==== 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 1QF0 . 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) . 12623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 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 . 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 89 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 144.7 8.3 52.0 0.0 2 2 A T + 0 0 138 21,-0.1 2,-0.3 23,-0.0 21,-0.0 -0.853 360.0 106.6 -94.2 125.9 6.3 55.2 0.6 3 3 A G - 0 0 36 -2,-0.5 2,-0.4 22,-0.0 22,-0.2 -0.926 69.6 -55.7-170.8-163.9 6.4 56.3 4.2 4 4 A T E -A 24 0A 97 20,-2.2 20,-3.2 -2,-0.3 2,-0.2 -0.833 49.8-120.9-101.2 132.8 7.9 58.8 6.7 5 5 A S E +A 23 0A 67 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.496 46.2 155.2 -71.5 137.9 11.6 59.3 6.9 6 6 A T E -A 22 0A 49 16,-2.5 16,-2.0 -2,-0.2 2,-0.4 -0.835 39.3-106.7-150.5-177.3 13.0 58.5 10.4 7 7 A V E -A 21 0A 80 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.991 28.3-174.1-128.2 125.3 16.2 57.5 12.2 8 8 A G E -A 20 0A 2 12,-3.2 12,-2.4 -2,-0.4 2,-0.4 -0.576 15.1-135.1-106.3 176.3 16.8 54.1 13.7 9 9 A V E +Ab 19 61A 33 51,-1.8 53,-2.9 10,-0.3 2,-0.3 -0.985 31.0 148.7-135.9 142.5 19.7 52.9 15.8 10 10 A G E -Ab 18 62A 0 8,-2.7 8,-2.6 -2,-0.4 2,-0.4 -0.919 40.9-102.3-155.9-172.6 21.7 49.7 15.6 11 11 A R E -A 17 0A 107 51,-2.1 6,-0.3 -2,-0.3 60,-0.2 -0.972 33.2-140.6-126.5 130.6 25.0 47.9 16.1 12 12 A G > - 0 0 4 4,-3.2 3,-2.0 -2,-0.4 56,-0.2 -0.155 37.6 -83.1 -81.9-177.7 27.3 47.0 13.2 13 13 A V T 3 S+ 0 0 32 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.831 129.1 50.1 -54.1 -38.7 29.4 43.9 12.5 14 14 A L T 3 S- 0 0 76 121,-0.1 -1,-0.3 54,-0.1 121,-0.0 0.370 122.9-103.0 -86.1 7.1 32.2 45.2 14.7 15 15 A G S < S+ 0 0 43 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.481 74.9 141.0 87.9 3.6 29.9 45.9 17.6 16 16 A D - 0 0 51 -5,-0.1 -4,-3.2 1,-0.0 2,-0.4 -0.584 48.7-128.9 -84.1 138.6 29.8 49.7 17.1 17 17 A Q E +A 11 0A 121 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.3 -0.707 35.5 165.4 -87.7 136.1 26.5 51.5 17.6 18 18 A K E -A 10 0A 13 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.4 -0.968 35.3-116.7-147.2 159.4 25.3 53.9 14.8 19 19 A N E -A 9 0A 104 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.812 31.6-165.3 -96.6 141.4 22.2 55.7 13.7 20 20 A I E -A 8 0A 3 -12,-2.4 -12,-3.2 -2,-0.4 2,-0.5 -0.951 23.6-115.3-129.7 148.1 20.7 54.8 10.4 21 21 A N E +A 7 0A 41 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.721 44.8 169.6 -83.8 120.0 18.2 56.5 8.1 22 22 A T E -A 6 0A 1 -16,-2.0 -16,-2.5 -2,-0.5 2,-0.4 -0.692 28.5-126.4-123.4 176.2 15.1 54.3 7.8 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.2 -18,-0.2 2,-0.5 -0.996 17.9-142.1-128.9 137.2 11.5 54.7 6.4 24 24 A Y E +AC 4 28A 98 -20,-3.2 -20,-2.2 -2,-0.4 4,-0.2 -0.868 40.7 135.3-108.0 128.9 8.3 54.1 8.3 25 25 A S S S- 0 0 48 2,-2.6 2,-2.6 -2,-0.5 -23,-0.0 -0.547 95.5 -48.6-167.1 84.2 5.2 52.5 6.9 26 26 A T S S+ 0 0 114 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.336 139.4 39.1 74.9 -57.1 3.8 49.8 9.3 27 27 A Y S S- 0 0 114 -2,-2.6 -2,-2.6 32,-0.0 2,-0.6 -0.670 94.6-110.4-109.5 169.9 7.4 48.4 9.6 28 28 A Y E -CD 24 57A 54 29,-3.4 29,-2.7 -2,-0.2 2,-0.3 -0.919 39.6-157.7-103.0 122.8 10.6 50.3 9.7 29 29 A Y E -CD 23 56A 40 -6,-3.2 2,-2.5 -2,-0.6 -6,-1.9 -0.821 27.5-118.5-107.2 147.4 12.5 49.8 6.5 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.1 -2,-0.3 2,-0.4 -0.555 71.3 130.1 -79.8 75.2 16.2 50.1 5.7 31 31 A Q E -E 40 0B 10 -2,-2.5 2,-0.7 9,-0.2 9,-0.2 -0.959 44.9-159.2-136.3 112.3 15.4 52.8 3.2 32 32 A D E +E 39 0B 1 7,-2.8 7,-1.6 -2,-0.4 3,-0.5 -0.868 12.3 177.6 -97.8 110.8 17.3 56.1 3.4 33 33 A N + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.485 66.7 79.0 -90.3 -5.8 15.4 58.8 1.6 34 34 A T S S+ 0 0 87 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.549 85.1 64.5 -81.8 -6.7 17.9 61.6 2.5 35 35 A R S > S- 0 0 45 -3,-0.5 3,-2.4 1,-0.1 -1,-0.1 -0.936 111.0 -65.0-125.9 113.8 20.4 60.6 -0.3 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.189 113.3 -18.4 50.9-137.8 19.6 60.9 -4.0 37 37 A D T 3 S- 0 0 109 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.269 119.4 -84.9 -81.1 9.1 16.8 58.5 -5.0 38 38 A G < - 0 0 1 -3,-2.4 62,-2.3 60,-0.1 2,-0.5 -0.170 28.3-103.5 110.6 157.1 17.5 56.5 -1.9 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-2.8 60,-0.2 2,-0.4 -0.998 36.0-170.2-122.0 122.9 19.6 53.8 -0.3 40 40 A F E -Ef 31 101B 22 60,-3.0 62,-2.1 -2,-0.5 2,-0.4 -0.980 7.3-163.7-121.3 130.3 17.9 50.4 0.0 41 41 A T E - f 0 102B 0 -11,-2.1 14,-2.6 -2,-0.4 -11,-0.3 -0.931 12.5-163.3-116.7 132.0 19.2 47.4 1.9 42 42 A Y E -Gf 54 103B 29 60,-3.1 62,-2.5 -2,-0.4 2,-0.6 -0.805 20.1-127.7-116.8 157.6 17.8 43.9 1.3 43 43 A D E -Gf 53 104B 23 10,-2.8 10,-2.2 -2,-0.3 62,-0.2 -0.897 15.3-174.3-103.4 117.1 17.8 40.6 3.1 44 44 A A > - 0 0 3 60,-2.7 3,-2.1 -2,-0.6 5,-0.3 0.474 30.4-141.4 -87.4 -7.8 18.9 37.8 0.8 45 45 A K T 3 - 0 0 105 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.752 61.3 -60.2 53.5 35.4 18.0 35.3 3.6 46 46 A Y T 3 S+ 0 0 107 59,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.612 115.2 109.4 70.5 13.6 21.0 33.0 2.9 47 47 A R S < S- 0 0 177 -3,-2.1 60,-2.5 58,-0.4 -1,-0.3 -0.521 73.1-126.3-109.6-179.7 19.8 32.3 -0.6 48 48 A T S S+ 0 0 85 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.344 70.9 111.9-110.5 2.2 21.2 33.5 -4.0 49 49 A T - 0 0 92 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.622 69.9-101.3 -77.6 133.8 18.0 35.1 -5.4 50 50 A L S S- 0 0 59 -2,-0.3 -2,-0.1 1,-0.2 -6,-0.0 -0.878 80.8 -3.1-118.8 151.7 18.4 38.8 -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 80.8-168.3 -82.4 -13.9 17.7 41.4 -4.4 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.775 46.9 -22.8 101.8-147.6 15.6 39.6 -1.8 53 53 A S E -G 43 0B 50 -10,-2.2 -10,-2.8 -2,-0.3 -8,-0.1 -0.848 66.5-108.5-106.5 133.7 13.3 41.5 0.6 54 54 A L E -G 42 0B 29 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.354 55.1 -95.5 -56.5 127.7 13.6 45.1 1.5 55 55 A W - 0 0 10 -14,-2.6 -25,-1.9 -25,-0.3 2,-0.4 -0.296 48.3-170.2 -55.5 119.6 14.8 45.0 5.1 56 56 A A E -D 29 0A 47 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.918 7.5-179.8-116.6 137.1 11.8 45.3 7.5 57 57 A D E -D 28 0A 21 -29,-2.7 -29,-3.4 -2,-0.4 5,-0.1 -0.993 23.9-143.0-136.2 141.5 12.1 45.8 11.2 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.806 93.9 21.6 -75.4 -30.7 9.3 46.1 13.8 59 59 A D S S- 0 0 83 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.323 96.4-112.8-125.5 7.6 10.8 48.7 16.2 60 60 A N S S+ 0 0 17 1,-0.2 -51,-1.8 -32,-0.1 2,-0.5 0.667 82.3 116.3 68.9 16.7 13.5 50.7 14.4 61 61 A Q E -b 9 0A 102 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.981 45.1-170.4-118.4 126.0 16.2 49.1 16.7 62 62 A F E +b 10 0A 0 -53,-2.9 -51,-2.1 -2,-0.5 9,-0.1 -0.541 41.0 122.9-119.4 66.8 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 0.321 39.8 110.0-105.5 1.6 20.8 45.2 17.7 64 64 A A S >> S- 0 0 51 -3,-0.2 4,-1.1 1,-0.1 3,-0.9 -0.540 76.5-122.5 -76.2 149.7 20.2 41.5 16.7 65 65 A S T 34 S+ 0 0 114 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.851 114.0 59.1 -61.5 -33.1 23.2 39.7 15.3 66 66 A Y T 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.821 103.7 53.9 -62.7 -31.8 21.3 39.0 12.1 67 67 A D T X> S+ 0 0 17 -3,-0.9 4,-2.2 1,-0.2 3,-1.2 0.770 84.6 87.1 -72.1 -34.1 20.9 42.8 11.7 68 68 A A H 3X S+ 0 0 14 -4,-1.1 4,-2.0 -3,-0.4 -55,-0.5 0.838 88.7 45.3 -38.2 -56.4 24.6 43.7 11.9 69 69 A P H 3> S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.822 113.8 51.2 -62.8 -30.0 25.6 43.2 8.3 70 70 A A H <> S+ 0 0 0 -3,-1.2 4,-2.5 -4,-0.3 5,-0.3 0.918 107.3 52.7 -71.5 -43.8 22.5 45.2 7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 -60,-0.2 5,-0.2 0.934 114.6 41.6 -55.4 -51.6 23.2 48.1 9.5 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.881 113.3 51.0 -67.1 -42.1 26.8 48.4 8.1 73 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.931 116.7 42.8 -61.2 -42.8 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 0.955 118.5 43.8 -67.4 -51.5 23.2 50.6 4.8 75 75 A Y H X S+ 0 0 92 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.918 114.8 47.4 -61.9 -47.8 25.3 53.0 6.8 76 76 A Y H X S+ 0 0 1 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.767 106.2 57.6 -68.5 -27.3 28.5 52.6 4.7 77 77 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.896 107.4 50.0 -67.9 -39.1 26.7 53.1 1.4 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.947 110.7 48.0 -62.8 -47.6 25.5 56.4 2.8 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.898 112.8 49.1 -59.5 -41.0 29.0 57.5 3.8 80 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.877 109.5 51.5 -67.8 -36.4 30.3 56.5 0.4 81 81 A Y H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 11,-0.3 0.924 109.9 50.7 -64.3 -43.5 27.5 58.4 -1.3 82 82 A D H X S+ 0 0 40 -4,-2.6 4,-3.2 2,-0.2 5,-0.4 0.900 107.2 53.7 -60.6 -43.9 28.5 61.4 0.8 83 83 A Y H X>S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 5,-0.8 0.961 111.0 45.0 -56.5 -52.0 32.2 61.1 -0.2 84 84 A Y H X5S+ 0 0 5 -4,-2.1 6,-2.6 3,-0.2 4,-0.9 0.886 118.3 43.5 -62.3 -38.0 31.4 61.1 -3.9 85 85 A K H X5S+ 0 0 89 -4,-2.3 4,-1.0 4,-0.3 -2,-0.2 0.970 122.0 35.9 -71.4 -52.6 28.9 64.0 -3.6 86 86 A N H <5S+ 0 0 86 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.886 128.6 32.0 -70.1 -42.2 31.0 66.2 -1.2 87 87 A V H <5S+ 0 0 48 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.880 136.6 18.3 -86.2 -40.9 34.5 65.5 -2.6 88 88 A H H < - 0 0 66 -2,-0.5 6,-2.3 4,-0.2 4,-0.6 -0.793 66.6 -45.6 -91.7 101.1 25.4 62.4 -7.4 92 92 A S T >4 S- 0 0 4 -2,-1.0 3,-1.1 -11,-0.3 5,-0.1 0.067 93.9 -54.9 63.1-177.8 25.4 58.6 -6.8 93 93 A Y T 34 S+ 0 0 20 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.755 139.2 44.8 -65.5 -28.8 27.2 56.2 -9.1 94 94 A D T 34 S- 0 0 45 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.468 109.1-118.3 -94.4 -2.2 25.6 57.3 -12.3 95 95 A G S << S+ 0 0 33 -3,-1.1 -4,-0.2 -4,-0.6 -3,-0.2 0.533 101.7 80.1 77.9 6.0 25.9 61.0 -11.6 96 96 A N S S- 0 0 123 -5,-0.3 -4,-0.2 -6,-0.1 -3,-0.1 -0.088 113.0 -95.7-134.3 32.7 22.1 61.4 -11.6 97 97 A N - 0 0 35 -6,-2.3 -60,-1.7 1,-0.1 -5,-0.2 0.786 54.4-175.5 57.9 38.0 21.3 60.1 -8.1 98 98 A A - 0 0 18 -7,-0.5 -5,-0.3 -62,-0.1 -60,-0.1 -0.281 36.5 -95.0 -62.4 144.6 20.4 56.5 -9.0 99 99 A A - 0 0 15 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.341 35.6-136.9 -60.5 141.1 19.1 54.4 -6.1 100 100 A I E -f 39 0B 2 -62,-2.3 -60,-3.0 -3,-0.1 2,-0.4 -0.915 23.1-171.9-105.5 122.3 21.8 52.4 -4.4 101 101 A R E +f 40 0B 90 -2,-0.6 19,-2.6 17,-0.3 2,-0.3 -0.940 8.1 176.7-119.3 140.6 20.8 48.8 -3.5 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-3.1 -2,-0.4 2,-0.4 -0.995 13.1-156.6-139.7 142.0 22.6 46.3 -1.4 103 103 A S E -fh 42 121B 0 17,-1.8 19,-2.3 -2,-0.3 2,-0.2 -0.962 12.6-167.3-119.6 136.1 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 -0.735 64.5 42.5-116.4 169.5 23.2 41.1 2.7 105 105 A H S S+ 0 0 6 17,-0.3 -59,-2.9 -2,-0.2 2,-0.5 0.884 74.0 176.4 60.4 38.3 23.2 37.5 3.9 106 106 A Y - 0 0 38 16,-2.0 18,-0.5 -3,-0.2 4,-0.5 -0.677 51.2 -33.1 -76.8 121.2 23.8 36.4 0.4 107 107 A S S S- 0 0 34 -60,-2.5 2,-0.5 -2,-0.5 -60,-0.2 -0.008 92.8 -59.5 62.1-167.6 24.2 32.6 0.3 108 108 A Q S S- 0 0 158 1,-0.2 -1,-0.1 15,-0.1 18,-0.1 -0.969 110.5 -14.0-118.1 121.4 25.7 30.5 3.1 109 109 A G S S+ 0 0 41 -2,-0.5 2,-0.6 16,-0.3 17,-0.2 0.841 83.1 174.2 58.4 39.0 29.3 31.2 4.2 110 110 A Y - 0 0 69 -4,-0.5 15,-2.0 15,-0.3 2,-1.2 -0.666 22.7-155.4 -84.5 118.3 30.0 33.2 1.1 111 111 A N + 0 0 48 -2,-0.6 2,-0.3 14,-0.1 -1,-0.1 -0.439 62.0 56.8 -92.0 60.7 33.5 34.8 1.3 112 112 A N - 0 0 78 -2,-1.2 11,-2.4 2,-0.0 2,-0.3 -0.986 55.1-149.9-171.4 172.4 33.0 37.8 -1.0 113 113 A A E +I 122 0B 3 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.936 28.1 168.4-148.7 152.8 31.1 40.9 -1.9 114 114 A F E -I 121 0B 50 7,-2.2 7,-2.6 -2,-0.3 2,-0.5 -0.992 39.1-115.6-164.6 166.3 30.5 42.3 -5.3 115 115 A W E -I 120 0B 28 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.952 23.6-168.1-106.0 125.2 28.8 44.7 -7.7 116 116 A N - 0 0 69 3,-2.6 4,-0.1 -2,-0.5 -1,-0.1 0.321 54.8 -91.7-103.4 12.0 26.8 42.8 -10.2 117 117 A G S S+ 0 0 34 2,-0.3 3,-0.1 1,-0.0 -2,-0.0 0.266 123.3 41.9 97.0 -10.6 26.0 45.6 -12.6 118 118 A S S S- 0 0 79 1,-0.5 -17,-0.3 -17,-0.0 2,-0.3 0.533 120.9 -4.6-133.7 -34.7 22.8 46.5 -10.8 119 119 A E - 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0 0 23 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.699 61.6 -98.5 -96.7 146.4 51.0 40.8 -5.0 214 214 A P - 0 0 9 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.342 29.0-175.9 -62.9 138.5 53.3 42.4 -7.6 215 215 A D S S+ 0 0 14 1,-0.2 2,-0.3 -7,-0.1 5,-0.0 0.105 72.4 46.7-116.7 15.3 54.7 45.8 -6.7 216 216 A H S > S- 0 0 37 98,-0.1 3,-2.1 1,-0.1 98,-0.2 -0.958 81.1-122.9-157.9 140.5 56.4 46.2 -10.1 217 217 A Y G > S+ 0 0 60 96,-3.2 3,-1.5 -2,-0.3 97,-0.1 0.739 109.9 64.3 -55.0 -31.2 55.3 45.7 -13.7 218 218 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.727 103.9 49.8 -67.4 -17.4 58.2 43.2 -14.3 219 219 A K G < S+ 0 0 118 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.182 82.9 137.1-105.8 15.6 56.5 41.0 -11.7 220 220 A R < - 0 0 92 -3,-1.5 2,-0.4 1,-0.1 9,-0.1 -0.277 59.6-111.8 -65.7 149.6 53.0 41.1 -13.2 221 221 A Y - 0 0 63 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.665 30.0-177.1 -80.3 131.8 51.0 37.9 -13.4 222 222 A T + 0 0 120 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.339 47.3 99.8-114.2 5.4 50.4 36.8 -17.0 223 223 A G S S- 0 0 26 1,-0.1 -64,-0.1 -64,-0.0 -2,-0.0 0.012 78.5-110.0 -80.8-167.7 48.2 33.8 -16.5 224 224 A T S >> S+ 0 0 131 4,-0.1 3,-0.6 3,-0.1 4,-0.6 0.516 76.4 109.4-103.1 -12.9 44.4 33.2 -16.8 225 225 A Q H >> S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 3,-1.3 -0.277 81.9 19.9 -63.3 154.5 43.5 32.7 -13.2 226 226 A D H 3> S- 0 0 54 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.869 138.9 -58.4 53.8 44.1 41.5 35.5 -11.5 227 227 A N H <4 S- 0 0 90 -3,-0.6 -68,-2.5 1,-0.2 -1,-0.3 0.834 114.5 -38.0 55.5 35.2 40.4 36.9 -14.9 228 228 A G H << S- 0 0 4 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.786 115.6 -55.3 87.0 28.0 44.0 37.3 -15.8 229 229 A G H >X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.1 3,-1.0 0.832 77.4 158.3 74.7 41.1 45.0 38.5 -12.3 230 230 A V T 3< S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.3 -63,-0.1 0.845 82.8 40.3 -64.9 -34.0 42.7 41.4 -11.7 231 231 A H T 34 S+ 0 0 52 -5,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.428 121.9 46.1 -90.8 -1.2 43.1 41.1 -7.9 232 232 A I T X4 S+ 0 0 40 -3,-1.0 3,-1.7 -6,-0.2 4,-0.2 0.822 112.7 41.8-102.7 -58.6 46.9 40.4 -8.4 233 233 A N T >X S+ 0 0 6 -4,-3.1 3,-1.1 1,-0.3 4,-0.8 0.628 96.7 79.2 -68.7 -11.9 48.1 43.0 -10.9 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-2.9 -4,-0.4 -1,-0.3 0.778 78.9 73.1 -65.8 -23.8 46.1 45.7 -9.2 235 235 A G H <> S+ 0 0 2 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.844 90.4 56.8 -58.9 -33.4 48.9 45.7 -6.6 236 236 A I H <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.2 -1,-0.2 0.929 112.7 39.2 -64.1 -45.2 51.1 47.5 -9.2 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.868 114.0 54.8 -73.8 -36.1 48.6 50.3 -9.6 238 238 A N H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.906 108.1 49.8 -62.7 -42.4 47.8 50.4 -5.9 239 239 A K H X S+ 0 0 20 -4,-2.4 4,-2.5 -25,-0.2 -1,-0.2 0.926 110.6 49.8 -61.5 -47.4 51.5 50.8 -5.1 240 240 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.900 111.1 49.2 -58.5 -42.9 51.7 53.7 -7.6 241 241 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.912 110.8 50.2 -63.6 -44.0 48.7 55.4 -6.1 242 242 A Y H X>S+ 0 0 55 -4,-2.5 4,-3.0 -37,-0.2 5,-0.5 0.902 111.1 49.4 -60.0 -44.0 50.2 55.0 -2.6 243 243 A L H X5S+ 0 0 3 -4,-2.5 4,-2.1 3,-0.2 -2,-0.2 0.915 106.9 54.2 -63.9 -42.6 53.5 56.5 -3.8 244 244 A I H <5S+ 0 0 1 -4,-2.4 14,-3.0 1,-0.2 15,-0.4 0.911 118.9 35.2 -58.0 -42.0 51.8 59.5 -5.5 245 245 A S H <5S+ 0 0 5 -4,-1.8 14,-1.9 12,-0.3 -2,-0.2 0.928 133.6 21.5 -78.7 -48.9 50.1 60.3 -2.2 246 246 A Q H <5S- 0 0 88 -4,-3.0 11,-0.4 -5,-0.2 -3,-0.2 0.695 93.5-144.2 -97.7 -21.6 52.6 59.4 0.5 247 247 A G << + 0 0 11 -4,-2.1 2,-0.2 -5,-0.5 9,-0.2 -0.194 32.8 145.0 80.2 180.0 55.9 59.5 -1.4 248 248 A G E -L 255 0E 36 7,-2.3 7,-2.6 -4,-0.1 2,-0.5 -0.763 50.8 -79.2 137.5 176.8 58.8 57.1 -0.9 249 249 A T E +L 254 0E 95 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.976 41.4 179.3-119.7 119.6 61.6 55.3 -2.7 250 250 A H E > S-L 253 0E 18 3,-2.3 3,-2.2 -2,-0.5 -2,-0.0 -0.985 72.1 -14.6-124.6 124.0 60.7 52.1 -4.6 251 251 A Y T 3 S- 0 0 116 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.858 129.7 -53.5 51.2 40.0 63.2 50.1 -6.5 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.357 112.3 118.8 81.6 -7.8 65.6 53.1 -6.4 253 253 A V E < -L 250 0E 35 -3,-2.2 -3,-2.3 59,-0.1 2,-0.4 -0.841 55.2-143.6 -96.8 124.5 63.1 55.6 -7.8 254 254 A S E -L 249 0E 67 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.696 15.4-171.8 -91.1 135.8 62.2 58.5 -5.5 255 255 A V E -L 248 0E 6 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.6 -0.990 16.8-144.9-129.3 126.1 58.6 60.0 -5.4 256 256 A V - 0 0 90 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.816 29.1-128.0 -88.4 120.4 57.6 63.1 -3.5 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.428 19.4-166.9 -70.3 144.4 54.0 62.5 -2.2 258 258 A I - 0 0 25 -14,-3.0 4,-0.4 1,-0.2 -13,-0.2 0.315 47.7-105.3-110.9 4.6 51.4 65.1 -3.0 259 259 A G > - 0 0 26 -14,-1.9 4,-1.4 -15,-0.4 -1,-0.2 0.027 30.4 -77.5 92.7 161.7 48.8 63.9 -0.6 260 260 A R H > S+ 0 0 89 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.795 119.5 58.2 -64.3 -42.6 45.5 61.9 -0.7 261 261 A D H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 110.2 41.9 -59.6 -47.0 43.2 64.7 -1.8 262 262 A K H > S+ 0 0 72 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.839 112.1 56.9 -70.8 -31.7 45.2 65.4 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.940 109.8 45.0 -61.0 -48.1 45.5 61.7 -5.5 264 264 A G H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.891 113.5 50.6 -62.2 -41.8 41.7 61.4 -5.4 265 265 A K H X S+ 0 0 82 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.923 112.7 45.1 -62.3 -47.9 41.3 64.4 -7.7 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.950 116.6 44.2 -63.5 -49.4 43.8 63.1 -10.3 267 267 A F H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.881 112.1 51.2 -66.4 -37.9 42.4 59.5 -10.4 268 268 A Y H X S+ 0 0 33 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.921 112.2 48.3 -64.5 -42.2 38.7 60.6 -10.5 269 269 A R H X>S+ 0 0 79 -4,-1.9 4,-1.9 -5,-0.2 5,-0.6 0.926 112.4 47.9 -63.8 -44.1 39.5 62.9 -13.4 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-2.7 3,-0.2 4,-1.6 0.931 113.8 48.4 -61.0 -45.5 41.4 60.1 -15.2 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.3 1,-0.2 -2,-0.2 0.900 119.6 34.8 -61.3 -47.8 38.5 57.7 -14.6 272 272 A T H <5S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.655 131.3 27.2 -86.1 -17.1 35.7 59.9 -15.7 273 273 A Q H <5S+ 0 0 123 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.759 129.8 19.5-114.1 -37.3 37.4 61.8 -18.5 274 274 A Y T < - 0 0 63 -2,-0.1 3,-1.4 -122,-0.0 -123,-0.1 -0.790 41.9 -89.6-125.0 174.0 38.0 53.7 -21.7 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.835 125.1 39.7 -56.5 -33.6 36.8 50.1 -21.5 278 278 A T T 3 S+ 0 0 99 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.319 80.1 141.7-102.0 10.3 40.1 48.7 -23.0 279 279 A S < - 0 0 4 -3,-1.4 -115,-0.2 -126,-0.1 2,-0.2 -0.211 33.3-158.8 -54.5 134.9 42.6 51.0 -21.3 280 280 A N > - 0 0 61 -119,-0.1 4,-2.1 -120,-0.1 5,-0.2 -0.487 36.5 -87.3-106.3 178.5 45.9 49.3 -20.2 281 281 A F H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.896 127.4 51.5 -53.5 -45.4 48.5 50.2 -17.6 282 282 A S H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 110.9 48.6 -61.8 -38.6 50.4 52.4 -20.0 283 283 A Q H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 107.0 55.8 -71.3 -31.9 47.3 54.2 -21.0 284 284 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.902 105.4 52.8 -65.3 -40.4 46.3 54.8 -17.4 285 285 A R H X S+ 0 0 34 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.929 110.9 46.5 -59.8 -45.3 49.7 56.4 -16.9 286 286 A A H X S+ 0 0 61 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.872 112.9 49.9 -64.2 -37.0 49.0 58.8 -19.8 287 287 A A H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 112.3 47.1 -68.1 -42.2 45.5 59.4 -18.4 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.898 112.7 48.3 -67.3 -41.5 46.9 60.2 -15.0 289 289 A V H X S+ 0 0 25 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.940 113.1 49.2 -64.4 -43.4 49.6 62.5 -16.4 290 290 A Q H X S+ 0 0 82 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.913 111.0 49.0 -62.6 -43.2 47.0 64.3 -18.5 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.885 111.2 48.5 -64.1 -43.8 44.6 64.8 -15.6 292 292 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.839 112.0 51.5 -65.0 -32.6 47.4 66.2 -13.3 293 293 A T H X S+ 0 0 37 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.944 109.3 49.0 -68.2 -47.7 48.4 68.5 -16.2 294 294 A D H < S+ 0 0 63 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.922 120.8 37.1 -55.7 -47.4 44.8 69.7 -16.6 295 295 A L H < S+ 0 0 64 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.807 135.8 13.0 -78.2 -32.9 44.5 70.3 -12.9 296 296 A Y H < S- 0 0 73 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.474 104.6 -97.7-128.2 -2.6 48.0 71.6 -12.0 297 297 A G >< - 0 0 30 -4,-2.6 3,-1.7 -5,-0.3 6,-0.4 0.147 36.4 -89.7 95.4 146.5 50.0 72.5 -15.1 298 298 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.697 126.1 49.7 -66.0 -21.2 52.6 70.5 -17.0 299 299 A T T 3 S+ 0 0 142 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.265 87.3 121.9-100.3 10.0 55.4 71.9 -14.9 300 300 A S S <> S- 0 0 16 -3,-1.7 4,-1.7 1,-0.1 -3,-0.1 -0.288 72.6-124.9 -71.4 157.6 53.7 71.2 -11.6 301 301 A Q H > S+ 0 0 98 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.870 112.5 63.0 -66.8 -36.8 55.2 68.9 -8.9 302 302 A E H > S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.892 103.8 45.2 -55.5 -45.4 51.9 67.0 -9.1 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-1.9 -11,-0.2 -1,-0.2 0.927 113.3 52.0 -65.4 -39.6 52.7 66.0 -12.7 304 304 A A H X S+ 0 0 44 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.907 108.7 49.4 -62.3 -44.3 56.3 65.2 -11.7 305 305 A S H X S+ 0 0 1 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.800 107.9 53.3 -65.2 -34.7 55.1 62.9 -8.8 306 306 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.908 111.2 47.7 -66.1 -42.4 52.7 61.0 -11.1 307 307 A K H X S+ 0 0 89 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.925 112.6 47.1 -64.2 -48.0 55.5 60.3 -13.5 308 308 A Q H X S+ 0 0 72 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.878 110.5 53.7 -61.0 -41.3 58.0 59.2 -10.9 309 309 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.903 112.2 42.8 -62.2 -45.0 55.4 56.9 -9.3 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 -1,-0.2 0.887 113.6 52.2 -70.7 -34.7 54.7 55.1 -12.5 311 311 A D H ><5S+ 0 0 42 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.933 106.4 56.3 -62.0 -44.8 58.4 55.0 -13.3 312 312 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.828 110.7 42.0 -56.4 -36.5 58.9 53.4 -9.8 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.2 -3,-0.1 -1,-0.3 0.296 118.8-110.1 -96.0 11.1 56.4 50.6 -10.6 314 314 A G T < 5 + 0 0 22 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.723 69.9 141.5 70.9 23.7 57.8 50.1 -14.1 315 315 A V < 0 0 4 -5,-2.9 -1,-0.2 1,-0.2 -2,-0.1 -0.873 360.0 360.0-102.5 108.8 54.8 51.4 -16.0 316 316 A K 0 0 164 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.674 360.0 360.0-104.1 360.0 55.9 53.5 -19.0