==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-11 3VGD . COMPND 2 MOLECULE: MALTO-OLIGOSYLTREHALOSE TREHALOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR N.OKAZAKI,T.TAMADA,M.D.FEESE,M.KATO,Y.MIURA,T.KOMEDA,K.KOBAY . 553 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 41 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 1 2 1 1 0 0 1 1 2 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 4 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 PARALLEL BRIDGES PER LADDER . 1 5 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 1 2 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 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 3 A A 0 0 47 0, 0.0 11,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 177.0 -9.5 39.4 8.7 2 4 A Y E -A 11 0A 3 9,-0.2 2,-0.4 66,-0.2 9,-0.2 -0.942 360.0-154.2-121.5 150.9 -12.4 41.7 9.6 3 5 A K E -A 10 0A 106 7,-1.8 7,-2.3 -2,-0.3 2,-0.5 -0.992 11.4-141.2-126.0 124.0 -12.5 45.5 9.5 4 6 A I E -A 9 0A 53 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.737 22.4-176.5 -79.2 121.6 -14.9 47.6 11.6 5 7 A D E > -A 8 0A 89 3,-3.5 3,-1.8 -2,-0.5 2,-0.6 -0.785 57.5 -65.1-128.7 88.3 -16.0 50.5 9.4 6 8 A G T 3 S- 0 0 74 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.635 118.5 -18.1 67.2-112.9 -18.2 52.9 11.3 7 9 A N T 3 S+ 0 0 137 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.2 0.432 129.9 71.7-103.2 -4.7 -21.3 50.7 12.0 8 10 A E E < -A 5 0A 79 -3,-1.8 -3,-3.5 39,-0.1 2,-0.4 -0.656 64.6-150.8-105.3 167.5 -20.6 48.0 9.4 9 11 A V E -AB 4 45A 4 36,-2.6 36,-2.4 -5,-0.2 2,-0.5 -0.984 4.7-147.7-143.0 130.3 -17.9 45.3 9.3 10 12 A I E -AB 3 44A 45 -7,-2.3 -7,-1.8 -2,-0.4 2,-0.5 -0.841 8.9-152.3-104.4 127.6 -16.3 43.7 6.2 11 13 A F E -AB 2 43A 1 32,-2.6 32,-1.2 -2,-0.5 2,-0.5 -0.858 11.6-171.8-100.3 129.9 -15.2 40.0 6.3 12 14 A T E + B 0 42A 42 -11,-2.7 2,-0.4 -2,-0.5 30,-0.2 -0.982 5.9 177.3-127.1 123.2 -12.3 39.0 4.1 13 15 A L E - B 0 41A 3 28,-2.8 28,-3.3 -2,-0.5 2,-0.7 -0.983 20.6-145.8-128.0 120.8 -11.2 35.4 3.5 14 16 A W E + B 0 40A 12 -2,-0.4 26,-0.2 26,-0.2 25,-0.1 -0.759 38.0 146.7 -85.3 115.1 -8.4 34.3 1.2 15 17 A A > + 0 0 0 24,-2.4 3,-2.3 -2,-0.7 186,-0.2 -0.313 14.5 165.2-152.4 67.0 -9.4 30.9 -0.3 16 18 A P T 3 S+ 0 0 18 0, 0.0 185,-0.2 0, 0.0 -1,-0.1 0.755 80.9 60.5 -51.3 -34.1 -8.2 30.2 -3.9 17 19 A Y T 3 S+ 0 0 107 183,-2.4 2,-0.4 22,-0.1 184,-0.1 0.604 93.8 85.2 -69.5 -12.1 -9.0 26.4 -3.5 18 20 A Q < - 0 0 12 -3,-2.3 3,-0.2 182,-0.5 -3,-0.1 -0.782 56.6-165.7-106.8 132.8 -12.6 27.2 -2.9 19 21 A K S S+ 0 0 147 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.855 82.4 2.4 -78.4 -38.0 -15.4 27.8 -5.4 20 22 A S - 0 0 40 14,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.972 63.9-165.8-154.9 134.4 -17.8 29.3 -2.9 21 23 A V - 0 0 0 -2,-0.3 12,-1.6 12,-0.3 2,-0.4 -0.974 7.1-153.1-127.1 139.3 -17.7 30.2 0.7 22 24 A K E -DE 32 57B 55 35,-2.4 35,-2.8 -2,-0.4 2,-0.6 -0.873 13.4-135.8-107.1 139.5 -20.5 31.1 3.2 23 25 A L E -DE 31 56B 0 8,-2.8 8,-2.7 -2,-0.4 2,-0.7 -0.856 18.7-162.2 -87.6 124.1 -20.2 33.3 6.3 24 26 A K E -DE 30 55B 59 31,-2.9 31,-2.1 -2,-0.6 2,-0.8 -0.937 3.6-168.0-109.1 107.1 -22.0 31.6 9.2 25 27 A V E >> -DE 29 54B 3 4,-1.8 3,-2.4 -2,-0.7 4,-1.0 -0.896 35.4-112.4 -94.4 112.8 -22.7 34.1 11.9 26 28 A L T 34 S- 0 0 52 27,-1.6 27,-0.3 -2,-0.8 4,-0.0 -0.164 95.3 -0.3 -50.6 126.3 -23.8 32.0 14.9 27 29 A E T 34 S+ 0 0 206 1,-0.1 -1,-0.3 25,-0.1 -3,-0.0 0.664 129.8 64.5 65.3 18.9 -27.5 32.6 15.6 28 30 A K T <4 S- 0 0 89 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.471 98.1 -54.1-128.1 -71.7 -27.9 35.2 12.8 29 31 A G E < -D 25 0B 19 -4,-1.0 -4,-1.8 2,-0.0 2,-0.4 -0.886 29.2-109.1-155.3-175.3 -27.4 34.0 9.3 30 32 A L E -D 24 0B 117 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.994 39.0-168.3-122.6 125.5 -25.6 32.2 6.4 31 33 A Y E -D 23 0B 61 -8,-2.7 -8,-2.8 -2,-0.4 -2,-0.0 -0.967 19.8-128.9-129.5 119.0 -24.3 34.7 3.9 32 34 A E E -D 22 0B 114 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.338 29.9-138.7 -57.0 138.7 -22.9 34.0 0.4 33 35 A M - 0 0 13 -12,-1.6 2,-0.3 10,-0.1 -12,-0.3 -0.790 9.5-117.5-107.8 150.5 -19.6 35.7 -0.2 34 36 A E E -C 42 0A 150 8,-2.9 8,-2.5 -2,-0.3 2,-0.5 -0.685 26.4-145.5 -86.0 138.4 -18.3 37.5 -3.2 35 37 A R E -C 41 0A 93 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.910 7.5-161.1-113.7 116.3 -15.2 36.1 -5.0 36 38 A D > - 0 0 70 4,-2.4 3,-1.5 -2,-0.5 0, 0.0 -0.395 39.5-101.8 -82.0 171.5 -12.5 38.1 -6.8 37 39 A E T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.688 121.6 58.5 -78.0 -17.8 -10.2 36.4 -9.3 38 40 A K T 3 S- 0 0 109 2,-0.1 -1,-0.3 184,-0.0 -3,-0.0 0.470 123.0-108.0 -79.1 -4.3 -7.2 36.1 -6.9 39 41 A G < + 0 0 0 -3,-1.5 -24,-2.4 1,-0.3 2,-0.3 0.627 67.6 148.8 89.0 14.0 -9.7 34.1 -4.8 40 42 A Y E -B 14 0A 45 -26,-0.2 -4,-2.4 -25,-0.1 2,-0.4 -0.656 35.1-148.6 -72.6 130.2 -10.3 36.6 -2.0 41 43 A F E +BC 13 35A 1 -28,-3.3 -28,-2.8 -2,-0.3 2,-0.3 -0.918 21.9 176.8-105.2 133.8 -13.9 36.2 -0.6 42 44 A T E +BC 12 34A 45 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.3 -0.929 19.5 165.4-135.2 155.9 -15.7 39.3 0.8 43 45 A I E -B 11 0A 29 -32,-1.2 -32,-2.6 -2,-0.3 2,-0.5 -0.892 23.6-143.1-155.5 147.4 -19.0 40.6 2.3 44 46 A T E -B 10 0A 65 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.2 -0.957 25.2-164.8-108.3 130.7 -19.9 43.8 4.2 45 47 A L E -B 9 0A 11 -36,-2.4 -36,-2.6 -2,-0.5 3,-0.1 -0.912 24.3-169.3-124.8 150.1 -22.4 43.4 7.0 46 48 A N S S+ 0 0 120 -2,-0.3 -1,-0.1 -38,-0.2 -36,-0.0 0.645 82.4 58.8-104.4 -27.6 -24.6 45.7 9.0 47 49 A N S S+ 0 0 56 -38,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.082 78.1 108.3-101.6 20.5 -26.0 43.5 11.8 48 50 A V - 0 0 8 -41,-0.2 2,-0.3 -3,-0.1 3,-0.0 -0.857 42.9-179.8-105.2 132.6 -22.7 42.3 13.3 49 51 A K > - 0 0 138 -2,-0.4 3,-2.2 1,-0.1 33,-0.2 -0.865 41.6 -73.3-124.8 160.0 -21.5 43.6 16.8 50 52 A V T 3 S+ 0 0 77 -2,-0.3 33,-0.2 1,-0.2 3,-0.1 -0.220 119.7 31.2 -41.5 134.0 -18.6 43.1 19.1 51 53 A R T 3 S+ 0 0 199 31,-2.7 -1,-0.2 1,-0.3 32,-0.1 0.203 83.9 136.6 91.2 -11.9 -18.9 39.6 20.7 52 54 A D < - 0 0 30 -3,-2.2 30,-2.3 29,-0.1 2,-0.3 -0.312 46.6-136.1 -62.9 148.4 -20.6 37.9 17.7 53 55 A R E + F 0 81B 81 -27,-0.3 -27,-1.6 28,-0.2 2,-0.3 -0.831 27.3 172.2-109.8 147.6 -19.3 34.4 16.8 54 56 A Y E -EF 25 80B 2 26,-2.4 26,-2.7 -2,-0.3 12,-0.3 -0.977 18.3-175.7-149.7 162.9 -18.6 33.1 13.3 55 57 A K E -E 24 0B 34 -31,-2.1 -31,-2.9 -2,-0.3 2,-0.4 -0.940 27.4-118.9-145.3 169.3 -17.3 30.4 11.1 56 58 A Y E -EG 23 64B 0 8,-2.9 8,-2.9 -2,-0.3 2,-0.5 -0.920 20.1-149.6-110.1 139.3 -16.7 29.9 7.3 57 59 A V E -EG 22 63B 10 -35,-2.8 -35,-2.4 -2,-0.4 6,-0.2 -0.951 18.7-150.7-115.4 127.1 -18.5 27.1 5.5 58 60 A L > - 0 0 1 4,-2.9 3,-1.9 -2,-0.5 -37,-0.1 -0.183 32.8 -84.7 -94.2 177.9 -16.7 25.7 2.5 59 61 A D T 3 S+ 0 0 66 1,-0.3 -38,-0.0 2,-0.1 -41,-0.0 0.863 126.7 51.9 -42.8 -51.3 -17.6 24.0 -0.8 60 62 A D T 3 S- 0 0 95 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.047 119.7-107.9 -83.9 23.5 -17.8 20.5 0.9 61 63 A A S < S+ 0 0 74 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.211 75.6 138.1 71.6 -14.5 -20.3 21.9 3.5 62 64 A S - 0 0 34 -5,-0.1 -4,-2.9 1,-0.1 2,-0.4 -0.233 46.3-136.3 -64.3 151.6 -17.5 21.7 6.3 63 65 A E E +G 57 0B 86 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.925 23.7 178.7-119.3 134.5 -17.2 24.6 8.8 64 66 A I E -G 56 0B 1 -8,-2.9 -8,-2.9 -2,-0.4 16,-0.2 -0.950 29.3-108.8-135.3 151.6 -14.0 26.2 9.9 65 67 A P - 0 0 2 0, 0.0 -10,-0.1 0, 0.0 131,-0.1 -0.314 52.1 -86.6 -68.9 163.8 -12.8 29.0 12.2 66 68 A D > - 0 0 1 -12,-0.3 3,-2.6 1,-0.2 15,-0.1 -0.610 30.6-145.8 -72.7 119.1 -11.3 32.2 10.6 67 69 A P T 3 S+ 0 0 13 0, 0.0 88,-0.4 0, 0.0 87,-0.3 0.814 104.7 46.4 -62.3 -24.1 -7.6 31.5 10.1 68 70 A A T 3 S+ 0 0 8 86,-0.1 -66,-0.2 85,-0.1 85,-0.1 0.126 87.7 155.9 -99.6 18.9 -7.1 35.2 10.9 69 71 A S < - 0 0 0 -3,-2.6 86,-0.4 1,-0.1 3,-0.1 -0.098 38.0-155.3 -41.3 136.5 -9.3 34.9 13.9 70 72 A R S S+ 0 0 15 11,-0.5 87,-0.9 1,-0.3 2,-0.3 0.516 80.1 18.2 -93.8 -8.3 -8.7 37.5 16.6 71 73 A Y - 0 0 51 85,-0.2 10,-1.6 10,-0.2 -1,-0.3 -0.871 52.1-166.1-167.3 128.3 -10.2 35.3 19.3 72 74 A Q > + 0 0 0 85,-0.4 3,-1.9 -2,-0.3 87,-0.4 -0.793 13.7 178.0-114.2 82.1 -11.0 31.6 19.7 73 75 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.824 83.7 37.1 -59.8 -30.6 -13.2 31.5 22.8 74 76 A E T 3 S- 0 0 118 5,-0.6 3,-0.4 1,-0.4 4,-0.1 0.004 118.7-104.9-110.9 29.3 -13.7 27.7 22.6 75 77 A G X - 0 0 10 -3,-1.9 3,-1.0 1,-0.2 -1,-0.4 -0.269 64.1 -30.0 83.1-166.9 -10.2 26.7 21.4 76 78 A V T 3 S+ 0 0 5 1,-0.3 -1,-0.2 65,-0.2 64,-0.0 0.570 137.1 38.1 -68.7 -15.3 -8.8 25.7 18.0 77 79 A H T 3 S+ 0 0 78 -3,-0.4 -1,-0.3 -13,-0.1 -2,-0.1 0.426 100.1 91.1-114.9 -3.8 -12.0 24.0 16.6 78 80 A G S < S- 0 0 9 -3,-1.0 -3,-0.1 1,-0.2 0, 0.0 -0.205 87.2 -71.7 -84.2 178.2 -14.6 26.5 18.0 79 81 A P - 0 0 10 0, 0.0 -5,-0.6 0, 0.0 -24,-0.2 -0.253 45.7-114.5 -68.2 158.1 -16.0 29.6 16.4 80 82 A S E -F 54 0B 0 -26,-2.7 -26,-2.4 -16,-0.2 2,-0.4 -0.549 31.9-140.5 -82.5 158.9 -14.1 32.8 15.9 81 83 A Q E -F 53 0B 22 -10,-1.6 -11,-0.5 -28,-0.2 2,-0.4 -0.969 8.2-124.1-131.8 144.3 -15.2 35.9 17.8 82 84 A I - 0 0 4 -30,-2.3 -31,-2.7 -2,-0.4 2,-0.3 -0.680 36.0-173.7 -79.6 127.6 -15.5 39.7 17.0 83 85 A I - 0 0 14 -2,-0.4 -12,-0.0 -33,-0.2 -33,-0.0 -0.885 30.8 -82.4-125.3 158.6 -13.5 41.8 19.4 84 86 A Q - 0 0 103 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.167 43.7-121.2 -46.4 137.5 -13.1 45.6 20.2 85 87 A E 0 0 78 1,-0.1 -1,-0.1 -82,-0.0 155,-0.0 -0.451 360.0 360.0 -75.9 164.6 -10.6 47.4 18.0 86 88 A S 0 0 92 -2,-0.1 -1,-0.1 0, 0.0 155,-0.1 -0.400 360.0 360.0 -72.6 360.0 -7.8 49.0 20.0 87 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 88 91 A F 0 0 113 0, 0.0 2,-0.2 0, 0.0 151,-0.1 0.000 360.0 360.0 360.0 151.1 -0.7 52.5 20.3 89 92 A N - 0 0 85 149,-0.2 153,-0.0 1,-0.1 3,-0.0 -0.495 360.0-137.7 -80.0 145.5 2.5 54.5 20.9 90 93 A N S S+ 0 0 119 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.792 87.9 33.1 -74.8 -21.3 4.5 55.7 18.0 91 94 A E S S- 0 0 120 184,-0.0 2,-0.4 0, 0.0 184,-0.1 -0.967 74.4-127.8-130.1 142.0 7.7 54.6 19.8 92 95 A T - 0 0 8 182,-1.2 88,-0.0 -2,-0.3 151,-0.0 -0.782 16.3-145.4 -77.5 135.5 8.9 51.9 22.2 93 96 A F + 0 0 102 -2,-0.4 -1,-0.1 86,-0.1 2,-0.1 0.605 68.6 112.0 -73.0 -12.8 10.6 53.5 25.2 94 97 A L - 0 0 17 85,-0.1 2,-0.5 1,-0.0 -2,-0.1 -0.403 57.8-153.5 -59.1 133.3 13.0 50.4 25.2 95 98 A K > - 0 0 123 1,-0.1 3,-3.0 -2,-0.1 4,-0.3 -0.973 15.3-136.3-110.8 122.1 16.6 51.1 24.2 96 99 A K G > S+ 0 0 45 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.815 102.2 54.4 -46.5 -37.9 18.2 48.1 22.7 97 100 A E G 3 S+ 0 0 87 1,-0.3 -1,-0.3 390,-0.1 390,-0.1 0.477 105.3 50.4 -82.2 -3.1 21.4 48.7 24.8 98 101 A D G < S+ 0 0 90 -3,-3.0 2,-0.3 33,-0.0 -1,-0.3 0.216 83.9 135.1-105.6 10.0 19.7 48.8 28.2 99 102 A L < + 0 0 2 -3,-1.2 2,-0.4 -4,-0.3 31,-0.1 -0.462 23.2 166.0 -72.7 120.3 17.9 45.5 27.4 100 103 A I - 0 0 2 -2,-0.3 31,-2.4 307,-0.1 32,-1.8 -0.976 26.7-153.3-127.2 114.8 17.9 42.9 30.1 101 104 A I E -hi 132 409C 0 307,-2.8 309,-3.2 -2,-0.4 2,-0.5 -0.673 14.6-162.0-102.2 145.6 15.3 40.3 29.1 102 105 A Y E -hi 133 410C 0 30,-1.8 32,-3.0 -2,-0.3 2,-0.5 -0.976 16.3-142.3-127.9 115.3 13.2 37.9 31.2 103 106 A E E -hi 134 411C 0 307,-3.2 309,-2.1 -2,-0.5 2,-0.4 -0.693 21.4-172.8 -87.5 126.4 11.7 34.9 29.5 104 107 A I E -h 135 0C 0 30,-3.2 32,-2.4 -2,-0.5 2,-0.7 -0.945 23.4-160.6-124.0 127.7 8.2 33.9 30.7 105 108 A H >> - 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0 0 32 70,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.978 55.1-150.8-135.9 115.1 25.4 34.0 9.9 286 289 A P G >> S+ 0 0 8 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.541 83.4 87.2 -67.7 -9.6 25.7 37.8 10.5 287 290 A R G 34 S+ 0 0 110 1,-0.2 10,-3.1 2,-0.2 11,-0.5 0.809 80.2 64.6 -59.0 -27.9 23.4 38.5 7.5 288 291 A V G <4 S+ 0 0 0 -3,-1.6 11,-1.9 8,-0.2 -1,-0.2 0.932 119.7 20.5 -59.8 -43.0 20.4 38.1 9.9 289 292 A V T <4 S+ 0 0 2 -3,-0.5 -2,-0.2 -4,-0.3 -1,-0.2 0.530 97.1 112.0-106.7 -7.8 21.6 41.2 11.9 290 293 A N S < S- 0 0 25 -4,-2.5 8,-2.3 1,-0.1 9,-0.2 -0.326 75.5-104.9 -61.7 146.8 23.8 43.0 9.4 291 294 A P > > - 0 0 38 0, 0.0 5,-2.2 0, 0.0 3,-1.4 -0.313 33.2-106.0 -64.1 160.4 22.5 46.3 8.1 292 295 A K G > 5S+ 0 0 81 1,-0.3 3,-2.0 3,-0.2 -2,-0.1 0.798 119.8 63.3 -56.8 -33.9 21.0 46.3 4.5 293 296 A E G 3 5S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.723 104.6 48.4 -66.7 -23.0 24.1 48.2 3.2 294 297 A K G < 5S- 0 0 132 -3,-1.4 -1,-0.3 -7,-0.1 -2,-0.2 -0.025 128.3-100.6-103.3 28.2 26.1 45.1 4.2 295 298 A C T < 5S+ 0 0 112 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.627 81.9 131.3 71.2 15.2 23.6 42.7 2.5 296 299 A G S > + 0 0 2 63,-2.4 3,-1.0 -2,-0.2 4,-0.8 -0.865 15.3 179.6-119.5 92.8 23.7 33.1 20.1 305 308 A D H 3> S+ 0 0 37 -2,-0.5 4,-3.3 -24,-0.3 5,-0.3 0.752 75.3 74.9 -60.6 -26.1 23.5 29.4 21.4 306 309 A D H 3> S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.855 93.7 51.9 -57.8 -34.9 27.3 29.1 21.1 307 310 A F H <> S+ 0 0 0 -3,-1.0 4,-1.9 2,-0.2 3,-0.2 0.987 113.5 41.6 -69.1 -57.6 27.7 31.2 24.3 308 311 A H H X S+ 0 0 2 -4,-0.8 4,-3.1 1,-0.2 5,-0.2 0.902 115.9 51.4 -46.9 -51.5 25.3 29.1 26.4 309 312 A H H X S+ 0 0 7 -4,-3.3 4,-2.6 1,-0.2 5,-0.3 0.856 107.3 51.1 -62.8 -35.5 26.7 25.8 25.0 310 313 A S H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 22,-0.3 0.917 115.9 41.8 -72.8 -37.2 30.3 26.7 25.7 311 314 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.971 117.6 46.4 -71.6 -51.1 29.5 27.6 29.3 312 315 A H H X S+ 0 0 3 -4,-3.1 4,-2.6 1,-0.2 6,-0.4 0.923 114.7 45.5 -55.5 -53.7 27.1 24.6 29.8 313 316 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.892 115.9 47.1 -61.0 -40.9 29.4 22.0 28.3 314 317 A Y H < S+ 0 0 48 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.976 118.4 39.5 -65.4 -51.1 32.5 23.3 30.1 315 318 A L H < S+ 0 0 27 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.798 124.3 35.7 -69.8 -32.5 30.8 23.5 33.5 316 319 A T H < S- 0 0 31 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.683 93.9-129.4 -96.3 -23.1 28.7 20.3 33.4 317 320 A G < + 0 0 47 -4,-1.6 2,-0.2 -5,-0.3 -4,-0.1 0.433 56.7 148.8 81.5 1.5 31.1 17.9 31.5 318 321 A E + 0 0 36 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.459 21.8 165.8 -73.0 138.3 28.2 17.0 29.1 319 322 A R + 0 0 103 -2,-0.2 5,-0.4 -3,-0.1 -1,-0.1 0.218 33.1 126.0-134.3 7.0 29.0 16.2 25.4 320 323 A Q S > S- 0 0 99 3,-0.2 3,-2.0 2,-0.1 4,-0.1 -0.387 76.3 -18.9 -72.5 151.4 25.6 14.6 24.3 321 324 A G G > S- 0 0 45 1,-0.3 3,-1.6 2,-0.2 4,-0.2 -0.211 138.6 -3.7 51.2-132.2 23.9 16.0 21.1 322 325 A Y G > S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.655 121.5 77.4 -66.6 -12.5 25.1 19.5 20.2 323 326 A Y G X S+ 0 0 6 -3,-2.0 3,-2.5 1,-0.3 -1,-0.3 0.762 75.8 77.7 -68.5 -20.3 27.4 19.7 23.3 324 327 A T G < S+ 0 0 69 -3,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.760 86.9 59.6 -56.8 -25.2 29.9 17.5 21.5 325 328 A D G < S+ 0 0 10 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.458 113.2 38.5 -82.1 -2.6 30.9 20.5 19.5 326 329 A F < + 0 0 15 -3,-2.5 -16,-0.1 -8,-0.1 -15,-0.0 -0.636 52.6 114.3-130.7-174.6 31.9 22.3 22.8 327 330 A G + 0 0 4 1,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.111 51.9 103.1 135.3 -22.8 33.6 21.6 26.2 328 331 A N S >> S- 0 0 105 1,-0.1 3,-1.2 4,-0.0 4,-0.8 -0.568 71.9-125.8 -89.6 153.5 36.9 23.4 26.4 329 332 A L H >> S+ 0 0 13 1,-0.2 4,-1.8 -2,-0.2 3,-0.8 0.898 111.3 68.5 -56.6 -43.5 37.6 26.6 28.3 330 333 A D H 3> S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.774 92.1 59.6 -41.3 -36.1 38.9 27.9 25.0 331 334 A D H <> S+ 0 0 15 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.891 103.1 49.5 -70.3 -40.6 35.2 27.9 23.7 332 335 A I H > -R 352 0F 0 5,-2.6 4,-1.4 1,-0.1 5,-1.2 -0.935 12.0-164.0-109.5 117.9 31.4 20.9 13.2 348 351 A N T 45S+ 0 0 114 -2,-0.6 -1,-0.1 2,-0.2 -23,-0.1 0.829 94.0 53.7 -66.4 -31.9 31.4 17.2 14.0 349 352 A F T 45S+ 0 0 81 1,-0.2 -1,-0.2 -27,-0.1 -27,-0.1 0.936 118.9 32.5 -67.2 -45.7 27.9 17.5 15.2 350 353 A R T 45S- 0 0 59 2,-0.2 -2,-0.2 -28,-0.1 -1,-0.2 0.569 99.6-133.9 -88.1 -11.3 26.6 19.0 11.9 351 354 A R T <5S+ 0 0 190 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.852 74.9 72.9 54.6 41.1 29.1 17.2 9.7 352 355 A K E - 0 0 9 -20,-0.4 3,-1.1 1,-0.3 2,-0.2 0.519 27.3-154.8 -99.6 -11.4 30.6 38.5 12.7 359 362 A G T 3 - 0 0 43 1,-0.2 -1,-0.3 -21,-0.1 0, 0.0 -0.450 60.0 -25.8 69.3-139.6 33.0 41.4 12.0 360 363 A E T 3 S+ 0 0 180 -2,-0.2 -1,-0.2 2,-0.0 130,-0.1 0.287 85.8 143.8 -97.2 7.8 32.8 44.6 14.2 361 364 A L < - 0 0 23 -3,-1.1 -3,-0.1 1,-0.1 -71,-0.0 -0.235 52.7-119.0 -44.6 128.9 29.1 44.2 15.1 362 365 A D > - 0 0 80 1,-0.1 3,-1.6 2,-0.1 127,-0.2 -0.200 26.1 -96.7 -74.9 171.3 28.8 45.5 18.6 363 366 A G G > S+ 0 0 0 125,-3.1 3,-1.5 1,-0.3 44,-0.7 0.722 113.1 70.7 -66.0 -25.1 27.5 43.3 21.5 364 367 A a G 3 S+ 0 0 2 1,-0.3 -1,-0.3 124,-0.3 42,-0.1 0.341 82.1 72.7 -81.1 10.1 23.9 44.5 21.4 365 368 A N G < S+ 0 0 19 -3,-1.6 -63,-1.9 123,-0.1 2,-0.4 0.298 98.1 63.1 -89.6 7.1 23.3 42.6 18.1 366 369 A F E < -n 302 0C 0 -3,-1.5 41,-2.7 -65,-0.3 2,-0.4 -0.972 65.6-153.9-136.6 144.1 23.4 39.4 20.2 367 370 A V E -no 303 407C 0 -65,-3.1 -63,-2.4 -2,-0.4 2,-0.3 -0.953 16.2-177.3-118.9 136.3 21.5 37.8 23.0 368 371 A V E + o 0 408C 0 39,-2.9 41,-2.4 -2,-0.4 2,-0.3 -0.821 7.2 163.0-128.9 169.5 22.9 35.3 25.5 369 372 A Y - 0 0 0 -2,-0.3 41,-0.1 -65,-0.3 3,-0.1 -0.956 37.9-141.5-172.3 155.6 21.7 33.2 28.4 370 373 A I S S+ 0 0 1 39,-0.4 2,-0.3 -2,-0.3 15,-0.1 0.447 94.5 29.2-103.7 -11.4 22.6 30.2 30.5 371 374 A Q + 0 0 4 38,-0.5 2,-0.3 13,-0.1 -1,-0.3 -0.997 61.5 145.4-145.5 147.4 18.9 29.1 30.6 372 375 A N > - 0 0 0 -2,-0.3 4,-1.7 -3,-0.1 5,-0.4 -0.935 62.3 -81.0-165.0 175.0 15.8 29.3 28.4 373 376 A H H > S+ 0 0 1 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.783 126.7 42.5 -54.3 -33.9 12.8 27.1 27.5 374 377 A D H > S+ 0 0 32 3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 110.7 51.9 -79.1 -47.6 14.8 25.0 25.0 375 378 A Q H 4 S+ 0 0 7 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.673 126.2 27.7 -69.8 -19.7 18.0 24.5 26.9 376 379 A V H >< S+ 0 0 0 -4,-1.7 3,-1.3 2,-0.1 -2,-0.2 0.798 124.9 45.8 -96.0 -51.4 16.0 23.3 29.9 377 380 A G H 3< S+ 0 0 0 -4,-1.9 47,-0.4 -5,-0.4 -3,-0.2 0.670 103.0 60.9 -73.5 -22.9 12.9 21.8 28.2 378 381 A N T 3< S+ 0 0 54 -4,-2.8 2,-0.4 -5,-0.1 -1,-0.3 0.576 83.4 97.6 -81.7 -6.4 14.5 19.9 25.5 379 382 A R S X S- 0 0 36 -3,-1.3 3,-1.9 -5,-0.2 45,-0.2 -0.658 83.7-128.2 -76.0 132.6 16.3 17.8 28.1 380 383 A G T 3 S+ 0 0 10 65,-0.9 69,-0.4 -2,-0.4 68,-0.3 0.905 111.6 37.0 -46.9 -49.8 14.4 14.6 28.7 381 384 A K T 3 S- 0 0 135 64,-0.2 -1,-0.3 66,-0.1 42,-0.1 0.352 105.2-131.4 -87.2 5.7 14.3 15.2 32.4 382 385 A G < + 0 0 0 -3,-1.9 40,-2.3 1,-0.2 2,-0.2 0.741 40.3 178.0 55.4 29.3 13.9 19.0 32.0 383 386 A E - 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