==== 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/HYDROLASE INHIBITOR 25-JAN-11 3QH1 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR G.BIRRANE,B.BHYRAVBHATLA,M.NAVIA . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.0 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.4 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 88 0, 0.0 2,-0.4 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 160.0 -38.0 -28.5 -0.5 2 2 A T + 0 0 133 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.712 360.0 100.8 -80.9 127.4 -40.2 -25.5 0.4 3 3 A G - 0 0 44 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.940 69.1 -62.2-177.3-162.4 -39.9 -24.3 4.0 4 4 A T E -A 24 0A 91 20,-2.0 20,-2.9 -2,-0.3 2,-0.2 -0.900 48.8-109.5-113.6 140.4 -38.3 -21.8 6.3 5 5 A S E +A 23 0A 70 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.493 45.2 172.0 -70.5 132.3 -34.6 -21.3 6.8 6 6 A T E -A 22 0A 31 16,-2.7 16,-2.4 -2,-0.2 2,-0.5 -0.764 30.5-124.4-132.9 171.2 -33.4 -22.4 10.2 7 7 A V E -A 21 0A 88 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.975 28.3-176.7-129.2 112.6 -30.1 -22.9 12.1 8 8 A G E -A 20 0A 2 12,-3.0 12,-2.2 -2,-0.5 2,-0.4 -0.461 14.6-137.7 -97.1 175.4 -29.4 -26.3 13.6 9 9 A V E +Ab 19 61A 33 51,-1.8 53,-3.0 10,-0.3 2,-0.3 -0.994 31.1 143.1-136.4 145.1 -26.5 -27.4 15.7 10 10 A G E -Ab 18 62A 0 8,-2.5 8,-2.7 -2,-0.4 2,-0.4 -0.922 42.0 -97.2-160.1-172.5 -24.5 -30.6 15.7 11 11 A R E -A 17 0A 105 51,-2.2 60,-0.3 -2,-0.3 6,-0.2 -0.967 31.8-141.5-125.0 135.3 -21.2 -32.4 16.0 12 12 A G > - 0 0 5 4,-2.4 3,-2.0 -2,-0.4 56,-0.2 -0.159 39.7 -81.2 -84.2-177.5 -19.0 -33.4 13.1 13 13 A V T 3 S+ 0 0 30 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.825 129.8 48.8 -55.8 -38.1 -16.8 -36.5 12.5 14 14 A L T 3 S- 0 0 92 54,-0.1 -1,-0.3 121,-0.1 121,-0.0 0.411 122.3-103.4 -88.6 7.5 -14.0 -35.2 14.7 15 15 A G S < S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.507 73.3 141.7 85.9 11.8 -16.4 -34.3 17.6 16 16 A D - 0 0 52 1,-0.0 -4,-2.4 -5,-0.0 2,-0.3 -0.619 48.1-127.7 -89.5 139.4 -16.4 -30.6 17.0 17 17 A Q E +A 11 0A 130 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.649 36.3 162.4 -87.4 139.2 -19.7 -28.6 17.5 18 18 A K E -A 10 0A 16 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.3 -0.991 36.8-114.7-151.8 155.8 -20.9 -26.4 14.7 19 19 A N E -A 9 0A 104 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.698 31.8-164.2 -85.9 146.3 -24.1 -24.6 13.5 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-3.0 -2,-0.3 2,-0.5 -0.980 22.9-115.9-135.4 142.4 -25.6 -25.7 10.2 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.700 44.7 170.7 -77.8 122.4 -28.1 -24.0 8.0 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.7 -2,-0.5 2,-0.4 -0.657 29.1-127.4-125.8 176.5 -31.3 -26.1 7.7 23 23 A T E -AC 5 29A 0 6,-2.1 6,-3.1 -18,-0.2 2,-0.5 -0.999 18.0-144.9-130.2 129.6 -34.8 -25.9 6.4 24 24 A Y E +AC 4 28A 97 -20,-2.9 -20,-2.0 -2,-0.4 4,-0.2 -0.859 39.3 137.3-101.7 125.7 -38.0 -26.6 8.4 25 25 A S S S- 0 0 49 2,-2.9 2,-2.4 -2,-0.5 -2,-0.0 -0.625 95.7 -47.6-160.3 90.5 -41.1 -28.2 6.9 26 26 A T S S+ 0 0 112 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.414 140.2 38.2 70.9 -59.5 -42.4 -30.7 9.3 27 27 A Y S S- 0 0 113 -2,-2.4 -2,-2.9 -4,-0.1 2,-0.6 -0.634 93.7-110.3 -99.8 166.7 -38.9 -32.0 9.7 28 28 A Y E -CD 24 57A 59 29,-2.9 29,-2.2 -4,-0.2 2,-0.3 -0.907 41.0-161.6 -95.0 122.5 -35.6 -30.1 9.8 29 29 A Y E -CD 23 56A 47 -6,-3.1 2,-2.1 -2,-0.6 -6,-2.1 -0.825 29.0-114.0-108.2 152.4 -33.8 -30.9 6.6 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.4 11,-0.3 2,-0.4 -0.542 72.1 127.7 -80.6 77.8 -30.1 -30.4 5.6 31 31 A Q E -E 40 0B 9 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.959 45.2-159.3-140.3 110.2 -30.9 -27.8 3.1 32 32 A D E > +E 39 0B 2 7,-2.7 7,-1.5 -2,-0.4 3,-0.5 -0.897 11.2 179.7 -96.3 108.2 -29.0 -24.5 3.3 33 33 A N T 3 + 0 0 56 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.424 67.0 81.3 -85.9 -0.1 -30.9 -21.7 1.6 34 34 A T T 3 S+ 0 0 87 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.538 86.0 60.6 -85.4 -10.9 -28.3 -19.0 2.4 35 35 A R S X S- 0 0 46 -3,-0.5 3,-2.2 4,-0.1 -1,-0.1 -0.959 111.0 -60.3-125.9 113.2 -25.9 -20.0 -0.4 36 36 A G T 3 S- 0 0 30 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.213 111.7 -22.5 61.0-137.2 -26.8 -19.8 -4.1 37 37 A N T 3 S- 0 0 110 60,-1.4 -1,-0.3 1,-0.3 62,-0.2 0.142 119.4 -76.8 -97.5 22.7 -29.6 -22.1 -5.1 38 38 A G < - 0 0 2 -3,-2.2 62,-2.3 60,-0.1 2,-0.4 -0.019 29.7-111.4 107.3 156.1 -29.0 -24.2 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.7 60,-0.2 2,-0.4 -0.996 36.1-170.0-119.4 127.7 -26.7 -26.8 -0.5 40 40 A F E -Ef 31 101B 20 60,-3.0 62,-2.1 -2,-0.4 2,-0.4 -0.978 8.0-163.1-127.7 129.4 -28.5 -30.1 -0.0 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.7 -2,-0.4 -11,-0.3 -0.955 11.4-165.0-121.1 135.0 -27.2 -33.1 1.9 42 42 A Y E -Gf 54 103B 26 60,-2.9 62,-2.3 -2,-0.4 2,-0.6 -0.798 20.8-125.7-121.1 152.5 -28.7 -36.7 1.5 43 43 A D E -Gf 53 104B 26 10,-3.0 10,-2.1 -2,-0.3 62,-0.2 -0.894 15.1-173.8 -96.5 115.3 -28.6 -40.0 3.3 44 44 A A > - 0 0 4 60,-2.8 3,-2.3 -2,-0.6 5,-0.3 0.542 29.7-142.9 -84.1 -7.1 -27.5 -42.9 1.1 45 45 A K T 3 - 0 0 102 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.802 62.4 -58.0 57.6 33.3 -28.3 -45.3 4.0 46 46 A Y T 3 S+ 0 0 109 59,-2.4 -1,-0.3 1,-0.3 60,-0.2 0.455 115.3 110.0 74.7 6.9 -25.3 -47.6 3.3 47 47 A R S < S- 0 0 177 -3,-2.3 60,-2.3 58,-0.2 -1,-0.3 -0.383 72.4-127.7-102.8-179.1 -26.5 -48.3 -0.2 48 48 A T S S+ 0 0 82 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.345 71.5 111.5-114.7 3.2 -25.1 -47.2 -3.6 49 49 A T S S- 0 0 101 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.653 70.9-103.4 -74.5 130.9 -28.3 -45.7 -5.0 50 50 A L S S- 0 0 50 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.920 80.8 -1.7-121.8 145.7 -27.9 -41.9 -5.4 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.988 78.5-167.8 -84.3 -12.9 -28.7 -39.5 -4.0 52 52 A G - 0 0 32 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.738 48.6 -25.0 92.6-153.6 -30.8 -41.2 -1.4 53 53 A S E -G 43 0B 51 -10,-2.1 -10,-3.0 -2,-0.3 -8,-0.1 -0.826 66.3-104.8-105.3 136.5 -33.1 -39.2 0.8 54 54 A L E -G 42 0B 32 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.328 56.2 -96.3 -55.9 132.2 -32.8 -35.5 1.7 55 55 A W - 0 0 10 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.369 48.7-170.9 -66.6 121.8 -31.5 -35.6 5.2 56 56 A A E -D 29 0A 46 -2,-0.2 2,-0.3 -27,-0.2 -27,-0.2 -0.902 8.1-179.7-117.7 137.5 -34.4 -35.2 7.7 57 57 A D E -D 28 0A 22 -29,-2.2 -29,-2.9 -2,-0.4 3,-0.1 -1.000 24.8-142.1-139.0 136.8 -34.1 -34.7 11.4 58 58 A A S S+ 0 0 77 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.780 95.0 21.5 -68.6 -33.4 -36.9 -34.3 14.0 59 59 A D S S- 0 0 89 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.421 95.4-113.3-126.8 6.2 -35.4 -31.7 16.3 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.8 -32,-0.2 2,-0.4 0.618 81.7 117.1 67.3 19.3 -32.7 -29.7 14.4 61 61 A Q E -b 9 0A 108 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.969 44.5-170.8-118.5 126.2 -30.0 -31.2 16.8 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-2.2 -2,-0.4 9,-0.1 -0.520 40.7 121.8-122.5 63.5 -27.4 -33.3 15.0 63 63 A F + 0 0 57 -2,-0.3 2,-0.2 -53,-0.3 -1,-0.1 0.351 38.8 109.6-106.9 1.3 -25.4 -35.0 17.8 64 64 A A S >> S- 0 0 50 -3,-0.2 4,-0.9 1,-0.1 3,-0.8 -0.477 76.6-120.5 -75.7 151.5 -25.9 -38.7 17.0 65 65 A S G >4 S+ 0 0 117 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.916 115.7 57.3 -57.4 -39.5 -22.9 -40.6 15.6 66 66 A Y G 34 S+ 0 0 66 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.797 105.3 53.2 -62.1 -28.9 -24.9 -41.4 12.5 67 67 A D G X> S+ 0 0 18 -3,-0.8 4,-2.4 1,-0.2 3,-0.7 0.718 85.8 84.6 -74.0 -27.7 -25.4 -37.6 11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.856 113.5 49.5 -63.9 -31.4 -20.8 -37.3 8.4 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.901 107.9 53.8 -70.7 -45.1 -23.8 -35.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -60,-0.3 5,-0.2 0.932 114.0 41.6 -51.5 -51.2 -23.0 -32.4 9.5 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.881 112.9 51.4 -71.4 -42.8 -19.5 -32.1 8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.941 115.9 43.6 -55.7 -42.7 -20.5 -32.7 4.4 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.951 117.8 43.0 -70.2 -50.0 -23.1 -30.0 4.7 75 75 A Y H X S+ 0 0 84 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.916 115.1 47.7 -65.4 -47.7 -21.0 -27.5 6.6 76 76 A Y H X S+ 0 0 21 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.829 106.0 58.2 -71.3 -28.4 -17.8 -27.9 4.6 77 77 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.917 108.3 49.0 -59.9 -39.9 -19.8 -27.6 1.3 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.918 109.8 49.5 -63.0 -44.9 -20.8 -24.2 2.7 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.918 111.9 48.9 -60.8 -42.1 -17.3 -23.3 3.6 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.905 109.6 51.5 -66.0 -43.1 -16.1 -24.3 0.0 81 81 A Y H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 11,-0.3 0.930 110.5 50.5 -56.1 -44.6 -19.0 -22.2 -1.6 82 82 A D H X S+ 0 0 38 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.885 107.9 52.3 -63.5 -41.2 -17.8 -19.3 0.5 83 83 A Y H X>S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 5,-0.8 0.959 112.3 44.3 -59.2 -54.2 -14.2 -19.6 -0.6 84 84 A Y H X5S+ 0 0 4 -4,-2.4 6,-2.3 3,-0.2 4,-1.2 0.924 119.7 42.1 -63.1 -38.9 -15.1 -19.6 -4.2 85 85 A K H X5S+ 0 0 88 -4,-2.5 4,-1.1 4,-0.3 -2,-0.2 0.958 122.4 36.5 -69.6 -51.9 -17.5 -16.7 -3.9 86 86 A N H <5S+ 0 0 92 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.842 128.2 32.9 -72.2 -38.6 -15.5 -14.5 -1.5 87 87 A V H <5S+ 0 0 35 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.873 135.7 19.1 -91.2 -39.6 -12.0 -15.2 -2.9 88 88 A H H < - 0 0 59 -2,-0.5 6,-2.6 4,-0.3 4,-0.6 -0.772 63.4 -47.2 -94.9 102.1 -21.0 -18.5 -7.7 92 92 A S T >4 S- 0 0 4 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.034 92.0 -54.1 56.0-172.5 -21.0 -22.2 -7.0 93 93 A Y T 34 S+ 0 0 19 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.831 138.9 42.4 -72.7 -27.0 -19.3 -24.8 -9.2 94 94 A D T 34 S- 0 0 48 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.467 108.9-117.3 -94.5 0.9 -20.9 -23.7 -12.5 95 95 A G S << S+ 0 0 34 -3,-0.7 -4,-0.3 -4,-0.6 -3,-0.2 0.426 102.2 80.4 74.4 3.0 -20.6 -20.0 -11.9 96 96 A N S S- 0 0 123 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.071 113.8 -94.7-132.0 36.1 -24.4 -19.6 -11.9 97 97 A N - 0 0 33 -6,-2.6 -60,-1.4 1,-0.2 -5,-0.2 0.756 53.1-171.6 58.4 36.1 -25.2 -20.8 -8.4 98 98 A A - 0 0 18 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.218 35.5 -98.0 -50.0 140.1 -26.0 -24.5 -9.2 99 99 A A - 0 0 16 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.341 36.2-133.8 -59.0 138.7 -27.4 -26.3 -6.2 100 100 A I E -f 39 0B 1 -62,-2.3 -60,-3.0 -3,-0.1 2,-0.4 -0.882 24.4-170.1-103.5 121.6 -24.7 -28.3 -4.4 101 101 A R E +f 40 0B 90 -2,-0.6 19,-2.6 17,-0.3 2,-0.3 -0.944 8.1 175.4-117.7 135.5 -25.7 -31.9 -3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.9 -2,-0.4 2,-0.4 -0.993 13.2-157.6-135.4 142.6 -23.8 -34.4 -1.3 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.2 -2,-0.3 2,-0.2 -0.966 11.0-168.9-119.8 136.2 -24.7 -37.9 -0.1 104 104 A V E +f 43 0B 1 -62,-2.3 -60,-2.8 -2,-0.4 -59,-0.4 -0.679 64.3 44.9-115.2 171.3 -23.2 -39.5 3.0 105 105 A H E S+ 0 0 7 17,-0.3 -59,-2.4 -2,-0.2 2,-0.4 0.863 74.3 176.7 58.4 39.8 -23.2 -43.0 4.3 106 106 A Y E - h 0 123B 32 16,-2.0 18,-0.6 -3,-0.2 4,-0.4 -0.604 49.9 -35.2 -76.1 125.1 -22.5 -44.3 0.7 107 107 A S S S- 0 0 30 -60,-2.3 2,-0.4 -2,-0.4 -61,-0.1 -0.082 90.2 -62.7 60.6-163.2 -22.0 -48.1 0.7 108 108 A Q S S- 0 0 156 1,-0.1 3,-0.2 15,-0.1 18,-0.1 -0.992 109.3 -7.8-122.6 131.4 -20.4 -50.1 3.5 109 109 A G S S+ 0 0 43 -2,-0.4 2,-0.6 16,-0.4 17,-0.3 0.785 85.2 173.8 62.6 28.9 -16.9 -49.7 4.6 110 110 A Y - 0 0 66 -4,-0.4 15,-2.0 15,-0.4 2,-1.2 -0.601 22.9-166.7 -88.6 115.9 -16.2 -47.4 1.7 111 111 A N + 0 0 49 -2,-0.6 2,-0.3 -3,-0.2 -1,-0.1 -0.435 60.4 71.3 -96.5 51.3 -12.8 -45.9 1.8 112 112 A N - 0 0 21 -2,-1.2 11,-2.5 2,-0.0 2,-0.3 -0.985 53.9-158.3-158.9 160.8 -13.5 -43.3 -0.9 113 113 A A E +I 122 0B 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.938 24.7 171.2-138.1 157.1 -15.3 -40.0 -1.8 114 114 A F E -I 121 0B 29 7,-2.2 7,-2.4 -2,-0.3 2,-0.5 -0.989 38.8-122.3-161.9 164.2 -16.1 -38.8 -5.3 115 115 A W E -I 120 0B 29 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.979 24.3-164.5-108.7 120.5 -17.8 -36.4 -7.7 116 116 A N - 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0 0 21 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.720 61.4-100.0 -95.4 146.7 4.4 -39.8 -5.5 214 214 A P - 0 0 9 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.306 25.9-173.2 -67.1 144.8 6.8 -38.1 -7.9 215 215 A D S S+ 0 0 14 1,-0.1 2,-0.3 -7,-0.1 3,-0.0 0.107 73.6 46.5-120.6 17.6 8.2 -34.7 -7.2 216 216 A H S > S- 0 0 38 98,-0.1 3,-2.1 1,-0.1 98,-0.2 -0.970 81.4-120.9-161.0 140.5 9.9 -34.2 -10.6 217 217 A Y G > S+ 0 0 58 96,-3.1 3,-1.7 -2,-0.3 97,-0.1 0.806 111.0 65.1 -56.7 -30.2 8.8 -34.9 -14.2 218 218 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.708 101.7 50.7 -66.5 -16.2 11.7 -37.3 -14.6 219 219 A K G < S+ 0 0 123 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.164 82.7 139.2-103.5 11.8 10.0 -39.6 -12.0 220 220 A R < - 0 0 96 -3,-1.7 2,-0.4 1,-0.1 9,-0.1 -0.263 57.2-115.4 -62.5 145.3 6.6 -39.5 -13.7 221 221 A Y - 0 0 64 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.688 29.7-178.4 -79.7 130.7 4.5 -42.7 -13.9 222 222 A T + 0 0 123 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.302 45.8 96.8-114.2 2.4 4.0 -43.8 -17.4 223 223 A G S S- 0 0 25 2,-0.0 -2,-0.0 1,-0.0 0, 0.0 -0.023 80.4-105.1 -85.7-162.6 1.9 -47.0 -17.0 224 224 A T S >> S+ 0 0 133 4,-0.1 4,-0.8 3,-0.1 3,-0.5 0.606 76.4 111.7-107.9 -11.3 -1.8 -47.6 -17.2 225 225 A Q H >> S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 3,-0.8 -0.184 82.8 15.5 -56.3 148.1 -2.8 -48.0 -13.5 226 226 A D H 3> S- 0 0 55 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.874 137.6 -56.6 56.9 44.3 -5.0 -45.2 -12.0 227 227 A N H <4 S- 0 0 88 -3,-0.5 -68,-2.4 1,-0.2 -1,-0.3 0.886 114.9 -39.2 55.2 38.9 -6.0 -43.8 -15.4 228 228 A G H << S- 0 0 4 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.822 115.2 -54.7 75.7 35.4 -2.3 -43.3 -16.2 229 229 A G H >X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.1 3,-1.6 0.787 77.4 159.0 75.0 35.3 -1.4 -42.2 -12.8 230 230 A V T 3< S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.3 -63,-0.1 0.848 81.0 40.1 -61.2 -36.3 -3.7 -39.3 -12.1 231 231 A H T 34 S+ 0 0 22 -5,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.385 121.8 45.5 -87.6 0.3 -3.3 -39.5 -8.3 232 232 A I T X4 S+ 0 0 39 -3,-1.6 3,-2.0 -6,-0.2 4,-0.2 0.790 112.2 43.2-105.9 -60.9 0.4 -40.2 -8.7 233 233 A N T >X S+ 0 0 7 -4,-2.7 3,-1.5 1,-0.3 4,-0.8 0.657 94.6 81.7 -66.8 -12.4 1.7 -37.7 -11.2 234 234 A S H 3> S+ 0 0 0 -5,-0.5 4,-3.2 -4,-0.4 -1,-0.3 0.787 78.3 72.9 -58.1 -26.5 -0.4 -35.0 -9.5 235 235 A G H <> S+ 0 0 1 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.820 88.9 57.6 -56.8 -33.1 2.5 -34.9 -7.1 236 236 A I H <> S+ 0 0 0 -3,-1.5 4,-1.5 -4,-0.2 -1,-0.2 0.920 114.1 37.4 -65.5 -45.7 4.6 -33.1 -9.7 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.868 113.4 56.0 -74.0 -41.1 2.1 -30.3 -10.0 238 238 A N H X S+ 0 0 1 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.912 108.2 49.1 -56.0 -42.1 1.3 -30.2 -6.3 239 239 A K H X S+ 0 0 22 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.909 109.4 51.6 -65.4 -41.5 5.0 -29.7 -5.6 240 240 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.917 111.8 47.3 -59.1 -44.1 5.1 -26.8 -8.1 241 241 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.913 110.7 51.2 -64.4 -44.4 2.1 -25.2 -6.5 242 242 A Y H X S+ 0 0 51 -4,-2.6 4,-3.3 -37,-0.2 5,-0.4 0.919 112.0 48.1 -56.3 -45.0 3.6 -25.6 -3.0 243 243 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.909 107.6 54.0 -65.8 -41.1 6.9 -24.0 -4.2 244 244 A I H < S+ 0 0 0 -4,-2.3 14,-2.6 -5,-0.2 15,-0.4 0.946 119.8 34.8 -59.0 -44.0 5.1 -21.1 -5.9 245 245 A S H < S+ 0 0 3 -4,-2.3 14,-2.3 12,-0.2 -2,-0.2 0.952 134.5 20.4 -73.4 -51.1 3.3 -20.3 -2.6 246 246 A Q H < S- 0 0 92 -4,-3.3 11,-0.3 -5,-0.2 -3,-0.2 0.575 94.9-140.4-101.4 -15.9 5.9 -21.2 0.1 247 247 A G < + 0 0 11 -4,-2.2 2,-0.2 -5,-0.4 9,-0.2 0.050 31.4 152.7 72.9 177.0 9.2 -21.1 -1.8 248 248 A G E -L 255 0E 31 7,-2.2 7,-3.1 -5,-0.1 2,-0.5 -0.782 46.8 -90.9 148.3 169.3 12.1 -23.5 -1.5 249 249 A T E +L 254 0E 92 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.977 43.4 176.9-113.6 122.0 15.1 -25.0 -3.2 250 250 A H E > -L 253 0E 20 3,-2.4 3,-2.2 -2,-0.5 -2,-0.0 -0.992 69.2 -9.2-135.0 125.5 14.2 -28.3 -5.0 251 251 A Y T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.826 131.6 -56.5 47.9 40.0 16.6 -30.3 -7.0 252 252 A G T 3 S+ 0 0 66 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.397 112.5 120.6 79.6 -1.4 18.9 -27.3 -6.7 253 253 A V E < -L 250 0E 36 -3,-2.2 -3,-2.4 59,-0.1 2,-0.4 -0.860 54.3-144.0-100.9 122.1 16.4 -24.8 -8.2 254 254 A S E -L 249 0E 67 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.3 -0.680 14.2-169.7 -91.9 132.4 15.5 -21.9 -5.9 255 255 A V E -L 248 0E 8 -7,-3.1 -7,-2.2 -2,-0.4 2,-0.7 -0.969 16.8-141.3-122.6 129.0 12.0 -20.6 -5.9 256 256 A V - 0 0 87 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.788 29.8-127.6 -86.3 117.3 10.9 -17.3 -4.1 257 257 A G - 0 0 31 -2,-0.7 -12,-0.2 -11,-0.3 -11,-0.2 -0.333 23.1-171.7 -67.8 146.0 7.5 -17.9 -2.5 258 258 A I - 0 0 26 -14,-2.6 4,-0.4 1,-0.2 -13,-0.2 0.386 44.6-111.0-117.4 -2.8 4.7 -15.5 -3.2 259 259 A G > - 0 0 24 -14,-2.3 4,-2.0 -15,-0.4 -1,-0.2 0.053 30.4 -71.5 91.6 165.9 2.1 -16.9 -0.8 260 260 A R H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.755 120.5 54.6 -67.6 -36.6 -1.2 -18.7 -0.9 261 261 A D H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 112.2 43.9 -67.7 -44.4 -3.5 -15.9 -2.2 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.894 110.9 54.3 -70.7 -36.6 -1.4 -15.3 -5.2 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.954 110.9 47.4 -53.9 -52.0 -1.0 -19.0 -5.9 264 264 A G H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.917 111.7 49.6 -58.1 -43.1 -4.8 -19.3 -5.8 265 265 A K H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 113.2 46.5 -61.5 -45.6 -5.3 -16.3 -8.1 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.934 117.4 41.6 -62.3 -50.9 -2.8 -17.6 -10.7 267 267 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.858 113.0 53.3 -70.8 -34.4 -4.2 -21.1 -10.7 268 268 A Y H X S+ 0 0 32 -4,-2.6 4,-2.2 -5,-0.3 5,-0.2 0.939 112.3 45.1 -65.1 -44.6 -7.8 -20.0 -10.7 269 269 A R H X>S+ 0 0 70 -4,-2.2 4,-2.2 -5,-0.3 5,-0.6 0.917 113.5 50.2 -66.3 -40.8 -7.2 -17.8 -13.7 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-1.7 0.954 113.0 47.3 -56.9 -51.2 -5.3 -20.6 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.4 1,-0.2 -1,-0.2 0.869 120.3 36.0 -54.2 -46.8 -8.1 -23.1 -14.7 272 272 A T H <5S+ 0 0 45 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.657 130.9 23.8 -90.9 -16.8 -10.9 -20.8 -15.9 273 273 A Q H <5S+ 0 0 100 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.718 127.9 23.5-119.9 -31.5 -9.2 -19.0 -18.9 274 274 A Y T < - 0 0 61 -2,-0.1 3,-1.6 -122,-0.1 -120,-0.1 -0.762 41.6 -88.6-132.5 175.4 -8.5 -27.0 -22.0 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.8 0, 0.0 -123,-0.1 0.804 125.9 40.7 -60.4 -28.1 -9.6 -30.6 -21.8 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.257 80.5 142.5-105.1 11.2 -6.4 -31.9 -23.3 279 279 A S < - 0 0 4 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.1 -0.257 32.6-158.6 -56.9 135.7 -3.8 -29.7 -21.5 280 280 A N > - 0 0 62 -120,-0.1 4,-2.2 -119,-0.1 5,-0.2 -0.422 37.1 -88.9-103.6 179.0 -0.6 -31.3 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.894 126.9 52.1 -60.3 -42.0 2.0 -30.3 -18.0 282 282 A S H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 111.2 48.8 -58.3 -42.0 3.9 -28.0 -20.4 283 283 A Q H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.857 107.0 54.6 -67.9 -33.0 0.7 -26.3 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.916 106.7 52.4 -64.6 -43.4 -0.2 -25.9 -17.6 285 285 A R H X S+ 0 0 32 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.959 111.7 45.8 -56.1 -49.8 3.2 -24.1 -17.2 286 286 A A H X S+ 0 0 60 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.907 112.5 51.0 -60.2 -41.0 2.4 -21.8 -20.1 287 287 A A H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.900 112.5 46.4 -62.9 -44.4 -1.2 -21.2 -18.7 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.897 112.2 49.7 -66.3 -39.9 0.2 -20.3 -15.3 289 289 A V H X S+ 0 0 28 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.935 113.9 46.1 -65.0 -43.6 2.9 -18.0 -16.7 290 290 A Q H X S+ 0 0 86 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.928 112.5 50.8 -66.1 -39.7 0.3 -16.2 -18.8 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.928 111.9 46.1 -62.6 -46.4 -2.1 -16.0 -15.8 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.7 0.896 111.6 53.4 -65.8 -33.3 0.6 -14.5 -13.6 293 293 A T H X5S+ 0 0 41 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.933 108.9 48.6 -64.7 -45.0 1.6 -12.1 -16.4 294 294 A D H <5S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 120.1 37.5 -58.8 -41.1 -2.1 -10.9 -16.7 295 295 A L H <5S+ 0 0 65 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.827 136.0 11.7 -86.5 -33.9 -2.3 -10.3 -13.0 296 296 A Y H <5S- 0 0 62 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.530 106.4 -98.4-129.7 -12.9 1.1 -9.0 -12.0 297 297 A G ><< - 0 0 28 -4,-1.6 3,-1.9 -5,-0.7 6,-0.4 0.098 32.5 -86.7 102.8 147.1 3.0 -8.1 -15.1 298 298 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.778 125.7 46.0 -57.4 -31.3 5.7 -9.8 -17.3 299 299 A T T 3 S+ 0 0 137 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.329 90.6 124.1 -95.0 12.4 8.6 -8.5 -15.2 300 300 A S S <> S- 0 0 15 -3,-1.9 4,-1.9 1,-0.1 5,-0.1 -0.253 71.9-124.6 -76.5 158.9 7.0 -9.4 -11.8 301 301 A Q H > S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.855 112.0 61.5 -59.4 -36.1 8.3 -11.6 -9.1 302 302 A E H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 105.2 45.0 -63.1 -46.3 5.1 -13.6 -9.4 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.925 112.8 51.5 -60.9 -46.9 5.9 -14.6 -13.0 304 304 A A H X S+ 0 0 45 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.897 109.7 49.7 -57.9 -43.2 9.5 -15.3 -12.2 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.850 106.2 55.4 -65.0 -38.4 8.5 -17.6 -9.3 306 306 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.952 110.6 46.4 -58.0 -46.3 6.0 -19.5 -11.5 307 307 A K H X S+ 0 0 88 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.915 112.6 49.1 -63.8 -44.4 8.9 -20.3 -14.0 308 308 A Q H X S+ 0 0 73 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.891 109.4 52.4 -63.1 -40.4 11.3 -21.3 -11.2 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.922 112.4 43.9 -61.8 -46.4 8.7 -23.6 -9.6 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.4 0.917 113.4 52.5 -69.6 -35.8 8.0 -25.5 -12.9 311 311 A D H ><5S+ 0 0 40 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.925 104.9 56.8 -59.6 -42.7 11.8 -25.6 -13.6 312 312 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 110.8 42.7 -59.8 -34.9 12.3 -27.1 -10.2 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.1 -3,-0.4 -1,-0.3 0.312 119.2-108.9 -97.0 10.7 9.9 -30.0 -11.0 314 314 A G T < 5S+ 0 0 25 -3,-1.7 2,-0.6 -4,-0.3 -3,-0.2 0.705 70.7 139.7 76.5 23.0 11.3 -30.5 -14.5 315 315 A V < 0 0 4 -5,-2.5 -1,-0.2 1,-0.1 -2,-0.1 -0.901 360.0 360.0-105.7 112.8 8.4 -29.1 -16.5 316 316 A K 0 0 166 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.581 360.0 360.0-103.1 360.0 9.3 -26.9 -19.4 317 ! 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 0.0 318 999 A X 0 0 82 0, 0.0 -204,-0.2 0, 0.0 -206,-0.0 0.000 360.0 360.0 360.0 360.0 -10.9 -40.0 -5.6