==== 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 1Q6C . 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) . 18694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 67.6 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 . 131 26.7 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 1 1 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 0 137 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 138.4 -7.2 63.6 14.0 2 7 A M G > + 0 0 43 1,-0.3 3,-2.8 2,-0.2 4,-0.3 0.747 360.0 80.1 -57.5 -26.9 -8.7 60.5 15.7 3 8 A L G > S+ 0 0 34 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.727 79.8 68.7 -55.9 -21.3 -6.6 58.3 13.4 4 9 A L G < S+ 0 0 58 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.565 92.9 57.9 -75.6 -8.0 -3.6 59.0 15.7 5 10 A N G < S+ 0 0 1 -3,-2.8 -1,-0.2 398,-0.2 -2,-0.2 0.425 80.8 127.1 -97.9 -2.7 -5.3 57.0 18.4 6 11 A Y < - 0 0 6 -3,-1.2 431,-0.2 -4,-0.3 430,-0.1 -0.330 40.3-168.8 -61.5 126.9 -5.4 54.0 16.1 7 12 A V - 0 0 0 429,-1.9 403,-0.1 -2,-0.1 402,-0.1 -0.971 24.0-123.9-119.8 115.6 -4.0 50.7 17.5 8 13 A P - 0 0 0 0, 0.0 403,-1.9 0, 0.0 2,-0.4 -0.215 19.4-146.5 -60.3 148.3 -3.5 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 -0.970 15.1-174.8-119.9 129.3 -5.1 44.5 15.6 10 15 A Y E -ab 412 44A 7 401,-2.8 403,-3.8 -2,-0.4 2,-0.4 -0.836 12.1-146.6-119.4 158.0 -3.6 41.2 14.5 11 16 A V E -ab 413 45A 0 33,-1.5 35,-2.0 -2,-0.3 403,-0.2 -0.990 17.7-124.7-128.5 131.0 -4.9 37.7 14.6 12 17 A M E - b 0 46A 8 401,-2.9 404,-2.0 -2,-0.4 403,-0.3 -0.479 26.7-128.1 -71.3 141.2 -2.9 34.5 15.2 13 18 A L - 0 0 3 33,-2.9 35,-0.1 -2,-0.2 3,-0.1 -0.400 41.3 -77.7 -81.9 165.9 -3.3 31.9 12.5 14 19 A P > - 0 0 39 0, 0.0 3,-1.2 0, 0.0 2,-0.2 -0.291 50.9-104.6 -63.2 149.5 -4.1 28.3 13.6 15 20 A L T 3 S+ 0 0 22 1,-0.3 4,-0.1 2,-0.1 32,-0.0 -0.555 108.4 25.3 -72.0 139.7 -1.3 26.2 14.9 16 21 A G T 3 + 0 0 13 -2,-0.2 -1,-0.3 2,-0.2 9,-0.2 0.712 69.2 147.1 79.8 18.8 -0.2 23.7 12.3 17 22 A V S < S+ 0 0 19 -3,-1.2 2,-0.5 1,-0.2 8,-0.4 0.836 83.8 35.9 -56.4 -31.0 -1.4 25.8 9.3 18 23 A V S S- 0 0 0 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.996 105.5-129.5-118.5 120.4 1.6 24.2 7.6 19 24 A N > - 0 0 24 4,-2.4 3,-2.4 -2,-0.5 4,-0.4 -0.074 24.0 -95.7 -71.0 173.1 2.0 20.6 9.0 20 25 A V T 3 S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.2 80,-0.0 0.642 124.4 61.1 -60.7 -16.7 5.0 18.8 10.4 21 26 A D T 3 S- 0 0 127 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.309 121.3-108.4 -93.1 8.4 5.6 17.4 7.0 22 27 A N S < S+ 0 0 21 -3,-2.4 2,-0.4 1,-0.2 44,-0.2 0.935 73.4 138.4 63.3 51.9 6.1 20.9 5.6 23 28 A V - 0 0 73 -4,-0.4 -4,-2.4 43,-0.1 2,-2.0 -0.994 57.6-135.1-129.6 126.7 2.8 21.0 3.7 24 29 A F - 0 0 24 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.618 34.5-168.0 -79.8 83.6 0.4 24.0 3.5 25 30 A E + 0 0 127 -2,-2.0 -1,-0.2 -8,-0.4 -7,-0.1 0.862 62.2 17.5 -40.7 -70.0 -2.6 21.7 4.1 26 31 A D > + 0 0 92 -9,-0.4 4,-2.4 1,-0.2 -1,-0.2 -0.660 57.8 161.0-120.4 80.5 -5.7 23.7 3.3 27 32 A P H > S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.921 81.7 50.3 -59.1 -47.6 -5.1 26.9 1.3 28 33 A D H > S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.900 111.1 49.2 -59.8 -43.3 -8.8 27.2 0.2 29 34 A G H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.952 113.5 44.9 -62.2 -49.7 -10.0 26.8 3.8 30 35 A L H X S+ 0 0 8 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.900 107.6 60.6 -61.3 -41.1 -7.6 29.4 5.2 31 36 A K H X S+ 0 0 99 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.914 103.1 49.2 -53.0 -49.4 -8.4 31.8 2.3 32 37 A E H X S+ 0 0 123 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.912 114.5 46.2 -58.0 -43.7 -12.1 32.0 3.2 33 38 A Q H X S+ 0 0 26 -4,-1.5 4,-1.8 1,-0.2 3,-0.4 0.941 111.5 51.2 -65.1 -46.6 -11.2 32.7 6.8 34 39 A L H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.896 107.2 53.1 -57.6 -42.4 -8.6 35.2 5.8 35 40 A L H X S+ 0 0 86 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.842 105.7 55.5 -63.0 -31.9 -11.1 37.1 3.6 36 41 A Q H X S+ 0 0 91 -4,-1.4 4,-1.0 -3,-0.4 -1,-0.2 0.912 108.6 47.1 -64.5 -45.0 -13.4 37.2 6.7 37 42 A L H <>S+ 0 0 0 -4,-1.8 5,-1.8 2,-0.2 4,-0.5 0.905 108.8 54.5 -63.1 -44.4 -10.7 38.9 8.7 38 43 A R H ><5S+ 0 0 47 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.927 108.5 48.6 -56.3 -47.8 -10.0 41.4 5.9 39 44 A A H 3<5S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.749 106.4 58.8 -66.0 -23.6 -13.6 42.5 5.7 40 45 A A T 3<5S- 0 0 16 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.521 119.0-107.6 -84.0 -6.8 -13.7 42.9 9.5 41 46 A G T < 5 + 0 0 9 -3,-1.4 -32,-0.2 -4,-0.5 402,-0.2 0.474 60.3 160.2 95.8 2.2 -10.9 45.4 9.5 42 47 A V < - 0 0 0 -5,-1.8 -1,-0.3 1,-0.1 -32,-0.1 -0.351 33.2-148.4 -59.5 133.2 -8.1 43.3 10.9 43 48 A D - 0 0 5 -34,-1.7 37,-1.7 1,-0.2 2,-0.3 0.881 61.6 -38.0 -74.5 -38.9 -4.7 44.8 10.0 44 49 A G E -bc 10 80A 0 -35,-1.2 -33,-1.5 35,-0.3 2,-0.3 -0.928 54.7-106.5-166.5-171.3 -2.7 41.5 9.8 45 50 A V E -bc 11 81A 0 35,-2.3 37,-2.4 -2,-0.3 2,-0.4 -0.863 18.0-134.0-131.9 166.1 -2.0 38.0 11.1 46 51 A M E -bc 12 82A 1 -35,-2.0 -33,-2.9 -2,-0.3 2,-0.3 -0.961 23.2-178.8-123.6 139.4 0.7 36.2 13.2 47 52 A V E - c 0 83A 5 35,-2.2 37,-2.8 -2,-0.4 2,-0.4 -0.996 27.7-122.5-143.7 145.8 2.2 32.9 12.4 48 53 A D E - c 0 84A 20 -2,-0.3 2,-0.9 35,-0.2 37,-0.1 -0.687 14.8-157.3 -81.5 130.9 4.8 30.5 13.8 49 54 A V E - c 0 85A 1 35,-2.5 37,-1.4 -2,-0.4 2,-0.3 -0.858 27.1-143.1-108.0 89.0 7.6 29.7 11.4 50 55 A W E >> - c 0 86A 7 -2,-0.9 4,-2.1 1,-0.2 3,-1.1 -0.393 17.5-158.7 -64.3 118.1 8.6 26.4 13.0 51 56 A W H 3> S+ 0 0 0 35,-2.9 4,-2.1 -2,-0.3 -1,-0.2 0.863 93.7 60.1 -60.5 -36.9 12.3 25.6 13.1 52 57 A G H 34 S+ 0 0 4 34,-0.4 52,-0.3 36,-0.3 -1,-0.3 0.700 109.5 41.8 -66.9 -20.4 11.4 21.9 13.6 53 58 A I H X4 S+ 0 0 4 -3,-1.1 3,-0.8 47,-0.1 4,-0.2 0.884 117.8 43.0 -90.5 -46.7 9.6 21.9 10.2 54 59 A I H 3< S+ 0 0 2 -4,-2.1 9,-1.0 1,-0.2 3,-0.2 0.852 121.4 34.0 -71.5 -41.7 12.0 23.9 8.1 55 60 A E T 3< S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 7,-0.2 -0.270 84.2 120.1-110.5 46.5 15.4 22.6 9.1 56 61 A L < + 0 0 73 -3,-0.8 49,-0.6 5,-0.2 -1,-0.2 0.939 62.7 58.4 -72.8 -53.0 14.2 19.0 9.7 57 62 A K S S- 0 0 177 4,-0.4 -1,-0.2 -4,-0.2 5,-0.1 0.846 120.4 -64.5 -49.1 -44.7 16.3 17.1 7.1 58 63 A G S > S- 0 0 7 3,-0.4 3,-2.5 46,-0.0 -1,-0.2 -0.970 80.7 -23.3 172.0 179.9 19.6 18.3 8.6 59 64 A P T 3 S- 0 0 51 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.243 129.6 -5.9 -52.2 124.9 21.9 21.2 9.4 60 65 A K T 3 S+ 0 0 123 1,-0.2 2,-1.2 -5,-0.1 -5,-0.0 0.678 93.2 135.3 61.1 20.8 21.2 24.1 7.0 61 66 A Q < + 0 0 110 -3,-2.5 -4,-0.4 -6,-0.1 -3,-0.4 -0.641 34.5 174.1 -96.2 74.4 18.7 21.8 5.1 62 67 A Y - 0 0 51 -2,-1.2 2,-0.4 -7,-0.2 -7,-0.2 -0.628 22.9-172.4 -89.4 142.7 16.0 24.5 4.8 63 68 A D + 0 0 43 -9,-1.0 4,-0.2 -2,-0.3 3,-0.2 -0.923 12.4 166.6-133.3 103.9 12.8 24.1 2.8 64 69 A W > + 0 0 12 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 0.345 45.6 104.8 -98.6 3.5 10.8 27.3 2.7 65 70 A R H > S+ 0 0 184 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.912 79.1 45.9 -53.5 -54.3 8.4 26.3 -0.1 66 71 A A H > S+ 0 0 10 1,-0.2 4,-1.8 -44,-0.2 -1,-0.2 0.899 114.4 49.4 -58.5 -41.6 5.3 25.7 2.0 67 72 A Y H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.814 105.7 56.7 -69.5 -28.6 5.8 29.0 3.9 68 73 A R H X S+ 0 0 79 -4,-2.0 4,-2.4 -3,-0.2 -1,-0.2 0.921 107.2 49.8 -66.7 -40.5 6.3 30.9 0.7 69 74 A S H X S+ 0 0 66 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.885 111.4 49.0 -63.6 -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 5,-0.2 0.965 111.9 46.8 -65.3 -52.4 1.3 30.8 2.9 71 76 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.881 109.5 56.3 -57.4 -37.8 2.9 34.2 2.8 72 77 A Q H X S+ 0 0 75 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.944 109.7 45.0 -58.8 -47.8 1.7 34.5 -0.9 73 78 A L H X S+ 0 0 13 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.891 110.4 53.5 -64.0 -41.3 -1.9 33.9 0.2 74 79 A V H <>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 -1,-0.2 0.915 110.3 48.9 -59.8 -42.0 -1.7 36.3 3.1 75 80 A Q H ><5S+ 0 0 69 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.897 107.7 52.8 -64.8 -42.7 -0.5 39.0 0.7 76 81 A E H 3<5S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.804 105.4 57.1 -64.4 -27.8 -3.3 38.3 -1.8 77 82 A C T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.403 115.8-115.1 -84.8 2.6 -5.8 38.7 1.1 78 83 A G T < 5S+ 0 0 39 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.824 70.7 127.8 70.3 34.5 -4.5 42.2 1.9 79 84 A L < - 0 0 6 -5,-1.7 -35,-0.3 -35,-0.0 -1,-0.2 -0.867 52.3-130.7-120.7 154.0 -3.1 41.5 5.4 80 85 A T E -c 44 0A 31 -37,-1.7 -35,-2.3 -2,-0.3 2,-0.4 -0.459 26.8-129.3 -92.7 174.5 0.3 42.2 6.9 81 86 A L E -cd 45 169A 0 87,-2.4 89,-2.5 -37,-0.2 90,-0.9 -0.982 16.7-159.9-137.5 139.9 2.2 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 -0.968 27.0-156.5-109.9 111.5 4.0 39.2 12.1 83 88 A A E -cd 47 172A 1 88,-1.9 90,-2.7 -2,-0.6 2,-0.5 -0.811 2.1-151.5 -97.1 127.7 6.4 36.3 11.6 84 89 A I E -cd 48 173A 5 -37,-2.8 -35,-2.5 -2,-0.5 2,-1.6 -0.849 11.5-142.5 -99.4 126.5 7.6 34.3 14.7 85 90 A M E -cd 49 174A 0 88,-3.1 90,-1.8 -2,-0.5 2,-1.2 -0.738 28.5-160.7 -83.4 92.1 11.0 32.7 14.5 86 91 A S E +c 50 0A 0 -2,-1.6 -35,-2.9 -37,-1.4 -34,-0.4 -0.659 28.5 163.0 -86.3 94.2 9.8 29.6 16.4 87 92 A F + 0 0 0 -2,-1.2 43,-0.4 -37,-0.2 2,-0.2 0.084 55.7 81.4 -94.3 21.4 12.8 27.8 17.8 88 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 2,-0.3 -0.728 82.5 -98.3-122.7 171.9 10.6 25.9 20.3 89 94 A Q - 0 0 47 39,-1.8 2,-0.5 -2,-0.2 90,-0.4 -0.627 24.9-140.9 -90.7 147.6 8.4 22.8 20.3 90 95 A C B S+J 100 0B 1 10,-2.1 10,-2.6 -2,-0.3 -40,-0.0 -0.923 74.1 56.7-106.7 132.1 4.6 22.9 20.0 91 96 A G S S+ 0 0 20 -2,-0.5 -1,-0.1 8,-0.2 8,-0.1 -0.058 82.2 68.7 146.3 -44.0 2.7 20.5 22.2 92 97 A G S S+ 0 0 14 -3,-0.1 98,-0.6 2,-0.1 97,-0.6 0.471 86.4 75.9 -89.7 0.5 3.4 20.8 25.9 93 98 A N S > S- 0 0 17 1,-0.1 3,-2.1 96,-0.1 -2,-0.1 -0.663 94.9 -69.9-110.7 166.2 1.8 24.1 26.6 94 99 A V T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.221 118.2 12.8 -54.5 132.1 -1.8 25.3 27.0 95 100 A G T 3 S+ 0 0 55 1,-0.2 2,-1.3 -4,-0.1 -1,-0.3 0.254 83.8 140.3 86.1 -12.6 -3.7 25.4 23.8 96 101 A D < + 0 0 38 -3,-2.1 -1,-0.2 1,-0.2 -6,-0.0 -0.487 17.2 167.4 -69.1 94.4 -1.2 23.3 21.9 97 102 A I + 0 0 151 -2,-1.3 2,-0.3 -3,-0.1 -1,-0.2 0.400 60.8 49.9 -89.2 2.7 -3.4 21.0 19.9 98 103 A V S S- 0 0 44 2,-0.0 2,-0.6 -3,-0.0 -82,-0.1 -0.985 77.8-125.6-140.6 149.9 -0.6 19.8 17.6 99 104 A N + 0 0 120 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.864 31.0 164.7-101.9 119.8 2.9 18.3 18.2 100 105 A I B -J 90 0B 1 -10,-2.6 -10,-2.1 -2,-0.6 -48,-0.2 -0.828 17.9-163.9-134.9 94.3 5.8 20.0 16.4 101 106 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.157 28.6 -98.1 -71.5 168.0 9.2 19.1 17.8 102 107 A I S S- 0 0 3 25,-0.4 5,-0.1 1,-0.2 -50,-0.1 -0.371 75.6 -47.7 -76.9 168.3 12.5 20.9 17.2 103 108 A P >> - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.035 49.0-135.0 -41.6 131.0 14.7 19.4 14.4 104 109 A Q H 3> S+ 0 0 92 -52,-0.3 4,-2.4 1,-0.3 5,-0.1 0.852 105.1 59.7 -58.2 -36.1 15.1 15.6 14.8 105 110 A W H 3> S+ 0 0 18 -49,-0.6 4,-1.2 1,-0.2 -1,-0.3 0.811 106.1 47.4 -65.5 -27.8 18.8 15.9 14.1 106 111 A V H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.896 110.0 53.0 -76.0 -41.0 19.1 18.1 17.2 107 112 A L H X S+ 0 0 29 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.869 103.7 57.6 -59.8 -37.9 17.1 15.6 19.1 108 113 A D H >X S+ 0 0 83 -4,-2.4 3,-1.1 1,-0.2 4,-0.7 0.917 105.7 49.0 -60.0 -43.2 19.5 12.9 18.0 109 114 A I H >X S+ 0 0 23 -4,-1.2 4,-1.8 1,-0.3 3,-0.9 0.883 104.7 59.8 -63.3 -36.7 22.4 14.8 19.6 110 115 A G H 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.705 92.9 68.3 -64.2 -18.4 20.3 15.1 22.7 111 116 A E H << S+ 0 0 113 -3,-1.1 -1,-0.2 -4,-0.8 3,-0.2 0.876 111.4 30.2 -68.5 -37.4 20.3 11.4 22.8 112 117 A S H << S+ 0 0 105 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.2 0.658 130.9 37.6 -95.2 -18.5 24.0 11.3 23.6 113 118 A N >< + 0 0 28 -4,-1.8 3,-1.1 -5,-0.1 -1,-0.2 -0.749 60.8 175.1-136.0 86.5 24.1 14.6 25.5 114 119 A H G > + 0 0 84 -2,-0.3 3,-1.2 1,-0.3 -4,-0.1 0.568 68.4 81.9 -68.0 -9.4 20.9 15.2 27.6 115 120 A D G 3 + 0 0 33 1,-0.2 92,-0.4 90,-0.1 -1,-0.3 0.371 68.3 79.9 -81.0 8.2 22.4 18.4 29.0 116 121 A I G < S+ 0 0 0 -3,-1.1 15,-2.2 -6,-0.1 2,-0.3 0.552 87.2 75.2 -86.8 -6.6 21.4 20.4 26.0 117 122 A F E < S-K 130 0C 1 -3,-1.2 10,-0.2 13,-0.2 13,-0.2 -0.736 98.3 -95.0-105.7 152.0 17.9 20.5 27.5 118 123 A Y E -K 126 0C 0 11,-0.8 8,-2.9 8,-0.8 2,-0.4 -0.456 48.9-162.1 -62.0 133.2 16.5 22.5 30.4 119 124 A T E -K 125 0C 4 83,-0.3 85,-2.1 6,-0.2 86,-0.3 -0.972 8.5-147.9-126.2 136.3 16.8 20.2 33.4 120 125 A N > - 0 0 4 4,-1.5 3,-2.0 -2,-0.4 82,-0.1 -0.418 40.1 -90.6 -94.7 174.1 15.0 20.4 36.8 121 126 A R T 3 S+ 0 0 143 80,-0.5 81,-0.1 1,-0.3 -1,-0.1 0.813 124.9 56.4 -54.2 -35.1 16.4 19.3 40.2 122 127 A S T 3 S- 0 0 71 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.593 118.9-109.3 -74.9 -10.4 14.9 15.8 39.8 123 128 A G < + 0 0 33 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.495 65.7 149.2 97.7 2.7 16.8 15.4 36.6 124 129 A T - 0 0 67 1,-0.0 -4,-1.5 67,-0.0 2,-0.4 -0.546 38.6-140.8 -72.6 130.1 13.9 15.4 34.2 125 130 A R E -K 119 0C 72 -2,-0.3 2,-0.6 -6,-0.2 -6,-0.2 -0.787 4.4-149.3 -96.0 135.4 14.9 16.9 30.8 126 131 A N E > -K 118 0C 8 -8,-2.9 -8,-0.8 -2,-0.4 3,-0.5 -0.909 8.0-168.8-102.5 119.9 12.5 19.2 28.9 127 132 A K E 3 + 0 0 93 -2,-0.6 -25,-0.4 1,-0.2 -1,-0.1 0.321 63.0 93.9 -92.4 9.3 13.0 18.9 25.2 128 133 A E E 3 S+ 0 0 3 1,-0.2 -39,-1.8 -10,-0.1 2,-0.3 0.633 96.0 10.8 -77.2 -11.4 10.9 21.8 24.1 129 134 A Y E < S- 0 0 0 -3,-0.5 -11,-0.8 -41,-0.2 2,-0.4 -0.969 78.9-102.5-165.4 147.3 13.9 24.2 23.9 130 135 A L E -K 117 0C 0 -43,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.601 47.6-109.7 -75.8 125.2 17.7 24.3 24.0 131 136 A T > - 0 0 0 -15,-2.2 3,-2.6 -2,-0.4 4,-0.2 -0.197 18.0-122.6 -54.9 139.9 19.0 25.4 27.4 132 137 A V G > S+ 0 0 10 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.758 107.1 81.9 -54.5 -20.3 20.6 28.9 27.4 133 138 A G G 3 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.750 93.0 41.6 -58.9 -25.8 23.5 26.8 28.7 134 139 A V G X S+ 0 0 0 -3,-2.6 3,-1.6 -18,-0.2 11,-1.4 0.273 76.9 114.6-107.1 13.5 24.5 25.7 25.2 135 140 A D T < S+ 0 0 4 -3,-1.8 11,-2.3 1,-0.3 12,-0.4 0.873 94.4 22.9 -46.5 -44.5 24.0 29.1 23.5 136 141 A N T 3 S+ 0 0 97 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.037 93.8 113.7-116.0 25.0 27.8 29.3 22.8 137 142 A E < - 0 0 77 -3,-1.6 2,-1.7 1,-0.1 8,-0.4 -0.881 60.3-144.6 -97.9 120.5 28.8 25.6 22.9 138 143 A P + 0 0 81 0, 0.0 4,-0.5 0, 0.0 6,-0.2 -0.270 64.1 118.2 -80.8 53.1 29.9 24.4 19.4 139 144 A I + 0 0 51 -2,-1.7 2,-0.8 -5,-0.2 5,-0.2 0.321 43.1 88.1-102.8 6.2 28.4 21.0 19.9 140 145 A F B > S-L 143 0D 0 3,-2.5 3,-1.7 -3,-0.3 -1,-0.1 -0.642 124.9 -58.1-107.4 75.7 25.8 20.9 17.1 141 146 A H T 3 S- 0 0 134 -2,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.903 114.7 -39.4 54.0 45.0 27.9 19.6 14.2 142 147 A G T 3 S+ 0 0 58 -4,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.101 122.9 99.0 96.4 -23.0 30.3 22.5 14.6 143 148 A R B < -L 140 0D 22 -3,-1.7 -3,-2.5 2,-0.0 -1,-0.3 -0.664 64.9-132.9-100.8 156.1 27.7 25.1 15.3 144 149 A T > - 0 0 12 -2,-0.2 4,-1.7 -6,-0.2 -9,-0.2 -0.566 35.3-104.4 -94.6 164.8 26.6 26.7 18.6 145 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.2 -8,-0.4 -10,-0.2 0.893 122.8 51.6 -59.0 -39.9 22.9 27.1 19.4 146 151 A I H > S+ 0 0 9 -11,-2.3 4,-2.4 -12,-0.3 -1,-0.2 0.864 106.8 52.8 -66.6 -34.4 23.1 30.8 18.7 147 152 A E H > S+ 0 0 88 -12,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.849 108.0 52.6 -68.8 -32.0 24.8 30.2 15.3 148 153 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.946 111.3 45.1 -66.5 -47.7 21.9 27.9 14.4 149 154 A Y H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.886 114.6 50.3 -63.2 -38.2 19.3 30.5 15.2 150 155 A S H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.930 110.1 47.2 -66.5 -48.0 21.4 33.1 13.3 151 156 A D H X S+ 0 0 38 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.887 110.4 55.4 -60.9 -38.5 21.8 31.0 10.2 152 157 A Y H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.934 109.3 44.8 -60.1 -48.8 18.1 30.2 10.3 153 158 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.862 112.1 52.2 -66.4 -36.1 17.0 33.9 10.3 154 159 A K H X S+ 0 0 92 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.908 109.8 48.9 -65.7 -42.4 19.5 34.8 7.6 155 160 A S H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.874 110.6 51.9 -64.5 -36.5 18.2 32.1 5.3 156 161 A F H X S+ 0 0 1 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.950 110.0 48.8 -63.1 -49.1 14.6 33.3 6.1 157 162 A R H < S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.937 116.0 42.3 -56.1 -50.6 15.6 36.9 5.1 158 163 A E H >< S+ 0 0 132 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.918 117.7 44.6 -65.5 -45.9 17.3 35.8 1.8 159 164 A N H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.655 120.6 40.2 -75.6 -15.2 14.6 33.3 0.8 160 165 A M T 3X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.2 3,-0.3 0.058 78.4 121.4-117.6 20.5 11.7 35.7 1.7 161 166 A S H <> S+ 0 0 48 -3,-1.0 4,-2.7 1,-0.2 5,-0.2 0.859 70.9 54.2 -52.7 -43.4 13.4 38.8 0.3 162 167 A D H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 110.5 45.9 -61.8 -42.0 10.6 39.6 -2.1 163 168 A F H 4>S+ 0 0 1 -3,-0.3 5,-2.3 2,-0.2 4,-0.4 0.907 113.5 49.4 -67.5 -40.0 7.9 39.5 0.6 164 169 A L H ><5S+ 0 0 8 -4,-2.3 3,-0.8 1,-0.2 120,-0.3 0.901 111.6 49.3 -64.9 -40.2 10.1 41.7 2.9 165 170 A E H 3<5S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.823 107.0 54.1 -69.0 -31.8 10.7 44.2 0.2 166 171 A S T 3<5S- 0 0 67 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.558 116.4-118.2 -78.9 -6.4 7.0 44.4 -0.7 167 172 A G T < 5S+ 0 0 32 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.783 70.8 136.6 77.2 28.4 6.4 45.2 3.0 168 173 A L < + 0 0 8 -5,-2.3 -87,-2.4 -88,-0.1 2,-0.6 0.915 57.3 69.2 -71.1 -43.2 4.3 42.2 3.8 169 174 A I E -d 81 0A 2 -6,-0.4 -87,-0.2 -89,-0.2 3,-0.1 -0.688 56.9-177.9 -86.1 118.1 6.0 41.5 7.1 170 175 A I E - 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0 0 0 125,-2.2 2,-2.3 -2,-0.3 3,-0.3 -0.687 44.6-109.3 -92.0 151.7 12.6 29.2 31.7 185 190 A P + 0 0 1 0, 0.0 124,-0.1 0, 0.0 15,-0.1 -0.395 62.8 148.9 -80.2 65.3 10.1 26.4 31.3 186 191 A S + 0 0 1 -2,-2.3 14,-1.7 1,-0.2 123,-0.1 0.655 64.6 46.5 -74.8 -17.8 9.2 26.6 35.1 187 192 A Y S S+ 0 0 32 -3,-0.3 2,-0.7 12,-0.2 -1,-0.2 -0.610 73.4 174.7-126.1 72.6 5.6 25.5 34.7 188 193 A P > > - 0 0 1 0, 0.0 5,-2.2 0, 0.0 3,-1.7 -0.697 21.6-165.4 -85.1 112.1 5.6 22.5 32.4 189 194 A Q G > 5S+ 0 0 91 -2,-0.7 3,-2.3 -97,-0.6 -96,-0.1 0.882 91.0 65.6 -58.6 -36.4 2.1 20.9 32.0 190 195 A S G 3 5S+ 0 0 83 -98,-0.6 -1,-0.3 1,-0.3 -97,-0.1 0.683 102.6 46.6 -60.7 -18.6 4.0 17.9 30.5 191 196 A Q G < 5S- 0 0 45 -3,-1.7 -1,-0.3 -99,-0.1 -2,-0.2 0.202 130.7 -91.7-108.0 14.1 5.6 17.3 33.9 192 197 A G T < 5 + 0 0 41 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.523 69.3 158.7 92.8 5.2 2.4 17.6 35.8 193 198 A W < - 0 0 25 -5,-2.2 2,-0.4 40,-0.0 -1,-0.3 -0.349 17.5-171.9 -63.2 145.8 2.5 21.3 36.6 194 199 A E > - 0 0 135 39,-0.0 3,-2.8 -2,-0.0 5,-0.1 -0.990 30.7 -70.3-144.8 129.1 -0.9 22.7 37.4 195 200 A F T 3 S+ 0 0 71 -2,-0.4 3,-0.1 1,-0.3 39,-0.1 -0.326 116.3 22.1 -53.9 135.8 -2.0 26.3 37.9 196 201 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.3 0, 0.0 109,-0.1 -0.615 85.3 133.3-106.7 52.1 -1.3 27.9 40.3 197 202 A G < - 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