==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-00 1FJ3 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.ENGLISH,C.R.GROOM,R.E.HUBBARD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 69.6 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 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 . 7 2.2 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 0 2 1 1 1 0 0 0 0 2 0 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 86 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 149.2 8.3 52.2 0.1 2 2 A T + 0 0 137 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.826 360.0 99.9 -97.6 123.4 6.2 55.4 0.6 3 3 A G - 0 0 35 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.952 69.9 -46.7-172.9-159.6 6.4 56.6 4.2 4 4 A T E -A 24 0A 91 20,-2.4 20,-3.3 -2,-0.3 2,-0.2 -0.865 48.7-123.9-101.6 134.5 7.9 59.0 6.7 5 5 A S E +A 23 0A 67 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.431 45.3 152.5 -70.3 138.1 11.6 59.6 6.9 6 6 A T E -A 22 0A 53 16,-2.8 16,-2.5 -2,-0.2 2,-0.4 -0.839 40.4-107.0-155.9-178.4 13.1 58.9 10.3 7 7 A V E -A 21 0A 80 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.988 29.0-175.9-127.1 127.1 16.3 57.9 12.1 8 8 A G E -A 20 0A 3 12,-3.3 12,-2.4 -2,-0.4 2,-0.3 -0.571 16.4-131.4-115.5 177.1 16.9 54.6 13.8 9 9 A V E +Ab 19 61A 32 51,-1.7 53,-3.6 10,-0.2 2,-0.3 -0.950 32.9 143.1-133.1 143.3 19.8 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.4 -0.954 41.2 -99.7-160.0-171.0 21.8 50.0 15.6 11 11 A R E -A 17 0A 116 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.993 31.1-138.9-127.6 135.1 25.1 48.3 15.9 12 12 A G > - 0 0 4 4,-2.4 3,-2.1 -2,-0.4 56,-0.2 -0.061 39.2 -82.7 -81.0-178.0 27.4 47.3 13.1 13 13 A V T 3 S+ 0 0 30 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.852 128.7 49.5 -55.9 -40.5 29.5 44.2 12.4 14 14 A L T 3 S- 0 0 78 54,-0.1 -1,-0.3 2,-0.1 121,-0.0 0.422 121.1-103.4 -84.9 3.1 32.4 45.4 14.7 15 15 A G S < S+ 0 0 45 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.434 74.2 139.7 95.2 -1.4 30.1 46.3 17.6 16 16 A D - 0 0 53 1,-0.1 -4,-2.4 -5,-0.0 -1,-0.3 -0.563 50.5-125.2 -80.8 145.0 30.0 50.1 17.1 17 17 A Q E +A 11 0A 133 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.670 36.4 168.2 -91.1 136.0 26.8 52.0 17.6 18 18 A K E -A 10 0A 17 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.3 -0.994 34.0-120.7-149.0 156.5 25.5 54.2 14.7 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.724 31.8-167.8 -93.0 140.1 22.4 56.1 13.6 20 20 A I E -A 8 0A 3 -12,-2.4 -12,-3.3 -2,-0.3 2,-0.4 -0.986 24.2-113.4-130.4 151.1 20.9 55.1 10.3 21 21 A N E +A 7 0A 40 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.620 45.2 168.6 -83.3 124.7 18.2 56.8 8.0 22 22 A T E -A 6 0A 2 -16,-2.5 -16,-2.8 -2,-0.4 2,-0.4 -0.719 29.2-127.4-133.7 171.2 15.1 54.7 7.8 23 23 A T E -AC 5 29A 0 6,-1.8 6,-2.8 -18,-0.2 2,-0.5 -1.000 16.8-144.4-126.1 138.9 11.6 55.0 6.6 24 24 A Y E +AC 4 28A 99 -20,-3.3 -20,-2.4 -2,-0.4 4,-0.2 -0.854 38.6 137.7-109.0 131.2 8.4 54.3 8.5 25 25 A S S S- 0 0 47 2,-3.1 2,-2.5 -2,-0.5 -2,-0.0 -0.661 94.2 -48.3-163.9 74.3 5.3 52.8 7.0 26 26 A T S S+ 0 0 117 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.367 140.7 36.1 86.6 -61.1 3.9 50.2 9.5 27 27 A Y S S- 0 0 117 -2,-2.5 -2,-3.1 32,-0.0 2,-0.5 -0.643 95.0-111.6-106.5 168.1 7.4 48.7 9.8 28 28 A Y E -CD 24 57A 57 29,-3.1 29,-2.9 -4,-0.2 2,-0.3 -0.916 39.8-160.4-100.2 123.4 10.6 50.7 9.8 29 29 A Y E -CD 23 56A 42 -6,-2.8 2,-2.3 -2,-0.5 -6,-1.8 -0.851 29.1-113.2-108.7 151.1 12.6 49.9 6.6 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.2 -2,-0.3 2,-0.4 -0.532 72.4 128.9 -80.2 83.7 16.2 50.4 5.7 31 31 A Q E -E 40 0B 11 -2,-2.3 2,-0.7 9,-0.2 9,-0.2 -0.957 44.6-159.1-142.8 113.4 15.4 53.0 3.1 32 32 A D E +E 39 0B 3 7,-2.8 7,-1.4 -2,-0.4 3,-0.5 -0.903 11.3 179.3-101.2 106.3 17.3 56.3 3.3 33 33 A N + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.434 67.9 78.8 -87.0 7.9 15.4 59.1 1.5 34 34 A T S S+ 0 0 84 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.562 84.3 63.8 -94.3 -9.0 18.0 61.8 2.2 35 35 A R S > S- 0 0 48 -3,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.912 111.2 -64.6-121.3 111.6 20.5 60.8 -0.5 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.209 112.9 -17.9 56.6-139.6 19.6 61.0 -4.2 37 37 A D T 3 S- 0 0 110 60,-1.8 -1,-0.3 1,-0.2 62,-0.2 0.414 119.7 -80.6 -82.4 8.2 16.8 58.7 -5.2 38 38 A G < - 0 0 2 -3,-2.0 62,-2.2 60,-0.2 2,-0.4 -0.264 28.9-109.5 117.7 157.5 17.4 56.6 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.8 60,-0.2 2,-0.4 -0.999 36.8-168.8-122.4 125.3 19.6 54.0 -0.5 40 40 A F E -Ef 31 101B 23 60,-2.6 62,-2.1 -2,-0.4 2,-0.4 -0.989 8.1-160.8-124.1 129.5 17.8 50.6 -0.0 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.9 -2,-0.4 -11,-0.3 -0.956 11.4-166.5-119.4 129.3 19.0 47.6 1.9 42 42 A Y E -Gf 54 103B 26 60,-3.2 62,-2.6 -2,-0.4 2,-0.6 -0.745 20.7-130.2-115.8 154.3 17.6 44.1 1.4 43 43 A D E -Gf 53 104B 22 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.911 14.2-173.9-100.2 116.5 17.8 40.8 3.2 44 44 A A > - 0 0 3 60,-2.8 3,-2.4 -2,-0.6 5,-0.2 0.514 30.0-142.3 -91.3 -0.8 18.7 37.9 0.9 45 45 A K T 3 - 0 0 109 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.806 63.5 -55.8 53.8 40.6 18.0 35.5 3.8 46 46 A Y T 3 S+ 0 0 108 59,-2.4 -1,-0.3 1,-0.3 60,-0.2 0.494 114.3 113.3 67.4 13.9 21.0 33.1 3.0 47 47 A R < - 0 0 170 -3,-2.4 60,-2.0 58,-0.3 -1,-0.3 -0.453 69.5-131.8-105.9 174.4 19.7 32.6 -0.6 48 48 A T S S+ 0 0 84 58,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.364 72.5 110.4-106.9 5.6 21.3 33.6 -3.9 49 49 A T S S- 0 0 93 -5,-0.2 -2,-0.2 2,-0.1 58,-0.1 -0.636 71.4-102.9 -79.9 135.1 18.1 35.1 -5.3 50 50 A L S S- 0 0 58 -2,-0.3 -2,-0.1 1,-0.2 -6,-0.0 -0.905 80.0 -1.4-120.6 149.0 18.4 38.9 -5.5 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.974 77.7-166.8 -89.8 -10.8 17.6 41.3 -4.3 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.834 48.5 -28.9 99.6-151.0 15.6 39.6 -1.6 53 53 A S E -G 43 0B 51 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.858 66.1-104.3-109.9 138.5 13.2 41.6 0.7 54 54 A L E -G 42 0B 30 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.3 -0.413 55.1 -97.0 -61.8 139.5 13.6 45.3 1.6 55 55 A W - 0 0 11 -14,-2.9 -25,-2.1 -25,-0.3 2,-0.4 -0.443 48.4-171.8 -71.5 122.6 14.8 45.1 5.2 56 56 A A E -D 29 0A 45 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.923 6.1-177.4-116.4 138.6 11.9 45.6 7.6 57 57 A D E -D 28 0A 21 -29,-2.9 -29,-3.1 -2,-0.4 3,-0.1 -0.994 24.3-140.7-137.7 143.8 12.1 46.1 11.3 58 58 A A S S+ 0 0 77 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.805 94.8 19.6 -76.9 -31.0 9.4 46.4 14.0 59 59 A D S S- 0 0 91 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.326 94.7-114.2-127.7 14.6 10.9 49.0 16.3 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.696 81.4 113.7 65.0 24.7 13.7 51.0 14.5 61 61 A Q E -b 9 0A 98 -53,-0.2 2,-0.5 -51,-0.0 -2,-0.3 -0.987 47.5-166.9-122.9 122.6 16.4 49.6 16.8 62 62 A F E +b 10 0A 0 -53,-3.6 -51,-2.2 -2,-0.4 9,-0.1 -0.562 41.9 124.8-120.1 71.6 19.0 47.3 15.0 63 63 A F + 0 0 57 -2,-0.5 -1,-0.2 -53,-0.2 2,-0.1 0.359 38.0 111.0-109.0 7.2 20.9 45.6 17.8 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.0 1,-0.1 4,-0.9 -0.474 75.3-124.5 -77.5 150.1 20.3 41.9 16.8 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.926 114.2 58.1 -66.9 -27.5 23.4 40.1 15.5 66 66 A Y G 34 S+ 0 0 70 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.793 104.2 54.5 -66.0 -27.1 21.4 39.2 12.3 67 67 A D G X> S+ 0 0 16 -3,-1.0 4,-2.1 1,-0.2 3,-0.8 0.737 84.8 86.5 -74.6 -27.8 21.0 43.0 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.846 113.3 51.7 -65.3 -30.7 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.6 -4,-0.4 5,-0.3 0.894 106.2 54.2 -70.4 -45.9 22.5 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 -60,-0.2 5,-0.2 0.959 114.7 39.8 -49.2 -55.5 23.3 48.3 9.5 72 72 A D H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.912 113.2 53.2 -69.6 -33.7 26.8 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.920 115.6 42.1 -62.6 -45.4 25.8 48.1 4.4 74 74 A H H X S+ 0 0 4 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.939 118.9 44.1 -66.0 -45.2 23.2 50.8 4.7 75 75 A Y H X S+ 0 0 91 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.934 113.9 47.4 -69.6 -45.1 25.4 53.2 6.6 76 76 A Y H X S+ 0 0 4 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.851 106.3 57.3 -75.8 -22.0 28.6 52.8 4.5 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.4 -1,-0.2 0.914 108.0 49.9 -65.9 -37.1 26.7 53.2 1.2 78 78 A G H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.927 110.5 48.7 -65.9 -47.0 25.6 56.6 2.7 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.914 112.3 48.7 -61.0 -40.7 29.2 57.6 3.6 80 80 A T H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.914 110.5 50.6 -68.1 -40.1 30.4 56.6 0.1 81 81 A Y H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 11,-0.3 0.911 111.3 49.5 -61.6 -43.3 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 39 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.886 108.2 53.4 -63.9 -39.5 28.6 61.6 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 5,-0.7 0.961 111.8 43.8 -58.3 -55.7 32.3 61.3 -0.3 84 84 A Y H X5S+ 0 0 8 -4,-2.1 6,-2.6 1,-0.2 4,-0.9 0.857 118.7 45.0 -60.7 -35.0 31.5 61.4 -4.0 85 85 A K H X5S+ 0 0 89 -4,-2.0 4,-0.9 4,-0.3 -1,-0.2 0.921 120.7 35.8 -72.4 -53.8 29.0 64.2 -3.7 86 86 A N H <5S+ 0 0 91 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.824 128.2 32.6 -72.7 -35.3 31.1 66.4 -1.3 87 87 A V H <5S+ 0 0 56 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.810 135.6 19.2 -88.9 -41.8 34.6 65.8 -2.7 88 88 A H H < S- 0 0 8 -2,-0.9 3,-0.8 -11,-0.3 7,-0.1 -0.031 92.1 -55.6 66.3-169.8 25.5 58.7 -7.0 93 93 A Y T 3 S+ 0 0 23 5,-0.3 -1,-0.2 1,-0.3 58,-0.2 0.843 136.9 44.4 -80.2 -28.4 27.3 56.3 -9.4 94 94 A D T 3 S- 0 0 48 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.2 0.444 110.0-116.9 -89.7 -2.7 25.6 57.3 -12.6 95 95 A G S < S+ 0 0 36 -3,-0.8 -4,-0.2 -4,-0.4 -3,-0.2 0.538 102.4 80.5 81.8 6.1 26.0 61.1 -11.8 96 96 A N S S- 0 0 126 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 0.011 113.2 -94.3-133.1 31.8 22.2 61.5 -11.8 97 97 A N - 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0 0 72 -4,-0.4 15,-2.1 15,-0.3 2,-1.4 -0.620 25.0-158.3 -91.8 114.2 30.2 33.3 1.4 111 111 A N + 0 0 53 -2,-0.7 2,-0.3 13,-0.2 -1,-0.1 -0.349 60.7 61.4 -83.2 53.4 33.5 35.0 1.5 112 112 A N - 0 0 77 -2,-1.4 11,-2.3 18,-0.0 2,-0.3 -0.983 54.0-153.3-166.7 169.3 33.0 37.8 -0.9 113 113 A A E +I 122 0B 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.962 25.1 173.7-147.5 147.5 31.1 41.0 -1.7 114 114 A F E -I 121 0B 45 7,-2.8 7,-1.8 -2,-0.3 2,-0.5 -0.992 39.4-121.9-162.0 153.7 30.5 42.4 -5.2 115 115 A W E -I 120 0B 22 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.805 27.5-165.7 -85.7 121.5 28.9 45.0 -7.4 116 116 A N - 0 0 67 3,-2.7 4,-0.1 -2,-0.5 -1,-0.1 0.138 52.8 -89.5 -96.2 12.3 26.9 42.8 -9.9 117 117 A G S S+ 0 0 37 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.171 124.1 38.6 102.3 -25.3 26.2 45.6 -12.5 118 118 A S S S- 0 0 87 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.505 122.3 -4.9-129.6 -25.0 22.9 46.7 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.7 -5,-0.0 -1,-0.4 -0.975 71.6 -88.1-162.7 171.1 23.4 46.5 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-2.0 -2,-0.3 2,-0.4 -0.615 33.1-166.2 -92.3 146.4 25.8 45.5 -4.1 121 121 A V E -hI 103 114B 0 -7,-1.8 -7,-2.8 -2,-0.3 2,-0.4 -0.997 3.2-168.3-132.9 131.0 25.8 42.0 -2.7 122 122 A Y E - 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0 0 86 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.818 29.6-127.1 -83.4 121.3 57.8 63.5 -3.7 257 257 A G - 0 0 31 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.441 21.8-170.6 -70.5 149.6 54.4 62.9 -2.3 258 258 A I - 0 0 28 -14,-3.0 4,-0.4 1,-0.1 -13,-0.2 0.388 46.4-107.6-119.0 -1.6 51.6 65.4 -3.0 259 259 A G > - 0 0 24 -14,-2.0 4,-2.0 -15,-0.5 3,-0.2 0.201 27.5 -77.6 102.1 170.5 49.0 64.1 -0.7 260 260 A R H > S+ 0 0 89 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.764 119.6 58.2 -79.2 -41.5 45.7 62.2 -0.7 261 261 A D H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.937 111.5 40.6 -54.8 -50.5 43.4 65.0 -1.8 262 262 A K H > S+ 0 0 75 -4,-0.4 4,-2.7 -3,-0.2 5,-0.2 0.860 111.3 59.1 -68.9 -34.6 45.4 65.7 -5.0 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.930 108.0 45.5 -55.0 -50.8 45.7 62.0 -5.6 264 264 A G H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.909 112.7 50.2 -60.4 -44.1 41.9 61.7 -5.6 265 265 A K H X S+ 0 0 101 -4,-1.9 4,-1.8 1,-0.2 5,-0.2 0.918 112.2 47.1 -67.1 -39.5 41.4 64.7 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.901 116.8 41.9 -63.6 -51.2 44.0 63.5 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.832 112.8 53.0 -70.1 -32.5 42.6 59.9 -10.6 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.924 112.3 45.9 -67.1 -38.9 38.9 61.0 -10.6 269 269 A R H X>S+ 0 0 75 -4,-1.8 4,-2.1 -5,-0.2 5,-0.5 0.923 113.1 49.8 -66.1 -45.5 39.6 63.3 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.1 5,-2.1 -5,-0.2 4,-2.0 0.968 113.9 46.4 -60.4 -42.7 41.6 60.6 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.3 1,-0.2 -2,-0.2 0.887 119.1 37.9 -66.9 -39.3 38.8 58.1 -14.8 272 272 A T H <5S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.651 130.1 23.7 -95.2 -11.8 35.9 60.3 -15.8 273 273 A Q H <5S+ 0 0 119 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.642 128.9 23.7-125.0 -21.2 37.5 62.2 -18.8 274 274 A Y T < - 0 0 65 -2,-0.1 3,-1.7 -122,-0.1 -123,-0.1 -0.820 41.8 -86.9-127.0 177.0 38.2 54.2 -22.1 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.713 124.5 36.7 -61.4 -29.4 37.2 50.5 -21.9 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.121 79.3 145.1-114.7 22.3 40.5 49.1 -23.2 279 279 A S < - 0 0 4 -3,-1.7 -115,-0.2 -126,-0.1 2,-0.1 -0.298 32.9-155.9 -57.7 141.1 42.9 51.5 -21.6 280 280 A N > - 0 0 63 -120,-0.1 4,-2.3 -119,-0.1 5,-0.1 -0.448 35.6 -87.8-109.2-174.9 46.2 49.7 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 127.2 53.9 -64.4 -38.4 48.8 50.8 -18.0 282 282 A S H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 109.8 47.9 -58.9 -39.9 50.7 53.0 -20.4 283 283 A Q H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 107.6 56.1 -71.7 -28.4 47.5 54.8 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.921 105.8 51.3 -66.6 -40.0 46.7 55.2 -17.6 285 285 A R H X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.955 111.7 46.8 -60.4 -47.9 50.0 56.9 -17.1 286 286 A A H X S+ 0 0 63 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.884 112.9 50.0 -58.0 -40.0 49.2 59.3 -20.0 287 287 A A H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.909 111.5 47.1 -66.3 -41.3 45.8 60.0 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.923 113.2 49.0 -70.6 -37.8 47.1 60.7 -15.1 289 289 A V H X S+ 0 0 22 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.929 112.5 47.3 -64.7 -48.0 49.8 63.0 -16.4 290 290 A Q H X S+ 0 0 83 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.910 112.6 50.5 -59.9 -41.1 47.3 64.9 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 111.2 46.7 -61.2 -46.6 44.9 65.2 -15.6 292 292 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.891 112.5 52.3 -61.6 -39.9 47.6 66.5 -13.4 293 293 A T H X S+ 0 0 36 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.956 108.4 49.8 -59.5 -49.2 48.5 68.9 -16.2 294 294 A D H < S+ 0 0 59 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 120.0 36.7 -54.5 -44.8 44.9 70.1 -16.5 295 295 A L H < S+ 0 0 69 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.819 134.2 16.0 -80.9 -39.0 44.6 70.8 -12.8 296 296 A Y H < S- 0 0 61 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.557 106.7 -95.7-119.4 -2.6 48.1 72.1 -11.8 297 297 A G >< - 0 0 33 -4,-2.5 3,-1.9 -5,-0.4 6,-0.4 0.136 36.9 -90.0 96.1 141.8 50.1 73.1 -15.0 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.643 125.0 47.5 -64.9 -14.9 52.6 71.1 -17.0 299 299 A T T 3 S+ 0 0 137 -3,-0.1 -1,-0.3 -6,-0.1 2,-0.1 0.138 87.4 121.2-113.7 23.9 55.6 72.3 -14.9 300 300 A S S <> S- 0 0 19 -3,-1.9 4,-1.8 1,-0.1 5,-0.1 -0.373 74.0-120.1 -79.8 161.7 54.0 71.7 -11.5 301 301 A Q H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.846 113.4 63.0 -64.5 -30.6 55.4 69.4 -8.8 302 302 A E H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 104.4 44.7 -63.4 -44.4 52.2 67.4 -9.1 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.917 112.2 53.6 -63.5 -40.7 52.9 66.5 -12.7 304 304 A A H X S+ 0 0 43 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.923 108.5 48.7 -62.4 -40.1 56.5 65.6 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.853 107.5 54.0 -70.3 -38.5 55.4 63.3 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.934 111.2 47.3 -60.1 -45.1 52.9 61.4 -11.2 307 307 A K H X S+ 0 0 89 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.917 112.6 47.9 -60.5 -44.3 55.8 60.8 -13.7 308 308 A Q H X S+ 0 0 77 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.847 108.9 54.4 -64.0 -39.6 58.2 59.6 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.887 111.7 43.2 -62.2 -46.7 55.7 57.3 -9.5 310 310 A F H X>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 4,-0.7 0.896 113.2 53.1 -66.8 -36.5 55.0 55.5 -12.8 311 311 A D H ><5S+ 0 0 46 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.932 105.9 54.5 -59.7 -41.7 58.7 55.4 -13.5 312 312 A A H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.796 111.5 42.9 -63.1 -33.0 59.2 53.8 -10.1 313 313 A V H 3<5S- 0 0 0 -4,-1.2 -96,-3.5 -3,-0.3 -1,-0.3 0.397 119.0-110.9 -99.4 13.1 56.8 51.0 -10.9 314 314 A G T <<5 + 0 0 12 -3,-1.0 2,-0.7 -4,-0.7 -3,-0.2 0.703 68.6 141.4 78.7 23.3 58.2 50.6 -14.4 315 315 A V < 0 0 3 -5,-2.7 -1,-0.2 1,-0.1 -2,-0.1 -0.852 360.0 360.0-101.5 114.1 55.2 51.8 -16.3 316 316 A K 0 0 152 -2,-0.7 -1,-0.1 -5,-0.1 -5,-0.1 0.502 360.0 360.0-103.3 360.0 56.2 53.9 -19.4