==== 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 13-AUG-03 1Q6G . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR A.HIRATA,M.ADACHI,A.SEKINE,Y.N.KANG,S.UTSUMI,B.MIKAMI . 490 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.7 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 2 1 1 0 0 2 0 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 0 4 2 1 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 6 A N > 0 0 131 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 134.2 -7.2 63.8 14.3 2 7 A M G > + 0 0 44 1,-0.3 3,-3.2 2,-0.2 4,-0.3 0.773 360.0 78.5 -53.1 -33.8 -8.6 60.6 15.8 3 8 A L G > S+ 0 0 27 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.718 81.1 69.8 -52.8 -20.9 -6.5 58.4 13.5 4 9 A L G < S+ 0 0 62 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.594 93.8 56.5 -73.3 -10.1 -3.6 59.1 15.8 5 10 A N G < S+ 0 0 2 -3,-3.2 -1,-0.3 398,-0.2 -2,-0.2 0.449 80.8 124.6 -97.2 -4.6 -5.4 57.0 18.5 6 11 A Y < - 0 0 6 -3,-1.2 431,-0.2 -4,-0.3 430,-0.1 -0.380 41.2-169.3 -62.5 122.8 -5.5 54.0 16.2 7 12 A V - 0 0 2 429,-1.9 403,-0.1 -2,-0.2 431,-0.1 -0.972 24.0-123.3-116.1 118.7 -4.0 50.8 17.6 8 13 A P - 0 0 0 0, 0.0 403,-2.0 0, 0.0 2,-0.4 -0.269 18.6-146.7 -64.7 147.0 -3.5 48.0 15.1 9 14 A V E -a 411 0A 0 32,-0.2 34,-1.7 401,-0.2 35,-1.2 -0.951 14.9-175.5-117.3 131.4 -5.1 44.6 15.7 10 15 A Y E -ab 412 44A 10 401,-2.6 403,-3.6 -2,-0.4 2,-0.4 -0.882 13.1-144.7-122.9 155.4 -3.5 41.3 14.5 11 16 A V E -ab 413 45A 0 33,-1.7 35,-1.9 -2,-0.3 2,-0.2 -0.983 17.4-124.5-126.0 130.7 -4.9 37.8 14.7 12 17 A M E - b 0 46A 8 401,-2.8 404,-2.7 -2,-0.4 403,-0.3 -0.502 27.1-128.3 -70.6 137.4 -2.8 34.6 15.3 13 18 A L - 0 0 3 33,-3.0 35,-0.1 -2,-0.2 3,-0.1 -0.398 40.7 -78.3 -79.7 162.7 -3.2 32.0 12.7 14 19 A P > - 0 0 40 0, 0.0 3,-1.2 0, 0.0 2,-0.3 -0.230 49.7-104.6 -60.2 150.8 -4.0 28.4 13.7 15 20 A L T 3 S+ 0 0 21 1,-0.2 4,-0.1 2,-0.1 32,-0.0 -0.616 108.4 26.7 -73.4 135.2 -1.2 26.3 15.1 16 21 A G T 3 + 0 0 13 -2,-0.3 9,-0.2 2,-0.2 -1,-0.2 0.631 67.1 146.0 88.5 13.7 -0.2 23.9 12.4 17 22 A V S < S+ 0 0 19 -3,-1.2 8,-0.6 1,-0.2 2,-0.5 0.838 85.2 34.2 -52.8 -32.5 -1.3 25.9 9.3 18 23 A V B S-J 24 0B 0 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.997 104.9-131.3-119.8 120.6 1.7 24.2 7.7 19 24 A N > - 0 0 26 4,-2.3 3,-2.3 -2,-0.5 4,-0.3 -0.053 25.5 -92.0 -72.8 176.0 2.0 20.7 9.1 20 25 A V T 3 S+ 0 0 60 1,-0.3 -1,-0.1 2,-0.2 80,-0.0 0.592 125.1 60.9 -61.2 -12.6 5.0 18.9 10.5 21 26 A D T 3 S- 0 0 125 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.271 120.3-108.8 -97.7 10.4 5.7 17.5 7.0 22 27 A N S < S+ 0 0 20 -3,-2.3 2,-0.4 1,-0.2 44,-0.2 0.939 73.6 137.8 61.6 51.7 6.1 21.0 5.7 23 28 A V - 0 0 74 -4,-0.3 -4,-2.3 43,-0.1 2,-1.6 -0.994 57.5-135.1-130.6 127.5 2.9 21.1 3.7 24 29 A F B -J 18 0B 26 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.670 33.4-170.4 -80.8 90.5 0.5 24.0 3.6 25 30 A E + 0 0 124 -2,-1.6 -1,-0.2 -8,-0.6 -7,-0.1 0.892 62.4 21.1 -51.2 -62.9 -2.6 21.8 4.1 26 31 A D > + 0 0 92 -9,-0.4 4,-2.3 1,-0.2 -1,-0.2 -0.696 57.6 157.7-121.3 82.3 -5.7 23.9 3.5 27 32 A P H > S+ 0 0 46 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.910 82.2 49.1 -65.7 -43.3 -5.1 27.0 1.4 28 33 A D H > S+ 0 0 124 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.898 112.2 48.3 -64.4 -41.5 -8.7 27.2 0.3 29 34 A G H > S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.939 114.2 45.3 -64.8 -46.9 -9.9 26.9 3.9 30 35 A L H X S+ 0 0 8 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.925 106.9 60.6 -61.7 -46.2 -7.5 29.5 5.2 31 36 A K H X S+ 0 0 84 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.890 103.4 49.0 -49.3 -48.4 -8.3 31.9 2.3 32 37 A E H X S+ 0 0 128 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.907 114.0 46.6 -61.3 -41.6 -12.0 32.1 3.3 33 38 A Q H X S+ 0 0 26 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.912 111.4 50.9 -66.0 -44.0 -11.1 32.8 6.9 34 39 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.909 107.8 52.6 -60.6 -42.3 -8.5 35.4 6.0 35 40 A L H X S+ 0 0 80 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.849 105.8 55.7 -62.4 -32.9 -11.0 37.2 3.7 36 41 A Q H X S+ 0 0 86 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.915 108.6 47.1 -63.2 -44.9 -13.4 37.2 6.7 37 42 A L H X>S+ 0 0 0 -4,-1.9 5,-2.0 2,-0.2 4,-0.5 0.889 109.3 53.8 -63.6 -42.1 -10.7 39.0 8.8 38 43 A R H ><5S+ 0 0 48 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.910 108.7 48.9 -60.2 -44.1 -10.0 41.5 5.9 39 44 A A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.806 106.6 58.2 -67.0 -27.8 -13.7 42.4 5.8 40 45 A A H 3<5S- 0 0 17 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.555 118.6-109.2 -79.2 -9.4 -13.7 42.9 9.6 41 46 A G T <<5 + 0 0 9 -3,-1.2 -32,-0.2 -4,-0.5 402,-0.2 0.551 59.2 161.0 93.7 8.5 -10.9 45.5 9.4 42 47 A V < - 0 0 0 -5,-2.0 -1,-0.3 1,-0.1 -32,-0.1 -0.395 33.1-148.1 -64.2 136.8 -8.1 43.4 10.9 43 48 A D - 0 0 6 -34,-1.7 37,-1.8 1,-0.2 2,-0.3 0.848 62.0 -37.2 -77.5 -34.9 -4.7 44.8 10.1 44 49 A G E -bc 10 80A 0 -35,-1.2 -33,-1.7 35,-0.2 2,-0.3 -0.949 52.8-108.4-169.1-172.2 -2.7 41.6 10.0 45 50 A V E -bc 11 81A 0 35,-2.1 37,-2.4 -35,-0.3 2,-0.4 -0.891 18.2-134.6-134.3 163.1 -2.0 38.1 11.3 46 51 A M E -bc 12 82A 2 -35,-1.9 -33,-3.0 -2,-0.3 2,-0.3 -0.953 22.8-178.1-121.7 140.4 0.7 36.4 13.2 47 52 A V E - c 0 83A 4 35,-2.2 37,-2.7 -2,-0.4 2,-0.4 -0.993 27.1-123.1-142.6 146.9 2.3 33.0 12.4 48 53 A D E - c 0 84A 21 -2,-0.3 2,-0.9 35,-0.2 37,-0.1 -0.723 14.2-157.2 -84.4 132.0 4.9 30.6 13.9 49 54 A V E - c 0 85A 1 35,-2.5 37,-1.1 -2,-0.4 2,-0.2 -0.837 27.7-143.1-109.2 86.5 7.7 29.8 11.5 50 55 A W E >> - c 0 86A 7 -2,-0.9 4,-2.0 1,-0.1 3,-1.1 -0.348 17.1-157.6 -61.3 120.3 8.6 26.5 13.1 51 56 A W H 3> S+ 0 0 0 35,-2.7 4,-2.3 1,-0.3 -1,-0.1 0.887 93.7 60.0 -61.2 -40.6 12.3 25.7 13.3 52 57 A G H 34 S+ 0 0 3 34,-0.4 52,-0.3 36,-0.3 -1,-0.3 0.641 109.9 42.1 -65.2 -16.4 11.5 22.0 13.7 53 58 A I H X4 S+ 0 0 4 -3,-1.1 3,-0.8 47,-0.1 4,-0.2 0.861 117.2 43.1 -94.5 -46.9 9.6 22.0 10.4 54 59 A I H 3< S+ 0 0 2 -4,-2.0 9,-1.1 1,-0.2 3,-0.2 0.844 122.3 32.8 -71.6 -39.2 12.0 24.0 8.2 55 60 A E T 3< S+ 0 0 0 -4,-2.3 -1,-0.2 7,-0.2 7,-0.1 -0.182 84.3 120.9-112.5 41.1 15.4 22.6 9.2 56 61 A L < + 0 0 72 -3,-0.8 49,-0.6 1,-0.2 -1,-0.2 0.923 63.2 57.0 -67.6 -50.7 14.2 19.1 9.8 57 62 A K S S- 0 0 178 4,-0.5 -1,-0.2 -4,-0.2 5,-0.1 0.826 120.0 -61.1 -54.7 -40.6 16.3 17.1 7.3 58 63 A G S > S- 0 0 7 3,-0.4 3,-2.4 46,-0.0 -1,-0.2 -0.961 81.0 -25.2 170.3 176.4 19.7 18.3 8.7 59 64 A P T 3 S- 0 0 52 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.218 128.6 -8.1 -49.8 121.5 22.0 21.3 9.4 60 65 A K T 3 S+ 0 0 126 1,-0.2 2,-1.1 -5,-0.1 -5,-0.1 0.713 92.9 135.5 59.3 25.7 21.2 24.1 7.0 61 66 A Q < + 0 0 109 -3,-2.4 -4,-0.5 -6,-0.1 -3,-0.4 -0.690 35.3 175.3 -99.8 73.8 18.8 21.8 5.1 62 67 A Y - 0 0 52 -2,-1.1 2,-0.4 -7,-0.1 -7,-0.2 -0.632 23.2-171.9 -89.0 142.8 16.1 24.5 4.8 63 68 A D + 0 0 44 -9,-1.1 4,-0.2 -2,-0.3 3,-0.2 -0.925 13.2 165.6-132.5 104.3 12.8 24.1 2.9 64 69 A W > + 0 0 12 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 0.373 45.4 104.7 -99.8 2.7 10.9 27.4 2.7 65 70 A R H > S+ 0 0 184 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.899 79.2 46.4 -52.8 -52.9 8.5 26.3 -0.0 66 71 A A H > S+ 0 0 10 1,-0.2 4,-1.8 -44,-0.2 -1,-0.2 0.914 114.3 49.0 -59.1 -43.4 5.3 25.8 2.1 67 72 A Y H > S+ 0 0 1 1,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.817 105.7 57.5 -68.1 -27.7 5.8 29.0 4.0 68 73 A R H X S+ 0 0 80 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.900 107.1 49.2 -67.9 -36.3 6.4 30.9 0.7 69 74 A S H X S+ 0 0 68 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.885 111.4 49.3 -67.3 -39.0 2.9 29.7 -0.4 70 75 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.942 111.5 47.4 -65.5 -49.0 1.4 30.8 2.9 71 76 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.888 109.4 55.2 -60.1 -39.1 2.9 34.3 2.8 72 77 A Q H X S+ 0 0 71 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.912 109.4 46.5 -59.7 -45.0 1.8 34.6 -0.8 73 78 A L H X S+ 0 0 13 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.917 110.0 53.0 -64.6 -43.7 -1.8 33.9 0.2 74 79 A V H <>S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.2 3,-0.3 0.933 110.3 49.0 -57.9 -43.8 -1.7 36.3 3.1 75 80 A Q H ><5S+ 0 0 71 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.913 107.2 53.8 -61.9 -43.9 -0.5 39.0 0.7 76 81 A E H 3<5S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 104.7 56.8 -62.1 -28.1 -3.2 38.3 -1.8 77 82 A C T 3<5S- 0 0 5 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.342 116.1-114.7 -86.3 7.9 -5.8 38.8 1.0 78 83 A G T < 5S+ 0 0 39 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.865 71.1 129.7 64.0 39.8 -4.5 42.3 1.8 79 84 A L < - 0 0 6 -5,-1.5 -35,-0.2 -35,-0.0 -1,-0.2 -0.920 51.6-131.0-124.7 150.1 -3.1 41.5 5.3 80 85 A T E -c 44 0A 32 -37,-1.8 -35,-2.1 -2,-0.3 2,-0.4 -0.475 25.9-128.8 -91.3 170.3 0.3 42.3 6.9 81 86 A L E -cd 45 169A 1 87,-2.5 89,-3.0 -37,-0.2 90,-0.9 -0.969 16.0-161.3-132.3 139.7 2.3 39.6 8.8 82 87 A Q E -cd 46 171A 4 -37,-2.4 -35,-2.2 -2,-0.4 2,-0.5 -0.966 26.6-156.7-109.9 113.4 4.0 39.3 12.1 83 88 A A E -cd 47 172A 0 88,-2.1 90,-2.5 -2,-0.6 2,-0.5 -0.844 3.8-152.6-102.3 126.9 6.5 36.4 11.8 84 89 A I E -cd 48 173A 6 -37,-2.7 -35,-2.5 -2,-0.5 2,-1.7 -0.835 12.0-143.7 -98.1 125.1 7.7 34.4 14.8 85 90 A M E -cd 49 174A 0 88,-2.9 90,-1.7 -2,-0.5 2,-1.1 -0.720 29.0-163.1 -83.4 90.6 11.1 32.7 14.6 86 91 A S E +c 50 0A 0 -2,-1.7 -35,-2.7 -37,-1.1 -34,-0.4 -0.677 26.3 165.4 -86.8 94.9 9.8 29.8 16.6 87 92 A F + 0 0 0 -2,-1.1 43,-0.3 -37,-0.2 2,-0.2 0.072 55.5 82.7 -93.9 23.3 12.9 27.9 17.9 88 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 2,-0.2 -0.745 82.1 -98.8-123.7 171.0 10.7 26.0 20.4 89 94 A Q - 0 0 47 39,-1.8 2,-0.5 -2,-0.2 90,-0.4 -0.605 24.9-142.2 -89.4 148.1 8.4 22.9 20.4 90 95 A C B S+K 100 0C 2 10,-2.3 10,-2.6 -2,-0.2 -40,-0.0 -0.930 72.8 59.0-107.9 134.1 4.7 23.1 20.1 91 96 A G S S+ 0 0 23 -2,-0.5 -1,-0.1 8,-0.2 4,-0.1 -0.039 81.6 67.5 146.3 -43.3 2.8 20.6 22.2 92 97 A G S S+ 0 0 15 -3,-0.1 97,-0.6 2,-0.1 98,-0.6 0.449 85.6 76.1 -92.5 1.9 3.4 20.8 26.0 93 98 A N S > S- 0 0 20 96,-0.1 3,-2.3 1,-0.1 -2,-0.1 -0.689 95.5 -69.2-111.3 165.7 1.8 24.2 26.8 94 99 A V T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.219 119.2 12.0 -53.1 128.6 -1.8 25.4 27.2 95 100 A G T 3 S+ 0 0 53 1,-0.2 2,-1.5 -4,-0.1 -1,-0.3 0.311 83.6 138.5 87.5 -9.7 -3.7 25.4 23.9 96 101 A D < + 0 0 35 -3,-2.3 -1,-0.2 1,-0.2 -6,-0.0 -0.549 18.1 166.6 -72.7 93.8 -1.0 23.4 22.0 97 102 A I + 0 0 147 -2,-1.5 2,-0.3 -3,-0.1 -1,-0.2 0.416 58.9 53.8 -89.8 1.1 -3.3 21.1 20.0 98 103 A V S S- 0 0 46 -3,-0.1 2,-0.7 2,-0.0 -82,-0.1 -0.971 78.9-125.9-134.9 150.1 -0.6 19.9 17.6 99 104 A N + 0 0 120 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.854 32.9 163.6-102.0 112.8 2.9 18.4 18.2 100 105 A I B -K 90 0C 1 -10,-2.6 -10,-2.3 -2,-0.7 -48,-0.2 -0.853 17.3-165.8-129.9 96.5 5.8 20.1 16.6 101 106 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.228 29.9 -97.6 -74.9 167.4 9.2 19.1 18.0 102 107 A I S S- 0 0 3 25,-0.4 5,-0.1 1,-0.2 -15,-0.1 -0.343 75.5 -46.9 -75.1 168.9 12.5 21.0 17.4 103 108 A P >> - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.027 49.7-133.3 -41.6 130.8 14.7 19.5 14.6 104 109 A Q H 3> S+ 0 0 97 -52,-0.3 4,-2.3 1,-0.3 5,-0.1 0.872 105.4 58.4 -55.0 -40.2 15.1 15.7 14.8 105 110 A W H 3> S+ 0 0 18 -49,-0.6 4,-1.0 1,-0.2 -1,-0.3 0.781 105.9 48.7 -64.0 -26.4 18.8 16.0 14.2 106 111 A V H <> S+ 0 0 0 -3,-1.1 4,-1.7 2,-0.2 3,-0.3 0.890 109.1 52.7 -77.5 -40.1 19.1 18.2 17.3 107 112 A L H X S+ 0 0 30 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.873 104.0 58.7 -60.5 -36.3 17.1 15.7 19.3 108 113 A D H >X S+ 0 0 93 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.887 104.7 48.5 -60.7 -40.1 19.6 13.1 18.1 109 114 A I H >X S+ 0 0 22 -4,-1.0 4,-2.1 -3,-0.3 3,-1.0 0.857 105.0 60.3 -68.4 -33.0 22.4 15.0 19.7 110 115 A G H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.702 92.2 67.4 -67.1 -19.7 20.3 15.2 22.9 111 116 A E H << S+ 0 0 124 -4,-0.8 -1,-0.2 -3,-0.7 3,-0.2 0.826 112.2 31.3 -69.9 -30.6 20.3 11.5 23.1 112 117 A S H << S+ 0 0 106 -3,-1.0 2,-0.5 -4,-0.6 -2,-0.2 0.740 129.8 37.8 -96.7 -28.0 24.0 11.4 23.8 113 118 A N >< + 0 0 29 -4,-2.1 3,-1.1 1,-0.1 -1,-0.3 -0.833 62.9 176.5-126.6 90.6 24.2 14.8 25.6 114 119 A H G > + 0 0 85 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.639 69.2 79.4 -67.6 -15.6 21.1 15.1 27.8 115 120 A D G 3 + 0 0 34 1,-0.3 92,-0.4 -3,-0.1 -1,-0.3 0.355 67.7 82.3 -79.3 8.6 22.4 18.4 29.2 116 121 A I G < S+ 0 0 0 -3,-1.1 15,-2.0 -6,-0.1 2,-0.3 0.514 86.7 73.2 -86.0 -3.4 21.4 20.4 26.2 117 122 A F E < S-L 130 0D 0 -3,-1.2 13,-0.2 13,-0.2 10,-0.2 -0.813 97.9 -94.2-111.9 150.5 17.9 20.6 27.7 118 123 A Y E -L 126 0D 0 11,-0.8 8,-2.8 8,-0.7 2,-0.4 -0.358 48.2-162.0 -58.5 137.8 16.5 22.5 30.7 119 124 A T E -L 125 0D 3 83,-0.3 85,-2.1 6,-0.2 86,-0.3 -0.986 9.9-147.6-132.7 135.3 16.7 20.3 33.8 120 125 A N > - 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0 0 0 -15,-2.0 3,-2.1 -2,-0.4 -1,-0.1 -0.183 18.5-122.1 -55.8 144.8 19.1 25.5 27.6 132 137 A V G > S+ 0 0 9 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.727 106.3 81.0 -59.0 -19.2 20.7 28.9 27.6 133 138 A G G 3 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.743 94.1 42.5 -60.7 -24.1 23.7 26.9 28.9 134 139 A V G X S+ 0 0 0 -3,-2.1 3,-1.5 -18,-0.2 11,-1.4 0.210 76.4 114.9-108.6 16.3 24.6 25.8 25.4 135 140 A D T < S+ 0 0 3 -3,-1.8 11,-2.2 1,-0.3 12,-0.4 0.877 94.2 23.1 -50.6 -42.7 24.1 29.2 23.7 136 141 A N T 3 S+ 0 0 96 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 -0.033 93.2 115.2-118.5 31.8 27.8 29.4 22.9 137 142 A E < - 0 0 77 -3,-1.5 2,-2.2 1,-0.0 3,-0.3 -0.906 59.9-143.2-102.7 118.3 28.8 25.7 23.0 138 143 A P + 0 0 82 0, 0.0 4,-0.4 0, 0.0 6,-0.2 -0.281 64.7 117.7 -77.6 56.1 30.0 24.5 19.6 139 144 A I + 0 0 53 -2,-2.2 2,-0.9 -5,-0.2 5,-0.2 0.325 42.9 88.1-106.5 6.4 28.4 21.0 20.0 140 145 A F B > S-M 143 0E 0 3,-2.4 3,-2.1 -3,-0.3 -1,-0.1 -0.685 124.7 -58.5-107.2 78.5 25.9 20.9 17.2 141 146 A H T 3 S- 0 0 131 -2,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.895 115.3 -39.0 50.9 44.1 27.9 19.6 14.3 142 147 A G T 3 S+ 0 0 57 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.110 122.5 99.0 97.7 -23.1 30.3 22.5 14.7 143 148 A R B < -M 140 0E 21 -3,-2.1 -3,-2.4 -5,-0.0 -1,-0.3 -0.655 64.0-133.1-101.5 156.7 27.7 25.2 15.5 144 149 A T > - 0 0 13 -6,-0.2 4,-1.8 -2,-0.2 -8,-0.2 -0.540 35.8-102.9 -94.1 168.1 26.6 26.8 18.8 145 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.1 -8,-0.3 -10,-0.2 0.896 122.7 50.7 -60.9 -40.0 22.9 27.2 19.5 146 151 A I H > S+ 0 0 10 -11,-2.2 4,-2.7 -12,-0.2 -1,-0.2 0.900 107.0 53.1 -67.2 -38.3 23.1 30.9 18.8 147 152 A E H > S+ 0 0 90 -12,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.872 107.9 52.5 -63.6 -35.1 24.8 30.3 15.4 148 153 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.957 111.4 45.0 -63.4 -49.8 22.0 27.9 14.5 149 154 A Y H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.891 114.6 50.8 -59.6 -40.5 19.4 30.6 15.4 150 155 A S H X S+ 0 0 4 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.924 109.4 47.8 -64.7 -47.9 21.4 33.1 13.4 151 156 A D H X S+ 0 0 46 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.871 110.1 55.5 -61.5 -36.7 21.8 31.0 10.3 152 157 A Y H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.920 109.1 44.8 -62.7 -45.9 18.0 30.3 10.4 153 158 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.860 112.1 51.9 -69.4 -34.9 17.1 34.0 10.4 154 159 A K H X S+ 0 0 83 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.888 110.0 48.7 -67.7 -39.5 19.6 34.9 7.7 155 160 A S H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.893 110.6 52.0 -66.1 -39.9 18.2 32.2 5.4 156 161 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.945 109.2 50.3 -60.1 -48.6 14.7 33.4 6.1 157 162 A R H < S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.904 115.5 41.4 -57.4 -45.9 15.7 37.0 5.2 158 163 A E H >< S+ 0 0 129 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.894 116.9 46.0 -72.9 -40.4 17.2 35.9 1.9 159 164 A N H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.686 120.0 40.1 -77.7 -16.7 14.6 33.4 0.8 160 165 A M T >X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 3,-0.6 0.106 78.7 122.4-114.3 17.9 11.7 35.7 1.7 161 166 A S H <> S+ 0 0 50 -3,-0.8 4,-2.6 1,-0.2 5,-0.2 0.822 70.7 54.1 -50.1 -40.0 13.4 38.9 0.3 162 167 A D H 3> S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 110.2 45.9 -66.4 -39.2 10.6 39.6 -2.1 163 168 A F H <4>S+ 0 0 2 -3,-0.6 5,-2.3 2,-0.2 6,-0.5 0.901 113.5 50.1 -69.5 -39.2 8.0 39.6 0.6 164 169 A L H ><5S+ 0 0 6 -4,-2.4 3,-1.2 1,-0.2 120,-0.3 0.925 111.9 47.4 -63.6 -44.2 10.2 41.7 2.9 165 170 A E H 3<5S+ 0 0 158 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.0 55.0 -66.4 -34.4 10.7 44.3 0.1 166 171 A S T 3<5S- 0 0 70 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.454 116.2-116.5 -78.6 -0.3 7.0 44.4 -0.8 167 172 A G T < 5S+ 0 0 31 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.719 73.3 133.3 74.8 22.8 6.3 45.3 2.9 168 173 A L < + 0 0 8 -5,-2.3 -87,-2.5 -6,-0.2 2,-0.5 0.947 58.7 66.8 -69.0 -47.4 4.3 42.2 3.7 169 174 A I E +d 81 0A 1 -6,-0.5 -87,-0.2 -89,-0.2 3,-0.1 -0.650 56.5 179.4 -83.7 123.9 6.1 41.5 7.0 170 175 A I E - 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