==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUN-10 3NN7 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR J.BEHNEN,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.8 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 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 2 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 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 84 0, 0.0 2,-0.4 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 163.5 8.0 51.6 -0.4 2 2 A T + 0 0 134 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.771 360.0 117.8 -87.1 130.6 6.2 54.9 0.4 3 3 A G - 0 0 34 -2,-0.4 2,-0.5 22,-0.0 22,-0.2 -0.946 64.0 -64.3-173.1-171.5 6.5 55.9 4.1 4 4 A T E -A 24 0A 84 20,-2.6 20,-3.6 -2,-0.3 2,-0.3 -0.845 50.2-115.3-104.5 137.3 7.8 58.4 6.5 5 5 A S E +A 23 0A 75 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.520 47.4 164.7 -67.3 129.4 11.6 59.1 6.8 6 6 A T E -A 22 0A 42 16,-2.7 16,-2.5 -2,-0.3 2,-0.4 -0.788 34.3-120.8-136.3 178.7 12.9 58.1 10.1 7 7 A V E -A 21 0A 85 14,-0.3 14,-0.3 -2,-0.3 2,-0.1 -0.993 26.5-172.3-129.5 122.2 16.2 57.3 11.9 8 8 A G E -A 20 0A 2 12,-4.0 12,-2.0 -2,-0.4 2,-0.3 -0.422 9.9-142.3-101.8-177.9 17.0 54.0 13.5 9 9 A V E +Ab 19 61A 21 51,-1.7 53,-3.6 10,-0.3 2,-0.3 -0.996 33.6 123.5-144.0 146.3 19.9 52.8 15.7 10 10 A G E -Ab 18 62A 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.4 -0.948 48.0 -88.2-172.1-163.8 21.8 49.6 16.0 11 11 A R E -A 17 0A 107 51,-1.6 6,-0.3 -2,-0.3 60,-0.2 -0.964 30.1-126.7-132.8 155.7 25.3 48.3 15.8 12 12 A G > - 0 0 4 4,-2.9 3,-2.4 -2,-0.4 56,-0.2 -0.071 41.6 -81.8 -81.8 179.6 27.6 47.0 13.1 13 13 A V T 3 S+ 0 0 32 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.861 130.5 51.0 -51.3 -41.3 29.6 43.9 12.5 14 14 A L T 3 S- 0 0 84 121,-0.1 -1,-0.3 54,-0.1 3,-0.1 0.366 122.2-106.5 -87.6 10.6 32.4 45.3 14.7 15 15 A G S < S+ 0 0 46 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.566 72.6 142.5 80.6 8.6 29.9 46.0 17.5 16 16 A D - 0 0 56 1,-0.0 -4,-2.9 -5,-0.0 2,-0.3 -0.641 47.8-126.7 -84.3 144.7 29.9 49.8 16.9 17 17 A Q E +A 11 0A 129 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.3 -0.664 36.6 161.3 -89.2 139.6 26.7 51.7 17.4 18 18 A K E -A 10 0A 18 -8,-2.8 -8,-2.4 -2,-0.3 2,-0.3 -0.984 36.4-114.0-152.7 161.7 25.4 54.0 14.7 19 19 A N E -A 9 0A 97 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.748 30.9-163.9 -94.1 145.3 22.3 55.7 13.4 20 20 A I E -A 8 0A 2 -12,-2.0 -12,-4.0 -2,-0.3 2,-0.5 -0.986 23.3-115.9-133.3 144.7 20.7 54.7 10.2 21 21 A N E +A 7 0A 40 -2,-0.4 -14,-0.3 -14,-0.3 2,-0.2 -0.667 44.5 172.8 -74.6 117.2 18.2 56.3 7.9 22 22 A T E -A 6 0A 1 -16,-2.5 -16,-2.7 -2,-0.5 2,-0.4 -0.650 28.4-127.8-120.8 177.4 15.0 54.2 7.7 23 23 A T E -AC 5 29A 0 6,-2.0 6,-2.7 -18,-0.2 2,-0.6 -0.986 19.6-142.7-130.9 125.7 11.5 54.4 6.2 24 24 A Y E +AC 4 28A 90 -20,-3.6 -20,-2.6 -2,-0.4 4,-0.2 -0.785 40.6 136.7-101.2 123.2 8.4 53.8 8.3 25 25 A S S S- 0 0 51 2,-2.6 2,-2.7 -2,-0.6 -22,-0.0 -0.607 93.9 -51.6-155.3 86.2 5.3 52.1 6.9 26 26 A T S S+ 0 0 109 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.323 139.4 38.0 72.0 -57.9 4.0 49.6 9.4 27 27 A Y S S- 0 0 119 -2,-2.7 -2,-2.6 -4,-0.1 2,-0.6 -0.748 95.9-110.0-105.1 167.9 7.5 48.2 9.7 28 28 A Y E -CD 24 57A 51 29,-3.7 29,-2.5 -2,-0.3 2,-0.3 -0.891 37.4-156.7 -98.1 127.7 10.7 50.2 9.6 29 29 A Y E -CD 23 56A 49 -6,-2.7 2,-2.3 -2,-0.6 -6,-2.0 -0.764 26.1-117.3-105.6 147.3 12.6 49.6 6.4 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.4 11,-0.3 2,-0.4 -0.546 71.8 127.4 -79.7 74.8 16.3 49.9 5.6 31 31 A Q E -E 40 0B 10 -2,-2.3 2,-0.6 9,-0.2 9,-0.2 -0.961 45.5-158.6-138.0 117.0 15.5 52.6 3.0 32 32 A D E +E 39 0B 1 7,-2.2 7,-1.5 -2,-0.4 3,-0.5 -0.874 11.6 179.3-100.7 109.3 17.3 56.0 3.2 33 33 A N + 0 0 61 -2,-0.6 -1,-0.1 -11,-0.3 -28,-0.1 0.359 68.1 81.4 -90.3 3.7 15.5 58.7 1.4 34 34 A T S S+ 0 0 83 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.582 84.9 60.1 -90.1 -9.9 18.0 61.4 2.2 35 35 A R S > S- 0 0 46 -3,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.959 112.3 -62.9-125.2 116.2 20.5 60.5 -0.5 36 36 A G T 3 S- 0 0 29 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.064 111.0 -19.2 50.7-134.5 19.5 60.7 -4.2 37 37 A N T 3 S- 0 0 109 60,-1.4 -1,-0.3 1,-0.3 62,-0.2 0.260 119.8 -74.2 -93.6 21.3 16.8 58.3 -5.3 38 38 A G < - 0 0 2 -3,-2.0 62,-2.5 60,-0.1 2,-0.5 -0.062 30.2-113.4 115.5 151.8 17.4 56.2 -2.2 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.2 60,-0.2 2,-0.5 -0.994 36.3-170.1-119.6 122.8 19.6 53.6 -0.5 40 40 A F E -Ef 31 101B 23 60,-3.9 62,-2.3 -2,-0.5 2,-0.4 -0.957 8.8-168.4-125.3 126.5 18.0 50.2 -0.1 41 41 A T E - f 0 102B 0 -11,-2.4 14,-3.1 -2,-0.5 -11,-0.3 -0.911 10.7-169.6-120.0 140.5 19.2 47.2 1.8 42 42 A Y E -Gf 54 103B 27 60,-2.6 62,-2.3 -2,-0.4 2,-0.6 -0.849 24.1-121.7-127.4 158.6 17.8 43.6 1.6 43 43 A D E -Gf 53 104B 23 10,-2.7 10,-2.0 -2,-0.3 62,-0.2 -0.901 14.2-174.9-100.1 113.9 17.9 40.2 3.3 44 44 A A > - 0 0 4 60,-2.6 3,-2.5 -2,-0.6 5,-0.3 0.518 34.3-139.6 -87.7 -4.9 18.9 37.4 1.0 45 45 A K T 3 - 0 0 108 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.687 62.2 -57.7 61.2 30.3 18.1 35.1 3.9 46 46 A Y T 3 S+ 0 0 106 59,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.530 117.8 105.7 75.3 11.9 21.1 32.8 3.3 47 47 A R S < S- 0 0 179 -3,-2.5 60,-2.2 58,-0.3 -1,-0.3 -0.520 73.4-125.9-108.6-176.3 20.0 32.1 -0.3 48 48 A T + 0 0 75 58,-0.2 2,-0.5 -2,-0.2 -3,-0.1 0.275 69.6 112.4-118.9 12.1 21.3 33.4 -3.6 49 49 A T - 0 0 99 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.745 69.7-100.8 -84.6 134.2 18.2 34.8 -5.2 50 50 A L S S+ 0 0 56 -2,-0.5 -2,-0.1 1,-0.2 71,-0.0 -0.803 81.9 0.6-117.3 152.6 18.6 38.6 -5.4 51 51 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.980 80.5-169.0 -83.3 -5.8 17.9 41.0 -4.2 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.738 47.9 -21.1 95.5-155.4 15.8 39.2 -1.5 53 53 A S E -G 43 0B 48 -10,-2.0 -10,-2.7 -2,-0.3 -8,-0.1 -0.838 65.6-110.2 -99.7 128.7 13.5 41.1 0.8 54 54 A L E -G 42 0B 31 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.377 54.8 -97.4 -53.5 127.5 13.7 44.9 1.6 55 55 A W - 0 0 13 -14,-3.1 -25,-2.0 -25,-0.3 2,-0.4 -0.312 48.2-172.2 -64.8 125.1 14.9 44.8 5.2 56 56 A A E +D 29 0A 44 -27,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.936 8.3 179.3-119.9 137.2 12.0 45.3 7.6 57 57 A D E -D 28 0A 23 -29,-2.5 -29,-3.7 -2,-0.4 3,-0.1 -0.995 24.5-141.3-138.5 140.1 12.2 45.7 11.3 58 58 A A S S+ 0 0 70 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.783 95.5 21.8 -77.0 -26.7 9.4 46.2 13.8 59 59 A D S S- 0 0 91 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.312 97.0-114.6-129.2 9.8 10.8 48.8 16.2 60 60 A N S S+ 0 0 13 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.610 79.1 119.9 67.4 9.4 13.6 50.6 14.3 61 61 A Q E -b 9 0A 91 -53,-0.2 -2,-0.3 1,-0.0 2,-0.2 -0.930 42.5-170.7-108.7 132.9 16.2 49.2 16.6 62 62 A F E +b 10 0A 0 -53,-3.6 -51,-1.6 -2,-0.5 9,-0.1 -0.466 39.9 122.1-122.0 59.5 18.9 47.1 15.0 63 63 A F + 0 0 65 -53,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.310 40.6 110.7-107.2 6.4 21.1 45.4 17.7 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-0.8 1,-0.1 4,-0.8 -0.502 77.0-119.7 -75.8 155.8 20.6 41.8 16.9 65 65 A S G >4 S+ 0 0 117 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.886 117.2 55.4 -55.6 -42.2 23.5 39.8 15.5 66 66 A Y G 34 S+ 0 0 72 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.749 104.1 56.2 -64.1 -27.7 21.5 39.1 12.4 67 67 A D G <> S+ 0 0 16 -3,-0.8 4,-2.6 1,-0.2 3,-0.3 0.665 86.1 83.6 -71.7 -27.2 21.0 42.9 12.0 68 68 A A H S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.898 115.4 50.4 -59.8 -38.5 25.7 43.2 8.3 70 70 A A H > S+ 0 0 0 -4,-0.4 4,-2.6 -3,-0.3 5,-0.3 0.892 107.0 53.2 -61.0 -49.4 22.6 45.1 7.2 71 71 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 -60,-0.2 -1,-0.2 0.933 115.2 41.0 -52.4 -51.1 23.3 48.0 9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.865 111.9 52.6 -72.4 -40.4 26.8 48.4 8.0 73 73 A A H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.928 116.0 43.8 -59.4 -40.9 25.9 47.7 4.3 74 74 A H H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.944 117.4 44.0 -64.1 -52.0 23.3 50.5 4.7 75 75 A Y H X S+ 0 0 98 -4,-2.8 4,-1.7 -5,-0.3 -2,-0.2 0.889 114.5 45.9 -66.9 -42.0 25.5 52.9 6.6 76 76 A Y H X S+ 0 0 25 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.740 106.5 60.1 -80.7 -21.7 28.7 52.6 4.5 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.4 -1,-0.2 0.913 107.1 47.9 -61.1 -42.3 26.7 52.8 1.3 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.903 111.5 48.5 -67.6 -39.1 25.6 56.2 2.6 79 79 A V H X S+ 0 0 15 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.901 112.0 49.4 -64.6 -42.8 29.1 57.2 3.5 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.863 110.5 51.3 -63.4 -36.4 30.3 56.1 0.1 81 81 A Y H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.937 109.3 51.1 -62.9 -47.2 27.4 58.2 -1.4 82 82 A D H X S+ 0 0 40 -4,-2.9 4,-2.3 1,-0.2 5,-0.5 0.893 106.5 54.7 -62.6 -33.9 28.6 61.1 0.6 83 83 A Y H X>S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 5,-0.8 0.980 109.9 44.2 -63.9 -52.4 32.2 60.8 -0.7 84 84 A Y H X5S+ 0 0 5 -4,-1.8 6,-2.4 1,-0.2 4,-1.1 0.897 117.7 45.0 -61.7 -35.9 31.3 60.9 -4.4 85 85 A K H X5S+ 0 0 91 -4,-2.2 4,-0.8 4,-0.3 -1,-0.2 0.944 122.1 33.1 -73.4 -47.7 28.9 63.8 -4.0 86 86 A N H <5S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.908 129.2 35.0 -77.6 -37.2 30.9 66.0 -1.8 87 87 A V H <5S+ 0 0 55 -4,-2.6 -3,-0.2 -5,-0.5 -2,-0.2 0.864 135.9 17.0 -89.1 -34.9 34.3 65.2 -3.1 88 88 A H H < - 0 0 27 0, 0.0 3,-2.1 0, 0.0 -8,-0.2 -0.067 59.8-139.2 -47.0 121.2 30.2 39.6 7.1 133 133 A L G > S+ 0 0 6 -10,-1.5 3,-1.4 1,-0.3 6,-0.2 0.662 91.8 77.4 -67.6 -15.5 32.0 41.6 4.5 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 6,-0.2 0.677 76.9 79.5 -66.8 -15.4 29.8 44.6 4.9 135 135 A G G < S+ 0 0 0 -3,-2.1 2,-0.7 1,-0.1 -1,-0.3 0.702 79.5 76.1 -65.3 -21.1 31.8 45.4 8.1 136 136 A G <> - 0 0 0 -3,-1.4 4,-1.9 -4,-0.2 3,-0.5 -0.830 64.6-162.3 -95.6 112.9 34.7 46.9 6.0 137 137 A I H > S+ 0 0 10 -2,-0.7 4,-2.2 1,-0.3 5,-0.2 0.819 95.1 57.0 -66.5 -25.8 33.9 50.3 4.7 138 138 A D H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.835 106.7 50.9 -71.4 -28.1 36.8 49.8 2.2 139 139 A V H > S+ 0 0 11 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.877 111.0 46.6 -71.7 -39.4 34.9 46.7 1.0 140 140 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.936 114.6 45.7 -68.6 -48.7 31.6 48.5 0.6 141 141 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.840 109.7 56.3 -65.6 -35.0 33.2 51.4 -1.3 142 142 A H H X S+ 0 0 8 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.941 110.2 46.3 -54.8 -50.8 35.2 49.0 -3.4 143 143 A E H >X S+ 0 0 14 -4,-1.9 3,-1.4 1,-0.2 4,-1.0 0.981 114.6 44.1 -61.8 -57.5 31.9 47.3 -4.4 144 144 A L H >X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.3 3,-0.6 0.897 107.8 61.0 -54.1 -37.3 30.0 50.5 -5.2 145 145 A T H 3X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.3 0.838 95.7 60.1 -64.0 -26.8 33.1 51.9 -7.0 146 146 A H H <>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 3,-0.9 0.925 107.9 55.4 -60.4 -41.8 33.5 52.2 -13.3 150 150 A D H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 111.3 43.9 -63.3 -32.6 30.8 50.3 -15.2 151 151 A Y H 3<5S+ 0 0 129 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.567 126.9 28.8 -86.3 -9.4 28.9 53.5 -15.8 152 152 A T T <<5S+ 0 0 42 -4,-0.9 -3,-0.2 -3,-0.9 -2,-0.1 0.625 133.5 4.6-114.1 -89.5 32.0 55.4 -16.8 153 153 A A T 5S- 0 0 5 118,-0.2 -3,-0.2 -5,-0.1 3,-0.1 0.843 76.6-149.3 -70.0 -34.6 35.1 53.9 -18.3 154 154 A G < - 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0 0 21 -5,-1.5 -1,-0.3 -6,-0.1 2,-0.2 -0.826 58.1-106.7-105.0 146.5 50.9 40.4 -5.6 214 214 A P - 0 0 11 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.484 25.5-177.2 -73.6 138.3 53.2 42.2 -8.1 215 215 A D S S+ 0 0 20 -2,-0.2 2,-0.3 1,-0.1 18,-0.0 0.109 74.5 51.8-116.2 13.2 54.5 45.7 -7.3 216 216 A H S > S- 0 0 40 98,-0.1 3,-1.6 1,-0.0 98,-0.2 -0.972 80.4-126.8-151.9 141.4 56.3 45.9 -10.7 217 217 A Y G > S+ 0 0 57 96,-2.4 3,-1.9 -2,-0.3 97,-0.1 0.830 107.6 62.4 -61.7 -35.1 55.1 45.3 -14.3 218 218 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.674 102.2 53.5 -64.1 -18.7 57.9 42.8 -15.1 219 219 A K G < S+ 0 0 55 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.174 83.8 138.0 -98.3 14.5 56.4 40.6 -12.4 220 220 A R < - 0 0 96 -3,-1.9 2,-0.3 1,-0.1 -3,-0.1 -0.318 54.6-122.4 -67.3 146.3 53.0 40.8 -14.0 221 221 A Y + 0 0 82 8,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.682 30.7 173.5 -83.3 133.4 50.9 37.6 -14.1 222 222 A T + 0 0 114 -2,-0.3 -1,-0.1 -63,-0.0 7,-0.1 0.206 38.7 110.0-133.8 23.7 49.8 36.5 -17.5 223 223 A G S S- 0 0 28 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.100 79.0-107.5 -73.8-169.4 48.1 33.1 -17.0 224 224 A T S >> S+ 0 0 132 4,-0.1 4,-0.7 3,-0.1 3,-0.6 0.516 79.5 113.1-104.5 -5.1 44.4 32.8 -17.5 225 225 A Q H >> S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 3,-0.9 -0.196 77.5 18.4 -62.4 154.8 43.4 32.4 -13.8 226 226 A D H 3> S- 0 0 54 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.849 141.6 -55.4 48.5 39.7 41.4 35.1 -11.9 227 227 A N H <4 S- 0 0 92 -3,-0.6 -68,-2.1 1,-0.2 -1,-0.3 0.891 112.5 -40.6 64.3 38.5 40.4 36.5 -15.3 228 228 A G H << S- 0 0 4 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.794 115.7 -56.9 76.8 25.2 44.0 36.8 -16.3 229 229 A G H >X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.1 3,-1.4 0.826 74.7 160.2 76.6 42.5 44.8 38.1 -12.8 230 230 A V T 3< S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.3 -63,-0.1 0.848 84.0 43.1 -64.7 -27.0 42.6 41.1 -12.3 231 231 A H T 34 S+ 0 0 63 -5,-0.4 -1,-0.3 2,-0.1 -5,-0.1 0.503 118.9 46.3 -92.4 -3.4 43.1 40.8 -8.5 232 232 A I T X4 S+ 0 0 44 -3,-1.4 3,-1.2 -6,-0.2 4,-0.2 0.813 112.6 41.5-104.2 -53.7 46.8 40.1 -8.9 233 233 A N T >X S+ 0 0 8 -4,-2.7 3,-1.3 1,-0.3 4,-0.8 0.616 95.0 83.7 -77.1 -12.7 48.1 42.7 -11.4 234 234 A S H 3> S+ 0 0 0 -5,-0.5 4,-2.9 -4,-0.4 -1,-0.3 0.780 78.2 70.6 -54.9 -29.1 46.0 45.3 -9.6 235 235 A G H <> S+ 0 0 1 -3,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.858 89.7 58.4 -60.8 -30.8 48.9 45.5 -7.2 236 236 A I H <> S+ 0 0 0 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.924 113.3 38.1 -65.5 -41.9 51.1 47.2 -9.8 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.912 114.2 55.0 -76.5 -38.3 48.5 50.0 -10.1 238 238 A N H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.881 108.3 49.6 -56.0 -43.9 47.7 50.1 -6.4 239 239 A K H X S+ 0 0 24 -4,-2.5 4,-2.1 -25,-0.2 -1,-0.2 0.926 109.9 51.4 -63.2 -45.1 51.4 50.5 -5.6 240 240 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.886 111.4 46.3 -56.6 -45.2 51.6 53.4 -8.1 241 241 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.890 110.7 53.4 -68.1 -38.6 48.6 55.1 -6.5 242 242 A Y H X S+ 0 0 53 -4,-2.5 4,-2.8 -37,-0.2 5,-0.4 0.868 110.8 47.9 -58.0 -38.6 50.1 54.5 -3.1 243 243 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 3,-0.2 -2,-0.2 0.888 106.9 53.9 -75.0 -41.1 53.3 56.2 -4.4 244 244 A I H < S+ 0 0 0 -4,-2.3 14,-2.9 1,-0.2 15,-0.3 0.873 119.5 35.7 -59.1 -38.4 51.6 59.2 -5.9 245 245 A S H < S+ 0 0 5 -4,-1.8 14,-2.3 12,-0.3 -2,-0.2 0.926 134.6 20.6 -78.7 -47.8 49.9 59.9 -2.6 246 246 A Q H < S- 0 0 84 -4,-2.8 11,-0.4 -5,-0.2 -3,-0.2 0.693 93.5-142.3-102.6 -26.6 52.5 58.9 -0.2 247 247 A G < + 0 0 13 -4,-2.3 2,-0.2 -5,-0.4 9,-0.2 -0.165 30.9 148.4 81.9 174.4 55.8 59.0 -2.0 248 248 A G E -L 255 0E 32 7,-2.0 7,-2.7 -4,-0.1 2,-0.6 -0.721 48.8 -84.5 142.5 169.4 58.7 56.7 -1.7 249 249 A T E -L 254 0E 98 5,-0.3 2,-0.5 -2,-0.2 5,-0.3 -0.954 40.9-177.5-108.3 116.1 61.7 55.0 -3.4 250 250 A H E > S-L 253 0E 17 3,-2.9 3,-2.3 -2,-0.6 -2,-0.0 -0.980 72.3 -18.1-121.4 123.0 60.7 51.8 -5.2 251 251 A Y T 3 S- 0 0 144 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.895 134.0 -47.6 43.2 46.6 63.3 49.7 -6.9 252 252 A G T 3 S+ 0 0 68 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.479 113.3 123.8 82.5 0.9 65.5 52.8 -6.8 253 253 A V E < -L 250 0E 43 -3,-2.3 -3,-2.9 59,-0.1 2,-0.4 -0.862 49.4-150.9-103.7 120.1 62.8 55.1 -8.1 254 254 A S E -L 249 0E 75 -2,-0.7 2,-0.4 -5,-0.3 -5,-0.3 -0.662 11.5-168.8 -87.7 134.8 62.0 58.1 -5.9 255 255 A V E -L 248 0E 10 -7,-2.7 -7,-2.0 -2,-0.4 2,-0.7 -0.989 18.5-136.8-124.2 133.4 58.5 59.5 -6.0 256 256 A V - 0 0 64 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.785 27.6-134.6 -86.4 116.4 57.3 62.8 -4.4 257 257 A G - 0 0 30 -2,-0.7 -12,-0.3 -11,-0.4 -11,-0.2 -0.379 21.4-173.6 -71.3 148.7 54.0 62.2 -2.7 258 258 A I - 0 0 27 -14,-2.9 4,-0.4 1,-0.2 -13,-0.2 0.283 45.2-111.3-123.3 7.5 51.2 64.7 -3.3 259 259 A G > - 0 0 28 -14,-2.3 4,-1.4 -15,-0.3 -1,-0.2 0.076 32.8 -69.1 83.3 168.4 48.7 63.3 -0.8 260 260 A R H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 119.2 57.8 -58.5 -49.2 45.3 61.5 -1.0 261 261 A D H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 110.7 41.7 -60.4 -47.2 43.0 64.3 -2.2 262 262 A K H > S+ 0 0 75 -4,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.819 111.2 57.0 -70.4 -32.6 45.0 65.0 -5.4 263 263 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.944 110.9 45.2 -57.5 -43.9 45.4 61.3 -6.0 264 264 A G H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.855 112.1 49.7 -70.1 -40.9 41.7 61.1 -5.9 265 265 A K H X S+ 0 0 101 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.905 114.6 46.5 -62.7 -41.4 41.1 64.1 -8.1 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.926 115.6 42.1 -72.5 -40.2 43.6 62.7 -10.7 267 267 A F H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.857 111.6 54.8 -77.1 -32.1 42.2 59.2 -10.8 268 268 A Y H X S+ 0 0 31 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.893 110.6 47.1 -62.0 -43.0 38.6 60.2 -10.8 269 269 A R H X>S+ 0 0 96 -4,-1.6 4,-2.8 2,-0.2 5,-0.6 0.905 112.5 48.9 -65.7 -44.6 39.2 62.4 -13.8 270 270 A A H X>S+ 0 0 0 -4,-2.0 5,-3.1 1,-0.2 4,-1.8 0.957 113.6 48.2 -58.3 -45.5 41.1 59.6 -15.6 271 271 A L H <5S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 121.8 32.9 -61.6 -40.2 38.3 57.2 -14.8 272 272 A T H <5S+ 0 0 54 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.712 131.4 25.1 -95.5 -23.1 35.5 59.5 -16.0 273 273 A Q H <5S+ 0 0 56 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.644 129.4 20.4-120.0 -12.9 37.1 61.4 -18.8 274 274 A Y T < - 0 0 61 -122,-0.1 3,-1.9 -120,-0.0 -122,-0.2 -0.852 42.1 -83.1-134.8 169.3 37.9 53.3 -21.8 277 277 A P T 3 S+ 0 0 60 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.761 126.1 35.3 -48.8 -29.6 36.7 49.6 -21.7 278 278 A T T 3 S+ 0 0 96 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.266 80.0 139.9-116.0 17.3 40.0 48.4 -23.2 279 279 A S < - 0 0 7 -3,-1.9 -115,-0.2 -126,-0.1 2,-0.2 -0.300 35.3-155.2 -57.6 143.3 42.6 50.7 -21.6 280 280 A N > - 0 0 58 -119,-0.1 4,-2.5 -120,-0.1 5,-0.2 -0.520 37.0 -85.3-109.1-178.9 45.9 49.0 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.888 128.6 51.7 -55.7 -41.3 48.4 50.0 -18.0 282 282 A S H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 109.4 48.2 -63.4 -39.7 50.2 52.2 -20.5 283 283 A Q H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 108.0 56.7 -71.0 -34.8 47.1 54.0 -21.4 284 284 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.891 104.3 51.3 -59.3 -44.6 46.3 54.5 -17.8 285 285 A R H X S+ 0 0 35 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.937 112.5 47.1 -59.3 -40.4 49.6 56.2 -17.1 286 286 A A H X S+ 0 0 61 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.867 112.0 50.4 -66.8 -39.2 48.8 58.5 -20.1 287 287 A A H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.908 111.9 47.2 -64.7 -42.7 45.3 59.1 -18.8 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.903 111.9 50.0 -68.3 -39.9 46.7 60.0 -15.4 289 289 A V H X S+ 0 0 25 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.935 112.1 47.4 -63.8 -44.0 49.3 62.3 -16.8 290 290 A Q H X S+ 0 0 82 -4,-2.5 4,-3.5 1,-0.2 -2,-0.2 0.942 113.3 49.4 -61.0 -44.9 46.7 64.1 -18.9 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 112.4 45.7 -57.2 -51.6 44.4 64.4 -15.9 292 292 A A H X>S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.5 0.897 114.4 50.3 -60.1 -41.7 47.1 65.7 -13.6 293 293 A T H X5S+ 0 0 34 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.928 109.5 50.5 -61.2 -47.5 48.1 68.1 -16.4 294 294 A D H <5S+ 0 0 59 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 119.1 38.7 -54.1 -41.0 44.5 69.2 -16.8 295 295 A L H <5S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.829 133.9 11.7 -87.4 -33.2 44.3 69.8 -13.1 296 296 A Y H <5S- 0 0 70 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.438 108.2 -93.4-128.5 -5.8 47.6 71.3 -12.1 297 297 A G ><< - 0 0 30 -4,-1.8 3,-2.0 -5,-0.5 6,-0.4 0.160 35.9 -86.0 98.2 145.9 49.5 72.3 -15.3 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.656 126.2 45.3 -55.0 -25.2 52.0 70.6 -17.4 299 299 A T T 3 S+ 0 0 140 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.343 89.6 122.2-106.2 8.1 55.0 71.8 -15.3 300 300 A S S <> S- 0 0 16 -3,-2.0 4,-1.8 1,-0.1 5,-0.1 -0.178 73.6-119.5 -68.9 156.3 53.4 70.9 -11.9 301 301 A Q H > S+ 0 0 92 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.812 113.0 63.7 -55.7 -32.8 54.8 68.6 -9.2 302 302 A E H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 103.4 43.1 -65.0 -48.8 51.7 66.6 -9.7 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.914 114.8 52.8 -62.8 -39.7 52.4 65.6 -13.3 304 304 A A H X S+ 0 0 40 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.928 109.6 46.3 -62.0 -47.2 56.0 65.0 -12.3 305 305 A S H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 5,-0.2 0.885 108.3 56.2 -64.5 -41.5 55.0 62.6 -9.4 306 306 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.945 110.5 46.0 -53.1 -47.9 52.5 60.8 -11.5 307 307 A K H X S+ 0 0 85 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.917 111.5 51.1 -61.5 -44.3 55.3 60.1 -14.0 308 308 A Q H X S+ 0 0 49 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.951 109.7 51.7 -57.7 -50.8 57.7 59.1 -11.2 309 309 A A H X S+ 0 0 0 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.902 112.8 41.9 -54.5 -51.8 55.1 56.7 -9.8 310 310 A F H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 3,-0.3 0.920 112.6 56.0 -67.3 -37.1 54.5 54.8 -13.0 311 311 A D H ><5S+ 0 0 83 -4,-2.8 3,-2.0 -5,-0.2 -2,-0.2 0.952 105.9 52.1 -52.2 -50.8 58.2 54.8 -13.8 312 312 A A H 3<5S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.811 108.3 48.8 -62.4 -28.0 58.7 53.1 -10.5 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.4 -3,-0.3 -1,-0.3 0.378 119.0-111.4 -96.0 14.7 56.2 50.4 -11.2 314 314 A G T < 5S+ 0 0 29 -3,-2.0 2,-0.6 -4,-0.3 -3,-0.2 0.783 71.1 141.7 72.6 27.6 57.9 49.9 -14.6 315 315 A V < 0 0 5 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.892 360.0 360.0-108.6 116.3 54.9 51.2 -16.5 316 316 A K 0 0 105 -2,-0.6 -31,-0.2 -3,-0.1 -30,-0.1 -0.605 360.0 360.0-105.9 360.0 55.8 53.3 -19.5