==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-09 3FSG . COMPND 2 MOLECULE: ALPHA/BETA SUPERFAMILY HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OENOCOCCUS OENI; . AUTHOR B.NOCEK,L.BIGELOW,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 1063 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 765 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 100 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 5 0 6 8 8 0 4 0 4 0 0 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 8 1 10 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 . 0 4 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 1 A X 0 0 126 0, 0.0 2,-0.6 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 167.1 23.8 18.2 62.2 2 2 A K - 0 0 140 12,-0.1 12,-0.5 1,-0.0 2,-0.4 -0.636 360.0-152.9 -83.0 115.3 21.6 17.2 65.2 3 3 A E - 0 0 87 -2,-0.6 2,-0.3 10,-0.1 10,-0.2 -0.742 12.9-168.6 -86.7 135.6 21.8 13.5 66.0 4 4 A Y E -A 12 0A 92 8,-3.0 8,-2.5 -2,-0.4 2,-0.4 -0.773 9.2-150.1-115.8 166.0 18.7 12.0 67.7 5 5 A L E -A 11 0A 96 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.989 11.6-139.5-142.3 125.9 18.3 8.6 69.4 6 6 A T > - 0 0 5 4,-2.3 3,-1.5 -2,-0.4 72,-0.1 -0.272 30.7-108.4 -76.7 167.2 15.0 6.7 69.6 7 7 A R T 3 S+ 0 0 219 1,-0.3 -1,-0.1 2,-0.1 71,-0.1 0.772 123.6 62.1 -63.1 -25.3 13.9 4.9 72.7 8 8 A S T 3 S- 0 0 23 2,-0.1 -1,-0.3 66,-0.1 70,-0.1 0.239 121.9-112.1 -80.7 9.2 14.7 1.7 70.6 9 9 A N < + 0 0 70 -3,-1.5 52,-0.7 1,-0.2 2,-0.6 0.822 68.4 143.5 53.6 45.2 18.3 3.0 70.5 10 10 A I - 0 0 1 50,-0.2 -4,-2.3 64,-0.1 2,-0.3 -0.957 42.5-142.6-106.8 122.7 18.5 3.8 66.8 11 11 A S E +A 5 0A 0 -2,-0.6 42,-2.5 42,-0.3 2,-0.3 -0.645 33.0 157.9 -83.9 143.4 20.5 6.9 66.1 12 12 A Y E -AB 4 52A 33 -8,-2.5 -8,-3.0 -2,-0.3 2,-0.3 -0.991 38.8-128.9-157.2 161.6 19.3 9.1 63.2 13 13 A F E - B 0 51A 10 38,-1.6 38,-1.9 -2,-0.3 2,-0.4 -0.871 21.4-169.7-103.7 149.2 19.2 12.6 61.6 14 14 A S E + B 0 50A 27 -12,-0.5 2,-0.4 -2,-0.3 36,-0.2 -0.968 10.6 171.0-139.5 122.0 15.9 14.2 60.8 15 15 A I E + B 0 49A 45 34,-1.9 34,-3.4 -2,-0.4 -2,-0.0 -1.000 42.8 5.1-134.5 136.4 15.7 17.4 58.6 16 16 A G - 0 0 42 -2,-0.4 2,-0.2 32,-0.3 32,-0.2 -0.072 67.3-103.6 90.5 171.8 12.8 19.2 57.1 17 17 A S + 0 0 94 28,-0.3 2,-0.2 30,-0.2 32,-0.0 -0.721 69.8 65.9-123.4 175.3 9.1 18.7 57.2 18 18 A G S S+ 0 0 47 -2,-0.2 29,-0.2 29,-0.2 30,-0.1 -0.619 96.1 0.9 105.4-167.7 6.6 17.3 54.7 19 19 A T S S- 0 0 59 27,-0.2 29,-2.3 -2,-0.2 2,-0.2 -0.296 82.2-117.0 -57.6 132.3 6.4 13.7 53.5 20 20 A P E -c 48 0A 9 0, 0.0 69,-3.1 0, 0.0 2,-0.5 -0.552 22.7-164.5 -78.4 138.7 8.9 11.5 55.2 21 21 A I E -cd 49 89A 0 27,-2.6 29,-2.7 -2,-0.2 2,-0.7 -0.994 9.0-155.7-114.0 121.8 11.7 9.7 53.4 22 22 A I E -cd 50 90A 0 67,-3.1 69,-2.2 -2,-0.5 2,-0.5 -0.884 9.9-159.1 -99.2 111.5 13.4 7.0 55.5 23 23 A F E -cd 51 91A 0 27,-3.2 29,-1.7 -2,-0.7 2,-0.5 -0.821 6.0-167.5 -97.4 127.0 16.9 6.3 54.3 24 24 A L E -cd 52 92A 0 67,-2.9 69,-1.7 -2,-0.5 29,-0.1 -0.951 15.2-145.7-118.3 112.5 18.6 2.9 55.1 25 25 A H - 0 0 0 27,-0.6 71,-0.3 -2,-0.5 6,-0.1 -0.145 24.6 -88.2 -77.7 171.5 22.4 2.8 54.4 26 26 A G > - 0 0 0 4,-0.2 3,-1.9 69,-0.2 68,-0.2 -0.227 54.2 -73.0 -79.9 167.6 24.4 -0.2 53.2 27 27 A L T 3 S+ 0 0 35 1,-0.3 -1,-0.2 66,-0.0 3,-0.1 -0.435 121.5 12.3 -60.5 139.3 26.1 -3.0 55.3 28 28 A S T 3 S+ 0 0 24 1,-0.3 151,-0.3 147,-0.1 -1,-0.3 0.331 113.5 98.2 68.6 2.8 29.3 -1.6 57.1 29 29 A L < - 0 0 10 -3,-1.9 -1,-0.3 146,-0.1 2,-0.3 -0.305 58.3-150.9-101.3-172.9 28.2 1.9 56.3 30 30 A D >> - 0 0 0 141,-0.4 3,-1.8 27,-0.1 4,-0.6 -0.874 41.7 -75.5-147.2-173.9 26.4 4.5 58.4 31 31 A K H 3> S+ 0 0 2 1,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.488 117.9 73.8 -69.5 -8.7 24.1 7.5 57.9 32 32 A Q H 3> S+ 0 0 49 3,-0.2 4,-1.9 2,-0.2 5,-0.4 0.848 92.6 57.0 -61.6 -39.8 26.9 9.7 56.7 33 33 A S H <4 S+ 0 0 5 -3,-1.8 4,-0.3 138,-0.2 -2,-0.2 0.847 118.0 29.9 -63.9 -36.6 26.8 7.7 53.5 34 34 A T H X S+ 0 0 3 -4,-0.6 4,-2.5 2,-0.1 3,-0.4 0.909 121.1 49.7 -88.9 -53.0 23.1 8.5 52.9 35 35 A X H X S+ 0 0 12 -4,-2.5 4,-2.0 1,-0.2 -3,-0.2 0.931 113.8 44.9 -52.6 -55.4 22.9 12.0 54.6 36 36 A L H < S+ 0 0 69 -4,-1.9 -1,-0.2 -5,-0.2 -3,-0.2 0.786 116.8 48.2 -62.4 -25.3 26.0 13.4 52.8 37 37 A F H 4 S+ 0 0 20 -3,-0.4 -1,-0.2 -5,-0.4 -2,-0.2 0.908 118.7 32.2 -82.0 -49.2 24.9 12.0 49.5 38 38 A F H >< S+ 0 0 2 -4,-2.5 3,-2.4 1,-0.1 -2,-0.2 0.829 103.1 71.0 -85.1 -31.8 21.2 13.1 49.3 39 39 A E T 3< S+ 0 0 48 -4,-2.0 5,-0.2 -5,-0.4 -1,-0.1 0.897 93.4 59.6 -54.6 -39.9 21.3 16.4 51.1 40 40 A P T 3 S+ 0 0 105 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.507 85.0 102.7 -65.7 1.7 23.2 18.0 48.2 41 41 A L S X S- 0 0 22 -3,-2.4 3,-1.4 1,-0.1 4,-0.4 -0.758 76.1-124.5-106.4 136.3 20.3 17.2 45.7 42 42 A S T 3 S+ 0 0 96 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.626 96.7 40.9 -51.7 -36.7 17.9 19.9 44.6 43 43 A N T 3 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.1 219,-0.0 -0.238 84.7 81.0-117.3 45.1 14.6 18.3 45.4 44 44 A V S X S+ 0 0 2 -3,-1.4 3,-2.4 -5,-0.2 -1,-0.2 0.452 72.3 93.6-101.4 -6.5 14.7 16.6 48.8 45 45 A G T 3 S+ 0 0 50 -3,-0.4 -28,-0.3 -4,-0.4 -2,-0.1 0.786 78.9 52.9 -52.2 -39.7 14.1 20.0 50.4 46 46 A Q T 3 S+ 0 0 113 -30,-0.1 -1,-0.3 2,-0.1 -27,-0.2 0.575 102.4 77.0 -73.2 -7.6 10.3 19.7 50.6 47 47 A Y S < S- 0 0 20 -3,-2.4 2,-0.8 -29,-0.2 -30,-0.2 -0.487 85.1-114.6-101.9 166.8 10.6 16.3 52.4 48 48 A Q E - c 0 20A 40 -29,-2.3 -27,-2.6 -32,-0.2 2,-0.6 -0.925 38.3-151.5 -95.5 112.3 11.4 15.3 56.0 49 49 A R E -Bc 15 21A 21 -34,-3.4 -34,-1.9 -2,-0.8 2,-0.6 -0.801 13.6-171.6 -94.3 123.1 14.6 13.4 55.5 50 50 A I E -Bc 14 22A 0 -29,-2.7 -27,-3.2 -2,-0.6 2,-0.7 -0.940 3.3-171.6-121.6 109.6 15.2 10.7 58.0 51 51 A Y E -Bc 13 23A 0 -38,-1.9 -38,-1.6 -2,-0.6 2,-0.2 -0.880 12.3-163.5-107.1 105.3 18.6 9.0 57.9 52 52 A L E -Bc 12 24A 0 -29,-1.7 -27,-0.6 -2,-0.7 2,-0.6 -0.613 16.8-137.3 -87.5 148.2 18.8 6.0 60.2 53 53 A D - 0 0 0 -42,-2.5 -42,-0.3 -2,-0.2 3,-0.1 -0.917 30.1-128.3 -92.6 124.0 21.9 4.1 61.5 54 54 A L > - 0 0 0 -2,-0.6 3,-1.9 -28,-0.1 6,-0.4 -0.300 41.1 -77.1 -63.4 157.7 21.3 0.4 61.3 55 55 A P T 3 S+ 0 0 0 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.318 121.6 16.3 -55.0 135.6 21.9 -1.7 64.5 56 56 A G T 3 S+ 0 0 4 4,-1.1 124,-2.7 5,-0.3 2,-0.3 0.587 114.7 90.2 70.1 15.2 25.6 -2.2 65.1 57 57 A X S X S- 0 0 1 -3,-1.9 3,-2.5 3,-0.5 -1,-0.2 -0.949 89.2 -12.5-135.9 154.4 26.5 0.6 62.6 58 58 A G T 3 S- 0 0 12 117,-0.3 -28,-0.1 -2,-0.3 -6,-0.0 -0.376 128.1 -27.9 58.0-132.3 27.1 4.3 63.0 59 59 A N T 3 S+ 0 0 62 -48,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.029 109.6 110.6-104.2 19.6 25.9 5.3 66.5 60 60 A S < - 0 0 5 -3,-2.5 -4,-1.1 -6,-0.4 -3,-0.5 -0.891 69.4-120.5-100.8 128.8 23.2 2.6 66.8 61 61 A D - 0 0 84 -52,-0.7 -5,-0.3 -2,-0.5 -4,-0.2 -0.183 27.7-105.3 -58.7 146.2 23.9 -0.1 69.4 62 62 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.218 41.6-136.9 -60.4 167.7 24.1 -3.7 68.4 63 63 A I - 0 0 30 -8,-0.1 8,-0.1 -3,-0.1 7,-0.1 -0.930 9.5-104.4-138.1 152.2 21.1 -5.8 69.3 64 64 A S S S+ 0 0 116 -2,-0.3 2,-0.1 2,-0.1 0, 0.0 -0.995 104.1 37.8-125.4 128.9 20.3 -9.2 70.8 65 65 A P S S- 0 0 85 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 0.597 88.7-144.5 -62.6 149.5 19.3 -11.5 69.1 66 66 A S + 0 0 24 -2,-0.1 2,-0.3 4,-0.1 124,-0.2 -0.686 53.2 122.5 -91.9 82.1 21.6 -10.5 66.3 67 67 A T S > S- 0 0 23 -2,-1.5 4,-2.3 1,-0.1 124,-0.2 -0.949 75.3-114.8-139.3 157.4 19.3 -11.5 63.5 68 68 A S H > S+ 0 0 1 122,-2.8 4,-3.1 119,-0.3 5,-0.2 0.902 116.6 59.9 -58.7 -39.3 17.6 -9.8 60.5 69 69 A D H > S+ 0 0 90 121,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.909 107.8 43.8 -52.8 -43.3 14.2 -10.5 62.2 70 70 A N H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.901 111.2 54.7 -74.8 -38.5 15.3 -8.4 65.2 71 71 A V H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.950 111.2 45.6 -54.0 -52.1 16.8 -5.7 62.9 72 72 A L H X S+ 0 0 13 -4,-3.1 4,-3.2 2,-0.2 -2,-0.2 0.961 112.5 49.6 -54.9 -51.1 13.4 -5.4 61.1 73 73 A E H X S+ 0 0 109 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.914 113.3 47.8 -55.8 -43.0 11.4 -5.3 64.3 74 74 A T H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.904 112.0 48.2 -71.5 -40.9 13.7 -2.6 65.7 75 75 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.914 111.1 50.8 -66.0 -41.1 13.6 -0.5 62.6 76 76 A I H X S+ 0 0 34 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.940 111.4 48.6 -60.2 -45.9 9.7 -0.8 62.5 77 77 A E H X S+ 0 0 83 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.932 112.2 50.7 -53.8 -48.8 9.7 0.3 66.2 78 78 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.879 107.9 49.7 -58.9 -44.6 11.9 3.2 65.2 79 79 A I H X>S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 5,-0.7 0.934 109.5 52.1 -65.8 -47.2 9.9 4.4 62.3 80 80 A E H X5S+ 0 0 98 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.908 109.1 50.9 -51.3 -46.8 6.7 4.4 64.4 81 81 A E H <5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.6 40.4 -55.6 -41.2 8.5 6.5 67.1 82 82 A I H <5S+ 0 0 29 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.879 139.1 2.3 -82.4 -41.8 9.6 9.0 64.5 83 83 A I H ><5S- 0 0 18 -4,-3.0 3,-1.8 1,-0.2 2,-0.3 0.418 81.2-154.3-129.4 -4.1 6.6 9.3 62.2 84 84 A G T 3< - e 0 117A 3 -69,-1.7 3,-2.2 -2,-0.3 25,-0.2 -0.976 64.6 -39.0-116.0 133.9 21.3 0.4 49.7 94 94 A S E >> S+ e 0 119A 7 23,-1.7 26,-1.6 24,-0.7 4,-1.3 -0.233 137.3 1.1 60.2-127.2 22.7 -3.1 50.0 95 95 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.831 133.2 62.9 -65.3 -27.8 21.4 -4.7 53.2 96 96 A G H <> S+ 0 0 0 -3,-2.2 4,-2.1 -71,-0.3 -1,-0.3 0.863 101.1 50.6 -55.5 -42.4 19.5 -1.5 53.7 97 97 A G H <> S+ 0 0 0 -3,-1.0 4,-2.2 20,-0.2 -1,-0.2 0.772 106.5 55.0 -65.6 -33.0 17.6 -2.2 50.6 98 98 A Y H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.955 111.7 43.3 -64.5 -43.5 16.8 -5.7 51.8 99 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.878 109.7 57.9 -69.7 -37.5 15.3 -4.2 55.0 100 100 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.918 108.1 47.8 -55.3 -46.9 13.5 -1.5 52.8 101 101 A Q H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.938 110.6 49.9 -59.9 -47.5 11.9 -4.4 50.9 102 102 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.917 112.4 48.4 -58.2 -43.1 10.9 -6.2 54.2 103 103 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.941 111.6 48.4 -64.8 -48.2 9.4 -3.0 55.6 104 104 A A H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.862 111.1 52.0 -56.0 -41.4 7.4 -2.3 52.3 105 105 A F H < S+ 0 0 44 -4,-2.6 3,-0.5 -5,-0.2 -1,-0.2 0.911 117.9 36.3 -66.3 -37.3 6.2 -5.8 52.3 106 106 A H H < S+ 0 0 87 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.790 122.8 41.3 -87.7 -29.0 4.9 -5.5 56.0 107 107 A L S >X S+ 0 0 32 -4,-3.2 4,-1.5 -5,-0.2 3,-0.6 -0.414 72.8 153.5-112.9 56.5 3.7 -1.9 56.0 108 108 A K G >4 S+ 0 0 145 -3,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.912 71.3 44.2 -50.8 -53.8 2.1 -2.1 52.5 109 109 A D G 34 S+ 0 0 137 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.704 113.4 50.4 -69.6 -23.0 -0.5 0.7 53.2 110 110 A Q G <4 S+ 0 0 27 -3,-0.6 -22,-2.6 -6,-0.1 2,-0.5 0.652 92.4 91.7 -89.3 -15.0 1.9 3.1 54.9 111 111 A T E << -e 88 0A 4 -4,-1.5 -22,-0.2 -3,-0.6 3,-0.1 -0.720 47.1-178.1 -85.4 122.5 4.6 2.8 52.1 112 112 A L E - 0 0 39 -24,-3.1 2,-0.3 -2,-0.5 -23,-0.2 0.683 65.9 -29.3 -85.7 -22.7 4.5 5.4 49.2 113 113 A G E -e 89 0A 0 -25,-0.6 -23,-2.6 93,-0.2 2,-0.4 -0.933 52.2-131.7 169.6 155.0 7.4 4.1 47.2 114 114 A V E -ef 90 208A 0 93,-2.2 95,-2.6 -2,-0.3 2,-0.4 -0.999 13.4-175.4-136.1 131.8 10.7 2.3 47.3 115 115 A F E -ef 91 209A 0 -25,-2.0 -23,-2.1 -2,-0.4 2,-0.4 -0.998 13.0-175.3-131.0 124.8 14.0 3.2 45.7 116 116 A L E -ef 92 210A 0 93,-2.8 95,-1.6 -2,-0.4 2,-0.4 -0.926 16.1-160.0-125.6 142.4 16.9 0.8 46.0 117 117 A T E S-ef 93 211A 0 -25,-2.3 -23,-1.7 -2,-0.4 -20,-0.2 -0.995 80.6 -23.3-120.1 126.8 20.6 0.9 45.0 118 118 A C E S- 0 0 0 93,-3.0 -24,-0.7 -2,-0.4 2,-0.2 0.898 90.8-166.5 42.2 54.9 22.4 -2.3 44.7 119 119 A P E -e 94 0A 0 0, 0.0 2,-0.4 0, 0.0 -24,-0.2 -0.492 23.1-121.9 -76.1 147.1 20.0 -4.0 47.0 120 120 A V + 0 0 2 -26,-1.6 3,-0.2 -2,-0.2 99,-0.1 -0.636 39.4 159.8 -74.2 135.4 20.4 -7.4 48.6 121 121 A I S S+ 0 0 4 -2,-0.4 2,-0.6 1,-0.3 -1,-0.2 0.564 73.1 45.2-125.6 -41.8 17.5 -9.6 47.6 122 122 A T S S- 0 0 1 1,-0.1 -1,-0.3 97,-0.1 6,-0.1 -0.951 72.6-167.0-100.1 108.3 19.1 -12.9 48.4 123 123 A A + 0 0 0 -2,-0.6 2,-0.6 -3,-0.2 -1,-0.1 0.931 66.0 86.0 -62.5 -44.7 20.7 -12.4 51.9 124 124 A D >> - 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0 0 0 -4,-2.1 3,-0.1 -5,-0.3 85,-0.1 -0.199 54.1-165.5 -54.9 152.7 56.9 1.3 43.1 426 158 B V S S+ 0 0 0 1,-0.2 -22,-2.9 87,-0.2 2,-0.8 0.805 74.9 61.6-107.0 -59.2 56.8 2.3 39.5 427 159 B I E S-f 404 0D 12 82,-0.2 2,-0.7 -24,-0.2 -1,-0.2 -0.656 75.3-159.8 -77.5 107.4 56.2 -1.0 37.7 428 160 B I E +f 405 0D 4 -24,-2.9 -22,-2.2 -2,-0.8 -21,-1.2 -0.783 34.7 117.8 -98.8 110.7 52.9 -2.3 39.0 429 161 B N S > S- 0 0 26 -2,-0.7 4,-1.9 -23,-0.2 5,-0.2 -0.944 73.4 -91.1-156.1 172.5 52.2 -5.9 38.6 430 162 B N H > S+ 0 0 58 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.854 121.5 53.4 -61.5 -40.1 51.5 -9.0 40.7 431 163 B Q H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 109.1 51.3 -59.0 -42.6 55.2 -10.0 41.1 432 164 B A H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.904 108.6 49.8 -62.4 -46.5 56.0 -6.5 42.3 433 165 B W H X S+ 0 0 8 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.893 110.5 51.0 -56.8 -41.7 53.2 -6.6 44.9 434 166 B H H X S+ 0 0 104 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.890 111.9 46.3 -65.1 -37.8 54.5 -10.0 46.1 435 167 B D H X S+ 0 0 21 -4,-2.1 4,-3.5 2,-0.2 5,-0.4 0.869 109.5 54.8 -71.4 -37.6 58.1 -8.6 46.4 436 168 B Y H X>S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 5,-1.6 0.923 110.6 45.6 -60.2 -44.1 56.9 -5.5 48.2 437 169 B Q H <5S+ 0 0 26 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.893 119.0 42.0 -64.9 -40.9 55.1 -7.7 50.8 438 170 B N H <5S+ 0 0 83 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.932 127.6 28.1 -72.4 -44.4 58.1 -10.0 51.2 439 171 B L H <5S+ 0 0 10 -4,-3.5 -141,-0.4 -5,-0.1 4,-0.3 0.866 128.9 27.6 -88.3 -38.7 60.8 -7.3 51.2 440 172 B I T X5S+ 0 0 8 -4,-2.5 4,-2.0 -5,-0.4 3,-0.2 0.853 106.8 62.2-101.8 -45.0 59.3 -4.1 52.6 441 173 B I H > S+ 0 0 32 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.939 111.0 42.2 -53.7 -46.4 58.4 -6.8 57.6 443 175 B G H >> S+ 0 0 0 -4,-0.3 4,-1.6 -3,-0.2 3,-1.2 0.933 109.1 56.9 -62.4 -47.2 60.6 -3.8 58.4 444 176 B L H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.857 108.7 48.3 -57.4 -33.8 57.7 -1.3 58.2 445 177 B Q H 3< S+ 0 0 114 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.702 114.5 45.7 -74.3 -27.2 55.9 -3.2 60.9 446 178 B K H << S+ 0 0 96 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.665 79.4 122.4 -89.9 -17.9 58.9 -3.5 63.2 447 179 B E < - 0 0 42 -4,-1.6 2,-1.2 -151,-0.3 -122,-0.2 -0.077 67.3-124.0 -59.9 144.4 60.3 0.1 63.1 448 180 B D > - 0 0 62 -124,-2.9 4,-2.6 1,-0.2 5,-0.2 -0.760 30.1-163.1 -85.8 98.7 60.7 1.9 66.4 449 181 B K H > S+ 0 0 112 -2,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.865 82.1 49.6 -59.7 -44.7 58.6 4.8 65.3 450 182 B T H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 112.0 51.2 -60.8 -41.2 59.7 7.3 68.0 451 183 B F H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.954 110.6 47.5 -60.2 -46.8 63.3 6.4 67.2 452 184 B I H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.914 111.5 50.7 -63.4 -42.7 62.8 7.0 63.5 453 185 B D H < S+ 0 0 64 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.937 114.5 42.8 -60.3 -46.2 61.0 10.3 64.0 454 186 B Q H >X S+ 0 0 92 -4,-2.3 3,-1.5 1,-0.2 4,-0.8 0.911 110.9 56.7 -70.6 -38.9 63.8 11.6 66.3 455 187 B L H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.3 -119,-0.3 0.891 101.9 55.1 -57.1 -44.2 66.5 10.3 64.0 456 188 B Q T 3< S+ 0 0 67 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.631 101.0 60.1 -70.9 -9.8 65.1 12.3 61.1 457 189 B N T <4 S+ 0 0 114 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.672 118.4 29.6 -82.5 -19.9 65.4 15.4 63.3 458 190 B N S << S+ 0 0 91 -3,-1.4 -122,-2.3 -4,-0.8 -121,-0.4 -0.355 87.0 132.8-132.0 55.7 69.2 14.7 63.5 459 191 B Y + 0 0 13 -3,-0.5 2,-0.3 -124,-0.2 -1,-0.1 0.735 41.1 81.2 -91.6 -29.8 69.6 13.0 60.2 460 192 B S S S- 0 0 47 -3,-0.1 -123,-0.3 -4,-0.1 -124,-0.2 -0.586 78.1-119.7 -80.7 141.1 72.5 14.6 58.6 461 193 B F > - 0 0 3 -2,-0.3 3,-1.3 -125,-0.2 4,-0.2 -0.415 22.3-124.4 -65.1 150.4 76.0 13.6 59.4 462 194 B T T 3 S+ 0 0 99 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.831 114.0 44.4 -67.3 -25.3 78.0 16.4 60.7 463 195 B F T >> S+ 0 0 17 1,-0.2 3,-1.6 2,-0.1 4,-0.7 0.118 74.9 126.2-100.7 23.3 80.5 15.7 57.9 464 196 B E H X> + 0 0 14 -3,-1.3 3,-1.1 1,-0.3 4,-0.9 0.807 65.5 61.5 -54.2 -36.1 78.0 15.2 55.1 465 197 B E H 3> S+ 0 0 114 1,-0.3 4,-0.7 -3,-0.2 3,-0.3 0.817 97.5 60.0 -69.0 -27.3 79.6 17.7 52.7 466 198 B K H X> S+ 0 0 123 -3,-1.6 4,-0.8 1,-0.2 3,-0.5 0.822 98.1 58.6 -64.2 -34.3 82.8 15.7 52.7 467 199 B L H << S+ 0 0 0 -3,-1.1 3,-0.3 -4,-0.7 -1,-0.2 0.794 101.0 56.5 -67.3 -28.0 80.9 12.7 51.3 468 200 B K H 3< S+ 0 0 62 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.769 115.2 37.3 -75.7 -21.3 79.9 14.8 48.3 469 201 B N H << S+ 0 0 120 -4,-0.7 2,-0.2 -3,-0.5 -1,-0.2 0.404 85.2 117.0-114.0 2.7 83.5 15.5 47.6 470 202 B I < - 0 0 27 -4,-0.8 2,-0.8 -3,-0.3 28,-0.1 -0.545 50.5-152.1 -73.1 136.5 85.3 12.3 48.4 471 203 B N - 0 0 65 -2,-0.2 28,-0.1 28,-0.1 -1,-0.1 -0.877 24.9-142.5-104.1 94.1 87.1 10.5 45.5 472 204 B Y - 0 0 4 -2,-0.8 29,-0.5 1,-0.1 28,-0.2 -0.202 5.9-139.6 -60.5 146.0 87.0 6.9 46.7 473 205 B Q S S+ 0 0 114 -97,-0.1 -1,-0.1 2,-0.1 26,-0.0 -0.191 81.3 46.1-104.9 43.2 90.0 4.7 46.0 474 206 B F S S- 0 0 16 -92,-0.0 27,-0.2 2,-0.0 -93,-0.2 -0.951 107.6 -53.6-164.1 169.3 88.0 1.6 45.1 475 207 B P - 0 0 22 0, 0.0 -93,-2.5 0, 0.0 2,-0.4 -0.275 48.8-177.4 -56.4 132.9 84.9 0.7 43.0 476 208 B F E +vw 382 502C 0 25,-1.8 27,-2.7 -95,-0.2 2,-0.4 -0.948 6.8 179.3-139.6 101.8 81.9 2.9 43.9 477 209 B K E -vw 383 503C 0 -95,-2.5 -93,-3.1 -2,-0.4 2,-0.4 -0.937 6.9-169.7-120.7 129.9 78.8 1.9 41.9 478 210 B I E -vw 384 504C 0 25,-2.5 27,-2.0 -2,-0.4 2,-0.4 -0.981 9.7-160.2-123.6 134.0 75.3 3.5 42.2 479 211 B X E +vw 385 505C 0 -95,-2.9 -93,-3.0 -2,-0.4 2,-0.3 -0.959 23.4 171.7-105.5 128.2 72.0 2.4 40.7 480 212 B V E - w 0 506C 0 25,-2.9 27,-1.9 -2,-0.4 2,-0.4 -0.972 23.7-133.4-135.9 152.4 69.3 5.1 40.5 481 213 B G E > - w 0 507C 0 7,-0.4 3,-1.3 -2,-0.3 27,-0.2 -0.874 12.5-138.1-108.6 143.0 65.8 5.5 39.0 482 214 B R T 3 S+ 0 0 17 25,-3.1 -82,-0.6 -2,-0.4 29,-0.2 0.818 106.9 49.0 -57.0 -31.7 64.5 8.4 36.9 483 215 B N T 3 S+ 0 0 18 27,-3.0 2,-0.8 24,-0.4 29,-0.3 0.161 75.8 127.3-104.3 21.4 61.2 8.2 38.8 484 216 B D <> + 0 0 0 -3,-1.3 -85,-3.3 27,-0.3 4,-0.7 -0.692 29.3 177.0 -83.4 106.9 62.7 8.2 42.3 485 217 B Q T 4 S+ 0 0 57 -2,-0.8 -1,-0.2 -87,-0.2 -87,-0.1 0.411 75.4 58.2 -90.3 -0.4 60.9 11.0 44.2 486 218 B V T 4 S- 0 0 37 -62,-0.1 -1,-0.1 2,-0.1 -90,-0.1 0.888 132.0 -4.4 -96.4 -50.8 62.7 10.2 47.5 487 219 B V T 4 S- 0 0 3 1,-0.2 4,-0.3 -99,-0.1 5,-0.2 0.459 86.6-161.1-122.1 -10.0 66.4 10.6 46.4 488 220 B G < - 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