==== 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 1Q6D . 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) . 18883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.2 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 . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 26.9 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 3 1 1 0 0 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 1 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 1 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 6 A N > 0 0 132 0, 0.0 3,-2.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 135.4 -6.9 63.8 14.2 2 7 A M G > + 0 0 48 1,-0.3 3,-2.6 2,-0.2 4,-0.2 0.719 360.0 77.0 -47.8 -30.2 -8.5 60.7 15.8 3 8 A L G > S+ 0 0 28 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.720 80.7 71.1 -58.0 -20.3 -6.5 58.4 13.5 4 9 A L G < S+ 0 0 58 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.576 92.2 57.2 -72.9 -9.2 -3.5 59.1 15.8 5 10 A N G < S+ 0 0 2 -3,-2.6 -1,-0.3 398,-0.2 2,-0.2 0.363 80.4 125.5 -99.5 1.1 -5.2 57.0 18.5 6 11 A Y < - 0 0 6 -3,-1.4 431,-0.2 -4,-0.2 430,-0.1 -0.446 40.1-170.4 -68.1 125.2 -5.4 54.0 16.2 7 12 A V - 0 0 2 429,-1.9 403,-0.1 -2,-0.2 402,-0.1 -0.983 23.7-124.6-118.0 120.2 -3.9 50.8 17.6 8 13 A P - 0 0 0 0, 0.0 403,-1.9 0, 0.0 2,-0.4 -0.296 17.5-146.0 -67.4 149.2 -3.5 48.0 15.0 9 14 A V E -a 411 0A 0 32,-0.2 35,-1.3 401,-0.2 34,-1.2 -0.955 14.0-173.8-118.6 132.9 -5.0 44.5 15.6 10 15 A Y E -ab 412 44A 6 401,-2.4 403,-3.5 -2,-0.4 2,-0.5 -0.905 13.1-143.8-122.7 152.1 -3.4 41.2 14.5 11 16 A V E -ab 413 45A 0 33,-1.7 35,-2.4 -2,-0.3 2,-0.2 -0.970 16.6-126.9-121.9 129.6 -4.8 37.7 14.6 12 17 A M E - b 0 46A 8 401,-2.6 404,-2.7 -2,-0.5 403,-0.3 -0.501 28.0-125.7 -71.4 137.9 -2.8 34.6 15.3 13 18 A L - 0 0 4 33,-3.0 35,-0.1 -2,-0.2 3,-0.1 -0.372 39.7 -78.4 -79.4 161.9 -3.2 31.9 12.7 14 19 A P > - 0 0 37 0, 0.0 3,-1.0 0, 0.0 2,-0.3 -0.231 55.5 -97.9 -58.3 150.5 -4.2 28.3 13.7 15 20 A L T 3 S+ 0 0 23 1,-0.2 4,-0.0 2,-0.1 32,-0.0 -0.549 108.4 19.9 -70.7 133.1 -1.4 26.2 15.1 16 21 A G T 3 + 0 0 12 -2,-0.3 -1,-0.2 2,-0.1 9,-0.2 0.755 65.2 153.4 82.2 24.8 -0.0 24.0 12.3 17 22 A V S < S+ 0 0 21 -3,-1.0 8,-0.6 1,-0.2 2,-0.5 0.845 86.1 37.1 -53.7 -34.5 -1.3 25.9 9.2 18 23 A V B S-I 24 0B 0 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.993 105.2-133.5-114.2 123.3 1.7 24.2 7.6 19 24 A N > - 0 0 27 4,-2.3 3,-2.4 -2,-0.5 4,-0.3 -0.106 26.4 -90.1 -76.0 176.7 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 -4,-0.0 0.642 126.1 60.6 -59.0 -16.3 5.0 18.8 10.5 21 26 A D T 3 S- 0 0 125 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.239 119.8-109.8 -95.7 13.0 5.6 17.5 7.0 22 27 A N S < S+ 0 0 20 -3,-2.4 2,-0.4 1,-0.2 44,-0.2 0.926 72.9 137.6 59.0 50.5 6.1 21.0 5.7 23 28 A V - 0 0 75 -4,-0.3 -4,-2.3 43,-0.1 2,-1.9 -0.993 59.1-132.8-129.4 129.5 2.9 21.1 3.7 24 29 A F B -I 18 0B 26 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.624 34.6-167.8 -80.1 85.5 0.5 24.0 3.5 25 30 A E + 0 0 127 -2,-1.9 -1,-0.2 -8,-0.6 -7,-0.1 0.842 62.4 15.3 -42.2 -65.6 -2.6 21.7 4.2 26 31 A D > + 0 0 92 -9,-0.4 4,-2.3 1,-0.1 -1,-0.2 -0.652 57.7 160.9-126.7 80.0 -5.7 23.7 3.4 27 32 A P H > S+ 0 0 47 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.881 80.7 52.5 -60.9 -42.4 -5.2 27.0 1.4 28 33 A D H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.920 111.3 46.1 -62.3 -45.4 -8.8 27.2 0.3 29 34 A G H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.929 113.7 47.6 -64.2 -46.3 -10.1 26.9 3.8 30 35 A L H X S+ 0 0 6 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.928 108.0 57.7 -60.9 -44.3 -7.6 29.4 5.2 31 36 A K H X S+ 0 0 96 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.918 102.9 51.6 -52.0 -50.9 -8.5 31.8 2.4 32 37 A E H X S+ 0 0 112 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.911 114.4 44.9 -54.2 -44.0 -12.2 31.9 3.2 33 38 A Q H X S+ 0 0 23 -4,-1.6 4,-1.8 2,-0.2 3,-0.3 0.929 111.1 51.7 -66.7 -46.5 -11.2 32.8 6.8 34 39 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.906 106.9 54.4 -57.4 -42.9 -8.6 35.4 5.9 35 40 A L H X S+ 0 0 85 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.841 106.6 51.2 -61.7 -34.7 -11.1 37.1 3.7 36 41 A Q H X S+ 0 0 81 -4,-1.2 4,-1.4 -3,-0.3 -1,-0.2 0.864 109.7 50.5 -70.4 -34.5 -13.5 37.4 6.6 37 42 A L H <>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 4,-0.3 0.930 109.3 50.6 -66.3 -45.9 -10.8 38.9 8.7 38 43 A R H ><5S+ 0 0 48 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.909 109.8 51.1 -57.8 -43.5 -10.0 41.4 6.0 39 44 A A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.6 57.5 -65.4 -30.6 -13.7 42.4 5.8 40 45 A A T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.464 120.3-107.4 -79.7 -2.4 -13.8 42.9 9.6 41 46 A G T < 5 + 0 0 10 -3,-1.4 -32,-0.2 -4,-0.3 402,-0.2 0.562 59.8 162.2 89.7 8.9 -11.0 45.5 9.4 42 47 A V < - 0 0 0 -5,-1.9 -1,-0.2 1,-0.1 -32,-0.1 -0.417 32.8-146.9 -65.0 133.5 -8.2 43.4 10.9 43 48 A D - 0 0 6 -34,-1.2 37,-1.6 1,-0.2 2,-0.3 0.862 62.7 -34.7 -71.7 -38.1 -4.8 44.8 10.1 44 49 A G E -bc 10 80A 0 -35,-1.3 -33,-1.7 35,-0.2 2,-0.3 -0.955 53.8-108.9-167.5-176.2 -2.8 41.6 9.8 45 50 A V E -bc 11 81A 0 35,-2.2 37,-2.2 -2,-0.3 2,-0.4 -0.839 19.9-137.1-127.5 166.4 -2.2 38.1 11.0 46 51 A T E -bc 12 82A 2 -35,-2.4 -33,-3.0 -2,-0.3 2,-0.3 -0.968 20.5-180.0-128.0 140.4 0.6 36.3 13.0 47 52 A V E - c 0 83A 7 35,-2.0 37,-2.6 -2,-0.4 2,-0.3 -0.996 28.5-122.3-144.9 147.6 2.2 33.0 12.4 48 53 A D E - c 0 84A 16 -2,-0.3 2,-0.8 35,-0.2 37,-0.2 -0.681 16.2-154.8 -81.6 135.8 4.9 30.7 13.9 49 54 A V E - c 0 85A 1 35,-2.5 37,-1.1 -2,-0.3 2,-0.3 -0.858 28.0-142.0-112.4 87.9 7.7 29.9 11.5 50 55 A W E >> - c 0 86A 7 -2,-0.8 4,-2.1 1,-0.1 3,-1.2 -0.374 18.0-158.2 -63.3 118.4 8.6 26.5 13.1 51 56 A W H 3> S+ 0 0 0 35,-2.7 4,-2.2 -2,-0.3 -1,-0.1 0.884 93.8 59.4 -59.5 -40.9 12.3 25.6 13.3 52 57 A G H 34 S+ 0 0 5 34,-0.4 52,-0.3 36,-0.3 -1,-0.3 0.695 110.7 42.1 -63.7 -19.9 11.5 21.9 13.7 53 58 A I H X4 S+ 0 0 4 -3,-1.2 3,-0.8 47,-0.1 4,-0.2 0.887 117.2 42.4 -91.2 -48.0 9.6 22.0 10.4 54 59 A I H 3< S+ 0 0 1 -4,-2.1 9,-1.0 1,-0.2 3,-0.2 0.865 122.3 33.7 -70.2 -41.9 12.0 24.0 8.2 55 60 A E T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 7,-0.1 -0.199 84.1 120.9-108.9 41.3 15.4 22.7 9.2 56 61 A L < + 0 0 72 -3,-0.8 49,-0.6 1,-0.2 48,-0.2 0.929 62.8 57.1 -69.1 -50.7 14.2 19.1 9.8 57 62 A K S S- 0 0 173 4,-0.5 -1,-0.2 -3,-0.2 5,-0.1 0.834 120.0 -64.1 -53.1 -41.6 16.4 17.1 7.3 58 63 A G S > S- 0 0 6 3,-0.3 3,-2.3 46,-0.0 -1,-0.2 -0.970 80.7 -22.4 170.6-179.6 19.7 18.3 8.7 59 64 A P T 3 S- 0 0 47 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.260 128.7 -8.0 -52.9 122.7 22.0 21.2 9.4 60 65 A K T 3 S+ 0 0 130 1,-0.2 2,-1.1 -5,-0.1 -5,-0.0 0.699 93.2 134.9 60.3 23.1 21.2 24.1 7.0 61 66 A Q < + 0 0 112 -3,-2.3 -4,-0.5 -6,-0.1 -3,-0.3 -0.634 35.6 175.4 -97.9 71.1 18.8 21.9 5.1 62 67 A Y - 0 0 52 -2,-1.1 2,-0.4 -7,-0.1 -7,-0.2 -0.566 23.1-170.3 -85.2 144.3 16.1 24.5 4.8 63 68 A D + 0 0 44 -9,-1.0 4,-0.2 -2,-0.2 3,-0.2 -0.912 13.9 165.5-132.8 103.4 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 0.415 46.2 103.0 -97.7 -0.3 10.9 27.4 2.7 65 70 A R H > S+ 0 0 183 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.889 79.3 46.4 -51.9 -54.4 8.4 26.4 -0.0 66 71 A A H > S+ 0 0 10 1,-0.2 4,-1.7 -44,-0.2 -1,-0.2 0.892 114.5 48.9 -59.4 -40.4 5.3 25.8 2.0 67 72 A Y H > S+ 0 0 2 1,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.830 105.8 57.7 -70.1 -29.1 5.8 29.0 4.0 68 73 A R H X S+ 0 0 83 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.915 106.3 50.2 -65.6 -38.7 6.3 30.9 0.7 69 74 A S H X S+ 0 0 68 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.898 110.8 48.7 -64.8 -40.7 2.9 29.7 -0.4 70 75 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.931 111.6 48.0 -65.3 -47.1 1.3 30.8 2.9 71 76 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.882 109.1 55.3 -61.3 -37.3 2.8 34.3 2.7 72 77 A Q H X S+ 0 0 70 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.934 109.9 45.7 -59.9 -47.2 1.7 34.6 -0.9 73 78 A L H X S+ 0 0 14 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.897 110.5 52.7 -63.5 -43.2 -1.9 33.9 0.1 74 79 A V H <>S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.2 3,-0.2 0.931 111.0 47.8 -59.4 -44.6 -1.8 36.3 3.1 75 80 A Q H ><5S+ 0 0 77 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.908 108.1 54.6 -62.6 -43.3 -0.5 39.0 0.7 76 81 A E H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 104.7 55.7 -60.5 -31.1 -3.2 38.2 -1.8 77 82 A C T 3<5S- 0 0 8 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.413 116.9-113.1 -84.0 3.1 -5.8 38.7 1.0 78 83 A G T < 5S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.873 72.1 127.2 70.4 39.8 -4.6 42.2 1.7 79 84 A L < - 0 0 6 -5,-1.5 -35,-0.2 -35,-0.0 -1,-0.2 -0.905 52.6-130.4-125.8 153.8 -3.2 41.6 5.2 80 85 A T E -c 44 0A 34 -37,-1.6 -35,-2.2 -2,-0.3 2,-0.4 -0.462 26.9-130.6 -93.0 174.2 0.2 42.3 6.8 81 86 A L E -cd 45 169A 1 87,-2.5 89,-2.6 -37,-0.2 90,-0.8 -0.984 15.2-159.1-138.1 139.6 2.2 39.7 8.7 82 87 A Q E -cd 46 171A 7 -37,-2.2 -35,-2.0 -2,-0.4 2,-0.5 -0.963 24.6-155.0-108.3 122.9 4.0 39.3 12.0 83 88 A A E -cd 47 172A 0 88,-2.3 90,-2.7 -2,-0.5 2,-0.5 -0.899 3.7-154.9-108.6 125.7 6.5 36.4 11.8 84 89 A I E -cd 48 173A 3 -37,-2.6 -35,-2.5 -2,-0.5 2,-1.5 -0.836 13.0-142.5 -98.0 124.1 7.6 34.5 14.9 85 90 A M E -cd 49 174A 0 88,-3.2 90,-1.8 -2,-0.5 2,-1.1 -0.726 27.5-162.4 -83.8 93.2 11.0 32.7 14.7 86 91 A S E +c 50 0A 0 -2,-1.5 -35,-2.7 -37,-1.1 -34,-0.4 -0.684 27.1 164.4 -87.9 95.4 9.8 29.7 16.7 87 92 A F + 0 0 0 -2,-1.1 43,-0.4 -37,-0.2 2,-0.2 0.074 55.5 84.4 -94.5 22.3 12.8 27.8 18.0 88 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 2,-0.3 -0.700 81.9 -99.1-120.4 172.9 10.7 25.9 20.4 89 94 A Q - 0 0 50 39,-1.7 2,-0.5 -2,-0.2 90,-0.4 -0.669 25.1-142.9 -92.3 145.3 8.5 22.9 20.5 90 95 A C B S+J 100 0C 2 10,-2.3 10,-2.7 -2,-0.3 -40,-0.0 -0.926 72.2 59.7-106.3 131.2 4.7 23.0 20.2 91 96 A G S S+ 0 0 22 -2,-0.5 -1,-0.1 8,-0.2 4,-0.1 0.063 82.2 65.8 148.5 -37.2 2.8 20.5 22.3 92 97 A G S S+ 0 0 15 -3,-0.2 97,-0.6 2,-0.1 98,-0.6 0.392 85.7 77.3 -99.9 5.4 3.4 20.8 26.1 93 98 A N S > S- 0 0 20 96,-0.1 3,-2.3 1,-0.1 -2,-0.1 -0.738 95.9 -68.5-113.6 163.1 1.9 24.1 26.9 94 99 A V T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 -0.179 119.6 10.9 -50.5 127.0 -1.7 25.4 27.3 95 100 A G T 3 S+ 0 0 53 1,-0.2 2,-1.7 -4,-0.1 -1,-0.3 0.238 82.4 140.1 89.4 -14.1 -3.6 25.3 24.0 96 101 A D < + 0 0 38 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.0 -0.446 17.1 166.9 -67.2 88.2 -1.0 23.3 22.1 97 102 A I + 0 0 150 -2,-1.7 2,-0.3 -3,-0.1 -1,-0.2 0.395 59.5 53.0 -84.8 2.5 -3.3 21.1 20.1 98 103 A V S S- 0 0 41 2,-0.0 2,-0.6 -3,-0.0 -82,-0.1 -0.983 78.6-126.6-138.0 148.9 -0.5 19.9 17.7 99 104 A N + 0 0 121 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.857 33.1 161.6-101.6 118.0 2.9 18.3 18.3 100 105 A I B -J 90 0C 2 -10,-2.7 -10,-2.3 -2,-0.6 -48,-0.2 -0.843 17.9-167.0-135.2 96.2 5.8 20.0 16.6 101 106 A P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 -49,-0.1 -0.185 30.9 -95.2 -75.8 173.1 9.2 19.1 18.1 102 107 A I S S- 0 0 3 25,-0.4 5,-0.1 1,-0.2 -50,-0.1 -0.354 75.1 -48.4 -78.0 171.3 12.5 20.9 17.4 103 108 A P >> - 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.073 48.5-134.4 -45.4 132.8 14.7 19.4 14.6 104 109 A Q H 3> S+ 0 0 104 -52,-0.3 4,-2.1 1,-0.3 5,-0.2 0.850 104.8 59.8 -58.4 -36.7 15.2 15.6 14.9 105 110 A W H 3> S+ 0 0 19 -49,-0.6 4,-1.0 1,-0.2 -1,-0.3 0.804 106.1 47.9 -65.3 -26.3 18.9 15.9 14.2 106 111 A V H <> S+ 0 0 0 -3,-1.0 4,-1.8 2,-0.2 3,-0.3 0.902 109.2 53.1 -76.8 -42.0 19.2 18.2 17.3 107 112 A L H X S+ 0 0 28 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.841 103.4 58.4 -59.9 -33.8 17.2 15.7 19.3 108 113 A D H >X S+ 0 0 91 -4,-2.1 3,-0.9 1,-0.2 4,-0.7 0.895 105.0 49.1 -63.8 -39.0 19.6 13.0 18.2 109 114 A I H >X S+ 0 0 22 -4,-1.0 4,-1.3 -3,-0.3 3,-1.0 0.874 104.1 61.1 -66.9 -34.9 22.5 15.0 19.8 110 115 A G H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.677 93.8 65.1 -64.9 -16.8 20.4 15.2 22.9 111 116 A E H << S+ 0 0 119 -3,-0.9 -1,-0.2 -4,-0.6 3,-0.2 0.831 111.1 33.5 -74.5 -33.0 20.4 11.4 23.1 112 117 A S H << S+ 0 0 106 -3,-1.0 2,-0.2 -4,-0.7 -2,-0.2 0.550 130.8 35.0 -98.1 -11.0 24.2 11.4 23.7 113 118 A N >< + 0 0 29 -4,-1.3 3,-1.0 -5,-0.1 -1,-0.3 -0.735 61.4 176.0-145.1 88.8 24.2 14.7 25.7 114 119 A H G > + 0 0 84 1,-0.3 3,-1.4 -2,-0.2 -4,-0.1 0.636 69.8 80.5 -68.6 -15.7 21.1 15.1 27.8 115 120 A D G 3 + 0 0 33 1,-0.3 92,-0.4 90,-0.1 -1,-0.3 0.356 68.4 81.5 -77.2 8.4 22.5 18.4 29.3 116 121 A I G < S+ 0 0 0 -3,-1.0 15,-2.2 -6,-0.1 2,-0.3 0.535 86.5 75.6 -86.1 -5.0 21.5 20.4 26.2 117 122 A F E < S-K 130 0D 1 -3,-1.4 10,-0.2 13,-0.2 13,-0.1 -0.759 97.6 -95.8-107.9 150.9 18.0 20.5 27.8 118 123 A Y E -K 126 0D 1 11,-0.8 8,-2.8 8,-0.7 2,-0.4 -0.410 49.3-162.9 -59.8 137.8 16.6 22.5 30.7 119 124 A T E -K 125 0D 3 83,-0.3 85,-2.2 6,-0.2 86,-0.3 -0.987 10.3-146.4-132.4 136.9 16.8 20.3 33.7 120 125 A N > - 0 0 5 4,-1.5 3,-1.9 -2,-0.4 82,-0.1 -0.389 40.8 -90.7 -93.6 175.1 15.1 20.4 37.2 121 126 A R T 3 S+ 0 0 138 80,-0.5 -1,-0.1 1,-0.3 81,-0.1 0.808 125.2 56.0 -54.6 -33.4 16.6 19.4 40.5 122 127 A S T 3 S- 0 0 73 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.588 118.8-108.9 -77.2 -10.9 15.2 15.9 40.1 123 128 A G < + 0 0 34 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.539 65.1 149.6 96.9 7.0 17.0 15.4 36.8 124 129 A T - 0 0 66 1,-0.0 -4,-1.5 67,-0.0 2,-0.4 -0.603 38.1-141.6 -76.6 129.4 14.0 15.5 34.5 125 130 A R E -K 119 0D 71 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.783 4.5-149.6 -95.5 133.8 15.0 16.9 31.1 126 131 A N E -K 118 0D 10 -8,-2.8 -8,-0.7 -2,-0.4 3,-0.5 -0.899 7.2-167.6-101.4 123.0 12.6 19.2 29.2 127 132 A K E + 0 0 89 -2,-0.6 -25,-0.4 1,-0.2 3,-0.1 0.230 62.9 93.6 -96.7 16.6 13.0 18.9 25.4 128 133 A E E S+ 0 0 5 1,-0.2 -39,-1.7 -10,-0.1 2,-0.3 0.667 95.6 10.9 -83.1 -14.6 11.0 21.9 24.3 129 134 A Y E S- 0 0 0 -3,-0.5 -11,-0.8 -41,-0.2 2,-0.3 -0.970 79.7-103.2-162.0 144.7 13.9 24.3 24.1 130 135 A L E -K 117 0D 0 -43,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.542 47.6-108.8 -72.6 129.3 17.7 24.3 24.2 131 136 A T > - 0 0 0 -15,-2.2 3,-2.1 -2,-0.3 4,-0.1 -0.211 17.4-122.9 -57.9 144.8 19.1 25.4 27.6 132 137 A V G > S+ 0 0 10 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.714 106.3 81.8 -60.8 -16.9 20.8 28.9 27.6 133 138 A G G 3 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.793 94.2 42.0 -59.7 -27.8 23.7 26.8 28.9 134 139 A V G X S+ 0 0 0 -3,-2.1 3,-1.5 -18,-0.2 11,-1.4 0.260 75.7 113.8-106.1 14.2 24.6 25.8 25.4 135 140 A D T < S+ 0 0 3 -3,-1.6 11,-2.1 1,-0.3 12,-0.4 0.879 95.2 23.9 -48.1 -44.1 24.1 29.2 23.7 136 141 A N T 3 S+ 0 0 97 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.064 93.0 112.4-115.7 25.9 27.9 29.3 23.0 137 142 A E < - 0 0 77 -3,-1.5 2,-2.3 1,-0.1 8,-0.3 -0.889 61.4-142.9 -99.6 118.1 28.9 25.6 23.1 138 143 A P + 0 0 80 0, 0.0 4,-0.4 0, 0.0 6,-0.2 -0.271 63.8 119.8 -76.4 55.8 30.0 24.5 19.5 139 144 A I + 0 0 51 -2,-2.3 2,-0.9 -5,-0.2 5,-0.2 0.375 42.7 86.9-103.7 2.9 28.5 21.0 20.0 140 145 A F B > S-L 143 0E 0 3,-2.3 3,-1.9 -3,-0.3 -1,-0.1 -0.676 124.8 -57.0-106.1 77.5 25.9 20.9 17.2 141 146 A H T 3 S- 0 0 132 -2,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.896 115.3 -39.7 53.5 44.8 28.0 19.6 14.3 142 147 A G T 3 S+ 0 0 58 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.138 122.3 101.8 95.1 -20.3 30.4 22.5 14.7 143 148 A R B < -L 140 0E 20 -3,-1.9 -3,-2.3 -6,-0.0 -1,-0.3 -0.673 63.6-133.3-101.5 154.3 27.8 25.2 15.4 144 149 A T > - 0 0 13 -2,-0.2 4,-1.9 -6,-0.2 -8,-0.2 -0.524 34.7-104.9 -92.1 167.2 26.7 26.8 18.7 145 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.1 -8,-0.3 -10,-0.2 0.932 122.0 50.2 -60.0 -45.2 23.0 27.2 19.5 146 151 A I H > S+ 0 0 10 -11,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.867 107.3 53.6 -62.9 -35.8 23.1 30.9 18.8 147 152 A E H > S+ 0 0 87 -12,-0.4 4,-3.1 2,-0.2 5,-0.2 0.896 106.8 52.9 -65.7 -37.9 24.8 30.3 15.4 148 153 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.947 111.4 45.6 -60.1 -47.9 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 0.898 114.2 49.9 -62.1 -41.1 19.4 30.6 15.4 150 155 A S H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.940 110.0 48.0 -64.1 -49.1 21.4 33.2 13.4 151 156 A D H X S+ 0 0 49 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.865 110.1 55.2 -59.4 -37.0 21.8 31.1 10.3 152 157 A Y H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.929 109.0 45.0 -62.8 -48.0 18.1 30.3 10.4 153 158 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.859 111.8 52.6 -66.6 -36.2 17.1 34.0 10.4 154 159 A K H X S+ 0 0 79 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.906 109.1 49.5 -65.8 -41.0 19.6 34.9 7.7 155 160 A S H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.904 110.7 50.7 -64.5 -40.0 18.1 32.1 5.4 156 161 A F H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.959 110.3 50.1 -60.1 -50.2 14.6 33.5 6.1 157 162 A R H < S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.922 115.6 41.7 -54.3 -49.4 15.7 37.0 5.2 158 163 A E H >< S+ 0 0 132 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.907 117.6 44.3 -68.1 -44.3 17.3 35.9 1.9 159 164 A N H 3< S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.666 120.0 41.2 -77.4 -15.6 14.6 33.4 0.8 160 165 A M T 3X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 3,-0.5 0.084 78.0 121.8-115.7 20.0 11.7 35.7 1.7 161 166 A S H <> S+ 0 0 49 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.812 70.9 54.0 -53.4 -37.7 13.4 38.9 0.4 162 167 A D H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 109.7 46.7 -68.0 -38.7 10.6 39.6 -2.1 163 168 A F H 4>S+ 0 0 2 -3,-0.5 5,-2.4 2,-0.2 6,-0.5 0.880 113.4 49.6 -70.0 -36.0 8.0 39.6 0.6 164 169 A L H ><5S+ 0 0 7 -4,-2.1 3,-1.3 1,-0.2 120,-0.2 0.927 111.6 47.6 -67.4 -44.8 10.1 41.8 2.9 165 170 A E H 3<5S+ 0 0 153 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.0 55.3 -66.1 -32.2 10.8 44.3 0.1 166 171 A S T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.471 116.5-117.2 -79.8 -1.2 7.1 44.5 -0.8 167 172 A G T < 5S+ 0 0 32 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.745 72.6 134.0 74.2 25.5 6.4 45.3 2.9 168 173 A L < + 0 0 9 -5,-2.4 -87,-2.5 -6,-0.2 2,-0.6 0.934 59.1 65.9 -70.7 -45.1 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 -0.696 56.3-179.7 -86.9 120.2 6.1 41.5 7.0 170 175 A I E - 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