==== 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 1Q6E . 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) . 18611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 67.3 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 . 11 2.2 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.7 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 2 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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 . 3 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 0 132 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 138.5 -7.3 63.5 14.2 2 7 A M G > + 0 0 51 1,-0.3 3,-3.3 2,-0.2 4,-0.3 0.779 360.0 78.5 -52.9 -33.5 -8.7 60.3 15.7 3 8 A L G > S+ 0 0 34 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.737 82.3 67.7 -51.2 -23.6 -6.5 58.2 13.4 4 9 A L G < S+ 0 0 61 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.654 96.3 53.8 -71.6 -15.9 -3.6 59.0 15.8 5 10 A N G < S+ 0 0 2 -3,-3.3 -1,-0.3 -4,-0.2 2,-0.2 0.392 82.3 125.0 -96.2 -1.5 -5.4 56.9 18.5 6 11 A Y < - 0 0 6 -3,-1.2 431,-0.2 -4,-0.3 430,-0.1 -0.425 41.9-167.8 -64.8 123.6 -5.6 53.9 16.1 7 12 A V - 0 0 2 429,-2.2 403,-0.1 -2,-0.2 431,-0.1 -0.964 22.8-124.1-116.3 116.6 -4.1 50.8 17.6 8 13 A P - 0 0 0 0, 0.0 403,-2.1 0, 0.0 2,-0.4 -0.245 18.8-147.6 -61.8 144.9 -3.6 47.9 15.0 9 14 A V E -a 411 0A 0 32,-0.2 34,-1.7 401,-0.2 35,-1.2 -0.955 14.6-175.2-117.5 130.6 -5.1 44.5 15.6 10 15 A Y E -ab 412 44A 11 401,-2.6 403,-3.7 -2,-0.4 2,-0.4 -0.856 13.0-143.7-121.1 156.8 -3.5 41.3 14.5 11 16 A V E -ab 413 45A 0 33,-1.7 35,-2.0 -2,-0.3 2,-0.2 -0.984 16.6-124.6-127.3 131.8 -4.8 37.7 14.6 12 17 A M E - b 0 46A 8 401,-2.9 404,-3.1 -2,-0.4 403,-0.3 -0.523 27.4-129.3 -72.4 134.9 -2.8 34.6 15.3 13 18 A L - 0 0 3 33,-2.9 35,-0.1 -2,-0.2 3,-0.1 -0.383 40.5 -79.2 -77.7 162.3 -3.2 31.9 12.6 14 19 A P > - 0 0 39 0, 0.0 3,-1.1 0, 0.0 2,-0.3 -0.231 50.3-104.7 -60.4 152.4 -4.0 28.4 13.7 15 20 A L T 3 S+ 0 0 20 1,-0.2 4,-0.1 2,-0.1 32,-0.0 -0.601 107.7 25.4 -75.6 140.2 -1.1 26.3 15.0 16 21 A G T 3 + 0 0 11 -2,-0.3 9,-0.2 2,-0.2 -1,-0.2 0.636 67.5 144.6 82.9 11.2 -0.1 23.8 12.3 17 22 A V S < S+ 0 0 19 -3,-1.1 2,-0.5 1,-0.2 8,-0.5 0.838 85.7 37.8 -51.6 -29.7 -1.4 25.8 9.3 18 23 A V S S- 0 0 2 6,-0.2 -1,-0.2 7,-0.1 6,-0.2 -0.989 104.1-134.7-120.3 115.4 1.7 24.2 7.8 19 24 A N > - 0 0 22 4,-2.1 3,-2.4 -2,-0.5 4,-0.4 -0.057 25.3 -94.4 -70.4 172.7 2.0 20.7 9.1 20 25 A V T 3 S+ 0 0 55 1,-0.3 -1,-0.1 2,-0.2 80,-0.0 0.644 124.1 62.0 -60.8 -16.2 5.0 18.8 10.4 21 26 A D T 3 S- 0 0 124 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.334 119.9-110.8 -91.2 7.5 5.6 17.3 7.0 22 27 A N S < S+ 0 0 20 -3,-2.4 2,-0.4 1,-0.2 44,-0.2 0.939 72.4 138.3 63.3 50.7 6.1 20.9 5.7 23 28 A V - 0 0 74 -4,-0.4 -4,-2.1 43,-0.1 2,-1.9 -0.994 59.1-132.1-129.7 129.6 2.9 21.0 3.7 24 29 A F - 0 0 25 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.625 34.9-169.0 -79.5 86.3 0.4 23.9 3.5 25 30 A E + 0 0 127 -2,-1.9 -1,-0.2 -8,-0.5 -7,-0.1 0.866 62.8 17.2 -44.8 -66.2 -2.6 21.7 4.2 26 31 A D > + 0 0 91 -9,-0.4 4,-2.3 1,-0.2 -1,-0.2 -0.687 58.6 160.0-122.6 81.3 -5.7 23.7 3.5 27 32 A P H > S+ 0 0 46 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.921 80.9 50.4 -62.5 -45.7 -5.1 26.9 1.4 28 33 A D H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.896 112.1 47.4 -60.4 -43.8 -8.8 27.2 0.3 29 34 A G H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 113.5 46.2 -64.5 -47.7 -10.0 26.9 3.9 30 35 A L H X S+ 0 0 7 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.913 108.4 59.6 -61.3 -42.5 -7.5 29.4 5.3 31 36 A K H X S+ 0 0 98 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.919 103.6 47.9 -53.7 -50.7 -8.3 31.7 2.4 32 37 A E H X S+ 0 0 119 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.921 114.8 47.5 -59.1 -41.7 -12.1 32.0 3.3 33 38 A Q H X S+ 0 0 29 -4,-1.7 4,-2.0 1,-0.2 3,-0.3 0.930 111.5 50.0 -63.2 -46.3 -11.1 32.6 6.9 34 39 A L H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.903 107.2 54.7 -59.4 -41.8 -8.5 35.2 5.9 35 40 A L H X S+ 0 0 85 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.832 106.9 51.5 -62.5 -32.4 -11.0 37.0 3.7 36 41 A Q H X S+ 0 0 77 -4,-1.4 4,-1.6 -3,-0.3 -1,-0.2 0.898 109.5 48.8 -71.4 -39.4 -13.4 37.3 6.6 37 42 A L H <>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 4,-0.5 0.927 110.0 53.1 -63.3 -43.0 -10.7 38.8 8.8 38 43 A R H ><5S+ 0 0 47 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.918 109.7 47.6 -56.4 -46.1 -9.9 41.2 5.9 39 44 A A H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.3 60.3 -67.4 -28.1 -13.6 42.3 5.8 40 45 A A T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.542 119.0-108.6 -77.1 -8.3 -13.6 42.7 9.6 41 46 A G T < 5 + 0 0 9 -3,-1.2 -32,-0.2 -4,-0.5 402,-0.2 0.557 59.5 162.1 92.5 9.1 -10.9 45.3 9.4 42 47 A V < - 0 0 0 -5,-2.0 -1,-0.3 1,-0.1 -32,-0.1 -0.409 32.6-147.8 -64.3 134.1 -8.1 43.3 10.9 43 48 A D - 0 0 5 -34,-1.7 37,-1.5 1,-0.1 2,-0.3 0.853 62.1 -36.8 -74.6 -35.6 -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 -0.938 53.9-107.3-168.1-171.5 -2.7 41.6 9.9 45 50 A V E -bc 11 81A 0 35,-2.3 37,-2.5 -2,-0.3 2,-0.4 -0.915 17.2-137.3-134.7 160.9 -2.0 38.1 11.1 46 51 A M E -bc 12 82A 2 -35,-2.0 -33,-2.9 -2,-0.3 2,-0.3 -0.946 23.3-179.9-120.2 140.0 0.8 36.4 13.2 47 52 A V E - c 0 83A 5 35,-2.2 37,-2.5 -2,-0.4 2,-0.4 -0.994 28.3-121.0-143.6 148.6 2.2 33.0 12.4 48 53 A D E - c 0 84A 20 -2,-0.3 2,-0.9 35,-0.2 37,-0.1 -0.737 14.4-157.7 -85.6 129.8 4.9 30.6 13.8 49 54 A V E - c 0 85A 0 35,-2.6 37,-1.2 -2,-0.4 2,-0.3 -0.847 28.3-142.6-107.2 89.2 7.7 29.8 11.3 50 55 A W E >> - c 0 86A 6 -2,-0.9 4,-2.1 1,-0.1 3,-1.0 -0.375 18.3-158.1 -63.6 120.6 8.6 26.5 13.0 51 56 A W H 3> S+ 0 0 0 35,-2.6 4,-2.2 -2,-0.3 -1,-0.1 0.901 94.2 60.1 -61.2 -40.8 12.3 25.6 13.2 52 57 A G H 34 S+ 0 0 3 34,-0.4 52,-0.3 36,-0.3 -1,-0.3 0.702 110.3 41.4 -62.5 -20.6 11.4 21.9 13.6 53 58 A I H X4 S+ 0 0 3 -3,-1.0 3,-0.8 47,-0.1 4,-0.2 0.885 118.0 42.1 -91.5 -47.6 9.6 21.9 10.3 54 59 A I H 3< S+ 0 0 2 -4,-2.1 9,-0.9 1,-0.2 3,-0.2 0.878 121.8 34.4 -70.0 -43.9 11.9 23.9 8.1 55 60 A E T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 50,-0.2 -0.199 84.9 120.6-106.4 41.3 15.4 22.6 9.1 56 61 A L < + 0 0 64 -3,-0.8 49,-0.6 1,-0.2 -1,-0.2 0.953 62.1 57.2 -68.3 -55.2 14.1 19.1 9.7 57 62 A K S S- 0 0 154 4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.820 120.3 -63.8 -48.8 -42.3 16.2 17.1 7.2 58 63 A G S > S- 0 0 6 3,-0.3 3,-2.2 46,-0.0 -1,-0.1 -0.977 80.6 -23.2 171.4-178.1 19.6 18.2 8.7 59 64 A P T 3 S- 0 0 51 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.294 128.7 -6.2 -55.8 125.9 21.9 21.2 9.4 60 65 A K T 3 S+ 0 0 123 1,-0.2 2,-1.1 -5,-0.1 -5,-0.0 0.678 93.6 134.2 60.8 21.6 21.2 24.0 6.9 61 66 A Q < + 0 0 109 -3,-2.2 -4,-0.4 -6,-0.1 -3,-0.3 -0.623 34.5 173.7 -98.4 71.6 18.7 21.8 5.1 62 67 A Y - 0 0 52 -2,-1.1 2,-0.4 -7,-0.2 -7,-0.2 -0.582 22.6-172.0 -86.3 143.2 16.0 24.4 4.8 63 68 A D + 0 0 43 -9,-0.9 4,-0.2 -2,-0.3 3,-0.2 -0.920 12.3 167.0-132.2 104.7 12.8 24.0 2.8 64 69 A W > + 0 0 11 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 0.383 45.5 104.7 -99.1 3.5 10.8 27.3 2.7 65 70 A R H > S+ 0 0 179 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.870 78.6 46.1 -54.0 -50.0 8.4 26.2 -0.0 66 71 A A H > S+ 0 0 9 1,-0.2 4,-2.0 -44,-0.2 -1,-0.2 0.918 114.1 49.4 -63.1 -42.4 5.2 25.7 2.1 67 72 A Y H > S+ 0 0 1 1,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.840 106.3 56.1 -67.4 -29.2 5.8 28.9 3.9 68 73 A R H X S+ 0 0 79 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.919 107.0 50.6 -66.9 -38.8 6.3 30.8 0.7 69 74 A S H X S+ 0 0 66 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.903 111.8 47.6 -63.0 -41.3 2.8 29.5 -0.4 70 75 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.950 111.7 48.2 -65.2 -50.2 1.3 30.7 2.9 71 76 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.893 109.2 55.1 -57.8 -40.1 2.9 34.2 2.7 72 77 A Q H X S+ 0 0 69 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.915 109.7 46.6 -58.8 -44.9 1.7 34.5 -0.9 73 78 A L H X S+ 0 0 15 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.933 110.4 51.7 -64.4 -46.1 -1.9 33.8 0.2 74 79 A V H <>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 3,-0.3 0.929 111.7 48.3 -56.8 -44.7 -1.7 36.2 3.1 75 80 A Q H ><5S+ 0 0 72 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.911 107.9 53.9 -62.6 -42.9 -0.5 38.9 0.7 76 81 A E H 3<5S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 105.3 55.9 -62.2 -27.5 -3.2 38.1 -1.8 77 82 A C T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.367 116.3-113.3 -87.5 5.5 -5.8 38.6 1.0 78 83 A G T < 5S+ 0 0 40 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.828 72.0 129.1 69.3 34.5 -4.5 42.1 1.8 79 84 A L < - 0 0 6 -5,-1.7 -35,-0.2 -35,-0.0 -1,-0.2 -0.888 51.5-132.7-120.5 150.9 -3.1 41.4 5.3 80 85 A T E -c 44 0A 34 -37,-1.5 -35,-2.3 -2,-0.3 2,-0.4 -0.488 26.4-129.2 -92.5 171.5 0.3 42.2 6.8 81 86 A L E -cd 45 169A 0 87,-2.6 89,-2.9 -37,-0.2 90,-1.1 -0.973 17.1-160.9-134.9 140.2 2.3 39.6 8.7 82 87 A Q E -cd 46 171A 2 -37,-2.5 -35,-2.2 -2,-0.4 2,-0.5 -0.972 27.0-157.7-109.3 115.4 4.1 39.2 12.0 83 88 A A E -cd 47 172A 0 88,-2.6 90,-2.8 -2,-0.6 2,-0.5 -0.869 3.9-152.4-104.2 129.5 6.5 36.3 11.6 84 89 A I E -cd 48 173A 7 -37,-2.5 -35,-2.6 -2,-0.5 2,-1.7 -0.858 13.1-142.4-100.9 125.4 7.8 34.3 14.6 85 90 A M E -cd 49 174A 0 88,-3.5 90,-2.1 -2,-0.5 2,-1.2 -0.728 30.3-161.3 -83.1 89.8 11.1 32.6 14.4 86 91 A S E +c 50 0A 0 -2,-1.7 -35,-2.6 -37,-1.2 -34,-0.4 -0.645 26.6 166.2 -83.8 92.1 9.8 29.7 16.4 87 92 A F + 0 0 0 -2,-1.2 43,-0.4 -37,-0.2 2,-0.2 0.064 54.2 83.2 -91.8 24.8 12.8 27.8 17.8 88 93 A H S S- 0 0 8 41,-0.1 -36,-0.3 13,-0.1 2,-0.3 -0.749 81.7 -98.8-124.4 171.6 10.6 25.9 20.2 89 94 A Q - 0 0 47 39,-1.9 2,-0.5 -2,-0.2 90,-0.4 -0.618 24.9-142.7 -90.1 146.4 8.4 22.8 20.3 90 95 A C B S+J 100 0B 1 10,-2.9 10,-2.4 -2,-0.3 -40,-0.0 -0.931 73.2 58.2-107.0 133.2 4.7 23.0 20.0 91 96 A G S S+ 0 0 22 -2,-0.5 -1,-0.1 8,-0.2 4,-0.1 -0.028 82.4 67.8 146.6 -42.0 2.8 20.4 22.1 92 97 A G S S+ 0 0 15 -3,-0.2 98,-0.6 2,-0.1 97,-0.6 0.403 85.9 76.5 -93.7 4.3 3.5 20.7 25.8 93 98 A N S > S- 0 0 19 96,-0.1 3,-2.2 1,-0.1 -2,-0.1 -0.706 94.9 -69.7-113.3 166.2 1.8 24.0 26.6 94 99 A V T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.233 118.8 11.1 -54.0 126.8 -1.7 25.2 27.1 95 100 A G T 3 S+ 0 0 54 1,-0.2 2,-1.4 -4,-0.1 -1,-0.3 0.329 83.3 139.8 88.4 -9.4 -3.6 25.3 23.8 96 101 A D < + 0 0 36 -3,-2.2 -1,-0.2 1,-0.2 -6,-0.0 -0.551 18.1 168.5 -72.3 95.8 -1.0 23.3 21.9 97 102 A I + 0 0 150 -2,-1.4 2,-0.3 -3,-0.1 -1,-0.2 0.407 60.1 52.8 -89.2 1.5 -3.3 21.1 19.8 98 103 A V S S- 0 0 41 2,-0.1 2,-0.7 -3,-0.0 -82,-0.1 -0.974 77.7-127.1-136.8 151.1 -0.5 19.9 17.5 99 104 A N + 0 0 121 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.863 33.1 161.9-104.5 109.6 2.9 18.3 18.1 100 105 A I B -J 90 0B 1 -10,-2.4 -10,-2.9 -2,-0.7 -48,-0.1 -0.906 18.7-167.2-126.3 98.9 5.8 20.1 16.3 101 106 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.281 31.1 -94.7 -79.1 170.5 9.1 19.1 17.9 102 107 A I S S- 0 0 3 25,-0.4 5,-0.1 1,-0.2 -50,-0.1 -0.338 75.8 -48.6 -75.7 170.3 12.4 20.9 17.2 103 108 A P >> - 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.051 48.7-132.3 -44.1 134.1 14.5 19.4 14.4 104 109 A Q H 3> S+ 0 0 95 -52,-0.3 4,-2.1 1,-0.3 5,-0.1 0.853 105.7 59.7 -57.4 -36.8 15.0 15.6 14.7 105 110 A W H 3> S+ 0 0 17 -49,-0.6 4,-1.0 1,-0.2 -1,-0.3 0.770 105.6 47.8 -66.8 -24.0 18.8 16.0 14.2 106 111 A V H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 3,-0.3 0.886 109.3 53.2 -79.8 -40.4 19.0 18.2 17.2 107 112 A L H X S+ 0 0 29 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.865 104.5 57.4 -59.8 -35.5 17.0 15.7 19.2 108 113 A D H >X S+ 0 0 83 -4,-2.1 4,-0.8 1,-0.2 3,-0.6 0.877 105.3 48.4 -64.6 -37.6 19.5 13.0 18.1 109 114 A I H >X S+ 0 0 23 -4,-1.0 4,-2.1 -3,-0.3 3,-0.8 0.885 105.6 59.9 -68.7 -35.3 22.4 14.9 19.6 110 115 A G H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.725 93.3 67.1 -63.4 -21.3 20.3 15.3 22.7 111 116 A E H << S+ 0 0 121 -4,-0.8 3,-0.3 -3,-0.6 -1,-0.2 0.898 111.6 31.2 -66.0 -41.4 20.2 11.5 22.9 112 117 A S H << S+ 0 0 109 -3,-0.8 2,-0.4 -4,-0.8 -2,-0.2 0.724 130.8 38.1 -89.1 -23.6 24.0 11.3 23.6 113 118 A N >< + 0 0 28 -4,-2.1 3,-1.1 -5,-0.1 -1,-0.3 -0.809 62.5 176.2-131.2 89.9 24.1 14.7 25.5 114 119 A H G > + 0 0 92 -2,-0.4 3,-1.2 -3,-0.3 -1,-0.1 0.610 69.4 79.3 -67.7 -13.8 21.0 15.1 27.6 115 120 A D G 3 + 0 0 33 1,-0.3 92,-0.3 90,-0.1 -1,-0.3 0.380 68.3 81.4 -80.5 6.7 22.3 18.4 29.0 116 121 A I G < S+ 0 0 0 -3,-1.1 15,-2.0 -6,-0.1 2,-0.3 0.536 87.1 74.7 -84.3 -5.1 21.3 20.4 26.0 117 122 A F E < S-K 130 0C 3 -3,-1.2 10,-0.2 13,-0.2 13,-0.2 -0.781 98.2 -95.9-108.2 151.2 17.8 20.5 27.5 118 123 A Y E -K 126 0C 0 11,-0.8 8,-2.8 8,-0.7 2,-0.4 -0.418 48.3-162.5 -60.8 136.6 16.5 22.5 30.4 119 124 A T E -K 125 0C 3 83,-0.3 85,-2.3 6,-0.2 86,-0.3 -0.983 9.9-147.0-130.8 136.8 16.7 20.3 33.5 120 125 A N > - 0 0 3 4,-1.4 3,-2.1 -2,-0.4 82,-0.1 -0.374 41.6 -90.8 -92.7 175.2 15.0 20.5 36.9 121 126 A R T 3 S+ 0 0 140 80,-0.4 -1,-0.1 1,-0.3 81,-0.1 0.812 126.5 58.1 -55.4 -33.1 16.4 19.3 40.3 122 127 A S T 3 S- 0 0 65 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.593 117.1-113.8 -73.9 -11.9 14.9 15.9 39.8 123 128 A G < + 0 0 34 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.589 63.1 150.5 90.3 9.7 16.9 15.5 36.5 124 129 A T - 0 0 66 1,-0.0 -4,-1.4 67,-0.0 2,-0.5 -0.624 39.3-139.0 -76.7 130.3 13.9 15.5 34.2 125 130 A R E -K 119 0C 73 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.798 5.9-150.6 -95.6 131.3 14.9 16.9 30.8 126 131 A N E -K 118 0C 8 -8,-2.8 -8,-0.7 -2,-0.5 3,-0.5 -0.884 7.5-168.1 -98.4 121.7 12.4 19.2 29.0 127 132 A K E + 0 0 94 -2,-0.6 -25,-0.4 1,-0.2 -1,-0.1 0.220 62.5 94.2 -96.7 16.8 12.9 18.9 25.2 128 133 A E E S+ 0 0 5 1,-0.2 -39,-1.9 -10,-0.1 2,-0.3 0.655 95.6 10.9 -82.9 -13.1 10.9 21.9 24.1 129 134 A Y E S- 0 0 0 -3,-0.5 -11,-0.8 -41,-0.2 2,-0.5 -0.981 80.1-102.2-161.7 149.8 13.8 24.3 23.9 130 135 A L E -K 117 0C 0 -43,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.638 47.5-109.7 -78.6 124.7 17.6 24.3 24.0 131 136 A T > - 0 0 0 -15,-2.0 3,-1.9 -2,-0.5 4,-0.2 -0.126 18.8-121.0 -52.5 147.0 19.0 25.4 27.4 132 137 A V G > S+ 0 0 9 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.722 106.8 81.4 -61.5 -18.1 20.7 28.8 27.5 133 138 A G G 3 S+ 0 0 13 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.769 94.0 41.5 -60.0 -26.8 23.6 26.8 28.7 134 139 A V G X S+ 0 0 0 -3,-1.9 3,-1.9 -18,-0.2 11,-1.5 0.298 76.1 114.4-106.3 11.1 24.5 25.7 25.2 135 140 A D T < S+ 0 0 4 -3,-1.5 11,-2.3 1,-0.3 12,-0.4 0.861 95.5 22.4 -44.9 -44.2 24.0 29.1 23.5 136 141 A N T 3 S+ 0 0 95 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.009 93.6 114.3-117.7 28.1 27.7 29.3 22.7 137 142 A E < - 0 0 76 -3,-1.9 2,-2.0 1,-0.1 3,-0.3 -0.897 60.5-143.9 -99.5 119.8 28.7 25.6 22.9 138 143 A P + 0 0 81 0, 0.0 4,-0.4 0, 0.0 6,-0.2 -0.292 64.2 118.9 -79.8 55.8 29.9 24.5 19.4 139 144 A I + 0 0 49 -2,-2.0 2,-0.9 -5,-0.2 5,-0.2 0.354 43.0 88.6-103.1 3.4 28.4 21.0 19.9 140 145 A F B > S-L 143 0D 0 3,-2.4 3,-2.2 -3,-0.3 -1,-0.1 -0.687 124.1 -58.8-105.3 79.7 25.8 20.9 17.1 141 146 A H T 3 S- 0 0 132 -2,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.893 115.4 -39.2 49.5 43.9 27.8 19.5 14.2 142 147 A G T 3 S+ 0 0 57 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.085 122.5 99.5 98.2 -24.3 30.2 22.5 14.6 143 148 A R B < -L 140 0D 22 -3,-2.2 -3,-2.4 -5,-0.0 -1,-0.3 -0.631 64.5-132.2 -99.4 156.5 27.7 25.2 15.3 144 149 A T > - 0 0 13 -6,-0.2 4,-1.7 -2,-0.2 -8,-0.2 -0.525 36.3-103.3 -92.5 168.7 26.6 26.7 18.6 145 150 A A H > S+ 0 0 0 -11,-1.5 4,-2.0 -8,-0.3 -10,-0.2 0.897 122.4 51.5 -61.5 -39.5 22.9 27.1 19.4 146 151 A I H > S+ 0 0 9 -11,-2.3 4,-2.8 -12,-0.2 -1,-0.2 0.852 106.4 52.8 -67.1 -35.4 23.0 30.8 18.6 147 152 A E H > S+ 0 0 88 -12,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.856 107.5 53.5 -68.5 -32.1 24.7 30.3 15.3 148 153 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.950 112.1 43.5 -64.8 -47.0 21.9 27.8 14.4 149 154 A Y H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.905 115.7 49.6 -63.5 -42.0 19.3 30.5 15.2 150 155 A S H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.934 110.2 48.1 -64.2 -47.6 21.3 33.1 13.4 151 156 A D H X S+ 0 0 39 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.863 110.0 55.6 -61.1 -35.0 21.7 31.0 10.2 152 157 A Y H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.914 108.6 45.3 -63.6 -46.0 18.0 30.3 10.3 153 158 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.853 111.6 51.8 -69.0 -35.3 17.0 33.9 10.3 154 159 A K H X S+ 0 0 85 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.923 109.7 49.3 -66.8 -42.6 19.5 34.8 7.5 155 160 A S H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.888 111.2 51.0 -62.5 -37.7 18.1 32.1 5.3 156 161 A F H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.955 110.0 49.5 -62.7 -50.0 14.6 33.4 6.1 157 162 A R H < S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.2 7,-0.2 0.910 115.9 42.0 -55.7 -47.5 15.7 36.9 5.1 158 163 A E H >< S+ 0 0 130 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.908 117.4 44.7 -70.0 -42.6 17.2 35.8 1.8 159 164 A N H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.671 119.4 41.6 -77.5 -16.8 14.5 33.3 0.8 160 165 A M T 3X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 3,-0.3 0.055 79.0 122.0-113.7 21.1 11.6 35.6 1.7 161 166 A S H <> S+ 0 0 50 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.864 71.3 52.6 -52.1 -44.2 13.4 38.7 0.2 162 167 A D H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 111.4 46.2 -62.8 -39.4 10.6 39.4 -2.2 163 168 A F H 4>S+ 0 0 3 -3,-0.3 5,-2.1 2,-0.2 6,-0.7 0.848 112.4 50.5 -71.4 -34.4 8.0 39.4 0.6 164 169 A L H ><5S+ 0 0 10 -4,-2.3 3,-0.8 -7,-0.2 120,-0.3 0.908 112.3 47.7 -68.2 -40.8 10.1 41.6 2.8 165 170 A E H 3<5S+ 0 0 162 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.837 107.5 55.0 -68.8 -33.8 10.6 44.1 -0.1 166 171 A S T 3<5S- 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.530 115.4-115.8 -77.5 -6.3 6.9 44.2 -0.9 167 172 A G T < 5S+ 0 0 30 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.685 76.2 129.7 81.1 19.3 6.2 45.1 2.7 168 173 A L < + 0 0 8 -5,-2.1 -87,-2.6 -6,-0.2 2,-0.5 0.947 61.6 62.3 -68.8 -49.3 4.2 42.0 3.6 169 174 A I E +d 81 0A 1 -6,-0.7 -87,-0.2 -89,-0.2 3,-0.1 -0.692 55.4 167.0 -85.4 124.4 6.2 41.2 6.8 170 175 A I E + 0 0 21 -89,-2.9 116,-1.9 -2,-0.5 2,-0.4 0.811 62.6 27.5-102.8 -42.4 5.9 43.9 9.4 171 176 A D E -de 82 286A 4 -90,-1.1 -88,-2.6 114,-0.2 2,-0.6 -0.960 56.9-154.0-128.9 144.0 7.4 42.4 12.6 172 177 A I E -de 83 287A 0 114,-2.7 116,-1.9 -2,-0.4 2,-0.5 -0.942 15.6-163.6-117.0 104.7 9.9 39.6 13.2 173 178 A Y E -de 84 288A 2 -90,-2.8 -88,-3.5 -2,-0.6 2,-0.7 -0.764 7.8-151.0 -87.0 128.3 9.3 38.0 16.5 174 179 A V E -d 85 0A 2 114,-2.4 116,-0.3 -2,-0.5 -88,-0.1 -0.889 12.6-132.8-107.8 113.2 12.3 36.0 17.7 175 180 A G + 0 0 1 -90,-2.1 6,-0.2 -2,-0.7 5,-0.1 -0.396 25.0 179.3 -59.3 133.4 11.4 33.1 19.9 176 181 A L - 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