==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAY-98 1BFN . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR M.ADACHI,B.MIKAMI,T.KATSUBE,S.UTSUMI . 490 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.6 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 . 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 2 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 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 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 0 124 0, 0.0 3,-0.8 0, 0.0 401,-0.2 0.000 360.0 360.0 360.0 160.5 -6.4 63.4 14.5 2 7 A M G > + 0 0 42 1,-0.2 3,-2.0 2,-0.2 438,-0.1 0.771 360.0 69.5 -67.4 -25.9 -8.3 60.4 15.9 3 8 A L G > S+ 0 0 26 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.742 85.3 67.4 -68.3 -20.0 -6.3 58.2 13.6 4 9 A L G < S+ 0 0 55 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.628 95.8 58.5 -71.6 -10.5 -3.3 59.0 15.8 5 10 A N G < S+ 0 0 1 -3,-2.0 2,-0.3 398,-0.2 -1,-0.2 0.407 80.2 123.5 -92.1 -0.9 -5.2 56.9 18.4 6 11 A Y < - 0 0 6 -3,-1.4 431,-0.2 431,-0.2 430,-0.1 -0.466 40.1-171.2 -72.4 123.3 -5.3 53.8 16.1 7 12 A V - 0 0 1 429,-2.2 403,-0.1 -2,-0.3 402,-0.1 -0.976 24.9-124.6-112.1 122.3 -3.9 50.6 17.6 8 13 A P - 0 0 0 0, 0.0 403,-1.9 0, 0.0 2,-0.5 -0.344 16.3-147.4 -71.6 148.1 -3.6 47.7 15.0 9 14 A V E -a 411 0A 0 32,-0.2 34,-1.9 401,-0.2 35,-1.1 -0.970 14.5-176.6-119.3 127.9 -5.1 44.3 15.6 10 15 A Y E -ab 412 44A 6 401,-2.3 403,-2.9 -2,-0.5 2,-0.4 -0.815 15.8-140.8-117.7 155.6 -3.5 41.1 14.3 11 16 A V E -ab 413 45A 0 33,-1.5 35,-1.9 -2,-0.3 2,-0.2 -0.983 17.3-123.5-122.1 137.5 -5.0 37.6 14.6 12 17 A M E - b 0 46A 9 401,-2.8 404,-2.0 -2,-0.4 35,-0.2 -0.569 30.9-125.9 -76.6 133.8 -3.0 34.5 15.3 13 18 A L - 0 0 2 33,-2.6 402,-0.2 -2,-0.2 35,-0.1 -0.358 37.9 -79.0 -74.4 161.7 -3.4 31.8 12.6 14 19 A P > - 0 0 40 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 -0.212 53.8 -98.8 -59.0 150.4 -4.5 28.2 13.5 15 20 A L T 3 S+ 0 0 55 1,-0.2 4,-0.1 2,-0.1 32,-0.0 -0.478 105.2 17.6 -67.5 140.7 -1.9 25.9 14.8 16 21 A G T 3 + 0 0 11 2,-0.2 9,-0.2 -2,-0.1 -1,-0.2 0.727 69.2 150.9 69.9 23.0 -0.4 23.5 12.2 17 22 A V S < S+ 0 0 21 -3,-1.0 8,-0.8 1,-0.2 2,-0.5 0.851 84.8 33.4 -59.3 -34.8 -1.6 25.5 9.1 18 23 A V B S-J 24 0B 0 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.995 107.6-137.3-112.9 128.1 1.5 24.1 7.5 19 24 A N > - 0 0 25 4,-2.2 3,-2.3 -2,-0.5 4,-0.3 -0.133 24.6 -88.3 -79.6 178.1 1.8 20.7 9.1 20 25 A V T 3 S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.1 78,-0.0 0.697 126.3 58.2 -61.2 -22.0 4.8 18.7 10.5 21 26 A D T 3 S- 0 0 124 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.396 119.8-109.6 -87.6 5.1 5.3 17.2 7.0 22 27 A N S < S+ 0 0 24 -3,-2.3 2,-0.4 1,-0.2 44,-0.2 0.910 73.1 137.8 64.9 49.7 5.8 20.7 5.5 23 28 A V - 0 0 74 -4,-0.3 -4,-2.2 43,-0.1 2,-1.5 -0.991 56.8-137.5-126.0 123.6 2.6 20.7 3.6 24 29 A F B -J 18 0B 25 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.708 33.0-167.9 -79.7 96.8 0.3 23.8 3.5 25 30 A E + 0 0 121 -2,-1.5 -1,-0.2 -8,-0.8 -7,-0.1 0.876 60.4 21.0 -62.7 -50.3 -2.7 21.6 4.0 26 31 A D > + 0 0 92 -9,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.586 54.4 161.2-130.7 80.4 -5.8 23.7 3.2 27 32 A P H > S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.873 81.7 51.4 -59.5 -37.1 -5.3 26.8 1.1 28 33 A D H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.892 111.9 44.9 -70.3 -43.1 -9.0 27.1 0.2 29 34 A G H > S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 114.1 48.0 -67.1 -48.8 -10.2 26.9 3.8 30 35 A L H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.927 108.3 58.1 -59.8 -40.6 -7.7 29.3 5.2 31 36 A K H X S+ 0 0 96 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.859 103.3 49.6 -59.5 -45.1 -8.5 31.7 2.3 32 37 A E H X S+ 0 0 139 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.927 114.2 47.9 -59.2 -42.8 -12.3 31.9 3.2 33 38 A Q H X S+ 0 0 37 -4,-1.8 4,-1.8 1,-0.2 3,-0.5 0.925 110.3 49.9 -64.0 -46.5 -11.3 32.6 6.8 34 39 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.855 108.0 53.7 -58.7 -38.4 -8.7 35.3 5.9 35 40 A L H X S+ 0 0 84 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.764 105.9 53.6 -70.8 -27.2 -11.1 37.1 3.7 36 41 A Q H X S+ 0 0 91 -4,-1.1 4,-1.4 -3,-0.5 -1,-0.2 0.896 110.1 48.4 -67.6 -41.9 -13.6 37.2 6.6 37 42 A L H <>S+ 0 0 0 -4,-1.8 5,-1.8 1,-0.2 3,-0.4 0.914 108.4 52.9 -66.0 -43.1 -10.8 38.8 8.7 38 43 A R H ><5S+ 0 0 48 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.877 109.8 48.8 -60.5 -39.2 -10.0 41.3 5.9 39 44 A A H 3<5S+ 0 0 89 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.779 104.4 59.0 -73.4 -25.9 -13.7 42.4 5.8 40 45 A A T 3<5S- 0 0 15 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.421 122.1-105.3 -80.3 -3.6 -13.9 42.8 9.6 41 46 A G T < 5 + 0 0 10 -3,-1.1 -32,-0.2 -4,-0.3 402,-0.2 0.479 61.6 161.5 96.4 3.8 -11.1 45.4 9.4 42 47 A V < - 0 0 0 -5,-1.8 -1,-0.2 1,-0.1 -32,-0.2 -0.303 31.4-149.4 -63.6 137.5 -8.2 43.2 10.8 43 48 A D - 0 0 6 -34,-1.9 37,-1.7 1,-0.2 2,-0.3 0.838 61.1 -32.7 -80.6 -33.5 -4.8 44.6 10.0 44 49 A G E -bc 10 80A 0 -35,-1.1 -33,-1.5 35,-0.3 2,-0.3 -0.947 53.0-114.3-167.9-177.4 -2.7 41.5 9.8 45 50 A V E -bc 11 81A 0 35,-2.4 37,-2.3 -2,-0.3 2,-0.4 -0.821 17.9-136.3-130.1 170.3 -2.1 38.0 11.0 46 51 A M E -bc 12 82A 0 -35,-1.9 -33,-2.6 -2,-0.3 2,-0.3 -0.983 19.2-177.2-131.7 142.5 0.6 36.1 12.9 47 52 A V E - c 0 83A 5 35,-2.0 37,-2.5 -2,-0.4 2,-0.4 -0.994 25.8-124.2-141.4 145.8 2.2 32.7 12.3 48 53 A D E - c 0 84A 16 -2,-0.3 2,-0.7 35,-0.2 37,-0.1 -0.736 14.7-155.6 -82.3 134.1 4.7 30.4 13.9 49 54 A V E - c 0 85A 1 35,-2.3 37,-1.3 -2,-0.4 2,-0.3 -0.861 24.6-146.0-111.2 89.4 7.6 29.4 11.5 50 55 A W E >> - c 0 86A 11 -2,-0.7 4,-1.8 1,-0.1 3,-1.5 -0.401 14.9-153.1 -68.2 120.5 8.5 26.2 13.3 51 56 A W H 3> S+ 0 0 0 35,-3.0 4,-2.1 -2,-0.3 -1,-0.1 0.855 96.4 62.0 -59.0 -34.3 12.2 25.2 13.2 52 57 A G H 34 S+ 0 0 4 34,-0.4 -1,-0.3 36,-0.3 52,-0.2 0.615 108.3 41.3 -70.7 -16.4 11.1 21.5 13.5 53 58 A I H X4 S+ 0 0 3 -3,-1.5 3,-0.9 47,-0.1 4,-0.2 0.852 119.6 42.4 -88.7 -50.6 9.3 21.7 10.1 54 59 A I H 3< S+ 0 0 2 -4,-1.8 9,-1.2 1,-0.2 3,-0.3 0.879 122.5 30.4 -65.5 -51.7 11.9 23.8 8.2 55 60 A E T 3< S+ 0 0 0 -4,-2.1 -1,-0.2 7,-0.2 6,-0.2 -0.160 83.9 123.2-105.8 40.6 15.3 22.3 9.1 56 61 A L < + 0 0 75 -3,-0.9 49,-0.5 1,-0.2 -1,-0.2 0.925 61.8 56.9 -67.8 -47.4 14.0 18.8 9.7 57 62 A K S S- 0 0 182 4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.791 119.8 -57.6 -61.6 -32.4 16.2 16.8 7.3 58 63 A G S > S- 0 0 9 3,-0.3 3,-2.2 -3,-0.1 -1,-0.2 -0.954 83.6 -29.0 169.7 175.7 19.6 17.8 8.7 59 64 A P T 3 S- 0 0 49 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.262 128.6 -4.2 -52.7 127.9 21.8 20.9 9.4 60 65 A K T 3 S+ 0 0 117 1,-0.2 2,-1.3 -5,-0.1 -4,-0.1 0.611 91.3 133.7 55.1 23.4 21.0 23.7 6.9 61 66 A Q < + 0 0 114 -3,-2.2 -4,-0.5 -6,-0.2 2,-0.4 -0.677 35.4 173.9 -94.8 78.0 18.6 21.5 5.0 62 67 A Y - 0 0 48 -2,-1.3 2,-0.5 -7,-0.2 -7,-0.2 -0.714 22.4-168.1 -91.2 136.2 15.9 24.2 4.9 63 68 A D + 0 0 45 -9,-1.2 4,-0.2 -2,-0.4 3,-0.2 -0.933 13.5 168.0-124.2 112.1 12.7 23.8 3.0 64 69 A W > + 0 0 13 -2,-0.5 4,-2.0 1,-0.1 3,-0.1 0.413 45.1 102.8-100.9 2.9 10.8 27.1 2.7 65 70 A R H > S+ 0 0 171 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.847 79.2 44.2 -60.6 -49.7 8.2 26.1 0.0 66 71 A A H > S+ 0 0 9 2,-0.2 4,-1.5 -44,-0.2 -1,-0.2 0.851 114.6 50.7 -67.8 -33.4 5.0 25.6 2.0 67 72 A Y H > S+ 0 0 2 -4,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 107.3 56.0 -69.8 -31.8 5.6 28.8 4.1 68 73 A R H X S+ 0 0 75 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.922 106.6 48.5 -63.6 -42.4 6.2 30.6 0.8 69 74 A S H X S+ 0 0 68 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.859 112.5 50.0 -63.9 -33.3 2.7 29.5 -0.5 70 75 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.951 111.0 46.8 -68.0 -52.9 1.2 30.6 2.9 71 76 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.891 110.8 54.7 -56.6 -39.2 2.8 34.1 2.7 72 77 A Q H X S+ 0 0 71 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.952 109.6 45.8 -59.5 -49.5 1.6 34.4 -0.9 73 78 A L H X S+ 0 0 12 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.877 110.5 52.5 -63.3 -38.5 -2.0 33.7 0.1 74 79 A V H <>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 4,-0.2 0.918 111.0 49.4 -62.2 -42.0 -1.8 36.2 3.1 75 80 A Q H ><5S+ 0 0 69 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.925 108.2 51.9 -64.1 -42.9 -0.6 38.9 0.6 76 81 A E H 3<5S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.2 54.8 -62.2 -31.8 -3.4 38.1 -1.9 77 82 A C T 3<5S- 0 0 7 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.375 115.8-115.6 -82.7 -0.2 -5.9 38.5 1.0 78 83 A G T < 5S+ 0 0 38 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.771 70.8 126.7 78.0 28.2 -4.6 42.0 1.8 79 84 A L < - 0 0 5 -5,-1.7 -35,-0.3 -35,-0.0 -1,-0.2 -0.857 52.4-132.1-115.6 147.9 -3.3 41.3 5.3 80 85 A T E -c 44 0A 36 -37,-1.7 -35,-2.4 -2,-0.3 2,-0.4 -0.407 25.6-130.6 -86.7 178.4 0.2 42.0 6.8 81 86 A L E -cd 45 169A 0 87,-2.6 89,-2.0 -37,-0.2 90,-0.8 -0.984 16.0-158.7-138.5 134.4 2.1 39.4 8.8 82 87 A Q E -cd 46 171A 10 -37,-2.3 -35,-2.0 -2,-0.4 2,-0.5 -0.970 26.9-155.5-100.9 125.5 4.0 39.1 12.1 83 88 A A E -cd 47 172A 0 88,-2.5 90,-2.4 -2,-0.5 2,-0.5 -0.915 3.4-152.3-106.2 128.2 6.4 36.0 11.7 84 89 A I E -cd 48 173A 6 -37,-2.5 -35,-2.3 -2,-0.5 2,-1.5 -0.864 11.7-142.9 -99.8 125.1 7.7 34.1 14.8 85 90 A M E -cd 49 174A 0 88,-2.6 90,-1.9 -2,-0.5 2,-1.1 -0.726 29.2-161.6 -82.0 89.8 11.0 32.3 14.5 86 91 A S E +c 50 0A 0 -2,-1.5 -35,-3.0 -37,-1.3 -34,-0.4 -0.679 26.9 167.7 -88.4 99.9 9.8 29.4 16.6 87 92 A F + 0 0 0 -2,-1.1 43,-0.4 -37,-0.2 2,-0.3 -0.036 55.8 81.8 -96.9 30.1 12.7 27.4 17.9 88 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 2,-0.2 -0.785 85.7 -85.0-131.5 170.3 10.5 25.4 20.3 89 94 A Q - 0 0 40 39,-1.8 2,-0.5 -2,-0.3 90,-0.3 -0.584 31.3-140.0 -80.7 137.2 8.2 22.5 20.3 90 95 A C B -K 100 0C 6 10,-2.7 10,-2.2 -2,-0.2 2,-0.1 -0.870 64.7 -40.2 -92.9 131.1 4.6 22.8 19.3 91 96 A G + 0 0 24 -2,-0.5 8,-0.2 8,-0.2 3,-0.1 -0.294 60.5 158.9 61.8-134.4 2.3 20.7 21.6 92 97 A G + 0 0 44 1,-0.4 2,-0.3 6,-0.2 -1,-0.1 0.441 41.3 113.3 92.5 3.5 3.5 17.3 22.5 93 98 A N S > S- 0 0 56 1,-0.1 3,-2.6 0, 0.0 -1,-0.4 -0.713 81.6 -80.5-102.5 161.4 1.3 16.8 25.6 94 99 A V T 3 S+ 0 0 158 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.374 121.2 26.3 -63.0 122.2 -1.5 14.4 26.0 95 100 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.190 90.8 141.1 105.1 -13.9 -4.5 15.7 24.3 96 101 A D < - 0 0 62 -3,-2.6 -1,-0.3 1,-0.1 3,-0.1 -0.460 39.2-160.7 -76.7 129.9 -2.5 17.8 21.8 97 102 A I S S+ 0 0 147 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.897 77.3 32.0 -60.7 -64.6 -3.6 18.1 18.3 98 103 A V - 0 0 25 2,-0.0 2,-0.5 -79,-0.0 -1,-0.2 -0.956 65.9-176.6-116.8 126.6 -0.5 19.3 16.5 99 104 A N + 0 0 69 -2,-0.5 -8,-0.2 -8,-0.2 -79,-0.1 -0.983 6.6 172.0-123.9 109.2 2.7 18.2 17.8 100 105 A I B -K 90 0C 1 -10,-2.2 -10,-2.7 -2,-0.5 -48,-0.2 -0.902 16.3-159.8-122.4 103.6 5.8 19.5 16.1 101 106 A P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.175 32.3 -92.7 -65.2 168.4 9.1 18.6 17.9 102 107 A I S S- 0 0 3 25,-0.4 5,-0.2 1,-0.2 -15,-0.1 -0.400 77.4 -52.1 -71.4 165.0 12.4 20.5 17.4 103 108 A P >> - 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.086 45.5-134.1 -48.8 132.1 14.5 18.8 14.6 104 109 A Q H 3> S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.831 106.0 60.5 -52.8 -34.5 15.1 15.1 15.0 105 110 A W H 3> S+ 0 0 21 -49,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.822 107.2 46.4 -67.9 -26.8 18.9 15.6 14.2 106 111 A V H <> S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 3,-0.4 0.938 110.5 52.7 -76.6 -43.9 19.1 17.8 17.3 107 112 A L H X S+ 0 0 30 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.845 104.5 57.1 -60.0 -30.8 17.1 15.2 19.3 108 113 A D H X S+ 0 0 87 -4,-2.4 4,-0.7 2,-0.2 3,-0.5 0.912 105.1 49.1 -69.1 -39.4 19.6 12.6 18.3 109 114 A I H >X S+ 0 0 22 -4,-1.1 4,-1.7 -3,-0.4 3,-1.0 0.891 107.8 57.4 -62.3 -36.8 22.5 14.6 19.7 110 115 A G H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.743 94.3 66.0 -66.2 -25.9 20.3 14.9 22.8 111 116 A E H 3< S+ 0 0 115 -4,-1.1 -1,-0.3 -3,-0.5 3,-0.2 0.794 112.7 32.4 -64.2 -30.1 20.2 11.1 23.0 112 117 A S H << S+ 0 0 105 -3,-1.0 2,-0.4 -4,-0.7 -2,-0.2 0.657 129.3 36.9-100.0 -18.7 23.9 11.0 23.7 113 118 A N >< + 0 0 30 -4,-1.7 3,-1.2 -5,-0.1 -1,-0.2 -0.785 61.3 177.1-136.0 90.1 24.1 14.4 25.6 114 119 A H G > S+ 0 0 77 -2,-0.4 3,-1.3 1,-0.2 -1,-0.1 0.635 70.1 78.8 -63.6 -18.4 21.0 14.9 27.8 115 120 A D G 3 + 0 0 33 1,-0.3 92,-0.4 90,-0.1 -1,-0.2 0.335 70.0 80.9 -79.4 7.3 22.4 18.1 29.2 116 121 A I G < S+ 0 0 0 -3,-1.2 15,-2.1 -6,-0.1 2,-0.3 0.551 87.5 72.5 -81.9 -6.5 21.4 20.1 26.1 117 122 A F E < S-L 130 0D 0 -3,-1.3 10,-0.2 13,-0.2 13,-0.2 -0.806 98.9 -96.3-107.9 145.6 17.9 20.2 27.6 118 123 A Y E -L 126 0D 2 11,-0.7 8,-2.8 8,-0.6 2,-0.4 -0.360 47.7-163.1 -56.6 137.1 16.6 22.2 30.6 119 124 A T E -L 125 0D 4 83,-0.3 85,-1.9 6,-0.2 86,-0.3 -0.983 9.2-148.2-131.2 132.4 16.7 19.9 33.6 120 125 A N > - 0 0 3 4,-1.8 3,-1.6 -2,-0.4 82,-0.1 -0.278 43.2 -86.2 -89.5-173.3 14.9 20.2 37.0 121 126 A R T 3 S+ 0 0 93 80,-0.4 81,-0.1 1,-0.3 -1,-0.0 0.854 126.5 58.1 -63.6 -34.4 16.2 19.0 40.4 122 127 A S T 3 S- 0 0 75 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.501 119.2-108.7 -70.6 -8.7 14.8 15.5 39.9 123 128 A G < + 0 0 40 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.611 64.2 155.1 89.7 10.5 16.8 15.1 36.7 124 129 A T - 0 0 60 1,-0.0 -4,-1.8 67,-0.0 2,-0.4 -0.621 35.6-140.7 -79.8 130.4 13.9 15.4 34.3 125 130 A R E -L 119 0D 68 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.744 6.0-153.2 -86.9 122.6 14.8 16.6 30.9 126 131 A N E -L 118 0D 10 -8,-2.8 -8,-0.6 -2,-0.4 3,-0.4 -0.914 6.8-169.4-101.9 124.3 12.5 19.0 29.1 127 132 A K E + 0 0 76 -2,-0.6 -25,-0.4 1,-0.2 -1,-0.1 0.314 59.1 97.8 -96.4 10.5 12.9 18.6 25.4 128 133 A E E S+ 0 0 30 1,-0.1 -39,-1.8 -10,-0.1 2,-0.3 0.639 94.7 1.3 -70.3 -20.5 10.9 21.7 24.2 129 134 A Y E S- 0 0 2 -3,-0.4 -11,-0.7 -41,-0.2 2,-0.4 -0.977 80.6 -94.3-165.4 155.2 13.9 23.9 23.8 130 135 A L E -L 117 0D 0 -43,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.688 47.4-108.5 -84.9 129.8 17.6 24.0 24.0 131 136 A T > - 0 0 0 -15,-2.1 3,-2.0 -2,-0.4 4,-0.2 -0.158 18.4-122.6 -56.7 142.3 19.1 25.2 27.4 132 137 A V G > S+ 0 0 13 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.731 107.4 77.2 -55.9 -23.0 20.8 28.5 27.5 133 138 A G G 3 S+ 0 0 17 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.772 96.0 45.4 -60.4 -25.7 23.9 26.5 28.7 134 139 A V G X S+ 0 0 0 -3,-2.0 11,-1.6 -18,-0.2 3,-1.3 0.373 78.3 109.2-102.7 10.0 24.6 25.3 25.1 135 140 A D T < S+ 0 0 4 -3,-1.4 11,-2.1 1,-0.3 12,-0.3 0.816 96.0 21.9 -50.2 -37.4 24.1 28.7 23.5 136 141 A N T 3 S+ 0 0 99 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.092 95.2 113.6-124.1 24.4 27.9 28.9 22.8 137 142 A E < - 0 0 72 -3,-1.3 2,-1.9 1,-0.1 8,-0.4 -0.851 61.2-143.2 -95.6 121.8 28.8 25.3 22.9 138 143 A P + 0 0 78 0, 0.0 4,-0.5 0, 0.0 6,-0.3 -0.293 64.5 117.1 -86.4 58.1 29.9 24.0 19.5 139 144 A I + 0 0 53 -2,-1.9 2,-0.8 -5,-0.2 5,-0.2 0.316 42.6 87.4-109.9 5.1 28.4 20.6 19.9 140 145 A F B > S-M 143 0E 0 3,-2.7 3,-1.6 -3,-0.3 -1,-0.1 -0.678 126.5 -56.8-107.5 82.0 25.7 20.5 17.1 141 146 A H T 3 S- 0 0 139 -2,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.934 116.1 -38.2 42.2 53.2 27.9 19.2 14.2 142 147 A G T 3 S+ 0 0 57 -4,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.235 121.8 104.1 92.0 -14.4 30.3 22.1 14.7 143 148 A R B < -M 140 0E 23 -3,-1.6 -3,-2.7 -5,-0.0 -1,-0.3 -0.729 62.6-135.4-102.6 151.5 27.6 24.8 15.4 144 149 A T > - 0 0 14 -2,-0.3 4,-1.6 -6,-0.3 3,-0.2 -0.534 36.4-103.3 -87.2 163.9 26.6 26.3 18.7 145 150 A A H > S+ 0 0 0 -11,-1.6 4,-1.8 -8,-0.4 -10,-0.2 0.915 122.9 51.7 -59.5 -38.9 22.8 26.7 19.5 146 151 A I H > S+ 0 0 9 -11,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.846 105.8 53.7 -68.5 -32.5 23.0 30.5 18.6 147 152 A E H > S+ 0 0 92 -12,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.873 107.2 52.7 -63.5 -37.1 24.7 29.8 15.2 148 153 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.944 113.5 43.4 -60.8 -45.8 21.8 27.4 14.4 149 154 A Y H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.900 115.3 48.7 -68.5 -41.1 19.3 30.2 15.3 150 155 A S H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.934 111.7 48.3 -63.7 -47.6 21.3 32.8 13.4 151 156 A D H X S+ 0 0 37 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.900 109.8 53.5 -60.3 -41.1 21.6 30.7 10.3 152 157 A Y H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.894 110.6 45.9 -61.3 -42.8 17.9 29.9 10.3 153 158 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.894 111.3 51.6 -72.4 -38.7 17.0 33.6 10.4 154 159 A K H X S+ 0 0 80 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.902 111.3 48.6 -60.3 -42.9 19.5 34.5 7.6 155 160 A S H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.871 110.4 50.7 -66.8 -37.4 18.0 31.8 5.4 156 161 A F H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.961 111.3 49.4 -60.5 -49.9 14.5 33.0 6.1 157 162 A R H < S+ 0 0 80 -4,-2.5 -2,-0.2 1,-0.2 7,-0.2 0.913 115.8 41.8 -58.8 -44.0 15.6 36.6 5.2 158 163 A E H >< S+ 0 0 128 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.926 117.8 44.1 -70.1 -48.3 17.2 35.5 1.9 159 164 A N H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.693 120.9 40.4 -73.2 -16.3 14.5 33.0 0.8 160 165 A M T >X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 3,-0.7 0.087 77.8 121.3-114.4 22.1 11.6 35.4 1.7 161 166 A S H <> S+ 0 0 47 -3,-1.0 4,-2.8 1,-0.3 5,-0.2 0.825 70.5 56.2 -59.6 -32.4 13.3 38.6 0.4 162 167 A D H 3> S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.895 109.1 45.0 -69.2 -36.7 10.5 39.3 -2.0 163 168 A F H <4>S+ 0 0 2 -3,-0.7 5,-2.4 2,-0.2 6,-0.6 0.850 115.2 50.1 -73.9 -27.1 7.9 39.3 0.8 164 169 A L H ><5S+ 0 0 7 -4,-2.0 3,-1.3 3,-0.2 120,-0.3 0.935 111.7 46.6 -72.4 -43.3 10.2 41.5 2.9 165 170 A E H 3<5S+ 0 0 157 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.922 110.2 52.5 -63.3 -46.8 10.8 44.0 0.1 166 171 A S T 3<5S- 0 0 72 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.315 115.5-116.1 -74.0 5.7 7.1 44.3 -0.7 167 172 A G T < 5S+ 0 0 36 -3,-1.3 -3,-0.2 2,-0.1 -2,-0.1 0.738 72.3 133.5 70.0 27.6 6.3 45.0 3.0 168 173 A L < + 0 0 9 -5,-2.4 -87,-2.6 1,-0.1 2,-0.6 0.939 60.8 67.8 -71.7 -42.8 4.2 41.9 3.9 169 174 A I E +d 81 0A 1 -6,-0.6 -87,-0.2 -89,-0.2 -1,-0.1 -0.692 55.4 179.6 -89.1 111.7 6.1 41.3 7.2 170 175 A I E - 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