==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (METALLOPROTEINASE) 27-JAN-83 7TLN . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR B.W.MATTHEWS,M.A.HOLMES,D.E.TRONRUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 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 . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 33.9 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 94 0, 0.0 2,-0.6 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 142.2 33.4 41.1 -0.0 2 2 A T + 0 0 137 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.861 360.0 101.2 -99.6 123.8 33.3 44.9 0.6 3 3 A G - 0 0 41 -2,-0.6 2,-0.5 22,-0.0 22,-0.2 -0.931 68.6 -48.6-171.0-164.9 34.1 45.9 4.2 4 4 A T E -A 24 0A 83 20,-2.4 20,-3.4 -2,-0.3 2,-0.2 -0.746 49.0-124.6 -94.9 124.4 36.5 47.3 6.8 5 5 A S E +A 23 0A 68 -2,-0.5 18,-0.2 18,-0.2 2,-0.2 -0.556 44.8 156.8 -67.2 132.8 40.0 45.9 7.0 6 6 A T E -A 22 0A 41 16,-2.0 16,-1.9 -2,-0.2 2,-0.4 -0.756 37.8-112.3-145.6-177.7 40.8 44.6 10.5 7 7 A V E -A 21 0A 86 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.954 27.9-172.5-132.3 123.0 43.2 42.1 12.1 8 8 A G E -A 20 0A 2 12,-2.3 12,-2.5 -2,-0.4 2,-0.4 -0.446 14.6-133.5-104.0 177.0 42.2 38.8 13.8 9 9 A V E +Ab 19 61A 34 51,-1.6 53,-2.5 10,-0.3 2,-0.3 -0.993 30.2 153.6-132.2 148.1 44.1 36.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.5 8,-3.0 -2,-0.4 2,-0.4 -0.915 38.3-106.0-157.9-180.0 44.1 32.4 15.5 11 11 A R E -A 17 0A 108 51,-1.9 6,-0.2 -2,-0.3 60,-0.2 -0.957 31.7-138.8-122.6 133.5 46.0 29.2 16.0 12 12 A G > - 0 0 3 4,-3.2 3,-1.3 -2,-0.4 56,-0.2 -0.100 36.5 -87.8 -81.6-178.8 47.6 27.3 13.2 13 13 A V T 3 S+ 0 0 31 55,-0.6 55,-0.1 1,-0.2 122,-0.1 0.875 128.7 53.2 -55.5 -41.9 47.8 23.5 12.6 14 14 A L T 3 S- 0 0 87 54,-0.1 -1,-0.2 121,-0.1 121,-0.0 0.504 123.2-104.8 -76.2 -1.6 51.0 23.3 14.7 15 15 A G S < S+ 0 0 47 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.561 74.3 143.8 91.0 9.4 49.2 25.1 17.7 16 16 A D - 0 0 58 1,-0.0 -4,-3.2 -5,-0.0 2,-0.3 -0.644 47.4-126.7 -87.6 140.4 51.1 28.4 17.0 17 17 A Q E +A 11 0A 128 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.660 35.8 164.8 -90.8 134.7 49.3 31.7 17.5 18 18 A K E -A 10 0A 15 -8,-3.0 -8,-2.5 -2,-0.3 2,-0.3 -0.997 36.0-119.8-148.3 155.2 49.2 34.3 14.8 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.693 31.5-166.8 -88.0 138.9 47.5 37.5 13.6 20 20 A I E -A 8 0A 3 -12,-2.5 -12,-2.3 -2,-0.3 2,-0.4 -0.944 23.8-113.9-124.7 156.9 45.8 37.3 10.3 21 21 A N E +A 7 0A 42 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.746 45.2 170.3 -91.1 130.1 44.4 40.1 8.1 22 22 A T E -A 6 0A 2 -16,-1.9 -16,-2.0 -2,-0.4 2,-0.4 -0.691 28.2-126.5-131.9 174.1 40.6 39.9 7.8 23 23 A T E -AC 5 29A 0 6,-1.4 6,-3.1 -18,-0.2 2,-0.5 -0.993 17.9-141.5-132.8 131.5 37.6 42.0 6.5 24 24 A Y E +AC 4 28A 95 -20,-3.4 -20,-2.4 -2,-0.4 4,-0.2 -0.836 40.7 135.6-106.3 126.4 34.6 43.0 8.4 25 25 A S S S- 0 0 49 2,-2.7 2,-3.2 -2,-0.5 -22,-0.0 -0.662 93.4 -51.3-164.5 82.3 31.1 43.1 6.9 26 26 A T S S+ 0 0 119 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.310 138.7 40.7 71.2 -53.2 28.6 41.5 9.4 27 27 A Y S S- 0 0 113 -2,-3.2 -2,-2.7 32,-0.0 2,-0.5 -0.649 95.2-111.8-108.0 174.8 30.9 38.6 9.6 28 28 A Y E -CD 24 57A 53 29,-3.4 29,-2.4 -2,-0.2 2,-0.3 -0.929 39.6-157.9-104.0 122.4 34.6 38.6 9.8 29 29 A Y E -CD 23 56A 39 -6,-3.1 2,-1.9 -2,-0.5 -6,-1.4 -0.749 28.5-118.4-104.6 155.7 36.1 37.1 6.6 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.3 11,-0.3 2,-0.3 -0.588 72.1 127.1 -84.3 72.9 39.4 35.6 5.7 31 31 A Q E -E 40 0B 10 -2,-1.9 2,-0.6 9,-0.2 9,-0.2 -0.967 45.7-157.6-134.4 117.8 40.0 38.3 3.1 32 32 A D E -E 39 0B 2 7,-2.6 7,-1.6 -2,-0.3 3,-0.3 -0.883 10.9-178.8-107.5 118.8 43.3 40.3 3.2 33 33 A N + 0 0 60 -2,-0.6 -1,-0.1 -11,-0.3 -28,-0.0 0.513 69.1 75.7 -90.5 -15.2 43.1 43.6 1.6 34 34 A T S S+ 0 0 89 1,-0.1 2,-0.6 5,-0.1 -1,-0.2 0.453 85.0 67.6 -76.9 -14.7 46.7 44.7 2.2 35 35 A R S > S- 0 0 44 -3,-0.3 3,-2.7 1,-0.1 -1,-0.1 -0.882 108.5 -68.3-122.6 107.1 48.2 42.5 -0.4 36 36 A G T 3 S- 0 0 28 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.255 112.5 -18.0 57.4-138.1 47.6 43.1 -4.1 37 37 A D T 3 S- 0 0 114 60,-1.8 -1,-0.3 1,-0.3 62,-0.2 0.336 120.2 -84.1 -83.5 10.4 44.2 42.5 -5.2 38 38 A G < - 0 0 1 -3,-2.7 62,-2.2 60,-0.2 2,-0.4 -0.092 26.8-104.3 111.1 158.5 43.7 40.4 -1.9 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-2.6 60,-0.2 2,-0.4 -0.987 36.7-170.9-118.5 119.1 44.2 37.0 -0.3 40 40 A F E -Ef 31 101B 20 60,-2.6 62,-1.6 -2,-0.4 2,-0.4 -0.979 6.3-163.2-120.0 126.4 40.9 35.0 -0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.9 -2,-0.4 -11,-0.3 -0.933 10.8-164.1-117.9 129.6 40.6 31.7 1.9 42 42 A Y E -Gf 54 103B 27 60,-3.2 62,-2.2 -2,-0.4 2,-0.6 -0.799 20.4-128.0-114.0 155.2 37.6 29.4 1.4 43 43 A D E -Gf 53 104B 24 10,-2.7 10,-2.2 -2,-0.3 62,-0.2 -0.905 14.3-172.9-101.3 116.7 36.0 26.5 3.2 44 44 A A > - 0 0 4 60,-2.8 3,-1.6 -2,-0.6 5,-0.3 0.581 29.0-142.5 -86.0 -4.7 35.5 23.5 0.9 45 45 A K T 3 - 0 0 108 59,-0.4 61,-0.2 1,-0.3 60,-0.1 0.726 62.0 -58.7 49.7 39.8 33.5 21.7 3.7 46 46 A Y T 3 S+ 0 0 109 59,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.588 114.5 111.5 64.3 23.1 34.9 18.2 3.1 47 47 A R S < S- 0 0 179 -3,-1.6 60,-2.1 58,-0.4 -1,-0.3 -0.654 71.8-129.7-116.6 178.5 33.6 18.3 -0.5 48 48 A T S S+ 0 0 87 -2,-0.2 2,-0.5 58,-0.2 -3,-0.1 0.187 72.9 112.3-108.7 -1.4 35.5 18.4 -3.9 49 49 A T S S- 0 0 105 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.706 70.0-101.5 -83.4 121.7 33.4 21.4 -5.3 50 50 A L S S- 0 0 57 -2,-0.5 -2,-0.1 1,-0.2 71,-0.0 -0.788 79.0 -4.8-114.3 151.6 35.6 24.5 -5.6 51 51 A P S S- 0 0 47 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.979 80.7-167.2 -79.3 -13.5 36.3 27.1 -4.2 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.829 45.7 -22.8 101.6-143.5 33.6 26.5 -1.7 53 53 A S E -G 43 0B 47 -10,-2.2 -10,-2.7 -2,-0.4 -8,-0.1 -0.921 66.9-108.3-108.3 139.0 32.5 29.4 0.7 54 54 A L E -G 42 0B 32 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.361 53.9 -95.7 -64.5 133.5 34.6 32.4 1.6 55 55 A W - 0 0 12 -14,-2.9 -25,-2.2 -25,-0.3 2,-0.4 -0.359 48.8-171.7 -63.2 121.2 35.6 31.8 5.2 56 56 A A E +D 29 0A 47 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.897 7.7 179.4-118.1 132.8 33.2 33.6 7.7 57 57 A D E -D 28 0A 20 -29,-2.4 -29,-3.4 -2,-0.4 3,-0.1 -0.999 24.1-144.1-136.6 137.8 33.7 33.9 11.3 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.722 94.5 23.3 -71.3 -35.4 31.5 35.6 13.9 59 59 A D S S- 0 0 89 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.437 97.2-112.4-122.5 13.8 34.1 37.0 16.3 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.6 -32,-0.2 2,-0.5 0.657 82.2 117.3 65.7 18.7 37.5 37.4 14.5 61 61 A Q E -b 9 0A 96 -53,-0.2 2,-0.3 1,-0.0 -2,-0.3 -0.965 45.6-170.1-124.7 124.2 39.0 34.7 16.6 62 62 A F E +b 10 0A 0 -53,-2.5 -51,-1.9 -2,-0.5 9,-0.1 -0.523 40.2 124.2-113.0 66.2 40.2 31.5 14.9 63 63 A F + 0 0 72 -2,-0.3 -1,-0.1 -53,-0.2 2,-0.1 0.425 39.4 106.7-107.0 5.1 40.9 29.0 17.8 64 64 A A S >> S- 0 0 51 -3,-0.2 4,-1.0 1,-0.1 3,-0.9 -0.473 77.3-120.9 -84.2 153.7 38.8 26.1 16.9 65 65 A S G >4 S+ 0 0 112 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.891 115.6 56.5 -65.5 -31.5 40.4 23.0 15.5 66 66 A Y G 34 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.697 104.1 55.2 -60.3 -32.9 38.3 23.3 12.3 67 67 A D G X> S+ 0 0 17 -3,-0.9 4,-1.6 1,-0.1 3,-0.9 0.693 86.1 89.2 -65.2 -35.4 39.8 27.0 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.842 112.7 54.6 -69.2 -30.4 44.1 24.9 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.1 -4,-0.2 -2,-0.2 0.871 106.1 51.9 -67.3 -44.0 42.4 28.1 7.2 71 71 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 -60,-0.2 5,-0.2 0.911 114.3 43.3 -52.7 -52.3 44.7 30.3 9.4 72 72 A D H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.841 112.2 50.6 -69.1 -43.7 47.8 28.8 8.0 73 73 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.956 116.7 42.9 -62.1 -46.1 46.7 28.8 4.4 74 74 A H H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.902 118.7 43.5 -58.1 -56.5 45.8 32.5 4.7 75 75 A Y H X S+ 0 0 94 -4,-2.9 4,-2.0 -5,-0.2 -3,-0.2 0.927 115.0 46.9 -61.1 -50.1 48.9 33.4 6.7 76 76 A Y H X S+ 0 0 8 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.803 107.7 56.6 -69.7 -25.7 51.4 31.5 4.6 77 77 A A H X S+ 0 0 0 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.886 106.5 52.5 -67.5 -36.2 50.0 32.8 1.4 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.925 109.8 46.8 -60.1 -50.6 50.6 36.3 2.8 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.881 110.1 53.3 -62.3 -35.0 54.3 35.4 3.6 80 80 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.862 109.2 48.0 -64.9 -44.3 54.8 33.9 0.1 81 81 A Y H X S+ 0 0 14 -4,-1.6 4,-2.3 1,-0.2 11,-0.2 0.897 111.6 52.4 -62.2 -45.3 53.5 37.1 -1.5 82 82 A D H X S+ 0 0 40 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.835 107.0 51.0 -59.0 -44.3 55.8 39.1 0.7 83 83 A Y H X>S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 5,-0.8 0.959 112.9 46.2 -60.2 -51.2 58.8 37.0 -0.3 84 84 A Y H X5S+ 0 0 3 -4,-2.1 6,-2.6 1,-0.2 4,-0.7 0.829 117.4 42.3 -60.1 -42.7 58.1 37.5 -4.0 85 85 A K H X5S+ 0 0 92 -4,-2.3 4,-1.2 4,-0.3 -1,-0.2 0.938 121.9 38.2 -71.4 -48.6 57.4 41.2 -3.7 86 86 A N H <5S+ 0 0 96 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.858 126.5 32.3 -71.7 -42.8 60.3 42.0 -1.4 87 87 A V H <5S+ 0 0 54 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.1 0.823 135.4 18.7 -86.5 -39.1 63.0 39.7 -2.7 88 88 A H H < - 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0 0 32 16,-1.8 4,-0.5 -3,-0.2 18,-0.5 -0.673 49.3 -31.0 -79.5 125.6 39.0 19.6 0.6 107 107 A S T 4 S- 0 0 31 -60,-2.1 2,-0.6 -2,-0.4 -60,-0.2 0.069 93.6 -59.4 58.4-165.9 37.6 16.1 0.4 108 108 A Q T 4 S- 0 0 158 1,-0.2 -1,-0.1 15,-0.1 18,-0.1 -0.960 111.5 -14.6-114.0 125.8 37.9 13.5 3.2 109 109 A G T 4 S+ 0 0 39 -2,-0.6 2,-0.6 16,-0.3 17,-0.2 0.892 83.5 178.6 55.5 40.8 41.3 12.4 4.4 110 110 A Y < - 0 0 73 -4,-0.5 15,-1.9 15,-0.3 2,-1.0 -0.733 19.5-156.0 -83.2 118.1 42.9 13.9 1.3 111 111 A N + 0 0 51 -2,-0.6 2,-0.3 13,-0.1 -1,-0.1 -0.413 62.5 49.3 -93.5 54.2 46.7 13.4 1.4 112 112 A N - 0 0 86 -2,-1.0 11,-2.3 2,-0.0 2,-0.3 -0.985 58.4-142.6-172.7 172.9 47.8 16.3 -0.8 113 113 A A E -I 122 0B 2 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.711 26.8-179.8-137.8 164.3 47.7 19.9 -1.8 114 114 A F E -I 121 0B 50 7,-1.3 7,-2.6 -2,-0.3 2,-0.6 -0.834 36.4-125.3-171.4 153.3 47.7 21.5 -5.3 115 115 A W E -I 120 0B 26 5,-0.2 5,-0.2 -2,-0.2 -2,-0.0 -0.875 26.8-167.8 -93.7 116.0 47.6 24.4 -7.6 116 116 A N - 0 0 67 3,-2.6 4,-0.1 -2,-0.6 -1,-0.1 0.103 54.1 -87.1 -97.4 20.6 44.8 23.7 -10.0 117 117 A G S S+ 0 0 42 2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.102 124.5 34.0 98.8 -28.0 45.5 26.4 -12.7 118 118 A S S S+ 0 0 74 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.493 121.9 3.5-133.5 -12.9 43.5 29.0 -10.8 119 119 A E - 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0 0 82 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.2 -0.704 30.0-124.3 -85.7 127.3 82.1 26.1 -3.7 257 257 A G - 0 0 28 -11,-0.4 -12,-0.3 -2,-0.4 -13,-0.2 -0.561 23.3-171.1 -72.8 138.9 78.8 27.3 -2.3 258 258 A I - 0 0 24 -14,-3.7 4,-0.4 -2,-0.2 -13,-0.2 0.436 45.9-109.5-110.2 0.1 77.7 30.8 -3.2 259 259 A G > - 0 0 26 -14,-1.8 4,-1.6 -15,-0.5 3,-0.2 0.043 27.3 -79.4 97.4 161.2 74.7 31.1 -0.7 260 260 A R H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.794 118.1 59.4 -74.8 -27.5 70.9 31.1 -0.8 261 261 A D H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 110.7 41.6 -58.6 -55.1 70.3 34.6 -1.8 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-2.9 -3,-0.2 5,-0.3 0.808 111.2 56.6 -63.8 -38.8 72.3 34.3 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.923 109.0 47.4 -57.7 -49.5 70.8 30.8 -5.7 264 264 A G H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.882 113.5 49.0 -58.5 -40.3 67.3 32.5 -5.5 265 265 A K H X S+ 0 0 91 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.913 113.1 44.0 -69.2 -46.3 68.5 35.3 -7.9 266 266 A I H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.930 116.2 47.7 -64.1 -47.4 70.0 33.1 -10.5 267 267 A F H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.936 111.3 49.7 -60.1 -38.8 67.0 30.6 -10.5 268 268 A Y H X S+ 0 0 30 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.909 112.1 49.0 -67.5 -42.2 64.4 33.4 -10.7 269 269 A R H X>S+ 0 0 66 -4,-1.8 4,-2.3 2,-0.2 5,-0.9 0.903 111.6 47.9 -64.2 -43.4 66.2 34.9 -13.6 270 270 A A H X>S+ 0 0 0 -4,-2.5 5,-2.9 3,-0.2 4,-1.5 0.974 115.0 47.6 -60.6 -46.5 66.5 31.5 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.3 1,-0.2 -2,-0.2 0.904 120.3 35.7 -57.9 -45.7 62.7 30.9 -14.7 272 272 A T H <5S+ 0 0 37 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.670 132.2 21.9 -89.9 -26.1 61.5 34.4 -15.9 273 273 A Q H <5S+ 0 0 123 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.698 129.4 25.6-110.6 -37.8 63.9 35.1 -18.7 274 274 A Y T < - 0 0 72 -2,-0.1 3,-1.2 -122,-0.0 -120,-0.1 -0.658 41.8 -92.5-120.5 173.7 60.4 27.7 -22.0 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.8 0, 0.0 -123,-0.1 0.771 124.0 43.1 -62.7 -20.4 57.5 25.2 -21.7 278 278 A T T 3 S+ 0 0 101 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.316 79.9 141.6-111.6 4.7 59.7 22.5 -23.2 279 279 A S < - 0 0 4 -3,-1.2 -115,-0.2 -126,-0.1 2,-0.2 -0.165 33.0-156.2 -54.6 142.6 63.0 23.0 -21.5 280 280 A N > - 0 0 58 -119,-0.1 4,-2.2 -116,-0.1 5,-0.2 -0.506 36.2 -89.9-114.0 175.6 65.0 20.0 -20.5 281 281 A F H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.848 126.7 51.8 -59.8 -36.2 67.7 19.5 -17.8 282 282 A S H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.889 108.8 50.2 -75.3 -25.9 70.4 20.5 -20.2 283 283 A Q H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 106.5 56.5 -79.1 -24.5 68.6 23.6 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.924 104.6 52.2 -69.0 -40.6 68.2 24.4 -17.5 285 285 A R H X S+ 0 0 31 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.936 111.4 46.1 -55.4 -53.0 72.0 24.2 -17.1 286 286 A A H X S+ 0 0 50 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.867 113.3 50.2 -55.7 -41.4 72.4 26.7 -20.0 287 287 A A H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.945 112.1 46.6 -68.5 -43.1 69.7 29.0 -18.5 288 288 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.937 113.0 47.9 -64.0 -48.6 71.3 29.0 -15.1 289 289 A V H X S+ 0 0 26 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.923 112.9 49.5 -56.2 -46.5 74.9 29.7 -16.4 290 290 A Q H X S+ 0 0 85 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.863 111.5 48.7 -63.5 -38.9 73.6 32.5 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.817 112.6 48.0 -64.5 -43.9 71.6 34.1 -15.6 292 292 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.870 111.5 50.7 -62.3 -46.0 74.7 33.8 -13.4 293 293 A T H X S+ 0 0 36 -4,-2.5 4,-2.0 3,-0.2 -2,-0.2 0.868 110.3 49.8 -57.7 -42.1 76.8 35.4 -16.3 294 294 A D H < S+ 0 0 69 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 121.0 35.1 -63.5 -43.9 74.3 38.3 -16.6 295 295 A L H < S+ 0 0 71 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.826 135.8 15.2 -79.9 -43.8 74.3 39.0 -12.9 296 296 A Y H < S- 0 0 68 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.509 106.0 -99.5-117.3 -10.5 77.9 38.3 -11.9 297 297 A G >< - 0 0 31 -4,-2.0 3,-2.3 -5,-0.4 6,-0.4 0.199 34.5 -89.3 94.1 144.1 80.1 38.1 -15.1 298 298 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.727 126.4 50.3 -62.8 -21.0 81.4 35.2 -17.1 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.160 87.7 120.3-105.1 20.7 84.5 35.0 -15.0 300 300 A S S <> S- 0 0 18 -3,-2.3 4,-1.5 1,-0.1 -3,-0.1 -0.330 72.5-123.7 -82.6 165.4 82.7 35.0 -11.7 301 301 A Q H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.866 112.0 62.8 -69.5 -37.7 82.8 32.4 -9.0 302 302 A E H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.943 105.2 44.0 -50.2 -50.5 79.0 32.3 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-1.8 -11,-0.2 -1,-0.2 0.922 112.9 52.8 -64.3 -41.3 79.2 31.1 -12.8 304 304 A A H X S+ 0 0 30 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.901 109.1 48.7 -64.7 -42.2 82.0 28.6 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.839 108.2 54.2 -64.3 -38.8 79.8 27.2 -8.9 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.889 110.1 47.3 -60.7 -47.5 76.7 26.7 -11.2 307 307 A K H X S+ 0 0 91 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.947 112.9 48.8 -59.0 -44.5 78.9 24.7 -13.7 308 308 A Q H X S+ 0 0 50 -4,-1.8 4,-4.0 2,-0.2 5,-0.2 0.936 109.2 53.1 -60.8 -49.4 80.4 22.5 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.937 111.5 43.2 -52.6 -55.3 77.0 21.8 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-0.3 0.884 114.3 52.2 -62.1 -35.2 75.6 20.6 -12.8 311 311 A D H ><5S+ 0 0 72 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.927 104.5 56.5 -66.4 -41.8 78.7 18.7 -13.4 312 312 A A H 3<5S+ 0 0 1 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.8 44.2 -58.1 -30.5 78.4 17.1 -10.0 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.7 -5,-0.2 -1,-0.3 0.321 117.1-109.4-100.0 5.8 74.9 15.8 -10.9 314 314 A G T < 5 + 0 0 22 -3,-1.4 2,-1.0 -4,-0.3 -3,-0.2 0.619 67.3 146.6 78.0 15.1 75.8 14.6 -14.4 315 315 A V < 0 0 3 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.756 360.0 360.0 -90.8 98.9 73.8 17.3 -16.2 316 316 A K 0 0 143 -2,-1.0 -1,-0.1 -3,-0.1 -5,-0.1 -0.453 360.0 360.0 74.9 360.0 75.9 17.8 -19.3