==== 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 1JF5 . 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) . 44074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 799 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 17.0 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 . 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 . 98 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 19.6 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 1 1 0 2 0 4 4 0 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 4 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 7 5 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 46 0, 0.0 2,-1.1 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 147.2 20.5 34.4 22.1 2 2 A L > - 0 0 59 1,-0.2 3,-1.6 2,-0.1 28,-0.4 -0.704 360.0-171.0 -85.6 98.5 24.0 34.6 23.7 3 3 A L G > S+ 0 0 27 -2,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.742 78.1 68.2 -61.2 -29.8 24.1 31.7 26.2 4 4 A E G 3 S+ 0 0 32 1,-0.3 -1,-0.3 647,-0.1 -2,-0.1 0.590 99.8 53.1 -68.4 -8.8 27.4 32.7 27.7 5 5 A A G < S+ 0 0 2 -3,-1.6 2,-0.3 586,-0.1 -1,-0.3 0.483 87.0 96.5-104.4 -0.6 25.6 35.7 29.1 6 6 A I < - 0 0 11 -3,-1.5 2,-0.3 -4,-0.2 23,-0.3 -0.700 57.3-169.8 -88.3 137.8 22.7 33.7 30.8 7 7 A F B +A 28 0A 19 21,-2.6 21,-1.8 -2,-0.3 2,-0.3 -0.976 19.5 140.3-138.1 147.2 23.2 33.0 34.5 8 8 A H - 0 0 11 -2,-0.3 2,-0.3 19,-0.2 19,-0.1 -0.949 15.5-170.6-170.7 156.0 21.7 31.0 37.4 9 9 A E - 0 0 25 17,-0.3 2,-2.1 -2,-0.3 17,-0.2 -0.976 36.1-116.2-153.1 144.3 22.7 29.0 40.5 10 10 A A S S+ 0 0 27 -2,-0.3 2,-0.3 102,-0.1 5,-0.1 -0.205 95.3 29.0 -77.6 50.7 20.8 26.8 42.9 11 11 A K S >> S+ 0 0 57 -2,-2.1 3,-1.7 5,-0.1 4,-0.6 -0.965 90.2 41.5-177.2-171.0 21.6 29.1 45.7 12 12 A G T 34 S- 0 0 3 -2,-0.3 3,-0.4 1,-0.3 393,-0.1 -0.192 118.5 -19.4 54.7-129.4 22.3 32.6 46.9 13 13 A S T 34 S+ 0 0 8 1,-0.2 -1,-0.3 391,-0.1 3,-0.2 0.463 136.7 58.5 -92.1 -1.4 20.3 35.4 45.3 14 14 A Y T <4 S+ 0 0 25 -3,-1.7 12,-2.5 1,-0.3 2,-0.2 0.473 114.8 24.2-106.6 -4.7 19.2 33.2 42.3 15 15 A A E < S+B 25 0A 1 -4,-0.6 -1,-0.3 -3,-0.4 10,-0.2 -0.745 76.1 132.6-160.1 109.9 17.5 30.4 44.2 16 16 A Y E -B 24 0A 14 8,-1.7 8,-2.9 -2,-0.2 2,-0.1 -0.998 47.8-104.7-158.3 152.0 16.0 30.6 47.7 17 17 A P E -B 23 0A 4 0, 0.0 105,-0.4 0, 0.0 6,-0.2 -0.466 17.7-177.1 -82.2 154.9 12.9 29.7 49.6 18 18 A I S S+ 0 0 45 4,-2.7 2,-0.3 1,-0.2 5,-0.1 0.409 81.2 13.5-117.1 -12.9 10.3 32.2 50.7 19 19 A S S S- 0 0 32 3,-1.3 3,-0.4 1,-0.0 -1,-0.2 -0.882 91.1 -94.5-148.4 177.7 8.3 29.5 52.5 20 20 A E S S+ 0 0 55 -2,-0.3 96,-0.2 1,-0.2 3,-0.0 0.767 128.8 28.3 -70.9 -20.7 8.9 26.0 53.7 21 21 A T S S+ 0 0 53 1,-0.1 54,-2.6 56,-0.1 2,-0.5 0.257 107.6 80.8-122.0 10.1 7.2 24.9 50.4 22 22 A Q E - C 0 74A 51 -3,-0.4 -4,-2.7 52,-0.2 -3,-1.3 -0.951 52.6-168.1-129.3 119.4 8.0 27.7 48.0 23 23 A L E -BC 17 73A 0 50,-2.2 50,-3.0 -2,-0.5 2,-0.3 -0.889 10.7-149.3-109.0 121.5 11.2 28.3 46.1 24 24 A R E -BC 16 72A 39 -8,-2.9 -8,-1.7 -2,-0.5 2,-0.4 -0.617 14.4-164.2 -84.8 142.8 12.0 31.5 44.2 25 25 A V E -BC 15 71A 1 46,-2.4 46,-2.1 -2,-0.3 2,-0.3 -0.998 5.1-169.6-131.6 134.7 14.2 31.2 41.1 26 26 A R E - C 0 70A 4 -12,-2.5 -17,-0.3 -2,-0.4 2,-0.3 -0.919 4.5-179.9-123.5 149.7 16.0 34.0 39.2 27 27 A L E - C 0 69A 0 42,-2.1 42,-2.8 -2,-0.3 2,-0.3 -0.985 8.2-161.0-145.4 138.5 17.8 33.9 35.8 28 28 A R E +AC 7 68A 34 -21,-1.8 -21,-2.6 -2,-0.3 2,-0.3 -0.909 14.0 165.7-124.8 156.1 19.6 36.7 34.0 29 29 A A E - C 0 67A 0 38,-1.1 38,-2.0 -2,-0.3 -23,-0.2 -0.943 49.8 -59.6-157.1 165.2 20.5 37.1 30.4 30 30 A K E > S- C 0 66A 65 -28,-0.4 3,-2.2 -2,-0.3 4,-0.5 -0.182 72.4 -87.8 -51.9 139.8 21.7 39.9 28.0 31 31 A K T 3 S+ 0 0 110 34,-2.3 -1,-0.2 1,-0.3 35,-0.1 -0.299 113.6 4.3 -53.9 123.4 19.2 42.7 27.8 32 32 A G T 3 S+ 0 0 49 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.272 102.1 111.1 86.0 -14.8 16.6 42.0 25.1 33 33 A D S < S+ 0 0 20 -3,-2.2 2,-0.4 55,-0.1 -2,-0.2 0.780 73.1 40.6 -63.7 -34.5 18.2 38.6 24.5 34 34 A V - 0 0 3 -4,-0.5 54,-0.2 54,-0.2 -2,-0.2 -0.959 52.2-177.3-120.7 139.2 15.4 36.4 25.9 35 35 A V S S+ 0 0 92 52,-3.5 2,-0.3 -2,-0.4 53,-0.2 0.693 74.2 22.9-105.2 -25.3 11.6 36.8 25.4 36 36 A R E -E 87 0B 102 51,-1.3 51,-2.8 22,-0.0 2,-0.5 -0.983 56.7-172.0-146.5 132.7 10.1 34.0 27.4 37 37 A C E -E 86 0B 1 20,-0.5 20,-1.8 -2,-0.3 2,-0.4 -0.984 12.2-177.5-125.9 115.4 11.6 32.1 30.4 38 38 A E E -EF 85 56B 30 47,-2.7 47,-2.7 -2,-0.5 2,-0.6 -0.878 17.3-143.8-115.1 147.7 9.6 29.0 31.6 39 39 A V E -EF 84 55B 0 16,-2.5 16,-1.7 -2,-0.4 2,-0.6 -0.954 12.3-170.8-116.0 117.6 10.5 26.8 34.5 40 40 A L E +EF 83 54B 10 43,-2.5 43,-3.3 -2,-0.6 2,-0.3 -0.946 26.0 153.4-104.6 122.8 9.7 23.2 34.1 41 41 A Y E +EF 82 53B 17 12,-2.5 12,-4.0 -2,-0.6 2,-0.3 -0.937 21.1 171.0-147.6 172.1 10.2 21.3 37.4 42 42 A A E -E 81 0B 15 39,-2.3 39,-2.9 -2,-0.3 10,-0.1 -0.946 49.5 -56.9-168.3 172.6 9.3 18.4 39.6 43 43 A D > - 0 0 25 -2,-0.3 3,-2.1 37,-0.2 37,-0.2 -0.389 51.3-116.6 -64.0 145.3 10.2 16.6 42.8 44 44 A R T 3 S+ 0 0 34 1,-0.3 -1,-0.1 69,-0.1 36,-0.1 0.757 115.8 40.1 -55.1 -28.1 13.9 15.4 42.9 45 45 A Y T 3 S+ 0 0 84 34,-0.1 -1,-0.3 828,-0.1 829,-0.1 0.353 85.2 135.2-103.4 5.9 12.8 11.7 43.1 46 46 A A < - 0 0 15 -3,-2.1 -4,-0.0 1,-0.1 6,-0.0 -0.226 65.8 -98.3 -59.0 141.4 9.9 12.0 40.7 47 47 A S > - 0 0 47 1,-0.1 3,-1.6 4,-0.0 -1,-0.1 -0.311 26.3-122.6 -59.8 140.1 9.7 9.2 38.1 48 48 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.740 110.6 56.5 -59.5 -19.0 11.2 10.1 34.7 49 49 A E T 3 S+ 0 0 184 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.659 86.2 99.6 -88.0 -17.8 7.9 9.3 33.1 50 50 A E S < S- 0 0 116 -3,-1.6 2,-0.2 1,-0.1 -4,-0.0 -0.260 82.0-100.5 -69.0 155.6 5.8 11.8 35.1 51 51 A E - 0 0 168 1,-0.1 2,-0.3 -9,-0.0 -1,-0.1 -0.500 34.4-122.2 -77.1 144.8 4.9 15.2 33.8 52 52 A L - 0 0 34 -2,-0.2 -10,-0.2 -10,-0.1 2,-0.2 -0.625 25.0-115.7 -85.6 146.0 6.9 18.2 34.9 53 53 A A E -F 41 0B 41 -12,-4.0 -12,-2.5 -2,-0.3 2,-0.3 -0.567 29.7-134.4 -79.2 147.9 5.1 21.1 36.6 54 54 A H E -F 40 0B 108 -14,-0.2 2,-0.3 -2,-0.2 -14,-0.2 -0.806 22.0-178.5-107.6 148.3 5.2 24.4 34.7 55 55 A A E -F 39 0B 9 -16,-1.7 -16,-2.5 -2,-0.3 2,-0.5 -0.926 21.4-136.5-145.1 118.0 6.0 27.9 36.2 56 56 A L E -F 38 0B 125 -2,-0.3 2,-1.0 -18,-0.2 16,-0.3 -0.603 14.2-148.9 -80.1 122.5 6.0 31.1 34.3 57 57 A A - 0 0 6 -20,-1.8 -20,-0.5 -2,-0.5 14,-0.3 -0.754 13.0-153.9 -94.1 101.0 8.9 33.4 35.0 58 58 A G E -D 70 0A 42 -2,-1.0 12,-3.1 12,-0.9 2,-0.9 -0.322 30.7 -98.6 -68.9 155.4 7.9 37.0 34.7 59 59 A K E -D 69 0A 106 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.676 36.6-169.6 -75.3 108.3 10.6 39.6 33.9 60 60 A A E - 0 0 0 8,-2.1 2,-0.3 -2,-0.9 9,-0.2 0.587 57.4 -60.2 -76.5 -12.7 11.3 41.0 37.4 61 61 A G E -D 68 0A 11 7,-1.3 7,-3.6 445,-0.1 2,-0.3 -0.883 46.1-124.7 154.8 177.7 13.3 43.8 35.9 62 62 A S E -D 67 0A 30 -2,-0.3 5,-0.2 5,-0.3 337,-0.2 -0.984 15.8-163.0-157.4 143.3 16.3 44.8 33.9 63 63 A D - 0 0 4 3,-1.5 333,-0.1 -2,-0.3 334,-0.1 -0.200 52.5 -57.8-112.9-154.6 19.3 46.9 34.3 64 64 A E S S+ 0 0 108 1,-0.2 333,-0.0 329,-0.1 332,-0.0 0.889 132.5 5.5 -55.3 -39.6 22.0 48.6 32.2 65 65 A R S S+ 0 0 70 331,-0.1 -34,-2.3 -35,-0.1 2,-0.2 0.620 120.4 55.9-122.1 -17.0 23.1 45.2 30.7 66 66 A F E -C 30 0A 11 -36,-0.2 -3,-1.5 -35,-0.1 2,-0.4 -0.714 55.3-140.9-123.8 169.6 20.7 42.5 31.9 67 67 A D E -CD 29 62A 3 -38,-2.0 -38,-1.1 -5,-0.2 2,-0.6 -0.958 22.6-147.4-119.9 140.2 17.2 41.2 32.0 68 68 A Y E -CD 28 61A 10 -7,-3.6 -8,-2.1 -2,-0.4 -7,-1.3 -0.939 10.6-169.3-120.8 122.1 16.0 39.5 35.1 69 69 A F E -CD 27 59A 8 -42,-2.8 -42,-2.1 -2,-0.6 2,-0.3 -0.852 8.0-175.1-106.1 140.4 13.4 36.7 35.0 70 70 A E E +CD 26 58A 32 -12,-3.1 -12,-0.9 -2,-0.4 2,-0.3 -0.997 5.3 174.0-137.4 140.8 11.9 35.5 38.3 71 71 A A E -C 25 0A 4 -46,-2.1 -46,-2.4 -2,-0.3 2,-0.5 -0.969 25.6-128.0-142.8 158.6 9.4 32.6 38.9 72 72 A L E -C 24 0A 55 -16,-0.3 2,-0.5 -2,-0.3 -48,-0.2 -0.938 19.7-152.2-115.0 122.8 7.9 30.9 42.0 73 73 A L E -C 23 0A 0 -50,-3.0 -50,-2.2 -2,-0.5 2,-0.9 -0.795 7.2-143.4 -99.2 130.1 8.1 27.1 42.4 74 74 A E E +C 22 0A 112 -2,-0.5 2,-0.7 -52,-0.2 -52,-0.2 -0.763 23.5 176.3 -91.9 104.6 5.6 25.2 44.3 75 75 A C > + 0 0 5 -54,-2.6 3,-1.1 -2,-0.9 5,-0.1 -0.793 14.1 170.9-115.2 90.3 7.4 22.3 46.1 76 76 A S T 3 S+ 0 0 110 -2,-0.7 -1,-0.2 1,-0.3 -54,-0.1 0.754 85.3 52.7 -64.8 -26.0 5.0 20.3 48.4 77 77 A T T 3 S- 0 0 46 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.523 104.3-129.9 -86.9 -8.4 7.8 17.8 48.9 78 78 A K S < S+ 0 0 20 -3,-1.1 38,-1.6 1,-0.2 2,-0.4 0.629 85.0 92.9 67.5 12.7 10.3 20.5 50.0 79 79 A R + 0 0 9 36,-0.2 2,-0.3 -58,-0.1 -2,-0.3 -0.998 55.2 172.4-135.9 130.3 12.6 18.9 47.4 80 80 A V E - G 0 113B 0 33,-1.3 33,-2.6 -2,-0.4 2,-0.4 -0.998 22.3-171.8-150.1 144.6 12.8 20.1 43.8 81 81 A K E +EG 42 112B 51 -39,-2.9 -39,-2.3 -2,-0.3 2,-0.3 -0.968 24.8 172.3-126.0 144.6 14.7 19.7 40.5 82 82 A Y E -EG 41 111B 1 29,-2.7 29,-2.9 -2,-0.4 2,-0.3 -0.993 22.9-154.9-156.4 159.5 14.1 22.0 37.5 83 83 A V E -E 40 0B 8 -43,-3.3 -43,-2.5 -2,-0.3 2,-0.3 -0.968 23.2-121.6-133.7 151.0 15.1 23.1 34.1 84 84 A F E -EH 39 96B 2 12,-3.8 12,-3.0 -2,-0.3 2,-0.5 -0.740 11.3-159.4 -97.1 144.2 14.7 26.3 32.2 85 85 A L E -EH 38 95B 15 -47,-2.7 -47,-2.7 -2,-0.3 2,-0.4 -0.948 20.1-172.9-118.6 105.1 13.0 26.7 28.8 86 86 A L E -EH 37 94B 0 8,-3.1 8,-1.5 -2,-0.5 2,-0.4 -0.862 8.9-162.6-109.3 134.4 14.1 29.9 27.1 87 87 A T E -EH 36 93B 27 -51,-2.8 -52,-3.5 -2,-0.4 -51,-1.3 -0.908 8.8-146.1-119.0 137.3 12.8 31.5 23.9 88 88 A G > - 0 0 3 4,-2.1 3,-2.6 -2,-0.4 -54,-0.2 -0.350 37.3 -92.0 -92.1 173.7 14.5 34.1 21.7 89 89 A P T 3 S+ 0 0 79 0, 0.0 -55,-0.1 0, 0.0 -1,-0.1 0.697 128.2 49.7 -57.6 -18.3 13.1 37.0 19.6 90 90 A Q T 3 S- 0 0 171 2,-0.1 3,-0.1 0, 0.0 -2,-0.0 0.115 120.3-106.0-107.9 20.1 13.0 34.6 16.7 91 91 A G < + 0 0 56 -3,-2.6 2,-0.3 1,-0.2 0, 0.0 0.492 68.3 147.7 74.8 -1.0 11.2 31.8 18.5 92 92 A E - 0 0 75 -5,-0.0 -4,-2.1 1,-0.0 2,-0.3 -0.583 34.1-153.1 -71.4 128.0 14.2 29.5 18.8 93 93 A A E +H 87 0B 53 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.747 18.6 171.9-106.0 152.8 13.8 27.5 22.1 94 94 A V E -H 86 0B 17 -8,-1.5 -8,-3.1 -2,-0.3 2,-0.3 -0.975 26.7-127.2-159.6 141.9 16.4 26.0 24.4 95 95 A Y E -HI 85 102B 54 7,-2.9 7,-1.6 -2,-0.3 2,-0.5 -0.717 18.1-157.0 -94.0 142.1 16.6 24.3 27.7 96 96 A F E +HI 84 101B 18 -12,-3.0 -12,-3.8 -2,-0.3 2,-0.3 -0.981 28.0 145.3-121.2 122.1 19.0 25.5 30.4 97 97 A G - 0 0 1 3,-1.4 3,-0.5 -2,-0.5 13,-0.2 -0.826 64.3 -81.3-142.4-177.6 20.0 23.1 33.1 98 98 A E S S+ 0 0 37 -2,-0.3 11,-0.2 1,-0.2 3,-0.1 0.804 125.4 55.8 -60.2 -30.1 23.0 22.2 35.3 99 99 A T S S- 0 0 73 9,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.836 116.8-106.8 -73.2 -32.9 24.5 20.2 32.5 100 100 A G - 0 0 13 8,-1.5 -3,-1.4 -3,-0.5 2,-0.3 -0.956 53.6 -25.9 139.8-155.2 24.4 23.1 30.1 101 101 A F E +I 96 0B 31 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.721 55.9 149.4-104.9 146.1 22.4 24.1 27.1 102 102 A S E -I 95 0B 21 -7,-1.6 -7,-2.9 -2,-0.3 6,-0.1 -0.981 51.9-127.9-166.1 152.2 20.5 22.1 24.6 103 103 A A S S+ 0 0 83 -2,-0.3 2,-0.4 -9,-0.2 -1,-0.1 0.709 100.0 74.5 -75.2 -18.3 17.6 22.1 22.2 104 104 A E S > S- 0 0 102 1,-0.1 4,-0.7 -9,-0.1 -9,-0.1 -0.829 78.9-143.2 -98.0 130.9 16.7 18.8 24.0 105 105 A R H >> S+ 0 0 118 -2,-0.4 3,-1.5 1,-0.2 4,-0.6 0.951 98.5 50.3 -57.3 -54.4 15.3 18.9 27.6 106 106 A S H >4 S+ 0 0 93 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.900 107.0 53.6 -53.5 -45.4 17.1 15.8 28.8 107 107 A K H 34 S+ 0 0 135 1,-0.3 -1,-0.3 -8,-0.0 -2,-0.2 0.637 97.5 67.4 -68.6 -11.3 20.5 16.9 27.6 108 108 A A H << S- 0 0 0 -3,-1.5 -8,-1.5 -4,-0.7 -9,-1.2 0.730 96.4-147.2 -78.8 -21.0 20.2 20.3 29.4 109 109 A G << - 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0 0 21 -2,-0.5 3,-2.8 1,-0.2 4,-0.9 -0.875 17.9-155.3-104.8 93.9 23.5 61.7 66.7 138 138 A P H >> S+ 0 0 4 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.826 86.3 54.4 -33.9 -58.5 23.4 61.7 70.6 139 139 A E H 34 S+ 0 0 9 1,-0.2 31,-1.6 2,-0.1 29,-0.2 0.632 119.6 32.5 -59.8 -16.7 25.8 64.6 71.0 140 140 A R H <4 S+ 0 0 16 -3,-2.8 332,-2.5 29,-0.1 -1,-0.2 0.458 99.4 75.4-125.3 8.5 23.8 66.8 68.8 141 141 A F H << S- 0 0 0 -3,-0.9 2,-0.3 -4,-0.9 -2,-0.1 0.947 106.1 -22.4 -83.5 -56.0 20.1 66.0 69.1 142 142 A A < - 0 0 4 -4,-0.6 29,-2.5 29,-0.2 2,-0.9 -0.914 47.6-144.2-160.2 133.7 18.8 67.4 72.4 143 143 A N + 0 0 49 27,-0.3 27,-0.2 -2,-0.3 29,-0.1 -0.835 30.0 159.7-103.9 95.0 20.5 68.4 75.6 144 144 A G + 0 0 17 -2,-0.9 -1,-0.2 27,-0.2 26,-0.1 0.635 68.5 49.4 -87.5 -16.5 18.1 67.6 78.4 145 145 A D > + 0 0 51 24,-0.4 3,-1.1 -3,-0.1 -1,-0.2 -0.844 55.5 179.4-131.7 97.7 20.8 67.5 81.1 146 146 A P G > S+ 0 0 94 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.686 78.6 69.5 -64.6 -24.9 23.2 70.5 81.3 147 147 A S G 3 S+ 0 0 104 1,-0.2 -2,-0.0 0, 0.0 68,-0.0 0.749 98.7 47.4 -72.8 -19.3 25.0 69.0 84.3 148 148 A N G < S+ 0 0 26 -3,-1.1 -1,-0.2 67,-0.1 69,-0.1 0.394 81.3 126.6-102.2 6.7 26.6 66.2 82.3 149 149 A D < - 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0 0 5 -5,-1.6 2,-0.3 20,-0.1 -34,-0.3 -0.369 12.8-165.1 -73.3 156.1 18.5 71.4 58.4 461 461 A A + 0 0 29 -35,-0.1 2,-0.2 6,-0.1 9,-0.2 -0.892 18.5 137.3-137.2 171.5 21.5 71.9 56.1 462 462 A G - 0 0 2 -2,-0.3 -38,-2.6 -38,-0.2 -35,-0.3 -0.692 43.4-104.4 157.9 149.1 25.3 71.4 56.2 463 463 A A - 0 0 42 -40,-0.2 -39,-0.2 1,-0.2 -41,-0.1 -0.188 65.4 -62.1 -78.7-177.7 28.4 70.3 54.5 464 464 A T S > S- 0 0 72 3,-0.2 3,-1.8 -41,-0.2 -1,-0.2 0.009 95.6 -3.0 -60.1 172.8 30.1 67.0 55.5 465 465 A D T 3 S+ 0 0 47 1,-0.4 -1,-0.2 2,-0.2 -301,-0.1 -0.054 131.9 14.5 -41.4 129.4 31.4 66.3 58.9 466 466 A P T > S+ 0 0 21 0, 0.0 3,-1.8 0, 0.0 -1,-0.4 -0.996 124.2 55.8 -99.0 3.1 31.4 68.3 61.0 467 467 A D G X S+ 0 0 39 -3,-1.8 3,-0.5 1,-0.3 -2,-0.2 0.706 103.5 59.1 -65.7 -16.2 29.0 70.8 59.4 468 468 A C G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -6,-0.2 -3,-0.1 0.611 95.9 67.7 -85.6 -7.4 26.3 68.0 59.1 469 469 A R G < + 0 0 39 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.287 69.6 144.0-104.1 39.8 26.5 67.6 62.9 470 470 A R < - 0 0 39 -3,-0.5 2,-0.2 -9,-0.2 3,-0.1 -0.452 63.7 -84.0 -74.1 157.0 25.0 71.0 63.8 471 471 A P - 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0 0 0 -29,-2.7 4,-1.2 1,-0.1 -29,-0.2 -0.907 50.5 -94.6-148.4 177.1 32.6 -9.8 57.5 758 172 B L H > S+ 0 0 0 44,-2.5 4,-2.5 -2,-0.3 3,-0.4 0.889 118.6 60.4 -65.0 -39.9 35.1 -7.6 59.3 759 173 B K H > S+ 0 0 85 43,-0.4 4,-2.9 1,-0.3 5,-0.3 0.944 100.8 58.6 -52.0 -43.5 37.3 -10.5 60.3 760 174 B G H > S+ 0 0 2 -32,-0.5 4,-0.8 1,-0.2 -1,-0.3 0.890 105.9 47.0 -51.4 -46.6 37.6 -11.0 56.6 761 175 B V H >X S+ 0 0 0 -4,-1.2 3,-1.4 -3,-0.4 4,-0.9 0.945 110.0 51.8 -62.4 -49.2 39.0 -7.6 56.2 762 176 B I H >< S+ 0 0 20 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.916 108.6 52.2 -55.0 -44.6 41.5 -8.0 59.1 763 177 B D H 3< S+ 0 0 74 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.689 113.5 45.0 -64.2 -20.8 42.7 -11.2 57.5 764 178 B R H XX S+ 0 0 83 -3,-1.4 4,-2.3 -4,-0.8 3,-0.9 0.411 76.6 102.1-107.2 4.1 43.3 -9.4 54.2 765 179 B L H S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.886 106.9 45.4 -54.1 -40.1 48.3 -7.7 54.2 767 181 B Y H <> S+ 0 0 18 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.952 113.0 48.2 -66.4 -52.0 47.0 -7.8 50.7 768 182 B L H X>S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 5,-1.1 0.905 109.8 54.6 -59.5 -35.6 45.5 -4.3 50.9 769 183 B E H <5S+ 0 0 88 -4,-3.8 3,-0.3 -5,-0.3 -1,-0.2 0.948 103.0 55.8 -64.6 -41.4 48.8 -3.2 52.2 770 184 B E H <5S+ 0 0 82 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.861 104.5 53.0 -55.8 -40.2 50.7 -4.6 49.3 771 185 B L H <5S- 0 0 3 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.889 112.3-120.3 -62.3 -40.6 48.6 -2.6 46.8 772 186 B G T <5 + 0 0 24 -4,-1.6 -3,-0.2 -3,-0.3 -2,-0.1 0.605 50.0 162.5 107.6 16.8 49.3 0.7 48.7 773 187 B V < - 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