==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JAN-11 3QGO . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR G.BIRRANE,B.BHYRAVBHATLA,M.NAVIA . 319 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 5 2 0 0 0 0 1 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 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 1 A I 0 0 89 0, 0.0 2,-0.5 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 165.8 43.8 -18.6 42.3 2 2 A T + 0 0 133 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.810 360.0 101.1 -91.7 127.8 42.2 -21.9 43.1 3 3 A G - 0 0 41 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.939 69.1 -62.5-175.4-160.5 40.9 -22.3 46.6 4 4 A T E -A 24 0A 88 20,-2.1 20,-2.9 -2,-0.3 2,-0.2 -0.874 48.8-107.4-114.0 142.8 37.9 -22.2 48.8 5 5 A S E +A 23 0A 71 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.443 46.0 169.9 -71.1 133.2 35.6 -19.2 49.4 6 6 A T E -A 22 0A 31 16,-2.6 16,-2.4 -2,-0.2 2,-0.5 -0.772 32.1-121.1-135.0 175.1 35.9 -17.7 52.8 7 7 A V E -A 21 0A 90 14,-0.2 14,-0.2 -2,-0.2 2,-0.1 -0.965 28.4-176.0-132.3 109.1 34.8 -14.6 54.7 8 8 A G E -A 20 0A 2 12,-2.8 12,-2.1 -2,-0.5 2,-0.3 -0.409 13.7-140.4 -91.9 173.1 37.4 -12.2 56.2 9 9 A V E +Ab 19 61A 33 51,-1.8 53,-2.9 10,-0.2 2,-0.3 -0.994 31.3 140.7-136.5 144.8 36.8 -9.2 58.3 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.5 -2,-0.3 2,-0.4 -0.930 43.0 -96.2-162.4-173.8 38.7 -5.9 58.3 11 11 A R E -A 17 0A 105 51,-2.2 60,-0.3 -2,-0.3 6,-0.2 -0.970 31.3-139.9-120.8 137.1 38.5 -2.1 58.6 12 12 A G > - 0 0 4 4,-2.4 3,-2.1 -2,-0.4 56,-0.2 -0.177 40.4 -81.1 -82.2-176.8 38.3 0.3 55.7 13 13 A V T 3 S+ 0 0 30 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.820 129.2 49.9 -57.3 -36.6 39.9 3.7 55.2 14 14 A L T 3 S- 0 0 90 54,-0.1 -1,-0.3 121,-0.1 121,-0.0 0.398 121.8-102.8 -89.2 7.4 37.3 5.5 57.3 15 15 A G S < S+ 0 0 49 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.537 74.0 141.8 88.7 8.9 37.7 3.0 60.2 16 16 A D - 0 0 36 1,-0.0 -4,-2.4 0, 0.0 2,-0.3 -0.681 48.1-128.3 -87.6 140.5 34.5 1.1 59.6 17 17 A Q E +A 11 0A 129 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.617 36.2 163.1 -88.3 136.8 34.5 -2.7 60.1 18 18 A K E -A 10 0A 15 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.3 -0.992 36.7-115.3-150.9 153.2 33.1 -4.9 57.3 19 19 A N E -A 9 0A 103 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.662 31.9-163.9 -83.4 144.7 33.2 -8.5 56.1 20 20 A I E -A 8 0A 3 -12,-2.1 -12,-2.8 -2,-0.3 2,-0.5 -0.985 22.7-116.1-133.8 144.4 34.9 -9.2 52.8 21 21 A N E +A 7 0A 45 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.701 45.2 168.5 -79.8 120.3 34.8 -12.2 50.5 22 22 A T E -A 6 0A 0 -16,-2.4 -16,-2.6 -2,-0.5 2,-0.4 -0.650 29.5-127.4-123.2-179.1 38.2 -13.9 50.4 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.0 -18,-0.2 2,-0.5 -1.000 17.9-145.4-135.5 131.8 39.7 -17.2 49.1 24 24 A Y E +AC 4 28A 96 -20,-2.9 -20,-2.1 -2,-0.4 4,-0.2 -0.874 39.1 136.4-102.8 128.6 41.8 -19.6 51.1 25 25 A S S S- 0 0 54 2,-2.8 2,-2.3 -2,-0.5 -23,-0.0 -0.588 95.8 -45.9-163.6 93.0 44.7 -21.6 49.7 26 26 A T S S+ 0 0 110 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.375 140.5 37.3 71.3 -58.9 47.7 -21.4 52.2 27 27 A Y S S- 0 0 114 -2,-2.3 -2,-2.8 -4,-0.0 2,-0.5 -0.711 92.7-112.3-101.9 168.0 47.0 -17.7 52.4 28 28 A Y E -CD 24 57A 59 29,-2.8 29,-2.4 -2,-0.3 2,-0.3 -0.900 39.2-161.4 -97.9 123.8 43.8 -15.8 52.4 29 29 A Y E -CD 23 56A 44 -6,-3.0 2,-2.2 -2,-0.5 -6,-1.8 -0.827 29.9-113.3-108.8 148.4 43.5 -13.7 49.2 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.4 11,-0.3 2,-0.4 -0.560 72.4 129.5 -76.1 80.9 41.3 -10.7 48.3 31 31 A Q E -E 40 0B 8 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.950 43.4-162.0-142.0 111.3 39.4 -12.8 45.8 32 32 A D E > +E 39 0B 2 7,-2.7 7,-1.6 -2,-0.4 3,-0.6 -0.876 10.0 179.4-100.1 105.3 35.6 -12.7 46.0 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.422 66.7 81.9 -85.9 0.0 34.2 -15.7 44.1 34 34 A T T 3 S+ 0 0 85 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.564 84.0 61.8 -83.1 -9.1 30.6 -14.8 44.8 35 35 A R S X S- 0 0 46 -3,-0.6 3,-2.3 4,-0.0 -1,-0.2 -0.942 111.5 -64.6-127.3 111.2 30.2 -12.2 42.1 36 36 A G T 3 S- 0 0 29 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.234 112.9 -17.4 54.8-135.3 30.6 -13.1 38.4 37 37 A N T 3 S- 0 0 108 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.254 119.5 -81.0 -88.1 11.5 34.0 -14.3 37.4 38 38 A G < - 0 0 2 -3,-2.3 62,-2.3 60,-0.2 2,-0.4 -0.066 28.1-109.1 113.2 156.1 35.4 -12.8 40.6 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-2.7 60,-0.2 2,-0.4 -0.991 36.6-171.1-118.5 126.5 36.6 -9.6 42.2 40 40 A F E -Ef 31 101B 21 60,-3.0 62,-2.2 -2,-0.4 2,-0.4 -0.984 7.4-162.3-128.6 127.4 40.4 -9.5 42.7 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.7 -2,-0.4 -11,-0.3 -0.941 11.0-164.7-121.2 135.1 42.4 -6.9 44.6 42 42 A Y E -Gf 54 103B 26 60,-2.9 62,-2.4 -2,-0.4 2,-0.6 -0.831 20.8-125.6-122.0 151.8 46.1 -6.4 44.3 43 43 A D E -Gf 53 104B 26 10,-3.0 10,-2.1 -2,-0.3 62,-0.2 -0.894 15.7-175.0 -97.2 113.7 49.0 -4.7 46.1 44 44 A A > - 0 0 4 60,-2.7 3,-2.3 -2,-0.6 5,-0.3 0.497 30.1-142.1 -85.4 -7.8 50.9 -2.3 43.9 45 45 A K T 3 - 0 0 103 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.756 62.4 -57.5 58.0 34.8 53.4 -1.7 46.8 46 46 A Y T 3 S+ 0 0 112 59,-2.4 -1,-0.3 1,-0.3 60,-0.2 0.516 114.9 110.3 72.9 9.4 53.9 2.0 46.1 47 47 A R S < S- 0 0 172 -3,-2.3 60,-2.1 58,-0.3 -1,-0.3 -0.466 72.0-128.5-103.1 179.3 55.0 1.3 42.6 48 48 A T S S+ 0 0 82 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.358 72.0 111.4-112.4 3.7 53.5 2.0 39.2 49 49 A T S S- 0 0 102 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.624 71.4-101.7 -74.6 132.9 53.9 -1.5 37.8 50 50 A L S S- 0 0 50 -2,-0.3 -2,-0.1 1,-0.2 -6,-0.0 -0.933 80.0 -3.7-122.7 147.7 50.4 -3.1 37.4 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.996 78.7-167.4 -83.3 -12.4 48.6 -5.0 38.7 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.702 48.6 -22.9 91.4-153.1 51.1 -5.9 41.4 53 53 A S E -G 43 0B 52 -10,-2.1 -10,-3.0 -2,-0.3 -8,-0.1 -0.819 66.7-106.6-104.0 131.6 50.6 -9.0 43.6 54 54 A L E -G 42 0B 31 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.322 55.5 -97.3 -52.3 131.2 47.2 -10.6 44.4 55 55 A W - 0 0 13 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.391 48.5-171.6 -68.9 120.0 46.6 -9.4 48.0 56 56 A A E -D 29 0A 45 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.883 6.8-178.8-114.9 136.6 47.7 -12.3 50.4 57 57 A D E -D 28 0A 22 -29,-2.4 -29,-2.8 -2,-0.4 3,-0.1 -1.000 24.3-142.6-138.5 137.5 47.0 -12.3 54.1 58 58 A A S S+ 0 0 77 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.795 94.5 22.7 -70.1 -32.1 48.0 -14.9 56.7 59 59 A D S S- 0 0 90 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.377 95.7-113.4-124.7 4.1 44.9 -14.8 59.0 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.8 -32,-0.2 2,-0.5 0.621 81.7 115.8 69.8 16.2 41.9 -13.4 57.1 61 61 A Q E -b 9 0A 108 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.972 44.7-171.2-117.9 129.4 41.8 -10.3 59.3 62 62 A F E +b 10 0A 0 -53,-2.9 -51,-2.2 -2,-0.5 9,-0.1 -0.562 40.7 123.3-125.0 62.1 42.5 -7.0 57.6 63 63 A F + 0 0 53 -2,-0.3 -1,-0.1 -53,-0.3 2,-0.1 0.341 38.9 111.1-106.0 2.3 42.8 -4.4 60.4 64 64 A A S >> S- 0 0 49 -3,-0.2 4,-1.0 1,-0.1 3,-1.0 -0.475 76.8-121.0 -75.6 151.0 46.3 -3.0 59.6 65 65 A S G >4 S+ 0 0 113 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.919 115.8 56.2 -57.1 -39.5 46.5 0.5 58.3 66 66 A Y G 34 S+ 0 0 62 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.775 105.3 53.6 -60.8 -29.2 48.2 -0.9 55.1 67 67 A D G X> S+ 0 0 16 -3,-1.0 4,-2.3 1,-0.2 3,-0.7 0.718 85.4 85.0 -76.3 -27.7 45.2 -3.1 54.6 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.836 112.8 50.8 -64.1 -33.6 42.6 0.7 51.1 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.4 5,-0.3 0.899 107.1 53.5 -67.2 -45.1 42.5 -2.9 49.9 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -60,-0.3 5,-0.2 0.937 114.3 41.9 -52.4 -49.7 39.5 -3.7 52.1 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.894 112.1 52.1 -71.9 -41.6 37.5 -0.8 50.6 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.927 116.4 42.7 -55.7 -44.4 38.6 -1.3 47.0 74 74 A H H X S+ 0 0 3 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.945 118.0 43.3 -68.1 -51.5 37.5 -4.9 47.3 75 75 A Y H X S+ 0 0 96 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.922 114.8 47.9 -64.1 -45.6 34.2 -4.3 49.2 76 76 A Y H X S+ 0 0 11 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.805 105.3 58.9 -74.0 -26.1 33.1 -1.3 47.1 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.904 107.6 49.7 -60.7 -40.1 33.8 -3.2 43.8 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.913 109.0 49.3 -62.3 -42.3 31.3 -5.7 45.2 79 79 A V H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.915 112.1 49.4 -62.8 -42.5 28.7 -3.0 46.0 80 80 A T H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.918 109.9 50.8 -64.3 -45.5 29.1 -1.6 42.5 81 81 A Y H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 11,-0.3 0.929 110.5 50.0 -52.8 -47.7 28.7 -5.0 40.9 82 82 A D H X S+ 0 0 39 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.896 108.3 53.1 -63.3 -39.3 25.6 -5.6 43.0 83 83 A Y H X>S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 5,-0.7 0.968 112.3 43.3 -59.5 -52.5 24.1 -2.2 41.8 84 84 A Y H X5S+ 0 0 6 -4,-2.4 6,-2.4 3,-0.2 4,-1.2 0.891 119.6 43.3 -64.5 -39.3 24.6 -2.9 38.2 85 85 A K H X5S+ 0 0 89 -4,-2.5 4,-1.1 4,-0.3 -2,-0.2 0.953 122.2 35.3 -69.3 -50.8 23.3 -6.5 38.5 86 86 A N H <5S+ 0 0 98 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.819 128.5 33.3 -76.6 -35.1 20.3 -5.8 40.7 87 87 A V H <5S+ 0 0 55 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.852 135.7 19.3 -89.1 -39.3 19.3 -2.4 39.4 88 88 A H H < - 0 0 51 -2,-0.5 6,-2.5 4,-0.3 4,-0.6 -0.782 64.3 -45.3 -94.0 99.0 26.6 -8.6 34.8 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.8 -11,-0.3 7,-0.1 -0.001 93.4 -54.3 61.3-171.0 29.8 -6.8 35.6 93 93 A Y T 34 S+ 0 0 21 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.799 138.3 43.8 -73.9 -27.3 31.2 -4.0 33.4 94 94 A D T 34 S- 0 0 46 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.432 108.8-116.1 -93.3 -2.5 31.1 -6.0 30.1 95 95 A G S << S+ 0 0 34 -3,-0.8 -4,-0.3 -4,-0.6 -3,-0.2 0.443 103.1 79.2 79.1 -0.2 27.7 -7.5 30.6 96 96 A N S S- 0 0 121 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.086 113.9 -93.8-131.8 34.3 29.3 -11.0 30.7 97 97 A N - 0 0 35 -6,-2.5 -60,-1.7 1,-0.2 -5,-0.2 0.766 53.5-171.6 62.4 32.6 30.7 -11.2 34.3 98 98 A A - 0 0 14 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.216 34.1 -99.7 -49.5 138.7 34.2 -9.9 33.5 99 99 A A - 0 0 13 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.367 33.7-133.9 -58.7 138.2 36.5 -10.3 36.5 100 100 A I E -f 39 0B 6 -62,-2.3 -60,-3.0 -3,-0.1 2,-0.4 -0.899 25.2-171.4-103.3 116.1 36.9 -7.0 38.3 101 101 A R E +f 40 0B 92 -2,-0.6 19,-2.8 17,-0.3 2,-0.3 -0.916 6.5 176.8-111.2 135.0 40.6 -6.2 39.2 102 102 A S E -fh 41 120B 0 -62,-2.2 -60,-2.9 -2,-0.4 2,-0.4 -0.996 13.9-157.1-136.3 143.1 41.8 -3.4 41.4 103 103 A S E -fh 42 121B 0 17,-2.2 19,-2.4 -2,-0.3 2,-0.2 -0.961 11.4-167.9-118.8 135.5 45.2 -2.3 42.6 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-2.7 -2,-0.4 -59,-0.3 -0.687 64.5 44.2-113.4 170.3 45.9 -0.2 45.7 105 105 A H E S+ 0 0 7 17,-0.4 -59,-2.4 -2,-0.2 2,-0.5 0.885 73.6 178.1 57.2 41.2 48.9 1.6 47.0 106 106 A Y E - h 0 123B 37 16,-2.2 18,-0.5 -3,-0.2 4,-0.4 -0.642 50.5 -36.2 -74.7 122.6 49.6 2.8 43.5 107 107 A S S S- 0 0 35 -60,-2.1 2,-0.4 -2,-0.5 -60,-0.1 -0.132 90.5 -63.3 62.4-161.4 52.7 5.1 43.5 108 108 A Q S S- 0 0 154 1,-0.1 18,-0.1 15,-0.1 -1,-0.1 -0.993 109.3 -7.4-125.8 127.8 53.6 7.4 46.4 109 109 A G S S+ 0 0 41 -2,-0.4 2,-0.7 16,-0.4 17,-0.3 0.767 82.7 171.0 64.1 27.3 51.3 10.4 47.4 110 110 A Y - 0 0 68 -4,-0.4 15,-2.1 15,-0.4 2,-1.0 -0.617 23.6-160.8 -85.7 113.3 49.1 9.9 44.4 111 111 A N + 0 0 52 -2,-0.7 2,-0.3 13,-0.1 -1,-0.1 -0.299 62.2 57.4 -88.3 48.5 46.0 12.0 44.6 112 112 A N - 0 0 33 -2,-1.0 11,-2.5 206,-0.1 2,-0.3 -0.979 56.3-150.2-162.8 173.3 43.9 10.1 42.1 113 113 A A E +I 122 0B 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.953 24.4 172.4-148.6 152.6 42.2 6.8 41.1 114 114 A F E -I 121 0B 42 7,-2.4 7,-2.1 -2,-0.3 2,-0.5 -0.996 37.9-118.2-160.4 156.3 41.4 5.6 37.6 115 115 A W E -I 120 0B 22 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.889 26.3-164.1 -91.1 127.8 40.2 2.8 35.3 116 116 A N - 0 0 69 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.250 53.8 -88.2-103.6 15.0 43.1 2.1 32.9 117 117 A G S S+ 0 0 41 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.081 124.7 37.2 98.9 -16.4 41.2 0.1 30.3 118 118 A S S S- 0 0 85 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.531 121.7 -2.0-134.7 -28.3 41.7 -3.2 32.1 119 119 A Q S S- 0 0 15 -19,-0.1 -3,-2.5 -5,-0.0 -1,-0.4 -0.977 71.3 -92.3-160.4 167.3 41.5 -2.6 35.9 120 120 A M E -hI 102 115B 0 -19,-2.8 -17,-2.2 -2,-0.3 2,-0.4 -0.706 32.1-162.7 -96.2 152.4 41.1 -0.0 38.6 121 121 A V E -hI 103 114B 0 -7,-2.1 -7,-2.4 -2,-0.3 2,-0.5 -1.000 2.4-164.5-137.8 128.3 44.0 1.7 40.2 122 122 A Y E - I 0 113B 1 -19,-2.4 -16,-2.2 -2,-0.4 -17,-0.4 -0.971 7.0-151.8-125.6 123.7 44.0 3.7 43.5 123 123 A G E -h 106 0B 0 -11,-2.5 10,-1.6 -2,-0.5 11,-0.4 -0.351 20.3-130.7 -71.2 165.7 46.4 6.1 44.9 124 124 A D - 0 0 27 -18,-0.5 3,-0.3 8,-0.2 -13,-0.1 0.509 44.2-131.4 -91.2 -5.8 46.9 6.6 48.7 125 125 A G - 0 0 8 -15,-2.1 -16,-0.4 -13,-0.2 -15,-0.4 -0.050 25.2 -87.0 70.2 171.9 46.7 10.4 48.4 126 126 A D - 0 0 76 -17,-0.3 -1,-0.2 4,-0.1 5,-0.2 0.358 57.5-111.4 -95.6 2.4 49.1 12.7 50.1 127 127 A G S S+ 0 0 33 3,-2.5 4,-0.1 -3,-0.3 -2,-0.1 0.254 108.6 57.8 86.6 -10.4 47.2 12.7 53.4 128 128 A Q S S+ 0 0 155 2,-0.3 68,-0.4 66,-0.1 3,-0.1 0.738 114.7 26.0-119.0 -50.6 46.2 16.4 52.9 129 129 A T S S+ 0 0 55 1,-0.3 65,-3.0 65,-0.2 2,-0.3 0.909 136.7 4.2 -76.9 -43.9 44.3 16.7 49.6 130 130 A F B -J 193 0C 8 63,-0.3 -3,-2.5 64,-0.1 -1,-0.3 -0.985 56.5-149.8-138.4 149.9 43.2 13.0 49.7 131 131 A I S S- 0 0 35 61,-2.3 -5,-0.1 -2,-0.3 -6,-0.1 -0.538 73.5 -42.5 -98.4 176.8 43.3 10.0 51.9 132 132 A P > - 0 0 27 0, 0.0 3,-2.1 0, 0.0 -8,-0.2 -0.157 61.6-138.6 -55.1 131.4 43.3 6.6 50.1 133 133 A L G > S+ 0 0 0 -10,-1.6 3,-1.7 1,-0.3 7,-0.2 0.678 92.6 72.5 -77.3 -16.9 40.8 7.0 47.4 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.2 0.615 80.2 80.5 -67.9 -11.4 39.2 3.6 47.6 135 135 A G G < S+ 0 0 0 -3,-2.1 2,-0.7 -4,-0.1 -1,-0.3 0.597 80.0 77.2 -64.9 -14.3 37.6 4.9 50.8 136 136 A G <> - 0 0 0 -3,-1.7 4,-2.3 1,-0.2 3,-0.3 -0.889 64.6-162.2-102.0 113.5 35.0 6.8 48.6 137 137 A I H > S+ 0 0 9 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.884 95.2 55.2 -61.4 -36.1 32.2 4.6 47.2 138 138 A D H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.854 107.9 49.5 -64.5 -31.5 31.5 7.3 44.7 139 139 A V H > S+ 0 0 0 -3,-0.3 4,-2.4 -6,-0.2 5,-0.2 0.938 112.4 46.2 -68.8 -50.3 35.1 7.2 43.5 140 140 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -7,-0.2 5,-0.2 0.952 117.7 43.2 -57.3 -49.3 35.1 3.4 43.2 141 141 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.837 109.6 58.1 -70.0 -34.6 31.8 3.5 41.3 142 142 A H H X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.950 112.1 40.4 -56.6 -48.0 32.8 6.5 39.2 143 143 A E H X S+ 0 0 6 -4,-2.4 4,-0.9 1,-0.2 3,-0.3 0.898 113.0 51.8 -80.1 -32.3 35.8 4.6 37.9 144 144 A L H >X S+ 0 0 6 -4,-2.5 4,-1.6 -5,-0.2 3,-0.5 0.867 103.7 61.1 -65.9 -28.2 34.1 1.3 37.4 145 145 A T H 3X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.838 94.7 61.7 -67.0 -31.4 31.4 3.1 35.4 146 146 A H H 3X S+ 0 0 12 -4,-1.1 4,-2.7 -3,-0.3 -1,-0.2 0.872 101.9 52.8 -56.1 -37.2 34.2 4.1 33.0 147 147 A A H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 3,-1.3 0.925 107.7 55.6 -56.2 -45.5 31.1 3.2 29.3 150 150 A D H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 111.7 43.8 -56.2 -36.7 34.1 1.7 27.5 151 151 A Y H 3<5S+ 0 0 123 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.495 127.9 25.2 -86.7 -5.8 32.1 -1.5 26.7 152 152 A T T <<5S+ 0 0 42 -3,-1.3 -3,-0.2 -4,-0.7 120,-0.1 0.465 131.8 9.1-123.4-101.2 29.0 0.4 25.7 153 153 A A T 5S- 0 0 4 118,-0.3 -3,-0.2 123,-0.1 126,-0.1 0.848 76.2-151.4 -60.2 -36.7 28.8 3.9 24.3 154 154 A G < - 0 0 24 -5,-2.8 -4,-0.1 1,-0.2 -1,-0.1 0.772 16.6-164.5 72.4 24.3 32.6 4.2 24.0 155 155 A L - 0 0 5 -6,-0.2 -1,-0.2 1,-0.1 123,-0.2 -0.169 21.4-118.3 -48.2 119.7 32.6 8.0 24.5 156 156 A I - 0 0 70 121,-2.8 2,-2.0 -3,-0.1 9,-0.2 -0.385 23.3-118.0 -65.6 141.0 35.9 9.4 23.4 157 157 A Y S S+ 0 0 83 5,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.346 81.4 77.1 -88.9 62.8 37.7 11.1 26.3 158 158 A Q S >> S- 0 0 101 -2,-2.0 4,-2.0 70,-0.1 3,-0.5 -0.978 88.6 -15.3-162.5 149.7 37.9 14.6 24.9 159 159 A N H 3> S- 0 0 88 68,-2.4 4,-2.2 -2,-0.3 5,-0.2 -0.121 120.7 -16.4 53.3-143.3 35.7 17.6 24.5 160 160 A E H 3> S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 139.4 51.8 -66.9 -41.5 31.9 17.1 24.8 161 161 A S H <> S+ 0 0 13 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.905 112.0 49.2 -58.6 -36.4 32.0 13.3 24.5 162 162 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.852 108.7 51.6 -69.9 -38.4 34.6 13.2 27.2 163 163 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.856 110.3 49.5 -65.9 -38.4 32.6 15.5 29.5 164 164 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 115,-0.2 5,-0.2 0.928 108.7 53.2 -61.7 -44.9 29.6 13.2 29.0 165 165 A N H X S+ 0 0 3 -4,-2.2 4,-1.9 -9,-0.2 -2,-0.2 0.948 112.7 44.5 -53.6 -50.4 31.9 10.2 29.8 166 166 A E H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.910 112.8 49.7 -60.9 -46.8 32.9 12.0 33.1 167 167 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.908 107.1 55.5 -62.2 -42.8 29.3 13.0 34.0 168 168 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.925 109.5 48.1 -55.5 -42.6 28.1 9.4 33.4 169 169 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.891 112.8 46.4 -67.6 -36.4 30.7 8.3 35.9 170 170 A D H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.905 113.5 50.9 -70.4 -38.0 29.7 11.0 38.5 171 171 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.964 117.0 37.6 -62.7 -55.2 26.0 10.2 38.0 172 172 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.840 112.2 58.3 -73.0 -30.5 26.4 6.4 38.5 173 173 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.945 111.6 43.6 -58.2 -41.4 29.0 6.9 41.2 174 174 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.892 111.3 52.4 -66.7 -46.2 26.3 8.9 43.0 175 175 A L H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.891 110.3 48.9 -62.8 -35.9 23.6 6.4 42.3 176 176 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.914 108.6 54.6 -64.6 -41.6 25.8 3.6 43.7 177 177 A E H X>S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 5,-0.7 0.929 110.7 45.0 -57.3 -43.2 26.4 5.8 46.7 178 178 A F H <5S+ 0 0 34 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.879 109.2 56.3 -66.4 -39.6 22.6 6.1 47.2 179 179 A Y H <5S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 109.3 45.4 -57.7 -43.6 22.2 2.3 46.6 180 180 A A H <5S- 0 0 40 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.783 99.6-151.1 -72.4 -28.6 24.7 1.6 49.5 181 181 A N T <5 + 0 0 120 -4,-1.5 2,-0.6 -5,-0.2 -3,-0.2 0.752 46.3 133.7 65.3 32.3 22.8 4.2 51.6 182 182 A K S > S+ 0 0 0 -2,-0.6 3,-1.5 12,-0.2 4,-1.1 0.461 77.4 138.6 91.8 5.7 34.6 12.5 46.5 190 190 A E T 34 + 0 0 33 1,-0.3 10,-0.1 2,-0.2 3,-0.1 0.750 64.4 61.4 -55.3 -33.0 33.6 13.9 49.9 191 191 A D T 34 S+ 0 0 42 1,-0.2 -1,-0.3 -58,-0.1 10,-0.1 0.726 118.3 25.8 -70.6 -24.1 34.5 10.8 52.0 192 192 A V T <4 S+ 0 0 2 -3,-1.5 -61,-2.3 -59,-0.1 2,-0.4 0.416 99.2 102.1-118.5 -1.3 38.2 10.9 51.0 193 193 A Y B < S-J 130 0C 51 -4,-1.1 -63,-0.3 1,-0.2 4,-0.2 -0.706 91.0 -16.9 -93.6 136.5 38.8 14.6 50.2 194 194 A T > - 0 0 16 -65,-3.0 3,-2.4 -2,-0.4 -1,-0.2 0.888 57.2-161.3 42.5 74.3 40.6 17.0 52.6 195 195 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.807 89.1 60.2 -57.4 -22.6 40.5 15.2 55.9 196 196 A G T 3 S+ 0 0 79 -68,-0.4 2,-0.4 1,-0.1 -2,-0.1 0.511 100.4 62.1 -78.8 -2.9 41.2 18.6 57.6 197 197 A I S X S- 0 0 99 -3,-2.4 3,-0.5 -4,-0.2 2,-0.3 -0.983 73.6-141.5-131.0 124.1 38.0 20.3 56.1 198 198 A S T 3 S+ 0 0 116 -2,-0.4 -4,-0.0 1,-0.2 -2,-0.0 -0.601 76.4 10.9 -85.1 140.0 34.4 19.3 56.8 199 199 A G T 3 S+ 0 0 76 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.377 92.0 114.7 86.7 2.2 31.7 19.4 54.2 200 200 A D < - 0 0 27 -3,-0.5 2,-0.3 -6,-0.2 -1,-0.2 -0.387 36.3-178.0 -99.4 176.4 33.7 19.9 51.0 201 201 A S - 0 0 1 -2,-0.1 -12,-0.2 1,-0.1 3,-0.1 -0.943 40.0-104.4-159.9 177.0 34.2 17.7 47.9 202 202 A L S S+ 0 0 38 -14,-2.2 2,-0.3 -2,-0.3 -13,-0.2 0.901 101.2 1.6 -81.4 -41.7 36.0 17.6 44.6 203 203 A R E -K 188 0D 7 -15,-1.3 -15,-2.9 -3,-0.1 2,-0.4 -0.931 65.9-142.2-137.6 164.7 33.0 18.3 42.5 204 204 A S E -K 187 0D 1 -2,-0.3 -17,-0.2 -17,-0.2 7,-0.1 -0.998 11.2-173.0-128.8 131.2 29.3 19.0 43.2 205 205 A M S S+ 0 0 0 -19,-2.9 37,-0.2 -2,-0.4 -18,-0.2 0.792 92.1 53.8 -81.6 -36.2 26.4 17.8 41.1 206 206 A S S S+ 0 0 24 -20,-0.8 -1,-0.1 1,-0.3 -19,-0.1 0.837 134.4 4.9 -67.8 -36.6 23.8 19.9 43.1 207 207 A D > + 0 0 63 -21,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.581 66.3 178.9-148.1 78.4 25.9 23.1 42.5 208 208 A P G > >S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 5,-1.7 0.830 79.3 68.7 -53.6 -31.3 28.8 22.6 40.2 209 209 A A G > 5S+ 0 0 43 1,-0.3 3,-1.8 3,-0.2 6,-0.0 0.669 77.2 81.9 -63.7 -17.4 29.7 26.2 40.4 210 210 A K G < 5S+ 0 0 110 -3,-2.3 -1,-0.3 1,-0.3 -7,-0.0 0.836 105.5 31.5 -50.5 -37.7 30.7 25.6 44.1 211 211 A Y G < 5S- 0 0 41 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.041 128.4 -94.7-113.6 20.9 34.0 24.4 42.7 212 212 A G T < 5S+ 0 0 24 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.394 80.5 137.2 84.4 -0.7 34.1 26.6 39.6 213 213 A D < - 0 0 4 -5,-1.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.519 59.5-100.1 -83.3 143.4 32.5 24.2 37.2 214 214 A P - 0 0 10 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.341 27.3-173.0 -62.8 146.2 29.9 25.4 34.8 215 215 A D S S+ 0 0 14 1,-0.2 2,-0.3 -7,-0.1 3,-0.0 0.095 73.9 44.5-121.3 17.6 26.2 24.9 35.4 216 216 A H S > S- 0 0 38 98,-0.1 3,-2.3 1,-0.1 98,-0.2 -0.956 82.1-120.1-159.0 144.8 25.0 26.2 32.0 217 217 A Y G > S+ 0 0 60 96,-3.2 3,-1.8 -2,-0.3 97,-0.1 0.790 110.3 66.1 -58.5 -30.7 26.2 25.6 28.5 218 218 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.670 102.0 50.1 -65.2 -15.4 26.9 29.4 28.1 219 219 A K G < S+ 0 0 125 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.151 83.6 138.4-104.7 10.4 29.6 29.0 30.7 220 220 A R < - 0 0 102 -3,-1.8 2,-0.4 1,-0.1 9,-0.1 -0.251 57.4-116.7 -59.7 145.9 31.3 26.0 29.0 221 221 A Y - 0 0 63 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.721 29.1-178.1 -82.7 131.7 35.1 25.8 28.8 222 222 A T + 0 0 121 -2,-0.4 -1,-0.1 -63,-0.0 -2,-0.0 0.361 46.9 95.5-115.9 3.8 36.3 25.9 25.2 223 223 A G S S- 0 0 28 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.035 80.7-103.8 -87.5-165.3 40.1 25.6 25.7 224 224 A T S >> S+ 0 0 131 4,-0.1 4,-0.7 3,-0.1 3,-0.5 0.547 76.8 109.8-103.4 -10.4 42.6 22.6 25.6 225 225 A Q H >> S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 3,-0.8 -0.247 81.9 19.3 -62.8 155.6 43.3 22.0 29.3 226 226 A D H 3> S- 0 0 52 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.888 137.4 -58.6 56.6 42.2 41.9 18.8 30.8 227 227 A N H <4 S- 0 0 90 -3,-0.5 -68,-2.4 1,-0.2 -1,-0.3 0.873 113.5 -39.5 53.6 40.2 41.3 17.1 27.5 228 228 A G H << S- 0 0 6 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.853 115.2 -53.5 76.0 35.5 39.1 20.0 26.5 229 229 A G H >X>S+ 0 0 0 -4,-2.4 4,-2.9 3,-0.1 3,-1.3 0.754 78.1 157.6 77.9 33.7 37.4 20.3 29.8 230 230 A V T 3<5S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.3 -63,-0.2 0.826 82.1 36.3 -64.8 -33.5 36.2 16.8 30.5 231 231 A H T 345S+ 0 0 26 -5,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.437 122.5 48.4 -92.7 -0.7 36.0 17.3 34.3 232 232 A I T X45S+ 0 0 13 -3,-1.3 3,-2.0 -6,-0.2 4,-0.2 0.845 112.7 40.6-100.0 -61.5 34.9 20.9 33.9 233 233 A N T >X5S+ 0 0 8 -4,-2.9 3,-1.4 1,-0.3 4,-0.8 0.646 95.6 82.0 -69.9 -12.4 32.1 20.7 31.4 234 234 A S H 3> S+ 0 0 0 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.829 89.6 57.0 -60.9 -30.6 29.2 20.1 35.5 236 236 A I H <> S+ 0 0 0 -3,-1.4 4,-1.6 -4,-0.2 -1,-0.2 0.925 114.0 38.1 -67.9 -42.8 26.6 21.0 32.9 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.2 -2,-0.2 0.896 113.4 55.3 -73.5 -41.6 25.5 17.4 32.5 238 238 A N H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.909 109.4 48.7 -57.7 -40.0 25.8 16.7 36.2 239 239 A K H X S+ 0 0 23 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.921 109.6 51.3 -68.0 -42.3 23.5 19.6 36.9 240 240 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.923 112.3 47.1 -58.6 -46.1 21.0 18.4 34.3 241 241 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.932 110.9 51.4 -61.7 -43.5 21.0 14.9 35.9 242 242 A Y H X S+ 0 0 52 -4,-2.7 4,-3.3 -37,-0.2 5,-0.5 0.923 111.9 47.6 -57.4 -44.8 20.6 16.4 39.4 243 243 A L H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.900 108.0 54.4 -66.7 -41.1 17.6 18.5 38.2 244 244 A I H < S+ 0 0 0 -4,-2.5 14,-2.7 -5,-0.2 15,-0.4 0.942 119.7 33.8 -56.4 -45.1 15.9 15.5 36.5 245 245 A S H < S+ 0 0 4 -4,-2.2 14,-2.4 12,-0.2 -2,-0.2 0.961 134.3 21.7 -73.5 -54.7 16.1 13.6 39.8 246 246 A Q H < S- 0 0 90 -4,-3.3 11,-0.3 -5,-0.2 -3,-0.2 0.636 94.7-140.5 -97.5 -19.9 15.6 16.2 42.4 247 247 A G < + 0 0 14 -4,-2.0 2,-0.2 -5,-0.5 9,-0.2 0.026 31.8 149.6 76.5 172.2 13.9 19.1 40.6 248 248 A G E -L 255 0E 32 7,-2.1 7,-3.0 -5,-0.1 2,-0.5 -0.768 48.4 -88.4 151.0 173.9 14.4 22.8 41.0 249 249 A T E -L 254 0E 94 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.959 43.0-180.0-114.4 123.5 14.4 26.1 39.2 250 250 A H E > -L 253 0E 17 3,-2.4 3,-2.0 -2,-0.5 -2,-0.0 -0.993 69.1 -13.5-134.4 123.2 17.7 27.0 37.5 251 251 A Y T 3 S- 0 0 113 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.843 131.7 -53.1 47.6 40.9 18.3 30.2 35.6 252 252 A G T 3 S+ 0 0 66 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.391 113.4 119.0 84.5 -2.5 14.5 30.7 35.7 253 253 A V E < -L 250 0E 40 -3,-2.0 -3,-2.4 59,-0.1 2,-0.4 -0.840 54.8-143.9-104.5 120.3 13.6 27.3 34.2 254 254 A S E -L 249 0E 66 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.3 -0.711 13.3-167.9 -89.8 132.2 11.6 25.0 36.5 255 255 A V E -L 248 0E 9 -7,-3.0 -7,-2.1 -2,-0.4 2,-0.6 -0.975 15.6-141.9-120.4 125.4 12.2 21.2 36.5 256 256 A V - 0 0 85 -2,-0.5 -9,-0.2 -9,-0.2 2,-0.1 -0.763 28.9-129.4 -83.8 117.4 9.8 18.7 38.1 257 257 A G - 0 0 31 -2,-0.6 -12,-0.2 -11,-0.3 -11,-0.2 -0.459 23.4-172.5 -73.4 146.3 11.9 16.0 39.7 258 258 A I - 0 0 28 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.380 45.9-109.1-117.5 1.0 11.2 12.4 38.9 259 259 A G > - 0 0 25 -14,-2.4 4,-1.9 -15,-0.4 -1,-0.2 0.068 30.2 -74.8 89.1 162.3 13.6 10.8 41.4 260 260 A R H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.815 120.3 56.7 -65.0 -39.0 16.9 8.9 41.3 261 261 A D H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 111.2 43.3 -66.8 -42.9 15.6 5.5 40.2 262 262 A K H > S+ 0 0 75 -4,-0.4 4,-2.8 2,-0.2 5,-0.3 0.890 111.2 56.0 -68.7 -39.8 14.1 7.0 37.0 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.966 110.3 46.2 -52.0 -50.8 17.2 9.1 36.4 264 264 A G H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.911 111.9 49.6 -59.6 -42.0 19.2 5.9 36.5 265 265 A K H X S+ 0 0 98 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.921 113.9 45.9 -63.5 -46.8 16.9 4.1 34.2 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.943 117.5 41.7 -63.6 -46.7 16.9 6.9 31.6 267 267 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.861 112.3 53.8 -74.7 -30.8 20.6 7.4 31.7 268 268 A Y H X S+ 0 0 32 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.926 112.5 45.3 -66.9 -44.8 21.5 3.7 31.7 269 269 A R H X>S+ 0 0 71 -4,-2.1 4,-2.3 -5,-0.2 5,-0.6 0.902 113.2 50.1 -62.3 -43.6 19.3 3.2 28.6 270 270 A A H X>S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 5,-1.5 0.951 113.4 46.5 -58.3 -47.1 20.8 6.3 26.9 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.3 1,-0.2 -2,-0.2 0.878 120.1 37.5 -61.5 -42.1 24.3 5.1 27.7 272 272 A T H <5S+ 0 0 42 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.667 131.3 21.0 -95.7 -13.3 23.7 1.5 26.5 273 273 A Q H <5S+ 0 0 98 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.665 128.4 27.6-122.5 -20.8 21.4 2.0 23.5 274 274 A Y T < - 0 0 67 -2,-0.3 3,-1.5 -122,-0.1 -120,-0.1 -0.750 42.5 -87.2-133.5 175.5 28.1 6.6 20.5 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.8 0, 0.0 -123,-0.1 0.810 125.9 38.5 -63.4 -25.5 31.8 7.4 20.7 278 278 A T T 3 S+ 0 0 95 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.267 80.0 143.5-109.6 13.5 31.4 10.9 19.3 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.248 32.4-157.8 -58.1 135.0 28.1 12.0 21.0 280 280 A N > - 0 0 60 -120,-0.1 4,-2.3 -119,-0.1 5,-0.2 -0.436 37.1 -87.7-101.6-179.4 27.9 15.7 22.0 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.906 127.3 51.2 -59.8 -41.5 25.7 17.4 24.5 282 282 A S H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 111.0 49.2 -60.5 -40.8 22.9 17.9 22.1 283 283 A Q H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.857 107.3 55.0 -70.5 -34.1 23.0 14.3 21.1 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.937 106.4 51.8 -60.0 -44.3 22.9 13.3 24.8 285 285 A R H X S+ 0 0 34 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.942 111.4 46.9 -54.6 -49.7 19.7 15.3 25.2 286 286 A A H X S+ 0 0 61 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.889 111.6 50.6 -59.3 -42.6 18.2 13.5 22.3 287 287 A A H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.899 112.2 47.1 -62.1 -43.6 19.4 10.1 23.7 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.898 112.1 50.0 -66.3 -39.5 17.8 10.9 27.1 289 289 A V H X S+ 0 0 26 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.934 113.7 45.6 -64.5 -47.7 14.6 12.1 25.5 290 290 A Q H X S+ 0 0 87 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.898 112.9 50.4 -63.4 -39.7 14.4 8.9 23.4 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.936 112.2 46.4 -60.7 -47.9 15.2 6.7 26.4 292 292 A A H X>S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.5 0.870 112.2 52.1 -63.9 -35.1 12.6 8.4 28.6 293 293 A T H X5S+ 0 0 34 -4,-2.3 4,-2.1 3,-0.2 -2,-0.2 0.945 108.6 50.8 -66.9 -45.3 10.1 8.1 25.6 294 294 A D H <5S+ 0 0 65 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 120.1 35.5 -53.3 -45.7 10.9 4.3 25.3 295 295 A L H <5S+ 0 0 68 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.818 137.5 11.4 -80.2 -35.0 10.3 3.8 29.1 296 296 A Y H <5S- 0 0 64 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.525 105.0 -98.0-128.5 -15.1 7.4 6.2 29.8 297 297 A G ><< - 0 0 30 -4,-2.1 3,-1.7 -5,-0.5 6,-0.4 0.062 34.5 -88.0 98.4 148.3 5.9 7.6 26.6 298 298 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.755 125.5 46.8 -64.6 -25.5 6.4 10.8 24.6 299 299 A T T 3 S+ 0 0 142 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.311 90.5 122.6 -97.4 8.3 3.7 12.7 26.6 300 300 A S S <> S- 0 0 15 -3,-1.7 4,-2.1 1,-0.1 5,-0.1 -0.223 73.5-120.8 -70.4 159.1 5.0 11.6 30.0 301 301 A Q H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.863 113.3 60.6 -58.3 -39.1 6.1 13.7 32.9 302 302 A E H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 106.6 43.7 -58.1 -47.7 9.5 11.9 32.6 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.4 -11,-0.2 -1,-0.2 0.928 113.4 52.9 -61.7 -44.6 10.1 13.1 29.1 304 304 A A H X S+ 0 0 44 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 110.5 47.4 -59.4 -41.0 8.9 16.6 30.0 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.872 108.1 53.8 -70.6 -37.2 11.3 16.8 32.9 306 306 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.950 111.7 47.3 -59.6 -47.0 14.3 15.6 30.8 307 307 A K H X S+ 0 0 90 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.919 112.0 48.2 -60.6 -44.0 13.5 18.4 28.4 308 308 A Q H X S+ 0 0 76 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.904 109.5 53.6 -64.2 -39.9 13.2 21.1 31.1 309 309 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.933 112.3 43.3 -63.2 -45.5 16.5 19.9 32.7 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.2 4,-0.3 0.923 113.4 52.4 -67.9 -37.4 18.4 20.3 29.5 311 311 A D H ><5S+ 0 0 48 -4,-2.6 3,-1.6 -5,-0.2 -2,-0.2 0.917 105.8 55.9 -55.1 -44.3 16.6 23.6 28.8 312 312 A A H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.9 43.1 -63.2 -31.6 17.7 24.8 32.3 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-3.2 -3,-0.3 -1,-0.3 0.307 118.1-109.6 -97.2 8.7 21.4 24.1 31.5 314 314 A G T < 5S+ 0 0 16 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.2 0.706 71.4 137.5 78.4 19.2 21.2 25.6 28.0 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.899 360.0 360.0-105.6 115.6 21.6 22.4 26.0 316 316 A K 0 0 155 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.639 360.0 360.0 -99.4 360.0 19.2 22.2 23.0 317 ! 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 0.0 318 406 A X 0 0 38 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 360.0 38.9 10.6 39.1 319 ! 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 0.0 320 407 A X 0 0 154 0, 0.0 -107,-0.1 0, 0.0 -88,-0.0 0.000 360.0 360.0 360.0 360.0 38.1 22.1 38.8 321 ! 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 0.0 322 408 A X 0 0 220 0, 0.0 -110,-0.1 0, 0.0 -109,-0.0 0.000 360.0 360.0 360.0 360.0 39.4 26.8 41.4