==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUN-01 1JF6 . COMPND 2 MOLECULE: ALPHA AMYLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR A.OHTAKI,S.KONDO,Y.SHIMURA,T.TONOZUKA,Y.SAKANO,S.KAMITORI . 1170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 810 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 197 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 100 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 9 2 2 2 0 2 0 4 4 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 7 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 0 PARALLEL BRIDGES PER LADDER . 10 5 6 6 3 2 4 2 2 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 . 1 2 0 2 4 0 0 2 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 M 0 0 47 0, 0.0 2,-1.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 168.4 20.5 34.1 21.8 2 2 A L > + 0 0 54 1,-0.2 3,-2.2 2,-0.1 28,-0.3 -0.633 360.0 178.5 -87.6 89.4 23.7 34.5 23.8 3 3 A L G > S+ 0 0 30 -2,-1.4 3,-1.8 1,-0.3 -1,-0.2 0.833 78.1 66.8 -59.3 -32.6 23.7 31.5 26.1 4 4 A E G 3 S+ 0 0 33 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.550 100.2 53.0 -66.4 -6.0 27.1 32.5 27.5 5 5 A A G < S+ 0 0 3 -3,-2.2 2,-0.4 25,-0.0 -1,-0.3 0.469 87.7 93.9-107.7 -2.8 25.3 35.6 28.9 6 6 A I < - 0 0 12 -3,-1.8 2,-0.3 -4,-0.3 23,-0.2 -0.751 57.3-172.4 -93.5 136.0 22.5 33.7 30.8 7 7 A F B +A 28 0A 22 21,-2.1 21,-1.8 -2,-0.4 2,-0.3 -0.951 16.5 145.5-134.5 150.7 23.1 33.0 34.4 8 8 A H - 0 0 10 -2,-0.3 2,-0.3 19,-0.2 19,-0.1 -0.931 14.8-170.5-172.5 153.8 21.7 31.1 37.3 9 9 A E - 0 0 25 17,-0.3 2,-2.8 -2,-0.3 17,-0.2 -0.974 35.7-116.7-151.9 140.9 22.6 29.1 40.4 10 10 A A S S+ 0 0 25 -2,-0.3 2,-0.3 102,-0.1 5,-0.0 -0.205 93.7 26.9 -74.5 50.9 20.5 27.0 42.8 11 11 A K S >> S+ 0 0 57 -2,-2.8 3,-2.1 5,-0.1 4,-1.1 -0.962 89.3 46.8-178.3-167.5 21.2 29.3 45.7 12 12 A G T 34 S- 0 0 4 -2,-0.3 3,-0.1 1,-0.3 393,-0.1 -0.201 120.6 -18.6 53.0-126.1 22.1 32.7 46.9 13 13 A S T 34 S+ 0 0 8 1,-0.2 -1,-0.3 391,-0.1 3,-0.1 0.390 138.0 56.4 -96.0 3.7 20.0 35.4 45.3 14 14 A Y T <4 S+ 0 0 21 -3,-2.1 12,-2.5 1,-0.3 2,-0.3 0.566 115.2 25.6-108.5 -11.5 18.8 33.3 42.4 15 15 A A E < S+B 25 0A 1 -4,-1.1 -1,-0.3 10,-0.2 10,-0.2 -0.856 76.3 129.4-155.2 113.0 17.3 30.4 44.3 16 16 A Y E -B 24 0A 14 8,-1.5 8,-2.7 -2,-0.3 2,-0.2 -0.987 50.9-104.1-162.0 152.3 15.9 30.6 47.8 17 17 A P E -B 23 0A 5 0, 0.0 105,-0.5 0, 0.0 6,-0.2 -0.534 20.3-178.2 -83.3 151.6 12.8 29.7 49.7 18 18 A I S S+ 0 0 41 4,-2.4 2,-0.3 1,-0.2 5,-0.1 0.521 79.9 15.5-115.2 -17.4 10.3 32.4 50.8 19 19 A S S S- 0 0 29 3,-1.2 3,-0.3 1,-0.0 -1,-0.2 -0.799 94.1 -92.6-141.0-179.4 8.1 29.9 52.6 20 20 A E S S+ 0 0 68 -2,-0.3 96,-0.1 1,-0.2 3,-0.0 0.751 125.8 25.1 -72.9 -20.1 8.6 26.4 53.8 21 21 A T S S+ 0 0 55 1,-0.1 54,-2.7 56,-0.0 2,-0.5 0.270 106.7 84.2-126.4 10.7 7.2 25.0 50.6 22 22 A Q E - C 0 74A 62 -3,-0.3 -4,-2.4 52,-0.2 -3,-1.2 -0.948 53.6-163.9-126.4 118.1 7.8 27.7 48.0 23 23 A L E -BC 17 73A 0 50,-1.7 50,-2.9 -2,-0.5 2,-0.2 -0.853 9.2-150.7-103.8 120.1 11.1 28.2 46.1 24 24 A R E -BC 16 72A 42 -8,-2.7 -8,-1.5 -2,-0.6 2,-0.4 -0.606 12.6-163.3 -85.4 143.9 11.8 31.5 44.3 25 25 A V E -BC 15 71A 1 46,-2.8 46,-2.5 -2,-0.2 2,-0.4 -0.993 7.9-169.7-134.1 135.0 14.0 31.5 41.1 26 26 A R E + C 0 70A 6 -12,-2.5 2,-0.3 -2,-0.4 -17,-0.3 -0.928 5.8 179.9-119.4 146.0 15.8 34.3 39.3 27 27 A L E - C 0 69A 1 42,-2.3 42,-3.3 -2,-0.4 2,-0.3 -0.995 8.4-160.5-143.4 134.8 17.4 34.0 35.9 28 28 A R E +AC 7 68A 33 -21,-1.8 -21,-2.1 -2,-0.3 2,-0.3 -0.908 12.6 169.3-121.7 154.5 19.2 36.8 34.0 29 29 A A E - C 0 67A 0 38,-1.6 38,-2.5 -2,-0.3 -23,-0.2 -0.969 49.4 -68.1-152.2 159.4 20.1 37.2 30.4 30 30 A K E >> - C 0 66A 70 -28,-0.3 3,-2.2 -2,-0.3 4,-0.7 -0.171 68.8 -91.6 -52.1 139.0 21.4 40.0 28.1 31 31 A K T 34 S+ 0 0 104 34,-1.8 -1,-0.2 1,-0.3 36,-0.0 -0.376 113.0 8.2 -56.5 122.0 18.8 42.7 27.8 32 32 A G T 34 S+ 0 0 50 2,-0.4 -1,-0.3 -2,-0.2 -2,-0.1 0.229 102.4 102.1 92.9 -16.9 16.7 41.9 24.7 33 33 A D T <4 S+ 0 0 25 -3,-2.2 2,-0.4 1,-0.1 -2,-0.2 0.807 83.7 36.7 -69.0 -34.5 18.3 38.5 24.3 34 34 A V < + 0 0 4 -4,-0.7 -2,-0.4 54,-0.2 54,-0.2 -0.970 52.8 179.2-122.6 140.2 15.4 36.5 25.8 35 35 A V S S+ 0 0 93 52,-2.3 2,-0.4 -2,-0.4 53,-0.2 0.709 73.1 29.0-106.5 -31.0 11.7 37.2 25.4 36 36 A R E -E 87 0B 83 51,-2.0 51,-2.7 22,-0.0 2,-0.5 -0.993 56.0-175.7-139.3 133.5 10.1 34.3 27.4 37 37 A C E +E 86 0B 1 20,-0.5 20,-2.2 -2,-0.4 2,-0.4 -0.978 9.8 176.0-129.1 116.9 11.4 32.3 30.3 38 38 A E E -EF 85 56B 27 47,-2.4 47,-2.7 -2,-0.5 2,-0.5 -0.948 18.3-143.4-121.9 145.5 9.4 29.4 31.7 39 39 A V E -EF 84 55B 0 16,-3.3 16,-1.3 -2,-0.4 2,-0.5 -0.912 7.7-165.2-113.9 124.2 10.3 26.9 34.4 40 40 A L E +EF 83 54B 11 43,-2.4 43,-2.5 -2,-0.5 2,-0.3 -0.929 25.4 162.4-105.9 127.2 9.4 23.2 34.4 41 41 A Y E +EF 82 53B 25 12,-1.8 12,-3.0 -2,-0.5 2,-0.3 -0.911 16.4 163.3-142.1 167.4 9.8 21.5 37.7 42 42 A A E -E 81 0B 11 39,-2.1 39,-2.2 -2,-0.3 10,-0.1 -0.960 51.2 -61.6-172.5 166.3 9.0 18.5 39.8 43 43 A D > - 0 0 24 -2,-0.3 3,-2.1 37,-0.2 37,-0.2 -0.320 50.7-119.2 -59.1 141.0 10.0 16.6 43.0 44 44 A R T 3 S+ 0 0 38 1,-0.3 -1,-0.1 70,-0.1 36,-0.1 0.773 112.4 47.6 -56.0 -28.7 13.6 15.3 42.7 45 45 A Y T 3 S+ 0 0 64 34,-0.1 -1,-0.3 828,-0.1 829,-0.1 0.378 80.7 132.7 -96.9 7.6 12.5 11.7 43.0 46 46 A A S < S- 0 0 15 -3,-2.1 -4,-0.0 1,-0.1 6,-0.0 -0.252 70.1 -96.6 -58.5 140.0 9.6 11.9 40.5 47 47 A S > - 0 0 62 1,-0.1 3,-1.9 2,-0.1 -1,-0.1 -0.346 30.5-119.4 -59.7 140.4 9.6 9.0 38.0 48 48 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.534 113.4 52.5 -59.7 -9.3 11.4 10.0 34.7 49 49 A E T 3 S+ 0 0 190 2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.562 87.5 104.4-103.3 -12.2 8.1 9.3 32.9 50 50 A E S < S- 0 0 107 -3,-1.9 2,-0.2 1,-0.1 -4,-0.0 -0.253 77.4 -99.8 -69.5 155.1 5.9 11.5 35.0 51 51 A E - 0 0 150 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.514 33.9-132.0 -78.1 143.7 4.6 15.0 33.9 52 52 A L - 0 0 30 -2,-0.2 2,-0.2 -10,-0.1 -10,-0.2 -0.585 16.0-114.9 -94.8 156.2 6.3 18.2 35.1 53 53 A A E -F 41 0B 38 -12,-3.0 -12,-1.8 -2,-0.2 2,-0.3 -0.573 28.0-135.7 -85.4 153.3 4.7 21.3 36.6 54 54 A H E -F 40 0B 109 -14,-0.2 2,-0.3 -2,-0.2 -14,-0.2 -0.873 20.4-179.1-113.7 146.1 4.9 24.7 34.6 55 55 A A E -F 39 0B 11 -16,-1.3 -16,-3.3 -2,-0.3 2,-0.4 -0.909 20.7-137.4-148.0 117.4 5.8 28.1 36.0 56 56 A L E -F 38 0B 125 -2,-0.3 2,-0.9 -18,-0.2 16,-0.3 -0.593 13.5-147.0 -80.4 124.2 5.9 31.4 34.1 57 57 A A - 0 0 7 -20,-2.2 -20,-0.5 -2,-0.4 14,-0.3 -0.752 15.7-150.7 -94.3 101.4 8.9 33.6 35.0 58 58 A G E -D 70 0A 39 12,-1.0 12,-2.5 -2,-0.9 2,-1.1 -0.228 28.7 -99.9 -67.6 156.1 7.9 37.3 34.6 59 59 A K E -D 69 0A 122 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.673 40.4-175.8 -76.1 106.6 10.4 40.0 33.7 60 60 A A E - 0 0 1 8,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.641 57.3 -52.0 -79.4 -16.4 11.0 41.3 37.2 61 61 A G E -D 68 0A 11 7,-1.1 7,-2.5 445,-0.1 2,-0.3 -0.896 46.7-130.2 161.4 174.9 13.2 44.1 36.0 62 62 A S E -D 67 0A 32 -2,-0.3 5,-0.2 5,-0.2 337,-0.2 -0.984 16.3-164.2-153.8 140.1 16.2 45.0 33.8 63 63 A D - 0 0 3 3,-1.5 333,-0.1 -2,-0.3 334,-0.1 -0.244 53.4 -52.2-109.9-154.4 19.3 47.1 34.5 64 64 A E S S- 0 0 94 1,-0.2 332,-0.0 329,-0.1 333,-0.0 0.877 130.6 -5.2 -48.2 -50.2 22.1 48.7 32.4 65 65 A R S S+ 0 0 71 331,-0.1 -34,-1.8 524,-0.0 2,-0.3 0.424 118.4 72.4-129.4 -2.4 22.9 45.5 30.5 66 66 A F E -C 30 0A 14 -36,-0.2 -3,-1.5 -34,-0.0 2,-0.4 -0.806 57.2-142.9-120.9 164.3 20.9 42.6 31.9 67 67 A D E -CD 29 62A 5 -38,-2.5 -38,-1.6 -2,-0.3 2,-0.5 -0.915 20.2-149.5-116.1 141.6 17.3 41.3 31.9 68 68 A Y E -CD 28 61A 13 -7,-2.5 -8,-2.1 -2,-0.4 -7,-1.1 -0.956 11.1-172.2-125.2 124.5 15.9 39.7 35.1 69 69 A F E -CD 27 59A 4 -42,-3.3 -42,-2.3 -2,-0.5 2,-0.4 -0.919 4.8-172.9-113.3 134.0 13.3 36.9 35.2 70 70 A E E +CD 26 58A 34 -12,-2.5 -12,-1.0 -2,-0.5 2,-0.3 -0.982 5.9 173.8-129.8 136.1 11.7 35.8 38.4 71 71 A A E -C 25 0A 4 -46,-2.5 -46,-2.8 -2,-0.4 2,-0.5 -0.965 24.2-132.5-138.3 154.9 9.4 32.8 39.0 72 72 A L E -C 24 0A 50 -2,-0.3 2,-0.4 -16,-0.3 -48,-0.2 -0.937 18.8-156.7-114.2 122.8 7.8 31.0 42.0 73 73 A L E -C 23 0A 0 -50,-2.9 -50,-1.7 -2,-0.5 2,-0.8 -0.785 12.3-136.1-101.8 136.7 7.9 27.3 42.2 74 74 A E E +C 22 0A 99 -2,-0.4 2,-0.6 -52,-0.2 -52,-0.2 -0.805 26.0 175.6 -92.1 109.5 5.4 25.2 44.3 75 75 A C > + 0 0 4 -54,-2.7 3,-1.0 -2,-0.8 41,-0.1 -0.750 13.4 164.6-117.8 84.1 7.3 22.5 46.2 76 76 A S T 3 S+ 0 0 110 -2,-0.6 -1,-0.2 1,-0.3 -54,-0.1 0.763 83.3 54.2 -65.9 -25.4 4.9 20.6 48.5 77 77 A T T 3 S- 0 0 48 2,-0.3 -1,-0.3 -3,-0.2 39,-0.1 0.581 105.2-131.8 -83.1 -11.2 7.6 17.9 48.8 78 78 A K S < S+ 0 0 23 -3,-1.0 38,-2.0 -57,-0.2 2,-0.4 0.550 82.4 92.7 70.3 7.0 10.0 20.6 49.9 79 79 A R + 0 0 10 36,-0.2 2,-0.3 -58,-0.1 -2,-0.3 -0.984 56.6 178.3-129.7 138.5 12.4 19.0 47.4 80 80 A V E - G 0 113B 1 33,-1.4 33,-2.1 -2,-0.4 2,-0.3 -0.999 23.5-174.1-151.6 148.3 12.7 20.2 43.8 81 81 A K E +EG 42 112B 49 -39,-2.2 -39,-2.1 -2,-0.3 2,-0.3 -0.975 24.3 170.7-131.6 143.4 14.5 19.8 40.5 82 82 A Y E -EG 41 111B 2 29,-2.8 29,-2.5 -2,-0.3 2,-0.3 -0.999 22.2-157.4-158.2 156.6 13.9 22.1 37.5 83 83 A V E -E 40 0B 6 -43,-2.5 -43,-2.4 -2,-0.3 2,-0.3 -0.953 23.1-123.1-132.7 151.0 15.0 23.2 34.1 84 84 A F E -EH 39 96B 1 12,-3.5 12,-2.8 -2,-0.3 2,-0.6 -0.756 10.5-159.2 -98.6 143.7 14.5 26.4 32.2 85 85 A L E -EH 38 95B 24 -47,-2.7 -47,-2.4 -2,-0.3 2,-0.5 -0.967 17.1-171.2-118.0 109.8 12.9 26.8 28.8 86 86 A L E -EH 37 94B 0 8,-3.3 8,-1.4 -2,-0.6 2,-0.4 -0.915 5.2-164.8-110.1 129.0 14.0 30.1 27.2 87 87 A T E -EH 36 93B 31 -51,-2.7 -52,-2.3 -2,-0.5 -51,-2.0 -0.915 10.0-147.9-113.5 134.8 12.5 31.4 24.0 88 88 A G > - 0 0 5 4,-2.2 3,-1.7 -2,-0.4 -54,-0.2 -0.218 36.9 -89.1 -92.1-179.7 14.0 34.2 21.9 89 89 A P T 3 S+ 0 0 66 0, 0.0 -55,-0.1 0, 0.0 -1,-0.1 0.775 128.2 49.7 -59.9 -23.4 12.7 37.0 19.7 90 90 A Q T 3 S- 0 0 155 2,-0.1 3,-0.1 0, 0.0 -2,-0.0 0.004 120.6-103.4-106.3 25.3 12.7 34.5 16.8 91 91 A G S < S+ 0 0 54 -3,-1.7 2,-0.2 1,-0.2 0, 0.0 0.351 70.3 149.9 73.0 -7.0 10.9 31.6 18.5 92 92 A E - 0 0 79 -5,-0.1 -4,-2.2 1,-0.0 2,-0.3 -0.407 30.8-159.0 -62.2 124.8 14.2 29.8 19.0 93 93 A A E +H 87 0B 57 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.767 17.8 168.8-110.2 153.5 13.8 27.6 22.1 94 94 A V E -H 86 0B 15 -8,-1.4 -8,-3.3 -2,-0.3 2,-0.4 -0.948 28.0-127.6-162.1 140.4 16.4 26.1 24.4 95 95 A Y E -HI 85 102B 54 7,-2.4 7,-1.1 -2,-0.3 2,-0.5 -0.723 17.6-155.5 -93.3 139.2 16.4 24.5 27.8 96 96 A F E +HI 84 101B 17 -12,-2.8 -12,-3.5 -2,-0.4 2,-0.2 -0.963 29.3 146.7-118.1 120.1 18.8 25.7 30.5 97 97 A G - 0 0 1 3,-1.9 3,-0.5 -2,-0.5 13,-0.2 -0.803 63.9 -79.5-139.7-176.3 19.8 23.3 33.2 98 98 A E S S+ 0 0 31 -16,-0.3 11,-0.2 1,-0.2 3,-0.1 0.851 127.4 51.2 -57.4 -33.6 22.6 22.2 35.5 99 99 A T S S- 0 0 70 9,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.797 116.9-109.9 -75.3 -30.0 24.2 20.4 32.6 100 100 A G - 0 0 16 8,-1.4 -3,-1.9 -3,-0.5 2,-0.3 -0.979 54.2 -22.0 137.5-149.6 24.1 23.3 30.3 101 101 A F E +I 96 0B 33 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.775 56.2 149.0-108.1 148.1 22.2 24.1 27.1 102 102 A S E -I 95 0B 19 -7,-1.1 -7,-2.4 -2,-0.3 6,-0.1 -0.975 50.2-126.4-166.4 155.9 20.4 21.9 24.6 103 103 A A S S+ 0 0 81 -2,-0.3 2,-0.5 -9,-0.2 -1,-0.1 0.788 100.7 69.8 -78.3 -25.9 17.4 21.8 22.2 104 104 A E S > S- 0 0 108 1,-0.1 4,-0.9 -9,-0.1 3,-0.3 -0.789 80.2-143.4 -93.9 128.2 16.3 18.6 24.0 105 105 A R H >> S+ 0 0 110 -2,-0.5 3,-1.0 1,-0.2 4,-0.8 0.904 98.3 58.7 -57.6 -42.3 15.1 19.1 27.5 106 106 A S H >4 S+ 0 0 90 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.904 105.6 48.3 -53.3 -47.0 16.6 15.8 28.7 107 107 A K H 34 S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.624 98.5 68.4 -72.1 -15.7 20.2 16.9 27.7 108 108 A A H << S- 0 0 0 -3,-1.0 -8,-1.4 -4,-0.9 -9,-1.0 0.753 94.3-150.2 -76.2 -20.8 19.9 20.3 29.4 109 109 A G << - 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0 0 18 -3,-1.5 -4,-0.0 1,-0.1 -6,-0.0 -0.361 52.6-156.8 -64.5 140.1 26.3 77.8 65.3 161 161 A R - 0 0 124 309,-0.1 306,-0.1 -2,-0.0 -1,-0.1 -0.859 20.7-129.9-121.6 95.6 28.8 76.1 62.9 162 162 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 308,-0.1 0.045 17.1-152.4 -44.9 143.4 30.3 73.0 64.6 163 163 A R > - 0 0 112 303,-0.1 3,-2.9 304,-0.0 302,-0.0 -0.841 34.8 -98.1-115.9 155.8 34.0 72.4 64.5 164 164 A H T 3 S+ 0 0 136 -2,-0.3 -1,-0.0 1,-0.3 301,-0.0 0.786 124.8 39.3 -46.3 -31.8 35.8 69.0 64.7 165 165 A D T 3 S+ 0 0 93 2,-0.0 -1,-0.3 36,-0.0 0, 0.0 0.212 90.7 130.5-107.0 17.7 36.3 69.4 68.4 166 166 A S < - 0 0 1 -3,-2.9 2,-0.3 -13,-0.1 -13,-0.1 -0.074 37.1-162.6 -67.2 167.1 33.0 71.0 69.3 167 167 A F + 0 0 27 -15,-0.2 -13,-2.7 1,-0.1 -27,-0.1 -0.980 18.5 171.0-148.6 142.2 30.6 69.9 72.1 168 168 A Y - 0 0 2 -29,-0.3 -19,-0.1 -2,-0.3 -28,-0.1 0.429 50.8-113.5-133.4 -5.4 27.0 70.8 72.7 169 169 A G + 0 0 0 1,-0.2 -24,-0.4 -21,-0.1 -25,-0.2 0.661 47.3 174.1 81.1 17.3 25.9 68.5 75.5 170 170 A G + 0 0 0 -31,-1.4 2,-0.3 -27,-0.2 -27,-0.3 -0.301 13.3 163.2 -57.4 141.4 23.5 66.3 73.6 171 171 A D >> - 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0 0 72 -3,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.799 69.4 -60.5 55.5 29.7 22.6 72.9 46.6 431 431 A G T 3 - 0 0 58 -3,-2.4 4,-1.9 -6,-0.2 3,-0.4 -0.532 32.6-169.4 -74.1 110.4 17.1 73.6 46.6 433 433 A E H > S+ 0 0 62 -2,-0.8 4,-3.3 1,-0.2 5,-0.3 0.798 83.6 66.2 -67.6 -27.2 14.0 72.3 48.5 434 434 A A H > S+ 0 0 36 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.926 108.2 40.1 -60.1 -41.3 12.2 71.5 45.3 435 435 A K H > S+ 0 0 51 -3,-0.4 4,-2.1 -6,-0.2 -2,-0.2 0.917 116.4 49.6 -71.4 -45.3 14.8 68.8 44.7 436 436 A F H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.959 108.5 52.3 -59.4 -53.7 15.0 67.6 48.3 437 437 A R H X S+ 0 0 82 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.874 109.5 50.8 -52.7 -39.4 11.3 67.3 48.7 438 438 A L H X S+ 0 0 4 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.2 0.924 109.2 49.7 -65.0 -44.6 11.1 65.1 45.5 439 439 A A H >X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-0.7 0.956 108.9 51.5 -59.0 -51.2 13.8 62.8 46.7 440 440 A V H 3X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.832 105.1 56.9 -56.7 -35.7 12.2 62.3 50.1 441 441 A L H 3< S+ 0 0 4 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.884 111.0 44.3 -61.4 -40.7 8.9 61.5 48.3 442 442 A F H XX S+ 0 0 0 -4,-1.6 3,-1.7 -3,-0.7 4,-1.5 0.934 112.1 51.0 -69.5 -45.5 10.9 58.7 46.6 443 443 A Q H 3< S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.3 -2,-0.2 0.926 111.3 49.6 -55.9 -45.3 12.7 57.6 49.7 444 444 A M T 3< S+ 0 0 1 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.409 118.8 37.3 -76.6 -1.1 9.3 57.4 51.5 445 445 A T T <4 S+ 0 0 4 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.421 97.0 94.0-126.3 -2.2 7.7 55.3 48.6 446 446 A Y S < S- 0 0 9 -4,-1.5 2,-0.7 -3,-0.5 -31,-0.1 -0.261 87.0 -77.7 -88.2 174.6 10.5 53.0 47.5 447 447 A L S S+ 0 0 21 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.624 93.4 32.2 -77.9 115.1 11.4 49.4 48.4 448 448 A G S S- 0 0 2 -2,-0.7 -34,-0.2 52,-0.3 -36,-0.1 -0.888 97.0 -43.6 137.7-172.6 13.2 49.3 51.8 449 449 A T E - 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