==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 18-FEB-93 1BTC . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR B.MIKAMI,E.J.HEHRE,M.SATO,Y.KATSUBE,M.HIROSE,Y.MORITA, . 491 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 67.4 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 . 12 2.4 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 . 66 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 27.5 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 2 0 0 0 2 0 1 1 0 4 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 . 2 1 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 . 2 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 5 A S 0 0 119 0, 0.0 2,-0.2 0, 0.0 402,-0.1 0.000 360.0 360.0 360.0 138.9 -4.3 65.9 15.0 2 6 A N > - 0 0 99 398,-0.2 3,-1.3 1,-0.1 4,-0.3 -0.814 360.0-110.8 168.2 147.6 -6.9 63.2 14.2 3 7 A M G > S+ 0 0 44 1,-0.3 3,-1.5 -2,-0.2 4,-0.1 0.745 115.1 72.9 -64.3 -20.9 -8.7 60.4 15.9 4 8 A L G > S+ 0 0 28 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.823 81.7 66.7 -67.4 -28.2 -6.6 58.2 13.6 5 9 A L G < S+ 0 0 37 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.696 96.9 59.8 -62.5 -15.7 -3.4 59.1 15.7 6 10 A N G < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.514 79.3 123.6 -84.5 -8.9 -5.3 57.0 18.3 7 11 A Y < - 0 0 6 -3,-2.2 431,-0.2 431,-0.2 430,-0.1 -0.265 38.9-172.3 -64.9 130.8 -5.3 53.9 16.1 8 12 A V - 0 0 0 429,-1.6 403,-0.1 387,-0.0 402,-0.1 -0.996 26.1-123.8-120.8 122.6 -3.8 50.7 17.6 9 13 A P - 0 0 0 0, 0.0 403,-1.5 0, 0.0 2,-0.4 -0.307 15.9-144.5 -70.9 148.3 -3.6 47.8 15.1 10 14 A V E -a 412 0A 0 32,-0.2 34,-1.5 401,-0.2 35,-1.1 -0.960 16.1-176.3-115.9 131.3 -5.2 44.4 15.6 11 15 A Y E -ab 413 45A 10 401,-2.4 403,-3.0 -2,-0.4 2,-0.4 -0.818 13.7-142.6-120.9 158.3 -3.6 41.1 14.4 12 16 A V E -ab 414 46A 0 33,-1.4 35,-1.8 -2,-0.3 2,-0.2 -0.982 15.5-125.6-130.1 129.2 -4.9 37.6 14.5 13 17 A M E - b 0 47A 10 401,-2.5 404,-1.6 -2,-0.4 35,-0.2 -0.497 28.9-127.6 -71.2 137.0 -2.9 34.4 15.2 14 18 A L - 0 0 4 33,-2.2 402,-0.1 -2,-0.2 35,-0.1 -0.438 40.0 -75.0 -74.7 156.1 -3.4 31.8 12.5 15 19 A P > - 0 0 39 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 -0.179 55.4-101.7 -47.9 139.2 -4.4 28.1 13.4 16 20 A L T 3 S+ 0 0 47 1,-0.3 4,-0.0 2,-0.1 32,-0.0 -0.400 108.2 18.9 -59.0 143.0 -1.6 26.0 14.9 17 21 A G T 3 S+ 0 0 15 2,-0.1 -1,-0.3 -3,-0.1 4,-0.0 0.673 70.8 152.4 66.5 18.8 -0.2 23.7 12.3 18 22 A V S < S+ 0 0 20 -3,-1.4 8,-0.5 1,-0.1 2,-0.5 0.845 86.2 31.0 -52.2 -37.6 -1.5 25.7 9.2 19 23 A V S S- 0 0 0 6,-0.2 6,-0.2 7,-0.1 -1,-0.1 -0.979 106.1-138.8-111.4 139.2 1.5 24.2 7.5 20 24 A N > - 0 0 25 4,-2.2 3,-2.6 -2,-0.5 4,-0.4 -0.300 24.7 -85.0 -93.5-176.0 2.2 20.8 9.1 21 25 A V T 3 S+ 0 0 54 1,-0.3 -1,-0.1 2,-0.2 78,-0.0 0.615 125.8 57.6 -61.1 -25.4 5.1 18.7 10.3 22 26 A D T 3 S- 0 0 133 2,-0.2 -1,-0.3 0, 0.0 32,-0.0 0.303 119.5-111.1 -87.7 7.5 5.6 17.3 6.9 23 27 A N S < S+ 0 0 21 -3,-2.6 2,-0.4 1,-0.2 44,-0.3 0.894 72.8 137.1 59.3 45.9 6.1 20.9 5.6 24 28 A V - 0 0 75 -4,-0.4 -4,-2.2 43,-0.1 2,-1.4 -0.983 56.3-138.8-120.9 128.8 2.8 20.9 3.6 25 29 A F - 0 0 22 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.672 30.9-165.8 -85.8 92.0 0.4 23.9 3.5 26 30 A E + 0 0 140 -2,-1.4 -1,-0.2 -8,-0.5 3,-0.1 0.658 61.9 16.8 -54.8 -37.3 -2.7 21.6 3.8 27 31 A D > + 0 0 83 -9,-0.4 4,-2.1 1,-0.1 -1,-0.2 -0.517 51.8 165.5-150.5 78.4 -5.7 23.7 3.0 28 32 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.854 82.7 56.2 -56.9 -34.0 -5.2 27.0 1.2 29 33 A D H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.901 108.2 44.0 -71.7 -40.9 -8.9 27.1 0.3 30 34 A G H > S+ 0 0 15 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.944 116.0 46.8 -69.4 -49.6 -10.2 26.9 3.8 31 35 A L H X S+ 0 0 6 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.922 108.2 59.4 -55.4 -45.4 -7.6 29.4 5.2 32 36 A K H X S+ 0 0 92 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.883 104.0 48.1 -51.7 -50.1 -8.5 31.6 2.3 33 37 A E H X S+ 0 0 137 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.878 114.8 46.7 -57.7 -39.5 -12.1 31.8 3.3 34 38 A Q H X S+ 0 0 34 -4,-1.6 4,-1.6 -3,-0.2 -2,-0.2 0.899 110.0 51.6 -69.7 -40.2 -11.2 32.6 6.8 35 39 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.815 108.4 51.8 -67.5 -34.9 -8.6 35.2 5.9 36 40 A L H X S+ 0 0 81 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.804 106.8 54.0 -71.9 -31.8 -11.1 37.0 3.7 37 41 A Q H X S+ 0 0 90 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.861 109.9 48.1 -60.2 -44.6 -13.6 37.1 6.7 38 42 A L H X>S+ 0 0 0 -4,-1.6 5,-1.9 2,-0.2 4,-0.6 0.896 109.2 52.2 -65.9 -43.1 -10.8 38.7 8.7 39 43 A R H ><5S+ 0 0 49 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.863 108.6 51.1 -62.1 -37.8 -10.0 41.3 6.0 40 44 A A H 3<5S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 105.0 57.6 -70.0 -30.8 -13.8 42.3 5.9 41 45 A A H 3<5S- 0 0 16 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.579 121.1-104.7 -74.2 -17.4 -13.8 42.7 9.7 42 46 A G T <<5 + 0 0 9 -3,-0.7 2,-0.2 -4,-0.6 -32,-0.2 0.587 61.3 160.9 104.3 12.6 -11.0 45.3 9.5 43 47 A V < - 0 0 0 -5,-1.9 -1,-0.3 1,-0.1 -32,-0.1 -0.457 31.4-151.4 -71.2 132.3 -8.1 43.2 10.8 44 48 A D - 0 0 5 -34,-1.5 37,-1.7 -2,-0.2 2,-0.3 0.808 61.0 -36.1 -77.3 -30.8 -4.8 44.7 10.0 45 49 A G E -bc 11 81A 0 -35,-1.1 -33,-1.4 35,-0.3 2,-0.3 -0.952 52.8-109.2-173.2-173.2 -2.8 41.5 9.8 46 50 A V E -bc 12 82A 0 35,-2.2 37,-2.5 -35,-0.3 2,-0.4 -0.875 15.9-136.7-137.5 166.2 -2.0 38.0 11.1 47 51 A M E -bc 13 83A 2 -35,-1.8 -33,-2.2 -2,-0.3 2,-0.4 -0.986 21.2-179.9-128.4 135.7 0.7 36.2 13.1 48 52 A V E - c 0 84A 6 35,-2.0 37,-2.1 -2,-0.4 2,-0.3 -0.999 27.9-121.8-140.3 142.0 2.2 32.8 12.3 49 53 A D E - c 0 85A 24 -2,-0.4 2,-0.9 35,-0.2 37,-0.1 -0.637 15.2-154.7 -71.4 128.4 4.9 30.5 13.8 50 54 A V E - c 0 86A 0 35,-2.4 37,-1.0 -2,-0.3 2,-0.3 -0.822 26.4-143.2-108.4 90.6 7.7 29.7 11.4 51 55 A W E >> - c 0 87A 9 -2,-0.9 4,-1.8 1,-0.2 3,-1.2 -0.382 15.5-154.1 -65.2 117.3 8.7 26.4 13.1 52 56 A W H 3> S+ 0 0 0 35,-2.5 4,-2.6 -2,-0.3 -1,-0.2 0.847 95.0 60.3 -54.0 -35.9 12.4 25.6 13.1 53 57 A G H 34 S+ 0 0 5 34,-0.4 52,-0.3 36,-0.3 -1,-0.2 0.624 107.1 42.2 -72.3 -22.1 11.4 21.9 13.3 54 58 A I H X4 S+ 0 0 4 -3,-1.2 3,-1.0 47,-0.1 4,-0.2 0.875 120.1 41.7 -83.2 -51.2 9.5 21.8 10.1 55 59 A I H 3< S+ 0 0 2 -4,-1.8 9,-1.2 1,-0.3 3,-0.2 0.869 123.2 32.2 -72.4 -40.2 12.0 23.9 8.0 56 60 A E T 3< S+ 0 0 0 -4,-2.6 3,-0.4 -5,-0.2 -1,-0.3 -0.044 85.6 120.8-107.4 34.1 15.4 22.6 9.2 57 61 A L < + 0 0 67 -3,-1.0 49,-0.7 1,-0.2 48,-0.2 0.921 63.4 54.3 -62.5 -52.7 14.2 19.0 9.7 58 62 A K S S- 0 0 181 4,-0.4 -1,-0.2 -4,-0.2 5,-0.1 0.657 119.3 -54.7 -61.2 -23.9 16.3 17.0 7.4 59 63 A G S > S- 0 0 7 -3,-0.4 3,-2.4 3,-0.3 -1,-0.2 -0.904 82.0 -29.6 163.1 171.3 19.8 18.1 8.6 60 64 A P T 3 S- 0 0 51 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.265 127.7 -6.6 -53.6 122.6 22.1 21.1 9.3 61 65 A K T 3 S+ 0 0 115 1,-0.2 2,-1.1 -5,-0.1 -5,-0.1 0.670 92.5 136.2 54.8 27.6 21.3 23.9 7.0 62 66 A Q < + 0 0 115 -3,-2.4 2,-0.4 -6,-0.2 -4,-0.4 -0.745 33.7 174.2 -94.7 79.9 18.8 21.8 5.0 63 67 A Y - 0 0 51 -2,-1.1 2,-0.5 -7,-0.1 -7,-0.2 -0.768 23.2-172.0 -97.1 140.4 16.1 24.4 4.8 64 68 A D + 0 0 42 -9,-1.2 4,-0.2 -2,-0.4 3,-0.1 -0.940 11.1 168.7-128.3 110.1 12.8 24.1 2.8 65 69 A W > + 0 0 13 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 0.414 47.2 104.4 -99.7 -0.4 10.9 27.4 2.7 66 70 A R H > S+ 0 0 177 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.899 78.4 45.0 -58.2 -56.2 8.4 26.3 0.0 67 71 A A H > S+ 0 0 9 -44,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.906 115.5 49.3 -59.0 -39.8 5.2 25.6 2.1 68 72 A Y H > S+ 0 0 2 -4,-0.2 4,-2.7 2,-0.2 5,-0.3 0.905 106.1 57.0 -63.6 -37.1 5.7 28.9 4.1 69 73 A R H X S+ 0 0 77 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.944 107.6 48.6 -54.5 -46.2 6.3 30.9 0.7 70 74 A S H X S+ 0 0 66 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.848 111.3 49.9 -60.5 -37.0 2.8 29.6 -0.4 71 75 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.915 111.8 46.3 -70.2 -45.0 1.3 30.7 2.9 72 76 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.837 110.3 57.3 -66.8 -29.2 2.8 34.2 2.8 73 77 A Q H X S+ 0 0 83 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.945 108.5 44.1 -63.1 -47.6 1.6 34.4 -0.9 74 78 A L H X S+ 0 0 14 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.835 111.3 53.4 -65.9 -38.2 -2.0 33.7 0.1 75 79 A V H <>S+ 0 0 0 -4,-1.9 5,-1.7 2,-0.2 -1,-0.2 0.928 109.3 49.5 -62.8 -44.5 -1.9 36.2 3.0 76 80 A Q H ><5S+ 0 0 72 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.919 108.7 52.2 -62.3 -45.4 -0.6 38.9 0.7 77 81 A E H 3<5S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.865 105.0 56.9 -58.0 -34.6 -3.4 38.2 -1.8 78 82 A C T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.418 117.1-113.9 -78.8 3.0 -5.9 38.5 1.1 79 83 A G T < 5S+ 0 0 37 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.801 72.0 128.8 73.6 33.1 -4.7 42.1 1.8 80 84 A L < - 0 0 6 -5,-1.7 -35,-0.3 -35,-0.0 -1,-0.2 -0.870 51.5-131.9-117.8 150.2 -3.2 41.4 5.3 81 85 A T E -c 45 0A 33 -37,-1.7 -35,-2.2 -2,-0.3 2,-0.4 -0.423 26.1-132.5 -89.8 175.9 0.2 42.1 6.8 82 86 A L E -cd 46 170A 0 87,-2.5 89,-2.3 -37,-0.2 90,-1.0 -0.971 15.5-156.8-138.5 140.7 2.2 39.5 8.8 83 87 A Q E -cd 47 172A 4 -37,-2.5 -35,-2.0 -2,-0.4 2,-0.4 -0.964 25.7-153.7-105.6 117.7 4.1 39.1 12.0 84 88 A A E -cd 48 173A 0 88,-2.7 90,-3.1 -2,-0.6 2,-0.5 -0.808 2.3-154.9 -99.2 131.1 6.6 36.2 11.6 85 89 A I E -cd 49 174A 5 -37,-2.1 -35,-2.4 -2,-0.4 2,-1.6 -0.921 12.5-142.8-103.0 124.8 7.7 34.3 14.7 86 90 A M E -cd 50 175A 0 88,-2.6 90,-1.7 -2,-0.5 2,-1.2 -0.679 28.7-163.3 -82.6 87.3 11.2 32.6 14.5 87 91 A S E +c 51 0A 0 -2,-1.6 -35,-2.5 -37,-1.0 -34,-0.4 -0.623 25.7 167.4 -84.7 92.0 9.9 29.6 16.5 88 92 A F + 0 0 0 -2,-1.2 43,-0.4 -37,-0.2 2,-0.2 0.066 56.0 79.2 -90.7 29.3 12.9 27.6 17.8 89 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 2,-0.3 -0.737 83.8 -86.3-130.4 173.5 10.7 25.6 20.2 90 94 A Q - 0 0 41 39,-1.8 2,-0.6 -2,-0.2 90,-0.4 -0.608 27.2-145.2 -88.9 136.9 8.3 22.7 20.4 91 95 A C E -J 101 0B 14 10,-2.6 10,-2.8 -2,-0.3 -1,-0.0 -0.932 59.6 -43.6 -97.4 121.4 4.7 23.0 19.7 92 96 A G E +J 100 0B 22 -2,-0.6 8,-0.2 8,-0.2 3,-0.1 -0.182 55.4 156.9 66.5-147.0 2.5 20.7 21.8 93 97 A G + 0 0 40 6,-0.8 3,-0.1 1,-0.4 -1,-0.1 0.107 46.5 101.1 108.1 -23.6 3.3 17.0 22.6 94 98 A N S > S- 0 0 60 1,-0.2 3,-2.0 2,-0.1 -1,-0.4 -0.384 86.0 -38.3 -89.4 175.8 1.3 16.3 25.8 95 99 A V T 3 S- 0 0 150 1,-0.3 -1,-0.2 -2,-0.1 -3,-0.0 0.093 125.0 -7.3 -39.8 124.8 -2.1 14.6 26.3 96 100 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.673 86.2 170.5 58.4 25.9 -4.6 15.3 23.6 97 101 A D < - 0 0 63 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.0 -0.525 32.6-143.3 -71.2 128.4 -2.5 17.9 21.9 98 102 A I S S+ 0 0 144 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.901 83.2 17.3 -52.0 -47.2 -3.9 19.0 18.6 99 103 A V - 0 0 22 2,-0.0 -6,-0.8 -79,-0.0 2,-0.4 -0.876 61.8-164.2-130.2 147.0 -0.5 19.5 17.0 100 104 A N E +J 92 0B 77 -2,-0.3 -8,-0.2 -8,-0.2 -79,-0.1 -0.899 16.1 165.8-134.1 111.7 2.9 18.2 17.9 101 105 A I E -J 91 0B 1 -10,-2.8 -10,-2.6 -2,-0.4 -48,-0.1 -0.918 15.1-169.2-122.3 106.5 5.9 19.8 16.3 102 106 A P - 0 0 38 0, 0.0 -49,-0.2 0, 0.0 3,-0.1 -0.113 32.8 -90.4 -77.2-177.8 9.3 19.1 17.9 103 107 A I S S- 0 0 4 25,-0.3 5,-0.1 1,-0.2 -15,-0.1 -0.423 76.3 -47.1 -81.5 169.3 12.6 20.8 17.2 104 108 A P >> - 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.082 47.1-137.2 -41.8 124.8 14.8 19.2 14.4 105 109 A Q H 3> S+ 0 0 96 -52,-0.3 4,-2.3 1,-0.2 5,-0.1 0.840 105.3 61.0 -52.5 -34.3 15.2 15.5 14.8 106 110 A W H 3> S+ 0 0 20 -49,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.830 106.6 44.9 -66.0 -31.9 18.9 15.9 14.0 107 111 A V H X> S+ 0 0 0 -3,-0.9 4,-1.8 2,-0.2 3,-0.8 0.926 110.1 55.9 -74.0 -42.4 19.2 18.1 17.1 108 112 A L H 3X S+ 0 0 24 -4,-2.3 4,-0.6 1,-0.3 -2,-0.2 0.872 102.7 56.0 -56.5 -34.4 17.1 15.5 19.1 109 113 A D H 3X S+ 0 0 88 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.854 104.5 51.9 -68.3 -32.7 19.6 12.8 18.1 110 114 A I H XX S+ 0 0 24 -4,-0.8 3,-1.4 -3,-0.8 4,-1.0 0.913 105.7 56.0 -67.6 -40.4 22.5 14.9 19.6 111 115 A G H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.577 93.2 69.7 -67.5 -14.4 20.4 15.1 22.8 112 116 A E H 3< S+ 0 0 115 -4,-0.6 -1,-0.3 -3,-0.5 3,-0.2 0.801 112.7 29.2 -70.1 -31.8 20.3 11.3 22.9 113 117 A S H << S+ 0 0 107 -3,-1.4 2,-0.2 -4,-0.6 -2,-0.2 0.467 131.5 36.4-104.7 -5.5 24.0 11.4 23.7 114 118 A N >< + 0 0 27 -4,-1.0 3,-1.1 -5,-0.1 -1,-0.3 -0.706 61.7 174.2-146.9 88.5 24.2 14.7 25.5 115 119 A H G > + 0 0 79 1,-0.2 3,-1.3 -2,-0.2 -4,-0.1 0.588 68.3 81.6 -69.2 -16.0 21.0 15.1 27.5 116 120 A D G 3 + 0 0 32 1,-0.2 92,-0.4 90,-0.1 -1,-0.2 0.384 69.7 79.8 -76.9 4.7 22.5 18.3 29.1 117 121 A I G < S+ 0 0 0 -3,-1.1 15,-2.0 -6,-0.1 2,-0.3 0.555 87.3 71.4 -81.2 -7.3 21.5 20.3 26.0 118 122 A F E < S-K 131 0C 0 -3,-1.3 10,-0.2 13,-0.2 13,-0.2 -0.732 99.5 -91.3-104.4 154.9 17.9 20.5 27.4 119 123 A Y E -K 127 0C 1 8,-0.8 8,-2.7 11,-0.8 2,-0.4 -0.382 47.5-162.0 -61.4 137.2 16.5 22.4 30.4 120 124 A T E -K 126 0C 4 83,-0.4 85,-2.5 6,-0.2 86,-0.4 -0.979 10.9-152.0-131.0 131.0 16.7 20.2 33.6 121 125 A N > - 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0 0 0 -15,-2.0 3,-2.0 -2,-0.4 4,-0.2 -0.160 18.1-122.6 -51.7 143.1 19.2 25.4 27.3 133 137 A V G > S+ 0 0 15 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.721 108.1 78.5 -59.8 -18.3 20.9 28.8 27.4 134 138 A G G 3 S+ 0 0 18 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.829 95.0 43.8 -61.1 -33.0 23.8 26.7 28.7 135 139 A V G X S+ 0 0 0 -3,-2.0 3,-1.6 -18,-0.2 11,-1.4 0.389 79.0 110.7 -97.0 12.4 24.6 25.5 25.2 136 140 A D T < S+ 0 0 3 -3,-1.2 11,-2.0 1,-0.3 12,-0.3 0.825 93.8 23.1 -50.6 -38.4 24.2 28.9 23.5 137 141 A N T 3 S+ 0 0 94 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.079 94.6 113.9-121.2 25.9 27.9 29.2 22.8 138 142 A E < - 0 0 77 -3,-1.6 2,-1.5 6,-0.1 8,-0.4 -0.867 61.2-142.4 -95.9 122.6 28.9 25.5 22.9 139 143 A P > + 0 0 83 0, 0.0 4,-0.5 0, 0.0 6,-0.2 -0.224 65.2 115.6 -82.9 50.6 30.1 24.3 19.4 140 144 A I T 4 + 0 0 54 -2,-1.5 2,-0.7 -5,-0.2 5,-0.2 0.263 42.3 87.2-107.2 10.2 28.5 20.8 19.7 141 145 A F B >4 S-L 144 0D 0 3,-2.5 3,-1.5 -3,-0.2 -1,-0.1 -0.717 127.0 -53.7-114.7 78.5 25.8 20.7 17.0 142 146 A H T 34 S- 0 0 132 -2,-0.7 -2,-0.1 1,-0.3 3,-0.1 0.887 115.9 -40.0 52.2 47.5 27.9 19.5 14.1 143 147 A G T 3< S+ 0 0 57 -4,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.276 120.5 107.8 90.5 -12.7 30.4 22.2 14.7 144 148 A R B < -L 141 0D 20 -3,-1.5 -3,-2.5 -5,-0.0 -1,-0.3 -0.776 63.3-132.6-102.3 153.1 27.8 24.9 15.3 145 149 A T > - 0 0 13 -2,-0.3 4,-1.4 -6,-0.2 -9,-0.2 -0.504 33.6-110.0 -81.3 154.2 26.8 26.7 18.6 146 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.0 -8,-0.4 5,-0.2 0.910 120.5 53.4 -61.1 -36.5 23.0 27.0 19.3 147 151 A I H > S+ 0 0 9 -11,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.869 107.0 51.2 -64.5 -35.1 23.1 30.8 18.6 148 152 A E H > S+ 0 0 93 -12,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.792 107.8 53.4 -66.4 -32.5 24.8 30.2 15.2 149 153 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.2 -2,-0.2 0.943 113.6 42.4 -65.1 -43.8 21.9 27.7 14.4 150 154 A Y H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.893 114.5 51.5 -71.5 -34.6 19.4 30.4 15.3 151 155 A S H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.931 109.7 48.2 -68.4 -41.9 21.4 33.0 13.4 152 156 A D H X S+ 0 0 39 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.884 108.2 54.9 -65.9 -39.9 21.7 30.9 10.2 153 157 A Y H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.931 110.0 46.8 -59.9 -45.3 17.9 30.2 10.3 154 158 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.861 111.3 50.6 -68.1 -33.6 17.2 33.9 10.4 155 159 A K H X S+ 0 0 83 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.887 112.1 47.1 -69.4 -40.1 19.7 34.7 7.6 156 160 A S H X S+ 0 0 12 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.915 110.0 54.0 -66.8 -39.1 18.2 32.0 5.3 157 161 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.957 109.6 48.2 -59.0 -50.8 14.7 33.3 6.2 158 162 A R H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.883 115.3 43.9 -57.0 -41.3 15.8 36.8 5.1 159 163 A E H >< S+ 0 0 125 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.946 117.8 41.9 -73.4 -44.0 17.3 35.6 1.8 160 164 A N H 3< S+ 0 0 73 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.649 122.7 38.8 -80.1 -13.3 14.5 33.2 0.7 161 165 A M T >X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 3,-0.9 0.123 78.9 118.7-114.5 17.2 11.6 35.6 1.8 162 166 A S H <> S+ 0 0 42 -3,-0.8 4,-2.9 1,-0.3 5,-0.2 0.785 71.3 56.3 -63.9 -29.1 13.3 38.8 0.6 163 167 A D H 3> S+ 0 0 72 2,-0.2 4,-1.9 -4,-0.2 -1,-0.3 0.852 109.9 45.4 -67.0 -33.9 10.5 39.6 -2.0 164 168 A F H <4>S+ 0 0 3 -3,-0.9 5,-2.1 2,-0.2 6,-0.7 0.884 116.1 47.7 -73.3 -32.9 7.9 39.4 0.9 165 169 A L H ><5S+ 0 0 7 -4,-2.1 3,-1.3 2,-0.2 120,-0.3 0.940 113.5 46.0 -67.7 -43.8 10.2 41.6 3.0 166 170 A E H 3<5S+ 0 0 158 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.844 110.2 55.4 -69.3 -31.9 10.8 44.1 0.2 167 171 A S T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.372 113.4-117.1 -83.2 4.7 7.1 44.2 -0.6 168 172 A G T < 5S+ 0 0 36 -3,-1.3 -3,-0.2 -4,-0.1 -86,-0.1 0.714 75.0 128.8 72.3 21.6 6.2 45.2 3.0 169 173 A L < + 0 0 8 -5,-2.1 -87,-2.5 -6,-0.2 2,-0.7 0.955 60.1 68.7 -71.2 -44.8 4.1 42.0 3.9 170 174 A I E +d 82 0A 1 -6,-0.7 -87,-0.2 -89,-0.2 -1,-0.1 -0.616 55.0 177.3 -91.2 110.9 6.1 41.4 7.1 171 175 A I E + 0 0 25 -89,-2.3 116,-1.5 -2,-0.7 2,-0.3 0.885 66.8 0.2 -77.0 -46.2 5.5 44.0 9.7 172 176 A D E -de 83 287A 5 -90,-1.0 -88,-2.7 114,-0.2 2,-0.6 -0.987 53.3-137.0-150.5 159.2 7.7 42.4 12.5 173 177 A I E -de 84 288A 0 114,-2.3 116,-1.8 -2,-0.3 2,-0.6 -0.965 19.5-161.1-109.0 106.8 9.9 39.5 13.2 174 178 A E E -de 85 289A 2 -90,-3.1 -88,-2.6 -2,-0.6 2,-0.7 -0.798 13.6-147.4 -84.2 117.6 9.3 38.1 16.7 175 179 A V E -d 86 0A 2 114,-2.7 116,-0.4 -2,-0.6 2,-0.1 -0.776 11.9-129.9-101.7 120.4 12.3 36.0 17.7 176 180 A G + 0 0 0 -90,-1.7 6,-0.2 -2,-0.7 4,-0.1 -0.419 29.4 174.2 -60.3 131.2 11.6 33.0 19.9 177 181 A L - 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0 0 76 1,-0.1 3,-1.7 7,-0.0 4,-0.5 -0.857 64.6-162.9-103.4 107.0 -1.5 52.7 5.2 447 451 A P G > >S+ 0 0 39 0, 0.0 5,-2.1 0, 0.0 3,-1.0 0.750 84.6 68.7 -58.9 -29.9 0.3 52.6 8.6 448 452 A Q G > 5S+ 0 0 132 4,-0.3 3,-1.7 1,-0.3 5,-0.2 0.809 88.4 65.9 -63.3 -30.8 2.0 55.9 8.1 449 453 A K G < 5S+ 0 0 125 -3,-1.7 -1,-0.3 1,-0.3 -445,-0.0 0.864 109.7 37.9 -60.6 -33.7 -1.4 57.6 8.4 450 454 A Y G < 5S- 0 0 10 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 -0.027 123.6-101.3-109.4 36.5 -1.5 56.5 11.9 451 455 A N T < 5S+ 0 0 130 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.756 90.3 115.8 55.7 35.3 2.3 57.0 12.7 452 456 A H < + 0 0 26 -5,-2.1 -4,-0.3 -6,-0.1 -1,-0.1 -0.119 36.0 153.6-114.2 30.8 3.3 53.4 12.4 453 457 A A - 0 0 43 -6,-0.3 2,-0.6 -5,-0.2 -7,-0.0 -0.370 37.3-135.3 -68.0 140.9 5.6 53.8 9.4 454 458 A I - 0 0 35 -169,-0.1 -169,-0.1 -167,-0.0 -1,-0.1 -0.910 19.3-167.0-109.5 129.5 8.4 51.2 9.2 455 459 A T - 0 0 77 -2,-0.6 -169,-0.4 1,-0.1 2,-0.2 -0.570 39.0 -77.0 -97.3 158.3 11.8 52.1 8.4 456 460 A P - 0 0 43 0, 0.0 -171,-0.3 0, 0.0 2,-0.2 -0.486 61.7 -99.9 -57.9 129.4 14.7 50.0 7.5 457 461 A L - 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