==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-APR-99 1QF1 . COMPND 2 MOLECULE: PROTEIN (THERMOLYSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR J.-F.GAUCHER,M.SELKTI,G.TIRABOSCHI,T.PRANGE,B.P.ROQUES, . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.8 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 . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.5 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 93 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 146.8 8.3 52.0 -0.1 2 2 A T + 0 0 135 23,-0.0 2,-0.3 21,-0.0 21,-0.0 -0.829 360.0 103.3 -92.0 129.7 6.3 55.1 0.5 3 3 A G - 0 0 36 -2,-0.5 2,-0.5 23,-0.0 22,-0.2 -0.966 69.8 -52.3-176.7-166.4 6.4 56.2 4.1 4 4 A T E -A 24 0A 98 20,-2.5 20,-3.4 -2,-0.3 2,-0.2 -0.806 49.5-123.9 -98.2 129.3 7.8 58.7 6.7 5 5 A S E +A 23 0A 65 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.461 44.8 154.5 -69.3 138.6 11.6 59.2 6.9 6 6 A T E -A 22 0A 50 16,-2.7 16,-2.1 -2,-0.2 2,-0.4 -0.838 39.9-106.9-151.2-175.7 13.0 58.5 10.4 7 7 A V E -A 21 0A 78 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.990 28.8-175.1-129.2 122.6 16.2 57.5 12.2 8 8 A G E -A 20 0A 3 12,-3.2 12,-2.3 -2,-0.4 2,-0.4 -0.528 16.4-132.7-104.2 179.2 16.8 54.1 13.8 9 9 A V E +Ab 19 61A 31 51,-1.8 53,-3.0 10,-0.3 2,-0.3 -0.988 31.7 150.2-136.0 141.5 19.7 52.8 15.8 10 10 A G E -Ab 18 62A 0 8,-2.5 8,-2.5 -2,-0.4 2,-0.4 -0.915 40.4-103.1-154.5-174.5 21.6 49.6 15.6 11 11 A R E -A 17 0A 107 51,-2.1 6,-0.2 -2,-0.3 60,-0.2 -0.969 33.1-140.8-123.4 131.1 24.9 47.9 16.1 12 12 A G > - 0 0 3 4,-3.1 3,-2.1 -2,-0.4 56,-0.2 -0.154 37.8 -82.8 -82.5-176.9 27.3 47.0 13.2 13 13 A V T 3 S+ 0 0 31 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.843 129.4 50.7 -54.6 -38.3 29.4 43.9 12.5 14 14 A L T 3 S- 0 0 73 121,-0.1 -1,-0.3 54,-0.1 3,-0.1 0.353 122.1-104.7 -85.4 8.7 32.2 45.2 14.7 15 15 A G S < S+ 0 0 43 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.545 74.1 142.0 82.7 7.0 29.8 45.9 17.6 16 16 A D - 0 0 49 1,-0.0 -4,-3.1 -5,-0.0 2,-0.4 -0.597 49.0-127.1 -85.5 141.0 29.8 49.6 17.1 17 17 A Q E +A 11 0A 119 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.706 37.2 162.5 -88.3 136.5 26.6 51.6 17.6 18 18 A K E -A 10 0A 17 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.3 -0.986 36.1-114.9-151.7 156.9 25.4 53.9 14.9 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.730 30.8-164.0 -92.0 143.7 22.2 55.7 13.7 20 20 A I E -A 8 0A 3 -12,-2.3 -12,-3.2 -2,-0.3 2,-0.5 -0.968 22.4-116.9-132.4 145.7 20.7 54.7 10.4 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.703 44.1 169.9 -81.6 121.1 18.1 56.4 8.1 22 22 A T E -A 6 0A 1 -16,-2.1 -16,-2.7 -2,-0.5 2,-0.4 -0.687 28.9-126.8-125.3 175.4 15.0 54.3 7.8 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.2 -18,-0.2 2,-0.5 -0.999 18.1-142.6-129.8 133.4 11.5 54.7 6.4 24 24 A Y E +AC 4 28A 99 -20,-3.4 -20,-2.5 -2,-0.4 4,-0.2 -0.835 41.0 135.1-103.1 127.4 8.3 54.1 8.4 25 25 A S S S- 0 0 47 2,-2.6 2,-2.2 -2,-0.5 -23,-0.0 -0.533 95.5 -47.3-167.6 82.1 5.2 52.4 6.9 26 26 A T S S+ 0 0 113 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.373 140.2 35.6 78.4 -55.2 3.8 49.8 9.3 27 27 A Y S S- 0 0 115 -2,-2.2 -2,-2.6 -4,-0.1 2,-0.5 -0.696 94.9-109.7-113.5 168.6 7.4 48.4 9.6 28 28 A Y E -CD 24 57A 54 29,-3.5 29,-2.6 -2,-0.2 2,-0.3 -0.914 39.7-157.0-101.2 126.4 10.6 50.4 9.7 29 29 A Y E -CD 23 56A 40 -6,-3.2 2,-2.4 -2,-0.5 -6,-1.8 -0.802 27.3-115.7-108.0 149.2 12.5 49.7 6.4 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.1 11,-0.3 2,-0.4 -0.556 72.2 129.8 -79.9 75.2 16.2 50.1 5.6 31 31 A Q E -E 40 0B 9 -2,-2.4 2,-0.7 9,-0.2 9,-0.2 -0.969 45.0-158.8-135.8 114.0 15.4 52.8 3.1 32 32 A D E +E 39 0B 3 7,-2.8 7,-1.5 -2,-0.4 3,-0.4 -0.883 12.8 177.0 -98.5 112.0 17.3 56.1 3.3 33 33 A N + 0 0 58 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.452 66.8 79.0 -91.7 -5.7 15.4 58.8 1.6 34 34 A T S S+ 0 0 88 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.519 85.3 63.7 -81.7 -6.9 17.9 61.6 2.5 35 35 A R S > S- 0 0 47 -3,-0.4 3,-2.3 1,-0.1 -1,-0.1 -0.947 111.6 -64.8-126.2 113.7 20.4 60.7 -0.3 36 36 A G T 3 S- 0 0 29 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.162 112.3 -19.0 51.8-136.4 19.5 61.0 -3.9 37 37 A D T 3 S- 0 0 109 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.191 118.9 -81.7 -86.3 14.7 16.8 58.6 -5.0 38 38 A G < - 0 0 1 -3,-2.3 62,-2.5 60,-0.1 2,-0.5 -0.091 27.8-107.9 108.0 154.7 17.4 56.5 -1.9 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.8 60,-0.2 2,-0.4 -0.998 35.7-169.6-121.8 122.8 19.6 53.8 -0.4 40 40 A F E -Ef 31 101B 20 60,-3.2 62,-2.1 -2,-0.5 2,-0.4 -0.979 6.6-163.6-121.0 130.2 17.9 50.4 -0.1 41 41 A T E - f 0 102B 0 -11,-2.1 14,-2.6 -2,-0.4 -11,-0.3 -0.935 12.2-163.6-116.9 134.2 19.2 47.4 1.8 42 42 A Y E -Gf 54 103B 27 60,-3.1 62,-2.5 -2,-0.4 2,-0.6 -0.802 20.6-127.9-119.1 159.9 17.8 43.9 1.3 43 43 A D E -Gf 53 104B 24 10,-2.8 10,-2.2 -2,-0.3 62,-0.2 -0.911 14.9-175.1-106.0 115.0 17.8 40.6 3.1 44 44 A A > - 0 0 3 60,-2.7 3,-2.2 -2,-0.6 5,-0.3 0.473 30.8-142.3 -86.7 -6.0 18.8 37.7 0.8 45 45 A K T 3 - 0 0 105 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.748 61.7 -58.3 50.7 38.7 18.0 35.3 3.6 46 46 A Y T 3 S+ 0 0 106 59,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.580 116.1 108.6 70.8 10.6 21.0 32.9 2.9 47 47 A R S < S- 0 0 176 -3,-2.2 60,-2.4 58,-0.4 -1,-0.3 -0.523 72.5-127.6-108.9 177.9 19.7 32.4 -0.6 48 48 A T S S+ 0 0 83 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.374 70.4 111.0-108.4 1.3 21.1 33.5 -4.0 49 49 A T S S- 0 0 93 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.597 70.4-101.6 -76.5 136.7 18.0 35.1 -5.5 50 50 A L S S- 0 0 58 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.885 81.3 -1.8-121.2 152.0 18.5 38.9 -5.7 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.985 80.6-168.9 -82.7 -12.0 17.7 41.4 -4.4 52 52 A G - 0 0 32 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.760 47.9 -22.3 99.3-149.3 15.6 39.5 -1.8 53 53 A S E -G 43 0B 49 -10,-2.2 -10,-2.8 -2,-0.3 -8,-0.1 -0.824 67.2-108.3-103.3 137.3 13.2 41.4 0.5 54 54 A L E -G 42 0B 31 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.387 55.0 -94.7 -59.6 130.3 13.6 45.1 1.4 55 55 A W - 0 0 10 -14,-2.6 -25,-1.9 -25,-0.2 2,-0.4 -0.334 48.7-170.3 -56.8 117.0 14.8 44.9 5.1 56 56 A A E +D 29 0A 47 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.895 7.9 178.5-112.9 136.2 11.8 45.3 7.4 57 57 A D E -D 28 0A 22 -29,-2.6 -29,-3.5 -2,-0.4 5,-0.1 -0.993 24.1-143.9-136.7 142.2 12.1 45.8 11.2 58 58 A A S S+ 0 0 73 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.803 93.5 23.1 -77.4 -30.3 9.3 46.2 13.8 59 59 A D S S- 0 0 88 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.343 96.5-113.9-122.9 5.9 10.8 48.7 16.2 60 60 A N S S+ 0 0 17 1,-0.2 -51,-1.8 -32,-0.2 2,-0.5 0.702 81.8 115.6 68.6 19.8 13.5 50.7 14.4 61 61 A Q E -b 9 0A 100 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.990 45.1-170.6-121.7 125.4 16.2 49.1 16.7 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-2.1 -2,-0.5 9,-0.1 -0.524 40.4 123.9-119.3 67.7 18.8 46.9 15.0 63 63 A F + 0 0 71 -2,-0.3 2,-0.2 -53,-0.2 -1,-0.1 0.306 40.5 110.5-106.5 5.3 20.8 45.2 17.7 64 64 A A S >> S- 0 0 50 -3,-0.2 4,-1.1 1,-0.1 3,-0.8 -0.537 76.3-122.0 -78.3 150.9 20.2 41.5 16.7 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.895 114.7 57.0 -60.6 -37.6 23.2 39.6 15.3 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.795 104.4 55.0 -62.5 -28.9 21.2 39.0 12.1 67 67 A D G X> S+ 0 0 16 -3,-0.8 4,-2.2 1,-0.2 3,-1.0 0.789 84.6 85.3 -73.3 -33.6 20.8 42.8 11.8 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.827 113.7 51.0 -61.9 -32.7 25.5 43.2 8.3 70 70 A A H <> S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.4 5,-0.3 0.925 107.4 52.7 -69.7 -44.4 22.4 45.1 7.1 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 -60,-0.2 5,-0.2 0.939 114.4 42.0 -55.4 -51.2 23.2 48.1 9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.883 112.9 50.9 -66.8 -42.6 26.7 48.4 8.1 73 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.926 116.2 43.4 -60.9 -42.5 25.9 47.9 4.4 74 74 A H H X S+ 0 0 3 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.958 118.5 43.6 -66.2 -52.0 23.2 50.6 4.7 75 75 A Y H X S+ 0 0 94 -4,-3.0 4,-1.9 -5,-0.3 -2,-0.2 0.915 115.3 45.9 -62.7 -48.0 25.3 53.0 6.8 76 76 A Y H X S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.791 107.1 57.9 -69.9 -28.8 28.5 52.7 4.7 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.907 107.4 50.9 -64.2 -39.3 26.7 53.0 1.4 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.939 110.2 47.2 -62.3 -46.4 25.5 56.3 2.9 79 79 A V H X S+ 0 0 16 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.889 111.8 51.0 -62.4 -40.7 29.0 57.4 3.8 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.896 108.6 51.7 -64.5 -39.9 30.3 56.4 0.3 81 81 A Y H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 11,-0.3 0.934 109.3 50.5 -61.9 -45.0 27.5 58.4 -1.3 82 82 A D H X S+ 0 0 40 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.881 107.1 54.8 -61.1 -40.3 28.5 61.5 0.8 83 83 A Y H X>S+ 0 0 10 -4,-2.1 4,-2.8 1,-0.2 5,-0.9 0.958 111.1 43.1 -57.9 -53.4 32.1 61.1 -0.2 84 84 A Y H X5S+ 0 0 4 -4,-2.0 6,-2.7 3,-0.2 4,-0.8 0.890 119.4 43.9 -62.4 -38.3 31.4 61.1 -4.0 85 85 A K H X5S+ 0 0 88 -4,-2.3 4,-1.2 4,-0.3 -2,-0.2 0.975 122.3 35.7 -69.6 -54.9 28.9 64.0 -3.6 86 86 A N H <5S+ 0 0 89 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.864 129.1 30.8 -68.5 -43.1 30.9 66.2 -1.3 87 87 A V H <5S+ 0 0 45 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.1 0.865 135.5 21.9 -87.5 -40.4 34.4 65.5 -2.6 88 88 A H H < - 0 0 62 -2,-0.5 6,-2.4 4,-0.3 4,-0.6 -0.772 65.8 -46.0 -90.7 100.8 25.4 62.4 -7.4 92 92 A S T >4 S- 0 0 5 -2,-1.0 3,-0.8 -11,-0.3 5,-0.1 0.012 92.9 -55.8 63.7-175.8 25.4 58.6 -6.8 93 93 A Y T 34 S+ 0 0 21 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.756 138.6 44.9 -69.7 -27.6 27.2 56.2 -9.1 94 94 A D T 34 S- 0 0 47 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.473 109.6-117.4 -94.0 -4.3 25.5 57.3 -12.3 95 95 A G S << S+ 0 0 31 -3,-0.8 -4,-0.3 -4,-0.6 -3,-0.2 0.457 102.3 78.0 83.0 -0.1 25.9 61.0 -11.6 96 96 A N S S- 0 0 121 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.068 114.7 -93.1-130.8 32.3 22.1 61.5 -11.6 97 97 A N - 0 0 34 -6,-2.4 -60,-1.5 1,-0.1 -5,-0.2 0.793 54.3-172.8 62.5 38.2 21.2 60.1 -8.1 98 98 A A - 0 0 16 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.1 -0.231 35.7 -95.4 -60.0 143.9 20.4 56.5 -9.1 99 99 A A - 0 0 16 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.353 36.0-136.9 -60.7 141.2 19.0 54.4 -6.2 100 100 A I E -f 39 0B 2 -62,-2.5 -60,-3.2 -3,-0.1 2,-0.4 -0.915 23.3-172.6-105.9 121.1 21.7 52.4 -4.4 101 101 A R E +f 40 0B 91 -2,-0.6 19,-2.3 17,-0.3 2,-0.3 -0.930 7.5 177.2-118.4 139.2 20.7 48.9 -3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-3.1 -2,-0.4 2,-0.4 -0.995 12.9-156.7-138.0 143.8 22.6 46.3 -1.4 103 103 A S E -fh 42 121B 0 17,-1.9 19,-2.4 -2,-0.3 2,-0.2 -0.964 12.4-168.7-121.5 134.6 21.7 42.8 -0.4 104 104 A V E +f 43 0B 1 -62,-2.5 -60,-2.7 -2,-0.4 -59,-0.3 -0.723 63.9 43.4-116.0 169.9 23.2 41.1 2.7 105 105 A H S S+ 0 0 6 17,-0.3 -59,-2.7 -2,-0.2 2,-0.5 0.878 74.5 176.9 60.7 37.3 23.1 37.5 3.9 106 106 A Y - 0 0 38 16,-2.0 18,-0.5 -3,-0.2 4,-0.4 -0.654 50.4 -34.7 -76.1 122.9 23.8 36.4 0.4 107 107 A S S S- 0 0 34 -60,-2.4 2,-0.4 -2,-0.5 -60,-0.1 -0.057 92.2 -61.1 60.0-163.8 24.2 32.6 0.3 108 108 A Q S S- 0 0 152 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.986 109.6 -10.9-123.2 127.2 25.8 30.6 3.1 109 109 A G S S+ 0 0 42 -2,-0.4 2,-0.6 16,-0.4 17,-0.3 0.820 83.8 174.7 56.7 35.5 29.4 31.1 4.2 110 110 A Y - 0 0 69 -4,-0.4 15,-1.9 15,-0.3 2,-1.2 -0.625 22.2-158.4 -81.1 115.3 30.0 33.2 1.2 111 111 A N + 0 0 52 -2,-0.6 2,-0.3 14,-0.2 -1,-0.1 -0.382 61.3 54.2 -90.7 57.2 33.5 34.7 1.4 112 112 A N - 0 0 77 -2,-1.2 11,-2.2 2,-0.0 2,-0.3 -0.984 55.2-149.3-171.9 171.7 33.0 37.7 -1.0 113 113 A A E +I 122 0B 3 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.946 25.1 171.1-146.6 152.6 31.2 40.8 -2.0 114 114 A F E -I 121 0B 52 7,-2.1 7,-2.5 -2,-0.3 2,-0.5 -0.996 37.3-117.7-163.3 162.7 30.6 42.2 -5.4 115 115 A W E -I 120 0B 28 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.929 25.2-166.4-101.4 126.9 28.9 44.7 -7.6 116 116 A N - 0 0 68 3,-2.9 4,-0.1 -2,-0.5 -1,-0.1 0.358 52.2 -91.7-104.4 12.9 26.8 42.8 -10.1 117 117 A G S S+ 0 0 35 2,-0.3 3,-0.1 0, 0.0 -2,-0.0 0.215 124.2 41.0 98.1 -14.5 26.1 45.6 -12.6 118 118 A S S S- 0 0 80 1,-0.5 -17,-0.3 -17,-0.0 2,-0.3 0.534 121.9 -7.5-131.8 -33.4 22.8 46.5 -10.8 119 119 A E - 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0 0 24 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.684 62.1 -99.5 -95.7 146.5 50.9 40.7 -5.0 214 214 A P - 0 0 10 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.352 27.5-174.4 -64.6 141.5 53.3 42.3 -7.6 215 215 A D S S+ 0 0 14 1,-0.1 2,-0.3 -7,-0.1 18,-0.0 0.088 72.7 47.0-119.3 16.3 54.6 45.8 -6.8 216 216 A H S > S- 0 0 38 98,-0.1 3,-1.9 1,-0.0 98,-0.2 -0.967 81.9-121.4-157.8 143.2 56.3 46.2 -10.1 217 217 A Y G > S+ 0 0 59 96,-3.1 3,-1.3 -2,-0.3 97,-0.1 0.730 109.8 64.3 -58.1 -28.4 55.3 45.6 -13.8 218 218 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.709 103.0 50.1 -70.0 -19.0 58.1 43.1 -14.3 219 219 A K G < S+ 0 0 120 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.198 83.2 138.8-103.9 16.3 56.5 40.9 -11.7 220 220 A R < - 0 0 92 -3,-1.3 2,-0.4 1,-0.1 -3,-0.1 -0.249 58.3-113.6 -65.4 149.0 53.0 41.0 -13.3 221 221 A Y - 0 0 61 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.695 30.5-178.4 -82.1 128.2 50.9 37.9 -13.5 222 222 A T + 0 0 117 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.347 46.0 99.1-112.5 6.5 50.3 36.8 -17.1 223 223 A G S S- 0 0 27 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.021 79.3-108.2 -80.8-167.1 48.1 33.7 -16.6 224 224 A T S >> S+ 0 0 128 4,-0.1 4,-0.6 3,-0.1 3,-0.6 0.487 76.6 110.9-104.0 -8.7 44.4 33.2 -16.9 225 225 A Q H >> S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 3,-1.0 -0.298 80.6 20.2 -64.5 154.9 43.4 32.7 -13.3 226 226 A D H 3> S- 0 0 53 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.868 138.7 -58.4 54.5 45.1 41.4 35.5 -11.6 227 227 A N H <4 S- 0 0 90 -3,-0.6 -68,-2.3 1,-0.2 -1,-0.3 0.865 115.4 -37.3 53.5 38.2 40.2 36.9 -15.0 228 228 A G H << S- 0 0 4 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.791 115.7 -55.4 85.6 27.5 43.9 37.3 -15.9 229 229 A G H >X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.1 3,-0.9 0.833 77.7 158.5 75.3 40.3 44.9 38.4 -12.4 230 230 A V T 3< S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.3 -63,-0.1 0.834 82.0 39.6 -65.1 -33.5 42.6 41.4 -11.8 231 231 A H T 34 S+ 0 0 53 -5,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.453 122.1 46.3 -90.9 -3.5 43.0 41.1 -8.0 232 232 A I T X4 S+ 0 0 40 -3,-0.9 3,-1.9 -6,-0.2 4,-0.3 0.843 112.6 42.2 -99.7 -59.3 46.8 40.3 -8.4 233 233 A N T >X S+ 0 0 6 -4,-3.0 3,-0.9 1,-0.3 4,-0.8 0.597 96.2 80.0 -68.1 -9.0 48.0 42.9 -10.9 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-2.9 -4,-0.3 -1,-0.3 0.785 78.9 72.5 -67.3 -24.6 46.0 45.6 -9.2 235 235 A G H <> S+ 0 0 2 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.847 90.6 56.8 -58.1 -34.0 48.9 45.6 -6.7 236 236 A I H <> S+ 0 0 0 -3,-0.9 4,-1.5 -4,-0.3 -1,-0.2 0.927 113.3 38.7 -63.9 -44.4 51.0 47.4 -9.3 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.866 113.7 55.3 -75.5 -35.4 48.5 50.2 -9.7 238 238 A N H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.895 108.1 49.3 -62.5 -42.4 47.8 50.3 -5.9 239 239 A K H X S+ 0 0 21 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.906 110.0 51.0 -63.2 -44.6 51.5 50.8 -5.1 240 240 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.910 111.5 47.6 -60.2 -42.6 51.7 53.6 -7.7 241 241 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 111.2 50.7 -65.7 -43.4 48.7 55.3 -6.1 242 242 A Y H X>S+ 0 0 54 -4,-2.5 4,-3.1 -37,-0.2 5,-0.6 0.910 111.7 48.6 -59.5 -44.0 50.1 54.9 -2.6 243 243 A L H X5S+ 0 0 3 -4,-2.6 4,-2.1 3,-0.2 -2,-0.2 0.929 107.9 53.6 -64.0 -43.6 53.4 56.4 -3.9 244 244 A I H <5S+ 0 0 0 -4,-2.6 14,-2.8 1,-0.2 15,-0.4 0.934 119.2 35.6 -56.6 -45.1 51.7 59.4 -5.5 245 245 A S H <5S+ 0 0 4 -4,-2.1 14,-2.1 12,-0.3 -2,-0.2 0.957 133.6 20.5 -74.2 -53.2 50.0 60.2 -2.3 246 246 A Q H <5S- 0 0 88 -4,-3.1 11,-0.4 -5,-0.2 -3,-0.2 0.680 94.1-143.2 -95.7 -20.6 52.5 59.3 0.4 247 247 A G << + 0 0 10 -4,-2.1 2,-0.2 -5,-0.6 9,-0.2 -0.127 32.8 146.1 80.0 177.0 55.8 59.3 -1.5 248 248 A G E -L 255 0E 34 7,-2.4 7,-2.7 -4,-0.1 2,-0.5 -0.780 49.9 -80.4 140.5 174.6 58.7 57.0 -0.9 249 249 A T E +L 254 0E 94 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.973 41.4 179.3-116.1 123.4 61.5 55.2 -2.8 250 250 A H E > S-L 253 0E 18 3,-2.4 3,-2.0 -2,-0.5 -2,-0.0 -0.989 71.2 -13.6-129.1 121.9 60.6 52.1 -4.6 251 251 A Y T 3 S- 0 0 112 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.870 129.7 -53.7 54.5 40.0 63.2 50.1 -6.6 252 252 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.359 113.2 118.5 80.8 -7.5 65.6 53.0 -6.3 253 253 A V E < -L 250 0E 38 -3,-2.0 -3,-2.4 59,-0.1 2,-0.4 -0.849 54.8-145.5 -97.7 122.8 63.1 55.5 -7.8 254 254 A S E -L 249 0E 68 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.701 14.1-171.3 -91.8 135.1 62.1 58.4 -5.5 255 255 A V E -L 248 0E 8 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.6 -0.988 17.0-142.7-127.2 128.7 58.6 59.9 -5.4 256 256 A V - 0 0 86 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.818 29.2-126.1 -88.2 124.3 57.6 63.0 -3.6 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.463 21.4-169.5 -72.9 144.8 54.0 62.5 -2.2 258 258 A I - 0 0 26 -14,-2.8 4,-0.4 1,-0.2 -13,-0.2 0.343 47.6-106.7-111.8 1.3 51.3 65.0 -3.1 259 259 A G > - 0 0 26 -14,-2.1 4,-1.7 -15,-0.4 -1,-0.2 0.022 28.6 -77.8 94.5 161.0 48.7 63.8 -0.6 260 260 A R H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.849 120.1 57.0 -64.8 -42.5 45.4 61.9 -0.7 261 261 A D H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 111.2 42.8 -60.0 -44.0 43.2 64.7 -1.8 262 262 A K H > S+ 0 0 75 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.873 111.3 56.3 -70.8 -34.8 45.2 65.4 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.935 109.9 45.9 -59.4 -46.9 45.5 61.6 -5.6 264 264 A G H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.887 112.5 50.3 -63.2 -41.4 41.7 61.4 -5.5 265 265 A K H X S+ 0 0 89 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.928 113.1 45.6 -62.5 -47.4 41.3 64.4 -7.8 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.934 117.0 43.0 -62.9 -49.5 43.8 63.1 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.875 111.9 53.0 -68.3 -36.4 42.4 59.5 -10.5 268 268 A Y H X S+ 0 0 31 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.922 111.4 47.7 -64.2 -41.0 38.7 60.6 -10.5 269 269 A R H X>S+ 0 0 81 -4,-2.0 4,-2.3 -5,-0.2 5,-0.6 0.922 111.7 49.5 -65.7 -42.2 39.5 62.9 -13.5 270 270 A A H X>S+ 0 0 1 -4,-2.2 5,-2.7 3,-0.2 4,-1.6 0.937 113.2 47.7 -60.8 -46.1 41.3 60.0 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.3 1,-0.2 -2,-0.2 0.901 120.1 35.1 -60.8 -48.0 38.4 57.6 -14.7 272 272 A T H <5S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.700 131.1 25.7 -84.8 -21.9 35.7 60.0 -15.8 273 273 A Q H <5S+ 0 0 124 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.760 129.5 21.0-113.3 -32.9 37.4 61.8 -18.6 274 274 A Y T < - 0 0 61 -2,-0.1 3,-1.4 -122,-0.0 -120,-0.1 -0.791 41.5 -89.3-127.5 173.7 38.0 53.7 -21.8 277 277 A P T 3 S+ 0 0 64 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.845 124.8 38.5 -54.6 -35.6 36.8 50.1 -21.7 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.309 80.3 143.0-101.9 10.6 40.1 48.7 -23.1 279 279 A S < - 0 0 4 -3,-1.4 -115,-0.2 -126,-0.1 2,-0.2 -0.180 32.5-158.1 -54.2 134.9 42.6 51.0 -21.4 280 280 A N > - 0 0 61 -120,-0.1 4,-2.2 -119,-0.1 3,-0.2 -0.528 36.6 -88.2-105.8 177.6 45.8 49.2 -20.3 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.880 127.1 52.7 -52.4 -45.7 48.4 50.2 -17.7 282 282 A S H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 110.9 47.2 -60.4 -40.4 50.4 52.4 -20.1 283 283 A Q H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.844 107.5 56.6 -71.4 -32.2 47.2 54.2 -21.1 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.912 105.7 51.8 -63.5 -42.0 46.3 54.7 -17.4 285 285 A R H X S+ 0 0 34 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.945 111.0 46.6 -58.3 -49.1 49.7 56.4 -16.9 286 286 A A H X S+ 0 0 62 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.869 113.2 50.1 -60.7 -38.1 49.0 58.8 -19.9 287 287 A A H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.915 112.2 46.1 -67.4 -44.1 45.5 59.4 -18.5 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.894 113.7 49.2 -65.8 -41.1 46.8 60.2 -15.0 289 289 A V H X S+ 0 0 24 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.935 112.7 47.9 -64.0 -43.9 49.6 62.4 -16.4 290 290 A Q H X S+ 0 0 82 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.914 111.5 50.6 -64.2 -41.6 47.0 64.3 -18.5 291 291 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.918 110.1 48.1 -61.8 -47.8 44.7 64.7 -15.6 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.838 111.9 52.1 -62.2 -32.7 47.4 66.1 -13.3 293 293 A T H X S+ 0 0 37 -4,-1.9 4,-2.4 3,-0.2 -2,-0.2 0.933 109.2 48.3 -68.0 -47.9 48.3 68.5 -16.2 294 294 A D H < S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.905 122.0 36.1 -56.8 -44.7 44.7 69.7 -16.6 295 295 A L H < S+ 0 0 66 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.824 136.1 14.7 -81.1 -34.1 44.5 70.3 -12.9 296 296 A Y H < S- 0 0 67 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.469 105.2-100.7-125.2 -3.0 48.0 71.5 -12.0 297 297 A G >< - 0 0 31 -4,-2.4 3,-1.6 -5,-0.4 6,-0.4 0.154 35.8 -86.2 94.3 147.9 49.9 72.4 -15.1 298 298 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.749 126.0 47.2 -61.5 -29.0 52.5 70.6 -17.1 299 299 A T T 3 S+ 0 0 141 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.211 88.1 123.9 -99.6 16.0 55.4 71.8 -15.0 300 300 A S S <> S- 0 0 17 -3,-1.6 4,-1.7 1,-0.1 -3,-0.1 -0.298 70.8-125.2 -75.4 160.0 53.7 71.0 -11.6 301 301 A Q H > S+ 0 0 98 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.842 112.5 62.2 -68.8 -34.8 55.2 68.8 -8.9 302 302 A E H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 104.5 44.9 -57.3 -47.5 51.9 66.9 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-1.9 -11,-0.2 -1,-0.2 0.906 113.7 51.7 -63.8 -39.8 52.6 65.9 -12.8 304 304 A A H X S+ 0 0 43 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.910 109.1 49.4 -63.8 -42.2 56.2 65.1 -11.7 305 305 A S H X S+ 0 0 1 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.857 108.2 52.5 -66.0 -38.8 55.1 62.8 -8.9 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.928 111.9 47.4 -61.7 -45.8 52.6 60.9 -11.1 307 307 A K H X S+ 0 0 90 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.941 113.0 47.4 -60.6 -49.8 55.5 60.3 -13.6 308 308 A Q H X S+ 0 0 72 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.886 110.9 52.3 -58.4 -43.5 57.9 59.2 -10.9 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.897 111.7 44.7 -62.3 -44.1 55.3 56.8 -9.3 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 -1,-0.2 0.884 113.1 51.7 -70.4 -32.1 54.6 55.1 -12.6 311 311 A D H ><5S+ 0 0 40 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.914 105.6 57.2 -65.9 -42.1 58.3 54.9 -13.3 312 312 A A H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.6 41.7 -58.4 -36.0 58.8 53.3 -9.9 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.1 2,-0.1 -1,-0.3 0.309 118.8-110.5 -95.9 9.8 56.4 50.5 -10.6 314 314 A G T < 5 + 0 0 16 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.726 69.6 140.7 72.9 24.0 57.8 50.1 -14.1 315 315 A V < 0 0 3 -5,-3.0 -1,-0.2 1,-0.2 -2,-0.1 -0.886 360.0 360.0-104.3 110.5 54.8 51.4 -16.1 316 316 A K 0 0 152 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.637 360.0 360.0-105.8 360.0 55.8 53.5 -19.1