==== 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 08-AUG-00 1FJU . 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) . 12758.0 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 . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.5 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 . 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 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 0.000 360.0 360.0 360.0 152.6 8.3 52.2 0.0 2 2 A T + 0 0 137 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.849 360.0 104.2 -94.5 127.8 6.3 55.4 0.6 3 3 A G - 0 0 36 -2,-0.5 2,-0.4 22,-0.0 22,-0.2 -0.937 69.4 -51.7-173.6-160.2 6.4 56.5 4.2 4 4 A T E -A 24 0A 92 20,-2.2 20,-3.7 -2,-0.3 2,-0.2 -0.835 49.0-121.9-102.8 134.2 7.9 59.0 6.7 5 5 A S E +A 23 0A 67 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.521 45.2 153.9 -73.7 134.8 11.6 59.5 7.0 6 6 A T E -A 22 0A 51 16,-2.6 16,-2.4 -2,-0.2 2,-0.4 -0.845 39.2-109.6-150.3-176.5 13.1 58.8 10.4 7 7 A V E -A 21 0A 79 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.994 28.3-175.5-129.1 125.3 16.3 57.8 12.1 8 8 A G E -A 20 0A 4 12,-3.4 12,-2.3 -2,-0.4 2,-0.4 -0.496 15.9-132.1-112.5 177.4 17.0 54.5 13.8 9 9 A V E +Ab 19 61A 25 51,-1.7 53,-3.2 10,-0.3 2,-0.3 -0.973 32.2 144.0-133.3 142.9 19.9 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.7 -2,-0.4 2,-0.4 -0.957 41.7 -97.3-156.2-169.8 21.8 50.0 15.6 11 11 A R E -A 17 0A 115 51,-2.2 6,-0.2 -2,-0.3 60,-0.2 -0.988 31.2-140.5-123.1 135.0 25.2 48.2 16.0 12 12 A G > - 0 0 4 4,-2.6 3,-2.3 -2,-0.4 56,-0.2 -0.059 39.9 -83.9 -82.4-176.9 27.5 47.3 13.1 13 13 A V T 3 S+ 0 0 29 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.815 128.1 52.2 -57.7 -37.7 29.5 44.2 12.5 14 14 A L T 3 S- 0 0 74 54,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.359 121.1-104.2 -83.3 3.3 32.4 45.5 14.7 15 15 A G S < S+ 0 0 45 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.492 74.6 140.2 95.4 -5.3 30.1 46.2 17.6 16 16 A D - 0 0 52 1,-0.0 -4,-2.6 -5,-0.0 -1,-0.3 -0.588 49.9-125.9 -80.2 142.2 30.0 50.0 17.1 17 17 A Q E +A 11 0A 130 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.657 36.2 166.8 -88.6 135.1 26.8 52.0 17.6 18 18 A K E -A 10 0A 17 -8,-2.7 -8,-2.3 -2,-0.3 2,-0.3 -0.993 34.5-120.8-147.9 156.8 25.5 54.2 14.8 19 19 A N E -A 9 0A 107 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.702 31.9-167.3 -93.2 142.1 22.4 56.1 13.7 20 20 A I E -A 8 0A 4 -12,-2.3 -12,-3.4 -2,-0.3 2,-0.4 -0.992 24.1-113.0-132.6 151.2 20.9 55.1 10.3 21 21 A N E +A 7 0A 39 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.595 45.1 168.5 -82.6 125.1 18.3 56.7 8.0 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.6 -2,-0.4 2,-0.4 -0.716 29.4-126.5-134.4 172.3 15.1 54.6 7.8 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.1 -18,-0.2 2,-0.6 -0.999 17.8-143.8-126.5 138.0 11.6 54.9 6.5 24 24 A Y E +AC 4 28A 94 -20,-3.7 -20,-2.2 -2,-0.4 4,-0.2 -0.851 39.3 136.8-109.6 128.5 8.4 54.3 8.5 25 25 A S S S- 0 0 50 2,-3.0 2,-2.5 -2,-0.6 -2,-0.0 -0.684 94.3 -48.5-160.2 80.0 5.3 52.7 7.0 26 26 A T S S+ 0 0 112 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.397 140.4 38.1 79.7 -62.5 3.9 50.1 9.4 27 27 A Y S S- 0 0 115 -2,-2.5 -2,-3.0 32,-0.0 2,-0.6 -0.632 94.8-112.6-103.5 168.5 7.4 48.6 9.7 28 28 A Y E -CD 24 57A 57 29,-3.2 29,-2.5 -4,-0.2 2,-0.3 -0.931 39.9-160.0 -96.4 126.1 10.7 50.6 9.8 29 29 A Y E -CD 23 56A 41 -6,-3.1 2,-2.2 -2,-0.6 -6,-1.8 -0.792 28.2-114.3-109.7 152.4 12.6 49.9 6.5 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.4 11,-0.3 2,-0.4 -0.541 72.3 127.0 -81.6 85.3 16.2 50.3 5.7 31 31 A Q E -E 40 0B 10 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.958 45.5-158.5-144.6 116.3 15.5 53.0 3.1 32 32 A D E -E 39 0B 2 7,-2.7 7,-1.8 -2,-0.4 3,-0.4 -0.906 10.7-179.4-102.7 112.9 17.3 56.3 3.3 33 33 A N + 0 0 61 -2,-0.7 -1,-0.1 -11,-0.3 3,-0.1 0.333 67.7 79.5 -90.0 -0.3 15.5 59.0 1.5 34 34 A T S S+ 0 0 86 1,-0.2 2,-0.6 5,-0.1 -1,-0.2 0.585 84.4 64.5 -86.1 -11.0 18.0 61.8 2.3 35 35 A R S > S- 0 0 48 -3,-0.4 3,-2.2 4,-0.1 -1,-0.2 -0.908 110.8 -64.8-120.2 115.7 20.5 60.8 -0.4 36 36 A G T 3 S- 0 0 27 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.207 113.4 -18.1 56.1-138.0 19.6 61.0 -4.1 37 37 A D T 3 S- 0 0 111 60,-1.9 -1,-0.3 1,-0.2 62,-0.2 0.286 119.5 -85.1 -84.6 13.4 16.9 58.6 -5.2 38 38 A G < - 0 0 2 -3,-2.2 62,-2.2 60,-0.1 2,-0.4 -0.093 28.2-106.1 110.1 157.9 17.5 56.7 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.8 -7,-2.7 60,-0.2 2,-0.4 -0.993 36.7-168.8-121.4 128.1 19.7 53.9 -0.5 40 40 A F E -Ef 31 101B 23 60,-2.6 62,-2.1 -2,-0.4 2,-0.4 -0.977 6.9-161.4-126.4 126.6 17.8 50.6 -0.0 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.8 -2,-0.4 -11,-0.3 -0.948 11.5-166.2-119.3 132.2 19.1 47.6 1.9 42 42 A Y E -Gf 54 103B 27 60,-2.9 62,-2.4 -2,-0.4 2,-0.6 -0.828 21.1-127.4-119.4 156.1 17.7 44.1 1.4 43 43 A D E -Gf 53 104B 22 10,-3.1 10,-2.0 -2,-0.3 62,-0.2 -0.903 15.1-173.7-100.7 116.7 17.8 40.8 3.2 44 44 A A > - 0 0 3 60,-2.7 3,-2.0 -2,-0.6 5,-0.2 0.571 30.0-142.3 -88.7 -2.3 18.8 37.9 0.9 45 45 A K T 3 - 0 0 107 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.812 62.0 -57.7 53.7 40.1 18.1 35.5 3.8 46 46 A Y T 3 S+ 0 0 109 59,-2.6 -1,-0.3 1,-0.3 60,-0.2 0.519 114.1 111.6 65.1 14.7 21.0 33.1 3.0 47 47 A R S < S- 0 0 176 -3,-2.0 60,-2.6 58,-0.3 -1,-0.3 -0.462 70.4-129.8-102.7 177.4 19.8 32.5 -0.6 48 48 A T S S+ 0 0 84 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.337 72.5 109.7-112.3 6.5 21.3 33.6 -3.9 49 49 A T S S- 0 0 94 -5,-0.2 -2,-0.2 2,-0.0 58,-0.1 -0.619 71.6-100.4 -78.7 141.3 18.2 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 -0.902 80.3 -3.1-126.8 149.5 18.5 38.9 -5.5 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.975 77.7-168.4 -91.0 -8.2 17.7 41.3 -4.3 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.793 48.5 -24.2 95.3-150.9 15.6 39.6 -1.6 53 53 A S E -G 43 0B 52 -10,-2.0 -10,-3.1 -2,-0.3 -8,-0.1 -0.831 66.0-105.8-105.0 136.5 13.3 41.6 0.7 54 54 A L E -G 42 0B 29 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.372 54.7 -98.6 -57.8 133.2 13.6 45.2 1.6 55 55 A W - 0 0 11 -14,-2.8 -25,-2.1 -25,-0.3 2,-0.4 -0.419 48.5-172.2 -68.7 123.9 14.8 45.1 5.2 56 56 A A E -D 29 0A 46 -2,-0.2 2,-0.3 -27,-0.2 -27,-0.2 -0.926 6.3-176.6-118.2 142.6 11.9 45.6 7.6 57 57 A D E -D 28 0A 22 -29,-2.5 -29,-3.2 -2,-0.4 3,-0.1 -0.995 24.2-140.2-142.6 141.7 12.1 46.0 11.3 58 58 A A S S+ 0 0 76 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.792 94.9 18.8 -75.4 -30.7 9.4 46.3 14.0 59 59 A D S S- 0 0 94 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.327 96.6-110.3-129.7 14.2 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,-0.5 0.691 82.0 115.9 67.1 25.2 13.7 50.9 14.5 61 61 A Q E -b 9 0A 98 -53,-0.2 2,-0.5 -51,-0.0 -2,-0.2 -0.982 45.1-169.0-127.3 119.8 16.4 49.4 16.6 62 62 A F E +b 10 0A 0 -53,-3.2 -51,-2.2 -2,-0.5 9,-0.1 -0.549 42.4 123.5-112.9 67.0 19.0 47.2 14.9 63 63 A F + 0 0 61 -2,-0.5 -1,-0.2 -53,-0.2 2,-0.1 0.417 39.4 110.5-107.4 6.3 20.9 45.5 17.7 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.1 1,-0.1 4,-0.9 -0.449 75.6-124.7 -78.0 150.9 20.3 41.9 16.7 65 65 A S G >4 S+ 0 0 114 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.923 114.0 57.2 -67.3 -29.8 23.4 40.1 15.5 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.730 103.7 56.2 -64.5 -25.6 21.5 39.2 12.3 67 67 A D G X> S+ 0 0 15 -3,-1.1 4,-2.4 1,-0.2 3,-0.8 0.752 84.9 86.0 -75.6 -26.6 21.0 43.0 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.856 113.9 52.0 -60.8 -32.9 25.7 43.4 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.4 5,-0.3 0.904 106.7 52.9 -70.7 -43.0 22.6 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -60,-0.2 5,-0.2 0.951 114.8 40.7 -52.8 -53.9 23.3 48.3 9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.888 112.9 52.6 -67.7 -37.6 26.9 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.933 115.1 43.7 -59.6 -44.2 25.9 48.1 4.4 74 74 A H H X S+ 0 0 4 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.956 118.1 43.1 -66.0 -47.7 23.3 50.8 4.7 75 75 A Y H X S+ 0 0 92 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.902 114.0 48.4 -67.0 -45.0 25.4 53.2 6.6 76 76 A Y H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.873 106.5 56.3 -77.3 -22.3 28.6 52.8 4.6 77 77 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.4 -1,-0.2 0.912 107.9 51.0 -68.7 -35.7 26.8 53.2 1.3 78 78 A G H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.935 110.5 47.9 -63.2 -45.2 25.6 56.6 2.7 79 79 A V H X S+ 0 0 16 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.937 112.0 49.2 -63.1 -39.6 29.2 57.6 3.6 80 80 A T H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.919 110.0 51.5 -63.7 -42.6 30.4 56.6 0.1 81 81 A Y H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 11,-0.3 0.939 110.9 48.8 -60.3 -41.7 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 37 -4,-2.6 4,-3.4 1,-0.2 5,-0.4 0.899 108.3 53.6 -64.0 -41.7 28.6 61.6 0.6 83 83 A Y H X>S+ 0 0 11 -4,-2.4 4,-2.6 1,-0.2 5,-0.7 0.960 111.8 44.1 -57.6 -52.4 32.3 61.3 -0.3 84 84 A Y H X5S+ 0 0 8 -4,-2.5 6,-2.9 1,-0.2 4,-0.8 0.860 118.9 44.0 -64.6 -33.8 31.5 61.3 -4.0 85 85 A K H X5S+ 0 0 91 -4,-2.3 4,-1.0 4,-0.3 -1,-0.2 0.964 120.7 36.7 -72.5 -51.4 29.0 64.2 -3.7 86 86 A N H <5S+ 0 0 90 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.832 127.8 32.0 -74.6 -36.2 31.1 66.4 -1.3 87 87 A V H <5S+ 0 0 59 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.2 0.823 136.3 19.0 -86.9 -46.0 34.6 65.8 -2.7 88 88 A H H < - 0 0 62 -2,-0.5 6,-2.3 4,-0.2 4,-0.5 -0.829 65.7 -45.4 -91.3 103.4 25.6 62.5 -7.5 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.003 92.8 -55.2 61.4-169.5 25.6 58.7 -6.9 93 93 A Y T 34 S+ 0 0 25 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.825 137.4 44.6 -81.2 -24.7 27.3 56.3 -9.2 94 94 A D T 34 S- 0 0 47 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.461 109.3-117.3 -93.3 -3.2 25.7 57.3 -12.5 95 95 A G S << S+ 0 0 35 -3,-0.7 -4,-0.2 -4,-0.5 -3,-0.2 0.489 102.3 79.2 81.7 4.9 26.0 61.0 -11.8 96 96 A N S S- 0 0 128 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.073 114.2 -93.4-136.2 30.2 22.2 61.5 -11.7 97 97 A N - 0 0 36 -6,-2.3 -60,-1.9 1,-0.2 -5,-0.2 0.817 54.0-173.3 66.9 31.4 21.4 60.2 -8.2 98 98 A A - 0 0 16 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.333 34.1 -99.8 -51.0 143.3 20.6 56.6 -9.1 99 99 A A - 0 0 16 -62,-0.2 2,-0.5 -63,-0.1 -60,-0.2 -0.313 32.7-136.9 -64.3 140.7 19.3 54.6 -6.1 100 100 A I E -f 39 0B 7 -62,-2.2 -60,-2.6 -3,-0.1 2,-0.4 -0.913 23.1-172.4-105.1 123.8 21.9 52.5 -4.4 101 101 A R E +f 40 0B 94 -2,-0.5 19,-2.6 17,-0.2 2,-0.3 -0.969 6.2 178.2-118.8 139.5 20.7 48.9 -3.5 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.9 -2,-0.4 2,-0.4 -0.993 12.8-157.6-136.9 147.1 22.6 46.4 -1.4 103 103 A S E -fh 42 121B 0 17,-1.6 19,-2.4 -2,-0.3 3,-0.2 -0.977 12.8-167.8-121.3 137.3 21.6 42.9 -0.2 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-2.7 -2,-0.4 -59,-0.4 -0.658 64.3 45.5-119.6 172.8 23.3 41.2 2.8 105 105 A H S S+ 0 0 6 17,-0.3 -59,-2.6 -2,-0.2 2,-0.5 0.889 74.3 175.6 60.7 40.3 23.2 37.6 4.0 106 106 A Y - 0 0 35 16,-1.9 18,-0.4 -3,-0.2 4,-0.4 -0.663 51.7 -32.4 -80.7 126.4 23.8 36.4 0.5 107 107 A S S S- 0 0 33 -60,-2.6 2,-0.4 -2,-0.5 -60,-0.1 -0.081 92.6 -64.4 59.0-160.9 24.3 32.7 0.4 108 108 A Q S S- 0 0 155 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.990 107.7 -8.9-127.4 128.3 25.9 30.7 3.3 109 109 A G S S+ 0 0 42 -2,-0.4 2,-0.6 16,-0.4 17,-0.2 0.784 84.9 171.1 59.1 34.3 29.5 31.1 4.4 110 110 A Y - 0 0 74 -4,-0.4 15,-2.1 15,-0.3 2,-1.1 -0.643 25.2-157.6 -89.0 119.4 30.2 33.3 1.3 111 111 A N + 0 0 52 -2,-0.6 2,-0.3 13,-0.1 -1,-0.1 -0.324 61.4 56.8 -90.5 50.4 33.6 34.9 1.5 112 112 A N - 0 0 86 -2,-1.1 11,-2.6 18,-0.0 2,-0.3 -0.982 54.0-152.4-166.0 171.9 33.1 37.8 -0.9 113 113 A A E +I 122 0B 3 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.944 25.3 171.7-148.2 153.7 31.1 40.9 -1.8 114 114 A F E -I 121 0B 47 7,-2.3 7,-2.1 -2,-0.3 2,-0.5 -0.989 38.6-117.7-165.2 158.4 30.6 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 -0.838 27.0-164.8 -95.7 122.0 28.9 44.9 -7.5 116 116 A N - 0 0 67 3,-2.6 4,-0.1 -2,-0.5 -1,-0.1 0.146 52.4 -89.4 -98.5 15.7 26.9 42.9 -10.0 117 117 A G S S+ 0 0 38 2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.168 124.8 38.6 96.9 -21.5 26.2 45.6 -12.6 118 118 A S S S- 0 0 87 1,-0.4 2,-0.3 -17,-0.0 -17,-0.2 0.529 121.6 -5.0-134.2 -27.0 22.9 46.6 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.6 -5,-0.0 -1,-0.4 -0.972 70.2 -89.6-161.4 172.1 23.5 46.4 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-1.6 -2,-0.3 2,-0.4 -0.661 33.7-166.2 -91.6 145.9 25.9 45.5 -4.2 121 121 A V E -hI 103 114B 0 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.4 -0.996 2.1-168.5-134.5 133.9 25.9 42.0 -2.7 122 122 A Y E - I 0 113B 1 -19,-2.4 -16,-1.9 -2,-0.4 -17,-0.3 -0.981 9.1-152.8-128.3 130.9 27.6 41.0 0.5 123 123 A G - 0 0 1 -11,-2.6 10,-1.6 -2,-0.4 11,-0.4 -0.360 22.8-128.0 -82.4 169.4 28.3 37.5 2.0 124 124 A D - 0 0 26 -18,-0.4 3,-0.3 8,-0.2 -13,-0.1 0.431 45.5-127.2 -92.0 -3.9 28.6 37.0 5.7 125 125 A G - 0 0 6 -15,-2.1 -16,-0.4 -13,-0.2 -15,-0.3 -0.073 26.2 -86.7 77.8 169.1 32.0 35.2 5.4 126 126 A D - 0 0 74 -17,-0.2 -1,-0.2 4,-0.2 5,-0.2 0.354 57.9-110.3 -96.0 -2.8 32.6 31.8 7.0 127 127 A G S S+ 0 0 46 3,-2.4 4,-0.2 -3,-0.3 -2,-0.1 0.370 108.8 57.7 95.0 -7.4 33.6 33.3 10.3 128 128 A Q S S+ 0 0 158 2,-0.3 68,-0.4 67,-0.1 3,-0.1 0.653 113.7 26.6-120.1 -50.7 37.2 32.3 9.9 129 129 A T S S+ 0 0 49 1,-0.3 65,-3.7 65,-0.2 2,-0.3 0.846 136.6 3.3 -78.8 -41.9 38.5 33.9 6.6 130 130 A F B -J 193 0C 13 63,-0.3 -3,-2.4 64,-0.1 -1,-0.3 -0.998 56.6-146.9-141.2 156.3 36.0 36.7 6.8 131 131 A I S S- 0 0 37 61,-1.9 -6,-0.1 -2,-0.3 -5,-0.1 -0.542 73.9 -42.0-106.4 171.8 33.3 38.2 9.0 132 132 A P > - 0 0 28 0, 0.0 3,-2.0 0, 0.0 -8,-0.2 -0.088 61.6-138.0 -45.3 126.0 30.3 39.9 7.2 133 133 A L G > S+ 0 0 5 -10,-1.6 3,-1.5 1,-0.3 7,-0.2 0.695 93.6 71.1 -70.6 -19.4 32.0 41.9 4.5 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.1 0.585 80.3 78.5 -73.3 -4.8 29.9 45.1 4.8 135 135 A G G < S+ 0 0 0 -3,-2.0 2,-0.6 -4,-0.1 -1,-0.3 0.526 80.3 78.6 -75.2 -8.9 31.8 45.8 8.1 136 136 A G <> - 0 0 0 -3,-1.5 4,-2.4 1,-0.2 3,-0.2 -0.920 64.8-163.6-101.0 114.6 34.8 47.0 6.1 137 137 A I H > S+ 0 0 0 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.873 92.8 54.5 -66.0 -33.6 34.2 50.6 4.8 138 138 A D H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 108.8 49.3 -67.2 -34.9 37.1 50.2 2.2 139 139 A V H > S+ 0 0 15 2,-0.2 4,-2.6 -3,-0.2 5,-0.3 0.930 112.5 47.0 -66.4 -47.6 35.3 47.0 0.9 140 140 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -7,-0.2 5,-0.2 0.950 116.5 43.0 -57.8 -49.3 32.0 48.8 0.6 141 141 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.835 111.0 56.8 -68.7 -32.6 33.5 51.8 -1.1 142 142 A H H X S+ 0 0 7 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.958 111.8 42.5 -61.3 -48.7 35.7 49.5 -3.3 143 143 A E H >X S+ 0 0 22 -4,-2.6 4,-1.0 1,-0.2 3,-0.7 0.955 113.2 49.4 -68.4 -43.0 32.6 47.8 -4.6 144 144 A L H 3X S+ 0 0 7 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.818 103.5 62.6 -67.4 -24.6 30.5 50.8 -5.1 145 145 A T H 3X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.850 92.7 63.3 -71.8 -23.8 33.4 52.4 -7.0 146 146 A H H <>S+ 0 0 0 -4,-2.7 5,-3.4 1,-0.2 3,-1.2 0.918 106.9 56.7 -61.9 -43.1 33.7 53.0 -13.2 150 150 A D H 3<5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 110.8 44.4 -55.5 -39.4 31.0 51.1 -15.1 151 151 A Y H 3<5S+ 0 0 123 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.500 126.7 26.1 -83.7 -7.1 29.2 54.3 -15.8 152 152 A T T <<5S+ 0 0 41 -3,-1.2 -3,-0.1 -4,-0.6 120,-0.1 0.429 133.8 7.2-120.2 -97.7 32.3 56.3 -16.8 153 153 A A T 5S- 0 0 5 118,-0.4 -3,-0.2 1,-0.1 126,-0.1 0.765 77.6-150.4 -59.0 -39.5 35.5 54.6 -18.3 154 154 A G < - 0 0 25 -5,-3.4 -4,-0.2 1,-0.2 -1,-0.1 0.772 16.7-164.2 74.4 33.2 33.8 51.2 -18.5 155 155 A L - 0 0 5 -6,-0.2 123,-0.2 1,-0.1 -1,-0.2 -0.194 20.2-120.1 -56.5 122.1 37.1 49.3 -18.0 156 156 A I - 0 0 69 121,-2.5 2,-1.9 120,-0.1 9,-0.2 -0.460 22.8-115.0 -70.3 148.5 36.6 45.7 -19.1 157 157 A Y S S+ 0 0 91 -2,-0.1 2,-0.3 5,-0.1 73,-0.1 -0.298 81.9 75.0 -81.3 57.2 37.2 43.2 -16.4 158 158 A Q S > S- 0 0 94 -2,-1.9 4,-1.9 70,-0.1 3,-0.5 -0.982 87.4 -11.9-162.3 152.7 40.3 41.4 -17.8 159 159 A N H > S- 0 0 90 68,-2.4 4,-1.8 -2,-0.3 5,-0.1 -0.158 120.6 -17.4 52.4-152.9 44.0 41.8 -18.3 160 160 A E H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 139.2 52.4 -59.2 -37.8 45.4 45.3 -17.8 161 161 A S H > S+ 0 0 9 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.895 110.8 48.8 -67.1 -32.0 42.1 47.2 -18.0 162 162 A G H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.863 109.6 52.2 -70.7 -33.0 40.6 44.9 -15.4 163 163 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.902 110.6 47.5 -67.4 -42.9 43.7 45.5 -13.2 164 164 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.937 109.8 53.8 -57.6 -46.6 43.2 49.2 -13.5 165 165 A N H X S+ 0 0 3 -4,-2.4 4,-1.7 -9,-0.2 -2,-0.2 0.945 111.7 44.3 -56.3 -45.9 39.5 48.7 -12.7 166 166 A E H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.910 112.8 51.0 -65.5 -42.0 40.5 46.8 -9.5 167 167 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.932 106.6 54.4 -61.5 -42.6 43.2 49.4 -8.5 168 168 A I H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.937 109.0 49.0 -55.9 -46.3 40.7 52.3 -9.0 169 169 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.894 112.3 47.8 -62.2 -40.4 38.3 50.5 -6.6 170 170 A D H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.937 113.0 49.2 -65.2 -43.5 41.2 50.0 -4.0 171 171 A I H X S+ 0 0 1 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.960 116.5 39.4 -61.3 -54.9 42.3 53.7 -4.3 172 172 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.899 113.2 55.9 -67.8 -30.7 38.9 55.2 -3.9 173 173 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.907 111.0 46.1 -64.8 -38.9 37.9 52.6 -1.2 174 174 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.927 110.8 51.4 -68.0 -43.1 41.0 53.8 0.7 175 175 A L H X S+ 0 0 9 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.887 109.7 50.4 -61.0 -36.3 40.2 57.5 0.2 176 176 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.929 107.6 53.6 -67.4 -39.6 36.7 56.9 1.5 177 177 A E H X>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.3 4,-0.6 0.911 112.0 44.8 -61.2 -36.2 38.2 55.2 4.5 178 178 A F H <5S+ 0 0 31 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.886 110.0 55.9 -72.2 -38.6 40.4 58.3 5.1 179 179 A Y H <5S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 111.1 42.1 -61.5 -39.4 37.4 60.5 4.5 180 180 A A H <5S- 0 0 38 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.652 104.2-136.7 -82.4 -10.7 35.3 58.8 7.2 181 181 A N T <5 + 0 0 121 -4,-0.6 2,-1.4 -3,-0.5 -3,-0.2 0.868 43.8 161.6 57.6 42.6 38.5 58.8 9.4 182 182 A K S > S+ 0 0 0 -2,-0.5 3,-1.6 12,-0.2 4,-1.3 0.447 75.9 140.6 79.4 17.9 39.9 44.7 4.0 190 190 A E T 34 + 0 0 36 1,-0.3 10,-0.2 2,-0.2 9,-0.1 0.766 66.0 60.1 -70.1 -25.0 41.7 44.6 7.3 191 191 A D T 34 S+ 0 0 41 1,-0.2 -1,-0.3 -58,-0.1 -55,-0.1 0.782 118.5 26.9 -75.0 -22.2 38.6 45.2 9.4 192 192 A V T <4 S+ 0 0 1 -3,-1.6 -61,-1.9 -59,-0.1 2,-0.3 0.436 95.5 103.3-120.0 0.2 36.8 42.1 8.1 193 193 A Y B < S-J 130 0C 64 -4,-1.3 -63,-0.3 1,-0.2 4,-0.2 -0.703 94.3 -20.0 -85.7 133.9 39.7 39.6 7.2 194 194 A T > - 0 0 17 -65,-3.7 3,-2.5 -2,-0.3 -1,-0.2 0.848 62.3-155.3 33.4 81.7 40.6 36.6 9.4 195 195 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.792 88.6 59.2 -54.8 -25.3 39.1 37.7 12.7 196 196 A G T 3 S+ 0 0 78 -68,-0.4 2,-0.4 1,-0.1 -2,-0.1 0.356 96.7 61.8 -85.6 2.7 41.7 35.5 14.5 197 197 A I S X S- 0 0 100 -3,-2.5 3,-0.6 -4,-0.2 2,-0.1 -0.978 73.9-145.6-123.7 122.4 45.0 37.1 13.2 198 198 A S T 3 S+ 0 0 122 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.518 73.9 23.7 -87.0 162.3 45.8 40.7 14.0 199 199 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.499 92.7 102.8 81.4 -5.1 47.7 43.0 11.6 200 200 A D < + 0 0 30 -3,-0.6 2,-0.3 -7,-0.2 -1,-0.2 -0.527 39.8 178.7-106.2-173.2 47.0 41.4 8.2 201 201 A S - 0 0 2 -2,-0.2 -12,-0.2 -3,-0.1 3,-0.1 -0.951 43.8 -95.1-170.9 175.4 44.6 42.3 5.3 202 202 A L S S- 0 0 55 -14,-2.0 2,-0.3 -2,-0.3 -13,-0.1 0.794 102.1 -4.7 -72.4 -44.2 43.7 41.1 1.8 203 203 A R E -K 188 0D 27 -15,-1.0 -15,-3.2 -3,-0.1 2,-0.4 -0.969 62.9-138.0-146.7 161.3 46.0 43.4 -0.0 204 204 A S E -K 187 0D 1 -2,-0.3 -17,-0.2 -17,-0.3 7,-0.1 -0.990 7.6-170.1-125.1 130.1 48.4 46.2 0.8 205 205 A M S S+ 0 0 0 -19,-3.2 37,-0.2 -2,-0.4 -18,-0.2 0.813 91.7 52.1 -82.7 -29.8 48.7 49.4 -1.3 206 206 A S S S+ 0 0 32 -20,-1.0 -1,-0.1 1,-0.3 -19,-0.1 0.883 133.5 7.2 -79.1 -26.5 51.9 50.6 0.5 207 207 A D > + 0 0 68 -21,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.591 66.0 176.3-152.2 80.4 53.7 47.3 -0.0 208 208 A P G > >S+ 0 0 0 0, 0.0 5,-2.0 0, 0.0 3,-1.4 0.834 77.2 68.7 -58.8 -29.9 51.8 44.9 -2.3 209 209 A A G > 5S+ 0 0 43 1,-0.3 3,-2.5 3,-0.3 6,-0.0 0.760 77.0 81.3 -68.2 -15.6 54.6 42.3 -2.2 210 210 A K G < 5S+ 0 0 116 -3,-1.7 -1,-0.3 1,-0.3 -7,-0.0 0.840 105.3 32.6 -57.3 -32.9 53.9 41.6 1.5 211 211 A Y G < 5S- 0 0 76 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.117 128.7 -96.5-105.2 12.5 51.1 39.3 0.2 212 212 A G T < 5S+ 0 0 64 -3,-2.5 -3,-0.3 1,-0.3 -2,-0.1 0.602 78.4 138.2 86.0 10.5 53.0 38.3 -2.9 213 213 A D < - 0 0 26 -5,-2.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.672 61.2 -97.4 -88.6 151.4 51.4 40.8 -5.4 214 214 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.319 31.3-175.2 -62.9 147.5 53.7 42.5 -7.8 215 215 A D S S+ 0 0 13 1,-0.2 2,-0.3 -7,-0.1 3,-0.0 0.159 71.3 47.0-126.9 19.5 55.0 46.0 -7.0 216 216 A H S > S- 0 0 38 1,-0.1 3,-2.4 98,-0.1 98,-0.2 -0.965 83.4-118.4-157.4 147.8 56.7 46.6 -10.4 217 217 A Y G > S+ 0 0 58 96,-3.8 3,-1.6 -2,-0.3 97,-0.1 0.767 111.3 64.0 -64.3 -26.4 55.7 46.1 -14.0 218 218 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 95,-0.2 96,-0.1 0.688 102.2 50.8 -71.1 -13.3 58.5 43.5 -14.5 219 219 A K G < S+ 0 0 121 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.296 81.3 137.7-104.7 12.0 56.8 41.2 -12.0 220 220 A R < - 0 0 100 -3,-1.6 2,-0.5 -4,-0.1 9,-0.1 -0.172 59.3-113.1 -61.6 154.5 53.4 41.4 -13.6 221 221 A Y - 0 0 77 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.709 31.3-178.7 -87.1 126.1 51.4 38.1 -13.8 222 222 A T + 0 0 114 -2,-0.5 -1,-0.1 -63,-0.0 -2,-0.1 0.384 47.2 94.4-108.8 1.2 51.0 37.1 -17.4 223 223 A G S S- 0 0 29 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.156 81.1-102.8 -75.1-155.5 48.8 33.9 -17.1 224 224 A T S > S+ 0 0 126 4,-0.1 4,-0.9 3,-0.1 3,-0.4 0.607 75.3 109.8-114.6 -14.4 45.1 33.3 -17.3 225 225 A Q H >> S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 3,-0.7 -0.223 80.9 20.8 -62.2 156.6 43.9 32.9 -13.7 226 226 A D H 3> S- 0 0 50 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.942 138.4 -59.0 54.5 42.8 41.8 35.6 -12.1 227 227 A N H 34 S- 0 0 86 -3,-0.4 -68,-2.4 1,-0.3 -1,-0.3 0.838 112.7 -37.6 54.4 43.6 40.8 37.0 -15.5 228 228 A G H << S- 0 0 7 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.798 116.1 -54.6 81.1 27.3 44.4 37.6 -16.4 229 229 A G H >X S+ 0 0 0 -4,-2.1 4,-2.8 -3,-0.2 3,-0.7 0.776 78.4 156.6 83.5 31.5 45.5 38.8 -12.9 230 230 A V T 3< S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.3 -64,-0.2 0.824 82.0 37.7 -65.5 -34.1 43.0 41.6 -12.2 231 231 A H T 34 S+ 0 0 63 -5,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.571 122.7 45.7 -86.5 -10.3 43.4 41.2 -8.5 232 232 A I T X4 S+ 0 0 46 -3,-0.7 3,-2.0 -6,-0.2 4,-0.2 0.899 112.6 43.1 -95.3 -52.6 47.2 40.5 -8.8 233 233 A N T >X S+ 0 0 9 -4,-2.8 3,-1.3 1,-0.3 4,-0.7 0.657 94.1 81.5 -74.4 -8.0 48.5 43.1 -11.2 234 234 A S H 3> S+ 0 0 0 -5,-0.5 4,-2.6 -4,-0.3 3,-0.4 0.809 77.4 74.5 -65.1 -24.6 46.4 45.8 -9.5 235 235 A G H <> S+ 0 0 2 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.845 88.4 58.2 -55.8 -32.1 49.3 45.9 -7.0 236 236 A I H <> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.2 -1,-0.2 0.917 112.4 38.7 -63.3 -42.5 51.5 47.8 -9.6 237 237 A I H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.4 -2,-0.2 0.860 113.1 55.7 -76.9 -36.4 49.0 50.6 -9.8 238 238 A N H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.913 108.8 48.4 -58.9 -46.3 48.2 50.6 -6.1 239 239 A K H X S+ 0 0 22 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.943 110.5 51.6 -62.1 -41.6 51.9 51.1 -5.3 240 240 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.936 111.1 46.9 -60.9 -38.8 52.0 53.9 -7.8 241 241 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.900 110.4 52.8 -72.0 -34.2 49.0 55.6 -6.3 242 242 A Y H X S+ 0 0 57 -4,-2.4 4,-3.3 -37,-0.2 5,-0.5 0.916 110.8 48.0 -63.3 -44.6 50.5 55.2 -2.8 243 243 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 3,-0.2 -2,-0.2 0.926 108.4 53.2 -63.6 -41.3 53.8 56.8 -3.9 244 244 A I H < S+ 0 0 0 -4,-2.3 14,-3.1 -5,-0.3 15,-0.5 0.945 119.6 35.6 -59.1 -44.9 52.0 59.7 -5.6 245 245 A S H < S+ 0 0 4 -4,-2.0 14,-1.9 12,-0.2 -2,-0.2 0.932 134.2 21.1 -71.2 -54.1 50.2 60.4 -2.3 246 246 A Q H < S- 0 0 86 -4,-3.3 11,-0.4 -5,-0.2 -3,-0.2 0.699 93.3-140.7 -98.8 -20.8 52.8 59.5 0.3 247 247 A G < + 0 0 11 -4,-2.4 2,-0.2 -5,-0.5 9,-0.2 -0.076 34.6 143.3 81.8 170.0 56.1 59.7 -1.5 248 248 A G E -L 255 0E 35 7,-2.3 7,-2.5 -4,-0.1 2,-0.5 -0.755 50.7 -83.4 143.3 175.1 59.1 57.3 -1.0 249 249 A T E +L 254 0E 91 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.956 40.9 179.5-118.7 127.1 61.9 55.6 -2.9 250 250 A H E > S-L 253 0E 18 3,-2.4 3,-2.3 -2,-0.5 -2,-0.0 -0.997 70.9 -13.2-138.1 121.9 61.0 52.4 -4.8 251 251 A Y T 3 S- 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.844 131.5 -52.6 48.7 41.7 63.6 50.4 -6.8 252 252 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.456 112.4 120.0 85.0 -0.4 65.9 53.4 -6.6 253 253 A V E < -L 250 0E 40 -3,-2.3 -3,-2.4 59,-0.1 2,-0.4 -0.876 53.0-146.4-107.1 126.3 63.3 55.9 -7.9 254 254 A S E -L 249 0E 71 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.746 14.4-172.8 -96.1 133.5 62.4 58.8 -5.6 255 255 A V E -L 248 0E 8 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.6 -0.988 18.1-141.2-125.5 126.3 58.9 60.3 -5.5 256 256 A V - 0 0 83 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.784 29.1-125.3 -82.9 128.8 57.8 63.4 -3.6 257 257 A G - 0 0 30 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.389 22.8-171.6 -75.0 148.1 54.4 62.8 -2.2 258 258 A I - 0 0 27 -14,-3.1 4,-0.4 1,-0.2 -13,-0.2 0.383 46.2-111.5-118.4 -1.0 51.6 65.3 -3.0 259 259 A G > - 0 0 24 -14,-1.9 4,-1.8 -15,-0.5 3,-0.2 0.125 28.1 -74.1 99.1 171.3 49.0 64.0 -0.6 260 260 A R H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.753 118.8 58.1 -79.7 -39.8 45.6 62.2 -0.8 261 261 A D H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 111.5 40.9 -60.0 -47.8 43.4 65.0 -1.8 262 262 A K H > S+ 0 0 74 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.842 111.7 58.2 -68.6 -36.0 45.3 65.7 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.941 108.9 44.9 -52.9 -52.1 45.7 61.9 -5.6 264 264 A G H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.895 113.0 51.4 -59.4 -41.9 41.9 61.6 -5.6 265 265 A K H X S+ 0 0 103 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.934 112.2 45.2 -67.5 -42.7 41.5 64.7 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.927 116.7 43.9 -64.4 -48.4 43.9 63.4 -10.5 267 267 A F H X S+ 0 0 1 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.878 112.3 51.8 -68.9 -35.2 42.6 59.8 -10.6 268 268 A Y H X S+ 0 0 32 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.924 112.3 47.0 -63.4 -45.0 38.9 60.9 -10.6 269 269 A R H X>S+ 0 0 73 -4,-2.0 4,-1.9 -5,-0.3 5,-0.6 0.950 112.8 48.7 -60.4 -47.0 39.6 63.2 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-1.8 0.953 114.5 47.3 -59.1 -43.6 41.6 60.4 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.9 -118,-0.4 1,-0.2 -1,-0.2 0.896 118.7 37.0 -63.7 -44.8 38.7 58.0 -14.7 272 272 A T H <5S+ 0 0 42 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.624 130.4 25.0 -90.4 -12.7 35.9 60.3 -15.8 273 273 A Q H <5S+ 0 0 117 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.701 128.1 21.7-121.7 -27.5 37.5 62.1 -18.7 274 274 A Y T < - 0 0 63 -2,-0.1 3,-1.7 -122,-0.1 -120,-0.1 -0.776 41.0 -87.3-128.5 174.3 38.2 54.0 -22.0 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.794 125.5 37.0 -57.9 -31.5 37.1 50.4 -21.8 278 278 A T T 3 S+ 0 0 101 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.192 80.0 143.8-110.7 19.7 40.4 49.0 -23.1 279 279 A S < - 0 0 4 -3,-1.7 -115,-0.2 -126,-0.1 2,-0.2 -0.288 32.8-157.2 -57.5 138.8 42.9 51.3 -21.5 280 280 A N > - 0 0 63 -120,-0.1 4,-2.5 -119,-0.1 5,-0.2 -0.458 35.7 -87.0-109.8-174.0 46.1 49.6 -20.5 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 127.1 52.4 -63.6 -38.4 48.7 50.6 -17.9 282 282 A S H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 111.0 48.3 -64.4 -33.9 50.7 52.8 -20.3 283 283 A Q H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.932 107.4 55.8 -74.1 -31.3 47.4 54.6 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.932 105.9 52.0 -60.9 -44.2 46.6 55.1 -17.5 285 285 A R H X S+ 0 0 36 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.941 111.6 45.8 -57.3 -48.9 50.0 56.8 -17.1 286 286 A A H X S+ 0 0 62 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.885 113.0 50.5 -63.4 -35.7 49.3 59.2 -19.9 287 287 A A H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.920 111.8 46.8 -68.3 -41.0 45.8 59.8 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.896 112.6 50.0 -70.2 -39.7 47.0 60.6 -15.1 289 289 A V H X S+ 0 0 26 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.934 112.7 46.5 -60.8 -47.3 49.8 62.9 -16.5 290 290 A Q H X S+ 0 0 85 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.876 112.1 51.3 -59.7 -41.8 47.3 64.8 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.913 111.4 46.0 -62.1 -46.5 44.8 65.0 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.866 112.6 52.9 -64.6 -34.5 47.5 66.4 -13.4 293 293 A T H X S+ 0 0 36 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.970 108.6 49.4 -64.1 -49.0 48.5 68.8 -16.2 294 294 A D H < S+ 0 0 60 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 119.9 36.6 -51.2 -48.9 45.0 70.0 -16.6 295 295 A L H < S+ 0 0 67 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.829 134.6 15.2 -76.9 -40.1 44.6 70.7 -12.9 296 296 A Y H < S- 0 0 61 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.468 106.1 -96.0-122.1 -3.3 48.1 71.9 -11.9 297 297 A G >< - 0 0 31 -4,-2.7 3,-1.6 -5,-0.4 6,-0.4 0.160 34.5 -91.6 97.9 144.8 50.1 72.9 -15.0 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.715 125.2 47.7 -69.1 -16.9 52.7 71.0 -17.0 299 299 A T T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.305 88.1 121.5-109.1 16.7 55.6 72.3 -15.0 300 300 A S S <> S- 0 0 17 -3,-1.6 4,-2.1 1,-0.1 5,-0.1 -0.265 73.5-122.6 -71.9 159.6 54.0 71.6 -11.6 301 301 A Q H > S+ 0 0 100 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 112.5 63.6 -61.1 -37.0 55.4 69.3 -8.9 302 302 A E H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 104.0 43.7 -60.6 -47.0 52.2 67.3 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.3 -11,-0.2 -1,-0.2 0.931 112.7 54.3 -60.8 -43.9 52.8 66.3 -12.8 304 304 A A H X S+ 0 0 42 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 108.7 47.9 -57.5 -45.4 56.5 65.6 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.841 107.0 54.9 -64.5 -38.3 55.4 63.2 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 5,-0.2 0.932 110.8 47.7 -60.6 -42.3 52.9 61.3 -11.2 307 307 A K H X S+ 0 0 87 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.903 111.9 47.8 -63.0 -46.7 55.7 60.7 -13.7 308 308 A Q H X S+ 0 0 76 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.895 109.5 53.8 -60.5 -42.0 58.2 59.5 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.906 112.4 42.7 -59.2 -47.6 55.6 57.2 -9.4 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 4,-0.4 0.907 114.1 52.0 -68.9 -38.5 54.9 55.4 -12.7 311 311 A D H ><5S+ 0 0 45 -4,-2.8 3,-1.3 -5,-0.2 -2,-0.2 0.927 106.1 55.7 -58.7 -40.3 58.6 55.4 -13.5 312 312 A A H 3<5S+ 0 0 1 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 110.9 42.8 -64.5 -32.6 59.2 53.8 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-3.8 -3,-0.2 -1,-0.3 0.366 119.5-110.7 -93.8 8.2 56.8 50.9 -10.8 314 314 A G T < 5 + 0 0 13 -3,-1.3 2,-0.7 -4,-0.4 -3,-0.2 0.772 69.0 141.7 77.6 26.2 58.2 50.5 -14.3 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.892 360.0 360.0-104.8 111.9 55.2 51.7 -16.3 316 316 A K 0 0 155 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.624 360.0 360.0-108.7 360.0 56.2 53.8 -19.3