 2,-0.7 -0.892 11.7-173.9-106.5 114.5 34.0 -24.0 -7.6 121 716 A L E +cd 204 392B 0 82,-3.0 84,-2.2 -2,-0.6 91,-0.2 -0.855 31.5 128.3-109.9 98.0 33.3 -20.3 -8.1 122 717 A A + 0 0 2 -2,-0.7 83,-0.1 270,-0.5 90,-0.1 0.294 19.0 165.9-118.0-116.0 33.7 -19.5 -11.8 123 718 A G > + 0 0 1 1,-0.4 3,-2.7 272,-0.1 4,-0.5 -0.060 26.3 133.4 124.7 -38.6 31.1 -17.7 -13.9 124 719 A F T 3 S+ 0 0 48 81,-0.4 -1,-0.4 1,-0.3 273,-0.1 -0.281 86.2 5.9 -48.8 120.9 32.7 -16.6 -17.0 125 720 A G T 3 S+ 0 0 34 272,-0.0 -1,-0.3 1,-0.0 0, 0.0 0.495 105.8 100.2 89.1 4.6 30.4 -17.6 -19.9 126 721 A A < + 0 0 1 -3,-2.7 -2,-0.1 2,-0.0 296,-0.1 0.611 47.3 112.5-101.5 -18.4 27.6 -18.7 -17.7 127 722 A Q + 0 0 80 -4,-0.5 2,-0.3 4,-0.0 3,-0.0 -0.209 36.0 172.1 -59.0 146.4 25.3 -15.7 -17.7 128 723 A H > - 0 0 29 1,-0.1 3,-1.9 49,-0.1 -2,-0.0 -0.952 42.0 -97.6-153.7 159.0 21.8 -16.0 -19.3 129 724 A R T 3 S+ 0 0 128 -2,-0.3 38,-0.1 1,-0.3 41,-0.1 0.673 114.4 29.6 -45.2 -55.4 18.8 -13.6 -19.4 130 725 A K T >> S+ 0 0 112 2,-0.1 3,-2.6 -3,-0.0 4,-0.5 0.288 83.8 153.7 -95.3 11.4 16.5 -14.8 -16.7 131 726 A M T <4 S+ 0 0 0 -3,-1.9 264,-0.1 1,-0.3 291,-0.0 -0.031 70.0 1.9 -49.9 132.7 19.2 -16.3 -14.4 132 727 A G T 3> S+ 0 0 0 262,-0.1 4,-1.8 1,-0.1 -1,-0.3 0.197 99.1 109.1 81.6 -17.4 18.3 -16.5 -10.8 133 728 A K H <> S+ 0 0 29 -3,-2.6 4,-2.3 1,-0.2 3,-0.5 0.967 77.0 46.3 -63.3 -53.0 14.7 -15.1 -11.2 134 729 A S H X S+ 0 0 38 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.935 113.7 47.8 -56.4 -48.8 12.8 -18.2 -10.5 135 730 A L H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 8,-0.3 0.810 109.8 54.2 -60.9 -28.6 14.7 -19.1 -7.4 136 731 A Y H < S+ 0 0 8 -4,-1.8 7,-0.2 -3,-0.5 -1,-0.2 0.920 111.3 45.5 -68.6 -43.3 14.4 -15.5 -6.1 137 732 A L H < S+ 0 0 30 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 122.3 36.3 -69.2 -35.0 10.6 -15.7 -6.4 138 733 A R H < S+ 0 0 99 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 0.618 108.2 59.6-100.6 -11.5 10.3 -19.1 -4.9 139 734 A N X - 0 0 40 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 -0.943 55.8-161.1-124.8 120.2 12.9 -19.3 -2.1 140 735 A E H > S+ 0 0 105 -2,-0.5 4,-1.9 2,-0.2 -1,-0.1 0.760 91.5 47.6 -70.6 -26.9 13.0 -17.0 0.9 141 736 A V H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.1 5,-0.2 0.945 113.0 47.9 -76.5 -46.7 16.6 -17.6 2.0 142 737 A F H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.956 113.6 49.4 -56.4 -45.8 17.9 -17.2 -1.5 143 738 A A H X S+ 0 0 10 -4,-2.3 4,-2.6 -8,-0.3 -1,-0.2 0.894 106.0 55.7 -63.2 -41.7 15.9 -14.0 -1.8 144 739 A A H X S+ 0 0 53 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.911 112.9 42.1 -59.2 -38.7 17.1 -12.6 1.5 145 740 A W H X S+ 0 0 65 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.904 109.8 55.1 -74.7 -39.5 20.7 -13.0 0.3 146 741 A I H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.891 112.3 47.1 -60.4 -35.0 20.1 -11.7 -3.1 147 742 A E H X S+ 0 0 56 -4,-2.6 4,-3.3 -5,-0.2 -2,-0.2 0.902 106.5 54.5 -74.2 -40.9 18.6 -8.6 -1.4 148 743 A K H X S+ 0 0 112 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.896 113.6 44.3 -58.9 -36.4 21.5 -8.2 1.1 149 744 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.821 110.0 55.0 -77.4 -30.8 23.9 -8.1 -1.9 150 745 A D H X S+ 0 0 2 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.968 107.0 51.1 -64.3 -51.9 21.6 -5.8 -3.9 151 746 A A H X S+ 0 0 10 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.868 112.8 46.3 -47.9 -43.2 21.7 -3.4 -0.9 152 747 A L H X S+ 0 0 10 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.910 110.7 49.8 -73.7 -44.0 25.5 -3.5 -1.0 153 748 A V H X>S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.7 0.713 107.1 58.7 -67.0 -15.3 26.0 -3.1 -4.7 154 749 A Q H X5S+ 0 0 36 -4,-1.4 4,-2.1 -5,-0.2 3,-0.2 0.985 105.8 46.7 -75.4 -56.7 23.6 -0.2 -4.4 155 750 A D H <5S+ 0 0 80 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.788 121.0 40.5 -40.5 -33.5 26.0 1.5 -2.0 156 751 A E H <5S+ 0 0 61 -4,-1.3 -1,-0.2 3,-0.1 -2,-0.2 0.834 131.7 12.8-100.2 -30.1 28.9 0.7 -4.3 157 752 A L H <5S- 0 0 44 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.547 92.0-120.6-125.5 -16.6 27.8 1.3 -7.9 158 753 A G S < - 0 0 4 -2,-0.2 4,-0.7 1,-0.1 -10,-0.1 -0.918 12.7-167.5-118.0 130.6 20.1 -2.4 -8.4 161 756 A V H > S+ 0 0 0 -2,-0.4 4,-2.0 1,-0.2 3,-0.5 0.853 90.7 65.0 -87.0 -29.5 20.9 -6.0 -9.4 162 757 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 99.3 53.2 -49.9 -43.7 17.5 -7.1 -8.2 163 758 A E H > S+ 0 0 54 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.834 108.5 49.7 -69.1 -30.0 15.9 -5.0 -11.0 164 759 A L H < S+ 0 0 20 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.850 111.6 49.0 -67.5 -34.7 18.1 -6.7 -13.6 165 760 A I H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -32,-0.2 0.960 112.9 45.8 -76.1 -42.8 17.1 -10.0 -12.3 166 761 A L H < S+ 0 0 4 -4,-2.5 2,-0.8 -5,-0.2 -1,-0.2 0.644 95.8 86.9 -71.5 -16.4 13.4 -9.3 -12.3 167 762 A D >< - 0 0 39 -4,-0.8 3,-1.9 -5,-0.2 -1,-0.1 -0.751 51.9-170.5-107.5 103.8 13.3 -7.7 -15.8 168 763 A D T 3 S+ 0 0 66 -2,-0.8 -1,-0.2 1,-0.3 -39,-0.0 0.725 87.9 61.5 -59.8 -25.1 12.8 -10.0 -18.8 169 764 A A T 3 S+ 0 0 93 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.701 89.7 85.1 -75.5 -20.2 13.6 -7.0 -21.1 170 765 A Q < - 0 0 90 -3,-1.9 2,-0.1 -6,-0.2 -3,-0.1 -0.745 55.9-173.5 -91.3 117.8 17.1 -6.6 -19.7 171 766 A D - 0 0 68 -2,-0.6 2,-0.3 1,-0.1 -2,-0.0 -0.350 30.8 -94.4 -89.3-176.5 20.1 -8.6 -21.0 172 767 A Y - 0 0 37 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.758 28.2-161.2-108.3 142.5 23.6 -8.4 -19.4 173 768 A G > - 0 0 33 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.608 43.6 -88.2-104.1 176.9 26.8 -6.5 -20.1 174 769 A I H > S+ 0 0 51 -2,-0.2 4,-1.1 1,-0.2 62,-0.1 0.942 127.6 37.5 -39.4 -60.9 30.4 -7.0 -19.2 175 770 A E H >> S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.969 118.2 45.9 -62.5 -52.2 29.9 -5.1 -15.9 176 771 A T H 3> S+ 0 0 31 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.817 105.9 60.6 -75.9 -29.0 26.5 -6.3 -14.9 177 772 A T H 3X S+ 0 0 15 -4,-3.1 4,-2.3 2,-0.2 -1,-0.3 0.872 104.6 50.2 -49.4 -45.3 27.2 -9.9 -15.7 178 773 A Q H S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.5 0.910 111.7 50.4 -43.5 -53.7 23.6 -24.4 1.0 193 788 A R H ><5S+ 0 0 133 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.889 104.9 58.9 -55.4 -37.2 25.0 -23.2 4.3 194 789 A H H 3<5S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.1 47.5 -60.4 -36.1 21.4 -22.6 5.5 195 790 A H T 3<5S- 0 0 21 -4,-1.4 250,-2.3 -3,-0.5 -1,-0.3 0.216 130.9 -93.2 -89.8 11.7 20.8 -26.3 4.9 196 791 A G T < 5S+ 0 0 33 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.301 80.6 133.6 97.5 -8.9 24.0 -27.5 6.7 197 792 A A < + 0 0 5 -5,-2.3 -1,-0.3 -6,-0.2 247,-0.1 -0.288 26.1 175.6 -76.4 162.1 26.5 -27.6 3.8 198 793 A K - 0 0 109 245,-0.3 2,-0.3 246,-0.0 245,-0.2 -0.951 29.4-111.9-162.3 144.4 30.0 -26.2 3.9 199 794 A P - 0 0 17 0, 0.0 -81,-0.2 0, 0.0 3,-0.1 -0.629 8.5-161.1 -79.2 140.7 33.1 -26.1 1.7 200 795 A A S S- 0 0 38 -83,-3.1 140,-2.0 1,-0.3 2,-0.3 0.761 83.9 -8.1 -76.1 -33.2 36.3 -27.9 2.6 201 796 A A E -ce 118 340B 0 -84,-1.2 -82,-2.6 138,-0.2 2,-0.3 -0.972 68.2-140.3-154.5 157.7 38.2 -25.7 0.1 202 797 A V E -ce 119 341B 0 138,-1.4 140,-2.6 -2,-0.3 2,-0.3 -0.881 8.1-167.1-121.5 160.8 37.3 -23.2 -2.6 203 798 A I E -ce 120 342B 1 -84,-2.0 -82,-3.0 -2,-0.3 2,-0.3 -0.966 12.2-157.4-143.2 134.8 38.8 -22.5 -6.0 204 799 A G E -c 121 0B 0 138,-0.7 2,-0.4 -2,-0.3 140,-0.2 -0.717 8.4-159.5-109.8 155.5 38.0 -19.4 -7.9 205 800 A Q > - 0 0 8 -84,-2.2 3,-2.5 -2,-0.3 -81,-0.4 -0.822 53.4 -72.5-140.3 99.2 38.1 -18.6 -11.6 206 801 A S G > S+ 0 0 10 -2,-0.4 3,-2.3 1,-0.3 4,-0.4 -0.265 128.4 23.9 73.8-122.9 38.3 -15.1 -12.6 207 802 A L G > S+ 0 0 6 1,-0.3 3,-0.7 -2,-0.1 4,-0.5 0.852 123.5 59.5 -44.1 -36.8 35.0 -13.3 -12.0 208 803 A G G <> S+ 0 0 0 -3,-2.5 4,-2.9 1,-0.2 -1,-0.3 0.648 80.1 90.2 -71.2 -13.3 34.3 -16.1 -9.4 209 804 A E H <> S+ 0 0 10 -3,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.882 84.1 50.8 -49.6 -48.2 37.4 -15.0 -7.4 210 805 A A H <> S+ 0 0 3 -3,-0.7 4,-1.5 -4,-0.4 3,-0.3 0.928 110.6 45.1 -63.8 -50.6 35.5 -12.6 -5.3 211 806 A A H >> S+ 0 0 0 -4,-0.5 4,-2.4 1,-0.2 3,-0.6 0.953 113.6 54.4 -58.4 -38.8 32.6 -14.8 -4.1 212 807 A S H 3X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.819 101.1 56.2 -69.1 -23.2 35.3 -17.4 -3.5 213 808 A A H 3<>S+ 0 0 0 -4,-1.6 5,-2.5 -3,-0.3 6,-0.8 0.883 110.5 47.1 -69.4 -30.2 37.2 -15.1 -1.2 214 809 A Y H X<5S+ 0 0 39 -4,-1.5 3,-0.8 -3,-0.6 -2,-0.2 0.880 110.6 48.3 -76.3 -46.8 34.0 -14.7 0.9 215 810 A F H 3<5S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 109.3 56.6 -64.9 -25.7 33.2 -18.3 1.2 216 811 A A T 3<5S- 0 0 0 -4,-1.1 122,-3.2 -5,-0.3 123,-1.2 0.664 113.9-119.0 -77.8 -15.5 36.8 -18.8 2.1 217 812 A G T < 5S+ 0 0 21 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.673 83.6 117.1 87.6 19.4 36.5 -16.4 5.1 218 813 A G S - 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0 0 13 -2,-2.1 -2,-0.2 26,-0.2 26,-0.1 -0.975 62.6-129.1-123.9 151.1 44.9 -26.6 -27.5 256 851 A S > - 0 0 22 -2,-0.3 4,-1.5 23,-0.2 23,-0.2 -0.229 39.5 -90.7 -80.4 177.9 47.1 -27.1 -24.5 257 852 A A H > S+ 0 0 44 21,-0.4 4,-1.3 2,-0.2 3,-0.1 0.953 126.6 42.3 -50.3 -59.7 49.6 -24.7 -23.1 258 853 A D H > S+ 0 0 128 2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.876 108.1 56.2 -53.5 -53.2 52.5 -26.3 -25.3 259 854 A E H 4 S+ 0 0 75 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.878 109.9 50.3 -51.8 -35.7 50.5 -26.7 -28.5 260 855 A I H >X S+ 0 0 16 -4,-1.5 4,-2.1 2,-0.2 3,-1.1 0.846 100.0 61.1 -73.4 -34.7 49.9 -23.0 -28.1 261 856 A R H 3< S+ 0 0 88 -4,-1.3 4,-0.2 1,-0.3 -2,-0.2 0.924 104.6 51.7 -53.2 -44.1 53.7 -22.4 -27.6 262 857 A E T 3< S+ 0 0 85 -4,-2.1 4,-0.3 2,-0.2 -1,-0.3 0.549 118.2 36.6 -75.4 -8.3 54.0 -23.8 -31.1 263 858 A V T <> S+ 0 0 29 -3,-1.1 2,-1.2 -4,-0.3 4,-1.2 0.721 110.0 59.9 -89.2 -72.0 51.3 -21.4 -32.4 264 859 A F T < S+ 0 0 40 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.396 98.6 62.5 -37.6 1.7 52.3 -18.3 -30.2 265 860 A S T 4 S+ 0 0 74 -2,-1.2 -1,-0.2 -4,-0.2 -3,-0.1 0.828 112.8 33.5 -77.7 -78.0 55.7 -18.5 -32.0 266 861 A D T 4 S+ 0 0 129 -3,-0.4 -2,-0.2 -4,-0.3 -3,-0.1 0.834 126.3 45.1 -31.3 -57.5 54.0 -17.8 -35.3 267 862 A F S >< S+ 0 0 38 -4,-1.2 3,-1.2 1,-0.1 -1,-0.2 -0.711 72.6 174.3 -98.7 87.2 51.4 -15.5 -33.6 268 863 A P T 3 + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.664 67.1 60.5 -81.4 -16.9 53.4 -13.4 -31.3 269 864 A D T 3 S+ 0 0 108 2,-0.1 15,-0.0 17,-0.0 -5,-0.0 0.608 82.3 112.3 -80.0 -11.3 50.9 -10.9 -29.9 270 865 A L < - 0 0 25 -3,-1.2 2,-0.3 15,-0.1 15,-0.2 -0.210 46.3-168.9 -68.3 149.3 48.7 -13.7 -28.4 271 866 A E E -J 284 0C 64 13,-1.9 13,-2.0 44,-0.0 2,-0.8 -0.940 22.6-118.6-137.6 155.7 48.3 -14.2 -24.7 272 867 A V E +J 283 0C 27 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.878 28.5 171.8-101.4 115.0 46.9 -16.8 -22.3 273 868 A C E + 0 0 0 9,-2.3 99,-2.1 -2,-0.8 2,-0.4 0.944 67.2 12.3 -77.5 -58.9 44.1 -15.8 -20.2 274 869 A V E -Jk 282 372C 7 8,-1.1 8,-2.6 97,-0.2 2,-1.3 -0.973 54.3-147.4-127.2 125.8 42.8 -19.0 -18.5 275 870 A Y E +J 281 0C 46 97,-3.1 100,-3.0 -2,-0.4 101,-0.3 -0.781 36.1 170.3 -88.9 97.0 44.4 -22.4 -18.3 276 871 A A E - 0 0 0 -2,-1.3 5,-0.2 4,-1.0 -1,-0.2 0.836 55.8 -14.2 -85.9 -43.0 41.0 -24.0 -18.4 277 872 A A E > S-J 280 0C 3 3,-2.2 3,-1.7 -3,-0.2 -1,-0.2 -0.929 79.7 -89.1-153.0 168.2 41.7 -27.7 -18.8 278 873 A P T 3 S+ 0 0 37 0, 0.0 -21,-0.4 0, 0.0 3,-0.0 0.795 131.3 26.5 -58.4 -23.1 44.9 -29.7 -19.9 279 874 A T T 3 S+ 0 0 57 -23,-0.2 2,-0.4 1,-0.1 -23,-0.2 0.039 114.5 72.8-123.2 17.2 43.7 -29.4 -23.5 280 875 A Q E < + J 0 277C 25 -3,-1.7 -3,-2.2 -26,-0.2 -4,-1.0 -0.976 52.1 171.2-137.3 129.1 41.6 -26.1 -23.4 281 876 A T E -HJ 253 275C 1 -28,-1.8 -28,-2.2 -2,-0.4 2,-0.6 -0.983 28.6-133.8-135.1 139.3 43.1 -22.7 -23.0 282 877 A V E -HJ 252 274C 9 -8,-2.6 -9,-2.3 -2,-0.4 -8,-1.1 -0.872 31.0-170.4 -93.4 124.5 41.4 -19.3 -23.2 283 878 A I E -HJ 251 272C 3 -32,-3.1 -32,-2.7 -2,-0.6 2,-0.3 -0.778 9.0-164.8-113.1 161.0 43.4 -16.9 -25.4 284 879 A G E +HJ 250 271C 1 -13,-2.0 -13,-1.9 -2,-0.3 -34,-0.2 -0.992 28.9 96.2-145.3 149.4 43.2 -13.3 -26.1 285 880 A G E -H 249 0C 3 -36,-1.6 -36,-3.2 -2,-0.3 -15,-0.1 -0.984 66.4 -10.2 161.8-178.8 44.6 -10.9 -28.6 286 881 A P > - 0 0 24 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.212 63.4-123.3 -45.9 131.9 44.4 -9.0 -32.0 287 882 A P H > S+ 0 0 42 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.735 110.5 58.0 -62.4 -20.4 41.3 -10.2 -33.8 288 883 A E H > S+ 0 0 134 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.970 112.0 43.0 -69.6 -50.1 43.3 -11.2 -36.9 289 884 A Q H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.937 113.8 48.1 -53.6 -54.2 45.4 -13.5 -34.7 290 885 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.952 112.6 49.0 -55.6 -50.0 42.5 -14.9 -32.7 291 886 A D H X S+ 0 0 69 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.888 110.1 54.0 -59.3 -37.2 40.4 -15.7 -35.9 292 887 A A H X S+ 0 0 24 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.993 108.9 45.2 -58.0 -67.2 43.5 -17.3 -37.4 293 888 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.859 116.1 49.0 -39.6 -43.0 44.0 -19.7 -34.4 294 889 A L H X S+ 0 0 22 -4,-2.5 4,-3.8 -5,-0.3 5,-0.3 0.969 109.7 50.7 -66.4 -48.4 40.2 -20.5 -34.4 295 890 A A H X S+ 0 0 65 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.847 111.7 47.9 -58.3 -38.6 40.2 -21.1 -38.2 296 891 A R H X S+ 0 0 62 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.964 116.1 43.9 -66.6 -47.9 43.2 -23.5 -37.8 297 892 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 3,-1.3 0.923 110.0 52.1 -66.3 -49.5 41.6 -25.4 -34.9 298 893 A E H ><5S+ 0 0 61 -4,-3.8 3,-2.9 1,-0.3 -1,-0.2 0.942 106.3 57.1 -57.5 -44.5 38.1 -25.6 -36.3 299 894 A A H 3<5S+ 0 0 89 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.781 105.7 49.8 -51.3 -31.6 39.6 -27.1 -39.5 300 895 A E T <<5S- 0 0 121 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.392 121.5-111.9 -91.3 9.6 41.2 -29.8 -37.4 301 896 A G T < 5 + 0 0 68 -3,-2.9 2,-0.4 1,-0.2 -3,-0.2 0.818 69.2 147.6 61.5 34.9 37.8 -30.4 -35.8 302 897 A K < - 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0 0 0 6,-2.5 5,-2.8 -2,-0.9 6,-0.5 -0.656 21.2-175.3 -82.9 108.6 44.4 -20.0 -5.6 344 939 A T T 5S+ 0 0 1 -2,-0.8 29,-3.6 3,-0.2 3,-0.5 0.645 89.0 59.1 -80.5 -7.0 44.3 -19.9 -9.4 345 940 A V T 5S+ 0 0 9 1,-0.2 2,-1.4 27,-0.2 -1,-0.2 0.908 103.6 49.6 -78.7 -49.7 45.7 -16.4 -9.1 346 941 A H T > 5S- 0 0 48 3,-0.2 3,-1.7 1,-0.1 -1,-0.2 -0.258 134.2 -83.7 -88.9 51.2 48.9 -17.8 -7.3 347 942 A E T 3 5S- 0 0 67 -2,-1.4 -3,-0.2 -3,-0.5 -1,-0.1 0.710 79.9 -60.9 65.9 24.2 49.5 -20.5 -9.9 348 943 A G T 3 - 0 0 97 -2,-0.5 3,-2.2 -12,-0.2 -13,-0.1 -0.398 29.1 -97.1 -80.3 143.9 45.7 -23.7 4.5 353 948 A P T 3 S+ 0 0 66 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.239 118.3 28.1 -47.5 137.3 42.8 -22.7 6.7 354 949 A G T 3 S+ 0 0 60 -17,-2.9 -16,-0.1 1,-0.1 -2,-0.1 0.603 97.4 135.6 75.9 7.9 44.4 -20.3 9.4 355 950 A G < - 0 0 20 -3,-2.2 -1,-0.1 -18,-0.2 3,-0.1 -0.017 68.6 -70.5 -68.9-177.0 47.0 -19.3 6.9 356 951 A E - 0 0 162 -20,-0.1 -1,-0.2 1,-0.1 -21,-0.1 -0.651 65.0 -92.2 -81.0 137.4 48.2 -15.7 6.3 357 952 A P - 0 0 56 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.081 39.5-175.8 -47.4 143.7 45.6 -13.6 4.5 358 953 A I + 0 0 16 -23,-0.5 2,-0.8 -3,-0.1 5,-0.2 0.600 58.2 87.6-110.4 -18.7 45.8 -13.5 0.7 359 954 A H + 0 0 1 -24,-0.3 5,-0.1 -141,-0.2 -1,-0.1 0.030 54.1 140.5 -83.6 33.1 43.1 -11.0 -0.4 360 955 A D S >> S- 0 0 75 -2,-0.8 4,-1.0 1,-0.1 3,-0.8 -0.068 72.1 -93.3 -64.9 168.6 45.0 -7.9 -0.3 361 956 A V H 3> S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.864 125.7 58.9 -50.6 -40.4 44.7 -5.2 -2.9 362 957 A E H 3> S+ 0 0 95 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.804 95.9 62.5 -62.9 -33.7 47.6 -6.6 -4.9 363 958 A Y H <> S+ 0 0 2 -3,-0.8 4,-3.6 2,-0.2 -1,-0.2 0.962 104.5 46.7 -54.3 -47.4 45.8 -10.0 -5.2 364 959 A W H X S+ 0 0 13 -4,-1.0 4,-2.6 1,-0.2 5,-0.2 0.886 113.3 49.6 -67.8 -35.4 43.0 -8.3 -7.2 365 960 A K H X S+ 0 0 61 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.967 115.3 42.3 -63.3 -54.0 45.6 -6.5 -9.4 366 961 A K H X S+ 0 0 47 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.947 113.8 54.2 -61.6 -43.8 47.5 -9.7 -10.0 367 962 A G H < S+ 0 0 12 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.920 112.1 42.1 -51.3 -52.2 44.3 -11.6 -10.6 368 963 A L H < S+ 0 0 1 -4,-2.6 -54,-2.0 -5,-0.2 -53,-0.3 0.879 121.5 40.5 -69.2 -32.4 43.0 -9.2 -13.2 369 964 A R H < S+ 0 0 44 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.869 108.9 58.8 -87.5 -35.7 46.2 -8.8 -15.0 370 965 A H S < S- 0 0 91 -4,-3.1 -55,-0.1 -5,-0.2 -97,-0.0 -0.488 90.3 -77.9-101.0 167.0 47.7 -12.4 -15.0 371 966 A S - 0 0 24 -2,-0.2 2,-0.5 1,-0.1 -24,-0.3 -0.109 41.7-121.4 -55.4 155.4 46.7 -15.8 -16.2 372 967 A V B -k 274 0C 5 -99,-2.1 -97,-3.1 -26,-0.1 2,-1.9 -0.912 14.1-150.3-107.7 115.3 44.2 -17.9 -14.3 373 968 A Y > + 0 0 58 -29,-3.6 4,-1.9 -2,-0.5 5,-0.2 -0.350 42.3 144.3 -88.6 63.5 45.7 -21.2 -13.2 374 969 A F H > + 0 0 0 -2,-1.9 4,-2.0 -99,-0.2 -98,-0.2 0.959 67.2 44.8 -77.2 -48.7 42.5 -23.1 -13.3 375 970 A T H > S+ 0 0 14 -100,-3.0 4,-2.1 -3,-0.3 -1,-0.2 0.808 114.0 54.9 -58.0 -30.4 43.4 -26.6 -14.5 376 971 A H H > S+ 0 0 77 -101,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.900 106.2 47.7 -69.3 -43.1 46.4 -26.4 -12.1 377 972 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.861 115.5 47.5 -70.0 -35.5 44.3 -25.7 -8.9 378 973 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.905 110.3 49.8 -70.3 -42.2 42.0 -28.5 -9.9 379 974 A R H X S+ 0 0 100 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.863 112.2 52.6 -69.2 -28.3 44.9 -31.0 -10.6 380 975 A N H X S+ 0 0 61 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.938 105.4 50.8 -66.2 -46.6 46.1 -29.9 -7.2 381 976 A A H <>S+ 0 0 1 -4,-1.9 5,-2.8 1,-0.2 -2,-0.2 0.833 112.8 47.5 -64.6 -31.8 42.9 -30.6 -5.4 382 977 A V H ><5S+ 0 0 20 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.861 106.7 55.3 -74.1 -41.5 42.8 -34.1 -6.9 383 978 A D H 3<5S+ 0 0 102 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 107.2 53.8 -68.7 -22.3 46.4 -34.9 -6.1 384 979 A S T 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.407 128.5 -93.4 -97.3 10.2 45.5 -34.0 -2.5 385 980 A G T < 5S+ 0 0 32 -3,-1.8 2,-0.3 1,-0.3 -270,-0.3 0.422 75.8 137.9 106.0 -2.5 42.6 -36.4 -2.3 386 981 A H < + 0 0 18 -5,-2.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.642 11.7 160.1 -81.4 139.0 39.4 -34.3 -3.2 387 982 A T + 0 0 32 -2,-0.3 28,-1.5 -272,-0.3 2,-0.6 0.505 52.0 81.5-129.5 -24.2 36.9 -35.9 -5.4 388 983 A T E + g 0 415B 0 -272,-0.3 -270,-2.6 -273,-0.3 2,-0.5 -0.827 52.1 176.9 -84.3 118.2 33.7 -33.8 -4.8 389 984 A F E -dg 118 416B 0 26,-2.4 28,-1.9 -2,-0.6 2,-0.6 -0.959 6.7-170.2-120.7 115.4 33.6 -30.6 -6.8 390 985 A L E -dg 119 417B 0 -272,-2.7 -270,-2.6 -2,-0.5 2,-0.5 -0.908 10.0-148.7-110.2 118.0 30.5 -28.5 -6.5 391 986 A E E -d 120 0B 1 26,-1.6 2,-0.8 -2,-0.6 28,-0.4 -0.723 4.1-157.7 -85.1 118.4 29.9 -25.5 -8.9 392 987 A L E +d 121 0B 0 -272,-2.0 -270,-0.5 -2,-0.5 -207,-0.1 -0.861 50.7 120.3 -87.4 107.9 28.0 -22.3 -7.6 393 988 A A S S- 0 0 0 -2,-0.8 27,-1.5 -272,-0.1 26,-0.1 -0.967 74.1-120.0-161.0 157.6 26.9 -20.9 -11.0 394 989 A P S S+ 0 0 0 0, 0.0 -262,-0.1 0, 0.0 -2,-0.0 0.477 111.6 14.1 -84.8 -3.0 23.8 -20.1 -13.0 395 990 A N S S- 0 0 45 26,-0.2 2,-2.2 -264,-0.1 3,-0.4 -0.797 86.8-123.8-165.7 122.3 24.9 -22.6 -15.6 396 991 A P > + 0 0 10 0, 0.0 4,-0.6 0, 0.0 25,-0.1 -0.378 57.0 138.8 -84.2 69.2 27.7 -25.1 -14.9 397 992 A V H > S+ 0 0 42 -2,-2.2 4,-1.0 1,-0.2 3,-0.4 0.823 71.2 55.0 -72.2 -29.7 30.2 -24.3 -17.7 398 993 A A H > S+ 0 0 0 -3,-0.4 4,-2.2 1,-0.2 3,-0.2 0.884 97.3 63.7 -71.7 -36.4 33.2 -24.6 -15.3 399 994 A L H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.774 96.1 57.8 -60.0 -28.8 32.3 -28.1 -14.1 400 995 A M H X S+ 0 0 50 -4,-0.6 4,-1.6 -3,-0.4 -1,-0.2 0.944 107.2 48.2 -69.1 -41.4 32.8 -29.5 -17.6 401 996 A Q H X S+ 0 0 23 -4,-1.0 4,-1.8 -3,-0.2 -2,-0.2 0.918 107.3 55.4 -60.8 -45.8 36.4 -28.2 -17.6 402 997 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.933 102.0 59.0 -44.9 -53.3 36.9 -29.8 -14.2 403 998 A A H X S+ 0 0 35 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.911 104.9 50.0 -42.8 -50.0 35.7 -33.1 -15.8 404 999 A L H X S+ 0 0 73 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.889 113.0 44.6 -64.3 -38.5 38.6 -32.9 -18.2 405 1000 A T H X S+ 0 0 0 -4,-1.8 4,-0.9 -3,-0.2 -2,-0.2 0.947 112.6 51.1 -71.9 -48.0 41.3 -32.2 -15.5 406 1001 A T H ><>S+ 0 0 6 -4,-3.2 5,-2.0 1,-0.2 3,-1.4 0.964 113.9 43.8 -52.8 -53.2 40.0 -34.9 -13.2 407 1002 A A H ><5S+ 0 0 41 -4,-2.6 3,-2.7 1,-0.3 -1,-0.2 0.954 109.0 56.1 -58.7 -45.3 40.0 -37.5 -15.9 408 1003 A D H 3<5S+ 0 0 101 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.717 108.1 52.6 -61.2 -14.5 43.4 -36.4 -17.2 409 1004 A A T <<5S- 0 0 22 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.214 124.5 -99.2-105.9 11.1 44.6 -37.0 -13.6 410 1005 A G T < 5S+ 0 0 58 -3,-2.7 2,-0.6 1,-0.2 -3,-0.2 0.754 84.1 124.5 78.5 23.5 43.4 -40.5 -13.2 411 1006 A L < + 0 0 27 -5,-2.0 3,-0.4 -6,-0.2 -1,-0.2 -0.918 25.4 167.8-110.4 103.8 40.2 -39.8 -11.3 412 1007 A H + 0 0 153 -2,-0.6 -1,-0.1 1,-0.2 -5,-0.1 0.498 67.4 53.3-104.0 4.0 37.3 -41.4 -13.3 413 1008 A D + 0 0 121 -7,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.308 67.2 157.9-127.9 61.9 34.6 -41.1 -10.7 414 1009 A A - 0 0 28 -3,-0.4 2,-1.0 -11,-0.1 -26,-0.2 -0.480 45.7-126.2 -72.1 149.4 34.4 -37.6 -9.5 415 1010 A Q E -g 388 0B 20 -28,-1.5 -26,-2.4 -2,-0.1 2,-0.8 -0.905 33.1-173.0 -87.9 96.2 31.2 -36.4 -7.9 416 1011 A L E -g 389 0B 48 -2,-1.0 -26,-0.2 -28,-0.2 61,-0.1 -0.899 6.6-171.3 -94.9 101.5 30.7 -33.3 -10.2 417 1012 A I E -g 390 0B 0 -28,-1.9 -26,-1.6 -2,-0.8 2,-0.1 -0.862 4.3-166.4-106.8 113.8 27.8 -31.4 -8.6 418 1013 A P - 0 0 8 0, 0.0 -26,-0.1 0, 0.0 3,-0.1 -0.363 9.1-161.6 -94.6 168.8 26.1 -28.5 -10.3 419 1014 A T + 0 0 4 1,-0.4 2,-0.2 -28,-0.4 14,-0.1 0.590 65.0 14.6-110.6 -83.8 23.7 -25.9 -9.0 420 1015 A L - 0 0 0 -27,-1.5 -1,-0.4 -29,-0.2 2,-0.4 -0.548 60.9-168.6 -98.3 158.6 21.7 -23.9 -11.5 421 1016 A A > - 0 0 12 3,-0.3 3,-1.2 -26,-0.2 -26,-0.2 -1.000 31.5-104.5-144.9 139.5 21.2 -24.6 -15.3 422 1017 A R T 3 S+ 0 0 160 -2,-0.4 3,-0.1 1,-0.3 -27,-0.0 -0.452 108.3 10.6 -61.5 131.6 19.8 -22.7 -18.1 423 1018 A K T 3 S+ 0 0 94 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.863 104.6 108.1 70.4 35.8 16.3 -24.1 -18.9 424 1019 A Q S < S- 0 0 62 -3,-1.2 -3,-0.3 48,-0.0 -1,-0.2 -0.981 83.0 -93.8-141.3 142.8 16.0 -26.3 -15.8 425 1020 A D > - 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0 0 17 -5,-1.4 -1,-0.3 -6,-0.3 -245,-0.0 -0.334 68.6 -72.2 -60.3 153.2 29.0 -34.5 3.1 443 1038 A D S S+ 0 0 90 -245,-0.2 -245,-0.3 2,-0.0 -1,-0.2 -0.293 76.8 133.2 -48.5 129.4 27.4 -32.1 5.6 444 1039 A L - 0 0 19 -247,-0.1 2,-0.7 -3,-0.1 -248,-0.2 -0.514 47.8-140.7 175.8 109.6 23.8 -31.5 4.7 445 1040 A D - 0 0 48 -250,-2.3 3,-0.3 1,-0.2 4,-0.1 -0.702 15.4-170.1 -84.7 114.3 20.9 -31.7 7.1 446 1041 A I S > S+ 0 0 4 -2,-0.7 3,-1.8 1,-0.2 -1,-0.2 0.780 78.4 71.8 -84.0 -23.6 18.2 -33.3 5.1 447 1042 A R G > S+ 0 0 143 -376,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.932 89.8 64.5 -47.0 -44.7 15.5 -32.6 7.7 448 1043 A T G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.548 82.0 75.3 -68.3 -9.6 15.8 -29.0 6.6 449 1044 A L G < S+ 0 0 30 -3,-1.8 2,-0.4 -4,-0.1 -1,-0.3 0.234 94.5 65.2 -81.4 12.9 14.5 -29.7 3.1 450 1045 A F S < S- 0 0 26 -3,-1.7 3,-0.1 -382,-0.1 -1,-0.0 -0.996 86.5-114.8-135.9 142.5 11.1 -30.0 4.6 451 1046 A S - 0 0 80 -2,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.153 49.6 -86.8 -57.3 152.5 8.8 -27.7 6.3 452 1047 A R - 0 0 176 1,-0.1 -1,-0.1 -4,-0.1 2,-0.1 -0.502 54.7 -99.8 -63.7 136.6 8.0 -28.2 10.0 453 1048 A A - 0 0 29 -2,-0.2 -1,-0.1 1,-0.2 6,-0.0 -0.391 32.4-170.2 -63.6 130.0 5.0 -30.7 10.3 454 1049 A S - 0 0 100 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.603 68.4 -12.8 -94.6 -15.8 1.8 -28.8 11.0 455 1050 A G S > S- 0 0 17 1,-0.0 3,-2.0 0, 0.0 -1,-0.2 -0.983 81.8 -77.3-168.0 177.9 -0.2 -32.1 11.7 456 1051 A P G > S+ 0 0 115 0, 0.0 3,-1.6 0, 0.0 -1,-0.0 0.738 119.8 63.9 -57.8 -27.7 -0.2 -35.9 11.6 457 1052 A Q G 3 S+ 0 0 143 1,-0.3 -395,-0.3 -396,-0.0 -392,-0.1 0.531 87.4 73.5 -78.8 1.6 -1.0 -36.0 7.9 458 1053 A D G < S+ 0 0 34 -3,-2.0 -1,-0.3 -393,-0.1 2,-0.2 0.595 97.0 57.7 -86.5 -13.6 2.4 -34.3 7.4 459 1054 A Y S < S- 0 0 84 -3,-1.6 2,-0.3 -4,-0.2 -393,-0.2 -0.629 74.6-144.0-103.8 170.7 3.9 -37.7 8.3 460 1055 A A - 0 0 10 -395,-0.5 2,-1.4 -2,-0.2 -402,-0.1 -0.938 23.2-118.5-131.9 153.8 3.5 -41.2 6.6 461 1056 A N + 0 0 114 -2,-0.3 -395,-0.1 -404,-0.1 -404,-0.0 -0.473 48.5 172.7 -90.4 62.0 3.4 -44.7 8.1 462 1057 A I - 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0 0 38 -4,-0.1 -4,-1.7 -59,-0.1 2,-0.4 -0.963 63.1-108.5-121.9 145.6 24.5 -35.4 -14.3 477 10 D A B L 471 0D 96 -2,-0.4 -6,-0.2 -6,-0.2 -61,-0.0 -0.584 360.0 360.0 -60.2 120.8 26.7 -35.4 -17.4 478 11 D V 0 0 92 -8,-2.3 -8,-0.3 -2,-0.4 -1,-0.1 -0.270 360.0 360.0-113.3 360.0 24.1 -36.5 -19.9