==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-FEB-00 1EH9 . COMPND 2 MOLECULE: GLYCOSYLTREHALOSE TREHALOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR M.D.FEESE,Y.KATO,T.TAMADA,M.KATO,T.KOMEDA,K.KOBAYASHI, . 557 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 59 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 1 0 2 2 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 2 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 . 5 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 5 2 0 1 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 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 T 0 0 113 0, 0.0 4,-0.1 0, 0.0 234,-0.1 0.000 360.0 360.0 360.0 93.2 -6.7 43.8 6.6 2 2 A F + 0 0 14 2,-0.5 14,-0.2 68,-0.1 68,-0.2 0.383 360.0 33.7-166.9 -25.5 -7.3 40.1 6.7 3 3 A A S S- 0 0 5 1,-0.5 2,-0.2 67,-0.1 68,-0.1 0.804 116.5 -43.6-100.8 -79.8 -9.7 39.2 9.4 4 4 A Y - 0 0 1 66,-0.2 -1,-0.5 9,-0.2 -2,-0.5 -0.679 48.8-159.2-141.6-174.0 -12.3 41.9 9.9 5 5 A K - 0 0 30 7,-0.3 7,-1.2 -2,-0.2 2,-0.7 -0.686 12.2-137.4 177.5 125.0 -12.4 45.6 10.0 6 6 A I B +A 11 0A 37 5,-0.2 5,-0.3 -2,-0.2 3,-0.1 -0.839 21.0 171.1-104.0 118.2 -14.8 48.2 11.3 7 7 A D S S- 0 0 134 3,-3.4 -1,-0.2 -2,-0.7 4,-0.1 0.907 70.9 -49.1 -74.3 -97.3 -15.6 51.3 9.4 8 8 A G S S- 0 0 46 3,-0.0 40,-0.0 0, 0.0 0, 0.0 0.485 125.5 -17.6-107.8-101.2 -18.3 53.1 11.1 9 9 A N S S+ 0 0 89 -3,-0.1 2,-0.4 2,-0.0 41,-0.1 0.239 123.5 108.3 -89.4 14.6 -21.2 50.8 11.9 10 10 A E - 0 0 63 39,-0.1 -3,-3.4 41,-0.0 2,-0.4 -0.822 48.3-172.3-111.2 136.1 -19.5 48.5 9.3 11 11 A V E -AB 6 47A 0 36,-2.4 36,-3.8 -2,-0.4 2,-0.4 -0.906 11.7-155.9-114.7 138.9 -17.5 45.3 9.5 12 12 A I E - B 0 46A 40 -7,-1.2 2,-0.4 -2,-0.4 -7,-0.3 -0.924 5.1-150.3-117.5 141.2 -15.7 43.8 6.5 13 13 A F - 0 0 0 32,-3.3 -9,-0.2 -2,-0.4 33,-0.1 -0.452 16.7-174.8-117.6 72.0 -14.9 40.1 6.2 14 14 A T - 0 0 19 -2,-0.4 30,-0.2 30,-0.2 2,-0.1 -0.123 3.5-178.5 -58.1 147.6 -11.7 39.6 4.1 15 15 A L E -C 43 0B 7 28,-1.1 28,-1.7 53,-0.1 2,-0.1 -0.478 25.4-145.6-160.5 90.4 -10.7 36.0 3.2 16 16 A W E +C 42 0B 1 26,-0.3 26,-0.3 -14,-0.2 3,-0.1 -0.250 42.7 148.6 -46.6 107.5 -7.7 34.8 1.3 17 17 A A > + 0 0 2 24,-1.7 3,-5.2 -2,-0.1 25,-0.2 0.293 11.7 155.1-141.8 25.2 -9.3 31.8 -0.4 18 18 A P T 3 S+ 0 0 17 0, 0.0 186,-0.2 0, 0.0 -1,-0.1 0.653 80.4 52.0 -12.3 -62.7 -7.8 30.9 -3.8 19 19 A Y T 3 S+ 0 0 120 184,-0.9 2,-0.4 -3,-0.1 185,-0.2 0.524 96.1 85.2 -66.2 -5.7 -8.9 27.2 -3.5 20 20 A Q < - 0 0 16 -3,-5.2 3,-0.1 183,-0.5 -3,-0.1 -0.777 50.7-173.4-102.1 150.4 -12.4 28.0 -2.7 21 21 A K S S+ 0 0 173 1,-0.4 2,-0.3 -2,-0.4 16,-0.2 0.702 82.5 14.0-100.6 -34.0 -15.1 28.7 -5.2 22 22 A S + 0 0 37 14,-0.1 -1,-0.4 21,-0.0 2,-0.3 -0.946 67.1 174.1-149.3 123.2 -17.7 29.7 -2.6 23 23 A V - 0 0 5 -2,-0.3 12,-2.4 37,-0.2 2,-0.5 -0.908 16.6-145.1-127.8 153.2 -17.3 30.5 1.0 24 24 A K B -D 59 0C 64 35,-2.8 35,-2.2 -2,-0.3 10,-0.2 -0.951 8.1-140.4-132.5 122.4 -19.8 31.8 3.5 25 25 A L - 0 0 0 -2,-0.5 8,-3.5 33,-0.2 33,-0.2 -0.327 25.0-170.0 -62.7 150.4 -19.6 34.2 6.4 26 26 A K - 0 0 47 6,-0.3 31,-0.3 31,-0.0 6,-0.2 -0.318 17.5-158.1-149.1 67.7 -21.7 32.8 9.2 27 27 A V - 0 0 2 1,-0.2 29,-0.2 29,-0.2 -2,-0.0 -0.266 25.9-136.4 -45.6 120.7 -22.4 34.9 12.2 28 28 A L S S+ 0 0 53 27,-2.7 -1,-0.2 1,-0.2 28,-0.1 0.779 99.6 31.0 -52.2 -37.0 -23.2 32.1 14.6 29 29 A E S S+ 0 0 133 26,-0.5 -1,-0.2 2,-0.1 -2,-0.1 0.858 127.5 39.0 -92.9 -41.2 -26.1 33.9 16.0 30 30 A K S S- 0 0 85 1,-0.2 2,-0.2 -4,-0.0 -2,-0.1 0.950 105.5 -81.0 -73.6 -92.0 -27.2 35.8 13.0 31 31 A G - 0 0 21 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.804 37.8 -74.7-156.2-161.1 -27.0 33.9 9.7 32 32 A L - 0 0 67 -2,-0.2 -6,-0.3 -6,-0.2 2,-0.2 -0.938 42.1-170.1-117.2 136.9 -24.9 32.7 6.8 33 33 A Y - 0 0 67 -8,-3.5 2,-0.5 -2,-0.4 12,-0.0 -0.608 21.6-111.8-124.2 178.7 -23.7 34.8 3.9 34 34 A E - 0 0 131 -10,-0.2 -10,-0.2 -2,-0.2 -12,-0.0 -0.958 30.0-136.2-119.7 124.2 -22.0 34.7 0.5 35 35 A M - 0 0 17 -12,-2.4 2,-0.8 -2,-0.5 10,-0.2 -0.228 16.2-115.7 -78.0 165.5 -18.6 36.0 -0.1 36 36 A E - 0 0 139 8,-1.4 6,-0.1 6,-0.1 9,-0.1 -0.624 28.8-153.3-102.4 71.9 -17.2 38.1 -2.9 37 37 A R - 0 0 103 -2,-0.8 2,-0.2 -16,-0.2 6,-0.2 -0.176 15.7-164.8 -46.9 116.1 -14.7 35.9 -4.7 38 38 A D > - 0 0 49 1,-0.1 3,-0.7 4,-0.1 5,-0.1 -0.637 35.5-100.1-101.6 165.6 -12.3 38.2 -6.3 39 39 A E T 3 S+ 0 0 162 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.860 121.7 55.3 -54.5 -37.7 -9.8 37.2 -9.0 40 40 A K T 3 S- 0 0 106 2,-0.1 -1,-0.2 1,-0.1 -3,-0.1 0.830 124.6 -98.2 -66.0 -31.7 -7.0 36.9 -6.5 41 41 A G S < S+ 0 0 0 -3,-0.7 -24,-1.7 -24,-0.1 2,-1.1 0.328 76.5 138.5 128.6 2.1 -8.9 34.5 -4.3 42 42 A Y E -C 16 0B 41 -26,-0.3 -26,-0.3 -25,-0.2 -1,-0.1 -0.646 36.0-160.4 -82.9 93.9 -10.3 36.7 -1.6 43 43 A F E -C 15 0B 2 -28,-1.7 -28,-1.1 -2,-1.1 2,-0.3 -0.221 24.3-178.7 -63.1 159.7 -13.9 35.9 -0.8 44 44 A T - 0 0 42 -30,-0.2 -8,-1.4 -21,-0.2 2,-0.3 -0.988 24.2-177.0-165.4 153.4 -15.4 38.9 0.9 45 45 A I - 0 0 19 -2,-0.3 -32,-3.3 -10,-0.2 2,-0.4 -0.989 16.7-141.5-153.0 145.6 -18.5 40.3 2.6 46 46 A T E -B 12 0A 80 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.2 -0.948 23.1-176.8-116.8 131.9 -19.5 43.7 4.1 47 47 A L E +B 11 0A 17 -36,-3.8 -36,-2.4 -2,-0.4 -2,-0.0 -0.847 29.3 163.0-127.0 161.5 -21.7 44.1 7.2 48 48 A N S S+ 0 0 73 -2,-0.3 -1,-0.1 -38,-0.3 -36,-0.1 0.451 77.0 70.3-143.3 -28.2 -23.3 46.7 9.4 49 49 A N S S+ 0 0 75 -38,-0.1 3,-0.4 2,-0.1 2,-0.3 0.783 91.8 79.0 -66.6 -26.3 -25.8 44.7 11.5 50 50 A V + 0 0 0 1,-0.2 -39,-0.1 -41,-0.1 3,-0.1 -0.586 31.3 120.3 -86.5 145.7 -22.9 43.3 13.2 51 51 A K + 0 0 103 -2,-0.3 -1,-0.2 -41,-0.1 -2,-0.1 -0.104 53.1 128.6-167.9 -32.1 -21.0 45.1 15.9 52 52 A V S S- 0 0 36 -3,-0.4 2,-3.4 1,-0.2 32,-0.2 0.207 79.4-113.8 -33.8 139.6 -21.9 42.3 18.0 53 53 A R + 0 0 123 30,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.429 67.7 172.8 -79.0 64.8 -19.2 40.6 20.0 54 54 A D - 0 0 14 -2,-3.4 30,-1.0 -3,-0.1 2,-0.4 -0.576 39.2-135.6 -90.2 141.2 -20.1 37.8 17.7 55 55 A R E +F 83 0D 92 -2,-0.3 -27,-2.7 28,-0.2 -26,-0.5 -0.740 34.4 177.5 -90.5 136.0 -18.7 34.4 17.1 56 56 A Y E -F 82 0D 0 26,-1.9 26,-1.4 -2,-0.4 2,-0.3 -0.912 18.3-161.1-137.9 167.0 -18.4 33.5 13.4 57 57 A K - 0 0 39 -2,-0.3 2,-0.4 -31,-0.3 -31,-0.0 -0.986 20.1-128.5-151.0 138.0 -17.2 30.8 11.1 58 58 A Y E - E 0 66C 0 8,-3.2 8,-2.5 -2,-0.3 2,-0.6 -0.692 22.5-156.8 -84.9 132.5 -16.3 30.6 7.5 59 59 A V E -DE 24 65C 16 -35,-2.2 -35,-2.8 -2,-0.4 6,-0.3 -0.961 16.1-162.5-114.6 120.6 -18.1 27.8 5.7 60 60 A L > - 0 0 5 4,-2.9 3,-0.6 -2,-0.6 -37,-0.2 -0.167 33.9 -89.8 -93.0-175.7 -16.4 26.6 2.6 61 61 A D T 3 S+ 0 0 59 1,-0.2 -41,-0.1 2,-0.1 -38,-0.0 0.983 117.1 63.9 -50.0 -78.3 -17.1 24.6 -0.5 62 62 A D T 3 S- 0 0 100 1,-0.2 -1,-0.2 -3,-0.0 3,-0.1 0.486 119.8-103.9 -14.1 -45.0 -16.2 21.2 1.0 63 63 A A S < S+ 0 0 75 -3,-0.6 2,-0.2 1,-0.4 -1,-0.2 0.128 81.7 124.1 122.6 -3.7 -19.1 21.6 3.5 64 64 A S - 0 0 29 -5,-0.0 -4,-2.9 1,-0.0 -1,-0.4 -0.527 50.7-145.0 -90.4 152.9 -17.0 22.5 6.5 65 65 A E E +E 59 0C 100 -6,-0.3 -6,-0.3 -2,-0.2 -8,-0.0 -0.798 27.7 162.8-107.8 149.8 -17.1 25.5 8.7 66 66 A I E -E 58 0C 8 -8,-2.5 -8,-3.2 -2,-0.3 2,-0.4 -0.946 31.8 -92.0-157.6 179.2 -14.0 27.0 10.2 67 67 A P - 0 0 1 0, 0.0 4,-0.1 0, 0.0 132,-0.1 -0.826 44.9 -89.2-114.2 144.4 -12.6 30.1 11.8 68 68 A D > - 0 0 1 -2,-0.4 3,-2.4 -12,-0.2 15,-0.1 -0.117 32.2-150.1 -42.6 113.6 -11.0 33.2 10.5 69 69 A P T 3 S+ 0 0 9 0, 0.0 89,-0.5 0, 0.0 90,-0.2 0.587 103.3 51.4 -72.5 -1.2 -7.3 32.3 10.5 70 70 A A T 3 S+ 0 0 2 -68,-0.2 -66,-0.2 88,-0.1 -67,-0.1 0.000 89.4 161.4-115.0 24.3 -6.6 35.8 11.1 71 71 A S < - 0 0 0 -3,-2.4 3,-0.2 1,-0.2 13,-0.1 -0.116 38.9-150.7 -44.2 129.0 -9.0 35.5 13.9 72 72 A R S S+ 0 0 31 11,-0.4 88,-1.0 1,-0.3 2,-0.3 0.853 81.1 10.5 -77.8 -24.7 -8.7 38.2 16.4 73 73 A Y - 0 0 46 10,-0.4 10,-0.8 86,-0.2 -1,-0.3 -0.935 49.3-166.9-157.4 129.6 -9.9 35.9 19.1 74 74 A Q > + 0 0 0 86,-0.5 3,-1.5 -2,-0.3 6,-0.2 -0.418 25.4 162.0-112.3 56.7 -10.6 32.2 19.6 75 75 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.847 71.5 48.0 -37.1 -62.6 -12.5 32.3 22.9 76 76 A E T 3 S- 0 0 141 5,-0.4 2,-0.3 1,-0.2 3,-0.2 0.748 124.6 -83.3 -61.4 -24.6 -14.1 28.9 22.7 77 77 A G < - 0 0 14 -3,-1.5 3,-0.4 4,-0.2 -1,-0.2 -0.945 60.9 -51.3 148.7-169.3 -10.9 27.2 21.7 78 78 A V S S+ 0 0 12 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.877 143.1 39.5 -68.5 -35.4 -8.8 26.5 18.6 79 79 A H S S+ 0 0 87 -3,-0.2 -1,-0.2 -5,-0.1 3,-0.1 0.290 98.0 122.4 -90.0 4.8 -11.9 25.2 16.9 80 80 A G S S- 0 0 1 -3,-0.4 2,-0.2 -6,-0.2 3,-0.1 -0.293 76.7 -94.3 -67.2 153.9 -13.7 27.9 18.6 81 81 A P - 0 0 7 0, 0.0 -5,-0.4 0, 0.0 -24,-0.2 -0.466 43.1-110.1 -67.1 131.9 -15.6 30.3 16.5 82 82 A S E -F 56 0D 0 -26,-1.4 -26,-1.9 -2,-0.2 2,-0.3 -0.186 42.6-146.8 -58.1 167.2 -13.6 33.4 15.7 83 83 A Q E -F 55 0D 37 -10,-0.8 -10,-0.4 -28,-0.2 -11,-0.4 -0.983 8.9-114.6-144.7 158.1 -14.9 36.4 17.5 84 84 A I + 0 0 2 -30,-1.0 2,-0.3 -2,-0.3 -13,-0.0 -0.542 34.7 168.3 -87.4 151.2 -15.4 40.2 17.2 85 85 A I - 0 0 28 -2,-0.2 -31,-0.0 1,-0.1 -13,-0.0 -0.981 36.4 -85.8-157.3 158.9 -13.6 42.7 19.4 86 86 A Q - 0 0 105 -2,-0.3 2,-0.9 1,-0.1 3,-0.1 0.040 47.4-100.1 -60.2 175.7 -13.0 46.4 19.6 87 87 A E - 0 0 46 1,-0.2 3,-0.2 -82,-0.0 -1,-0.1 -0.861 22.1-158.3-104.2 98.7 -10.2 48.1 17.8 88 88 A S + 0 0 8 -2,-0.9 2,-2.7 1,-0.2 -1,-0.2 0.876 34.5 163.0 -39.7 -41.9 -7.4 48.6 20.4 89 89 A K + 0 0 139 -3,-0.1 2,-0.2 155,-0.0 -1,-0.2 -0.181 31.3 92.3 55.6 -48.8 -6.4 51.4 17.9 90 90 A E + 0 0 125 -2,-2.7 155,-0.3 -3,-0.2 2,-0.3 -0.593 40.0 128.9 -86.9 146.7 -4.0 53.5 20.1 91 91 A F - 0 0 59 -2,-0.2 2,-0.4 153,-0.1 151,-0.1 -0.931 46.7-101.6-172.4 172.9 -0.3 53.1 20.4 92 92 A N - 0 0 95 -2,-0.3 2,-2.5 2,-0.2 -2,-0.0 -0.868 20.9-118.9-123.3 149.3 2.8 55.3 20.1 93 93 A N S S+ 0 0 69 -2,-0.4 2,-0.2 2,-0.0 184,-0.1 -0.512 90.9 35.2 -78.3 71.5 5.4 56.0 17.5 94 94 A E - 0 0 117 -2,-2.5 2,-0.4 182,-0.4 -2,-0.2 -0.632 65.9-127.3 153.8 153.6 8.2 54.8 19.8 95 95 A T - 0 0 13 182,-0.7 88,-0.1 -2,-0.2 152,-0.0 -0.986 17.2-143.6-121.8 128.1 9.5 52.5 22.4 96 96 A F S S+ 0 0 109 -2,-0.4 2,-1.5 1,-0.1 -1,-0.1 0.704 75.9 110.7 -60.1 -18.6 11.1 54.0 25.5 97 97 A L - 0 0 14 150,-0.1 -1,-0.1 85,-0.1 -2,-0.1 -0.401 49.4-176.6 -63.5 85.0 13.2 51.0 25.1 98 98 A K - 0 0 32 -2,-1.5 -2,-0.0 1,-0.1 0, 0.0 -0.478 26.9-129.2 -76.0 160.5 16.6 52.1 24.1 99 99 A K S S+ 0 0 83 1,-0.2 3,-0.3 -2,-0.1 -1,-0.1 0.981 96.4 65.5 -74.4 -67.0 18.9 49.0 23.4 100 100 A E S S+ 0 0 86 1,-0.3 2,-1.1 390,-0.1 -1,-0.2 0.756 100.7 58.5 -26.5 -40.6 22.1 49.6 25.4 101 101 A D S S+ 0 0 89 389,-0.1 2,-0.7 33,-0.1 -1,-0.3 -0.340 82.3 145.1 -91.8 56.7 19.9 49.4 28.5 102 102 A L + 0 0 6 -2,-1.1 2,-0.5 -3,-0.3 -3,-0.1 -0.836 16.8 158.5-110.1 118.9 18.7 45.9 27.7 103 103 A I - 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0 0 1 -5,-4.6 -1,-0.2 -4,-0.2 -8,-0.2 -0.730 62.9-124.9-104.5 150.7 22.1 42.7 6.0 300 300 A Y - 0 0 22 -10,-0.9 -29,-0.2 -2,-0.3 -9,-0.1 0.523 45.6-126.8 -63.8 -7.4 18.4 42.4 6.8 301 301 A N + 0 0 55 -8,-2.3 -9,-0.2 -11,-0.6 -21,-0.1 0.677 43.5 170.6 69.6 19.3 19.0 44.8 9.5 302 302 A I - 0 0 2 -11,-2.9 -1,-0.2 -9,-0.2 -21,-0.1 -0.402 38.0-126.8 -58.2 147.1 17.5 42.8 12.4 303 303 A D S S- 0 0 34 -23,-1.0 2,-0.3 1,-0.2 -22,-0.2 0.851 74.3 -22.8 -66.6 -44.5 18.4 44.7 15.6 304 304 A A E -l 281 0E 3 -24,-1.5 -22,-2.0 -13,-0.1 2,-0.3 -0.984 57.8-146.6-165.4 159.7 20.0 41.8 17.4 305 305 A Q E -lm 282 369E 2 63,-4.2 65,-1.4 -2,-0.3 -22,-0.2 -0.967 27.4-100.4-134.8 155.2 20.2 38.1 17.5 306 306 A W E - m 0 370E 7 -24,-1.7 -22,-0.3 -2,-0.3 65,-0.2 -0.354 24.7-152.9 -67.7 153.4 20.7 35.4 20.1 307 307 A V >> + 0 0 4 63,-1.7 3,-1.9 1,-0.1 4,-0.6 -0.407 17.8 174.9-128.6 59.5 24.2 33.8 20.3 308 308 A D H 3> S+ 0 0 52 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.634 76.4 75.4 -33.8 -17.9 23.8 30.2 21.6 309 309 A D H 3> S+ 0 0 8 2,-0.2 4,-2.2 1,-0.1 -1,-0.3 0.988 91.1 51.6 -65.6 -51.3 27.5 30.0 21.0 310 310 A F H <> S+ 0 0 2 -3,-1.9 4,-1.3 2,-0.2 3,-0.3 0.930 110.5 49.8 -45.4 -62.8 28.2 32.1 24.1 311 311 A H H >X S+ 0 0 2 -4,-0.6 4,-2.4 1,-0.2 3,-2.4 0.937 109.0 47.8 -38.7 -83.8 26.0 29.8 26.2 312 312 A H H 3X S+ 0 0 5 -4,-1.7 4,-2.5 1,-0.3 5,-0.5 0.756 104.7 59.1 -32.7 -46.1 27.5 26.5 25.2 313 313 A S H 3< S+ 0 0 1 -4,-2.2 18,-0.5 -3,-0.3 22,-0.3 0.886 117.3 34.6 -54.9 -39.0 31.1 27.5 25.7 314 314 A I H S- 0 0 100 3,-0.0 3,-3.7 4,-0.0 5,-0.1 -0.856 74.4 -27.4-112.9 150.9 26.2 15.9 24.0 324 324 A G G > S+ 0 0 42 -2,-0.3 3,-2.8 1,-0.3 4,-0.3 -0.091 141.1 1.7 43.6-140.7 24.5 17.2 20.8 325 325 A Y G > S+ 0 0 67 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.718 121.1 80.4 -45.5 -21.8 25.7 20.7 20.3 326 326 A Y G X S+ 0 0 7 -3,-3.7 3,-2.3 1,-0.3 -1,-0.3 0.878 78.4 69.5 -57.8 -30.0 27.8 20.4 23.3 327 327 A T G < S+ 0 0 69 -3,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.681 86.2 64.5 -60.8 -21.5 30.3 18.6 21.4 328 328 A D G < S+ 0 0 9 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.696 117.5 8.5 -77.9 -11.3 31.3 21.6 19.5 329 329 A F < + 0 0 12 -3,-2.3 -16,-0.1 -4,-0.4 3,-0.1 -0.366 50.3 134.2-137.1-145.9 32.6 23.2 22.7 330 330 A G + 0 0 6 1,-0.3 2,-0.3 -2,-0.1 -17,-0.1 0.892 57.0 108.1 91.3 54.8 33.3 22.8 26.4 331 331 A N S > S- 0 0 76 -18,-0.5 4,-1.3 1,-0.2 -1,-0.3 -0.978 75.0-114.8-163.0 146.8 36.6 24.4 26.7 332 332 A L H >> S+ 0 0 8 -2,-0.3 4,-1.5 1,-0.2 3,-0.8 0.914 112.4 54.9 -44.8 -59.2 38.2 27.5 28.2 333 333 A D H 3> S+ 0 0 90 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.870 101.0 59.4 -43.8 -50.0 39.3 28.9 24.8 334 334 A D H 3> S+ 0 0 35 -3,-0.3 4,-3.0 1,-0.3 5,-0.3 0.910 103.2 53.4 -47.2 -47.3 35.7 28.7 23.5 335 335 A I H X S+ 0 0 33 -4,-3.3 4,-3.7 1,-0.3 3,-1.0 0.978 110.9 47.6 -52.5 -57.7 36.7 33.5 21.8 338 338 A S H 3< S+ 0 0 0 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.840 110.3 57.7 -50.1 -34.6 33.0 33.9 22.1 339 339 A Y H 3< S+ 0 0 3 -4,-1.6 -1,-0.3 -5,-0.3 3,-0.3 0.861 121.5 21.2 -67.9 -37.0 33.9 36.7 24.4 340 340 A K H << S+ 0 0 77 -4,-2.5 -2,-0.2 -3,-1.0 -1,-0.2 0.661 132.1 38.5-111.1 -5.5 35.9 38.6 21.9 341 341 A D S < S- 0 0 62 -4,-3.7 2,-0.3 -5,-0.3 -1,-0.2 -0.533 88.2-136.6-136.0 59.8 34.6 37.3 18.6 342 342 A V S S+ 0 0 0 -3,-0.3 2,-0.3 18,-0.1 -32,-0.2 0.282 83.3 57.7 14.1 -66.3 30.9 36.9 19.2 343 343 A F - 0 0 1 -2,-0.3 3,-0.2 1,-0.2 18,-0.1 -0.630 61.8-157.2 -85.0 143.0 30.7 33.5 17.5 344 344 A V S S+ 0 0 6 -2,-0.3 2,-1.0 1,-0.3 -1,-0.2 0.896 95.8 56.3 -81.8 -29.8 32.7 30.5 18.4 345 345 A Y + 0 0 16 1,-0.1 14,-0.3 14,-0.1 -1,-0.3 -0.802 62.3 161.5-103.1 88.2 32.0 29.3 14.9 346 346 A D S S- 0 0 31 -2,-1.0 12,-0.2 -3,-0.2 13,-0.1 -0.320 84.3 -42.3 -92.8 32.5 33.4 32.0 12.8 347 347 A G S S+ 0 0 36 10,-1.0 2,-0.3 12,-0.2 11,-0.2 0.868 105.4 116.5 98.0 71.0 33.6 29.9 9.8 348 348 A K E -O 357 0G 72 9,-2.3 9,-1.7 -3,-0.1 2,-0.6 -0.970 65.2 -58.5-164.9 171.6 35.0 26.5 10.9 349 349 A Y E -O 356 0G 108 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.454 36.2-172.1 -71.9 114.3 34.5 22.9 11.3 350 350 A S E >> -O 355 0G 0 5,-1.5 4,-2.6 -2,-0.6 5,-1.1 -0.795 8.5-171.4 -96.7 106.4 31.6 21.7 13.4 351 351 A N T 45S+ 0 0 99 -2,-0.9 -1,-0.2 1,-0.2 -23,-0.1 0.793 88.5 68.6 -66.1 -17.7 31.8 18.0 13.8 352 352 A F T 45S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -27,-0.1 0.965 117.8 17.3 -61.2 -46.8 28.5 18.6 15.3 353 353 A R T 45S- 0 0 59 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.451 96.7-131.4-102.1 -6.9 27.0 19.5 11.9 354 354 A R T <5S+ 0 0 163 -4,-2.6 2,-0.2 1,-0.2 -3,-0.2 0.916 76.4 100.0 53.6 41.9 29.7 18.0 9.8 355 355 A K E - 0 0 78 -2,-0.2 3,-0.9 1,-0.2 4,-0.3 -0.296 33.6-107.0 -62.1 157.6 28.6 46.4 18.9 366 366 A G G > S+ 0 0 0 125,-4.2 3,-1.3 1,-0.3 2,-0.2 0.711 113.2 81.3 -56.5 -15.8 28.1 43.7 21.6 367 367 A a G 3 S+ 0 0 10 124,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.074 73.9 68.5 -83.4 33.1 24.5 45.0 21.4 368 368 A N G < S+ 0 0 25 -3,-0.9 -63,-4.2 -2,-0.2 2,-0.3 0.381 99.2 61.3-119.3 -6.7 23.6 42.9 18.3 369 369 A F E < -m 305 0E 0 -3,-1.3 2,-0.4 -65,-0.3 -63,-0.2 -0.859 66.9-152.7-125.4 154.0 23.9 39.9 20.3 370 370 A V E -m 306 0E 3 -65,-1.4 -63,-1.7 -2,-0.3 2,-0.2 -0.977 15.7-167.3-133.1 112.6 22.1 38.6 23.3 371 371 A V + 0 0 0 -2,-0.4 41,-1.0 33,-0.2 2,-0.2 -0.432 12.0 163.8 -91.9 165.0 23.8 36.2 25.6 372 372 A Y - 0 0 1 39,-0.2 41,-0.1 -65,-0.2 3,-0.1 -0.879 39.8-145.4 179.9 147.9 22.4 34.0 28.3 373 373 A I S S+ 0 0 4 39,-0.3 2,-0.3 -2,-0.2 40,-0.1 0.623 90.4 30.3 -96.4 -14.9 23.0 31.0 30.6 374 374 A Q + 0 0 3 38,-0.4 2,-0.2 13,-0.0 -1,-0.2 -0.995 56.5 139.4-148.0 153.7 19.4 30.0 30.5 375 375 A N > - 0 0 1 -2,-0.3 4,-3.1 -3,-0.1 5,-0.4 -0.914 62.2 -84.6-172.4 164.3 16.2 29.9 28.4 376 376 A H H > S+ 0 0 0 -2,-0.2 4,-1.5 1,-0.2 5,-0.4 0.798 127.0 47.8 -48.2 -38.9 13.3 27.5 27.6 377 377 A D H > S+ 0 0 33 3,-0.2 4,-3.0 2,-0.2 -1,-0.2 1.000 113.2 44.8 -64.1 -62.5 15.2 25.9 25.0 378 378 A Q H 4 S+ 0 0 3 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.731 131.0 25.7 -49.1 -35.0 18.4 25.4 26.9 379 379 A V H >< S+ 0 0 0 -4,-3.1 3,-1.3 6,-0.1 5,-0.3 0.896 120.5 55.6 -90.9 -60.1 16.5 24.2 30.0 380 380 A G H ><>S+ 0 0 0 -4,-1.5 3,-0.9 -5,-0.4 5,-0.6 0.741 99.0 59.5 -38.9 -49.7 13.3 22.8 28.3 381 381 A N T 3<5S+ 0 0 51 -4,-3.0 -1,-0.3 -5,-0.4 -3,-0.1 0.139 76.9 95.7 -76.9 23.0 15.0 20.4 25.9 382 382 A R T < 5S- 0 0 42 -3,-1.3 -1,-0.2 43,-0.4 -2,-0.1 0.710 90.8-121.5 -93.1 -8.9 16.7 18.3 28.4 383 383 A G T < 5S+ 0 0 1 -3,-0.9 69,-0.7 -4,-0.1 68,-0.6 0.116 114.8 39.3 95.3 -24.4 14.2 15.6 28.8 384 384 A K T 5S- 0 0 103 -5,-0.3 3,-0.1 66,-0.1 42,-0.1 -0.224 104.0-128.3-149.7 41.6 14.1 16.6 32.4 385 385 A G < - 0 0 0 -5,-0.6 40,-1.2 1,-0.2 2,-0.2 0.526 34.6-165.2 8.3 52.0 14.3 20.3 31.9 386 386 A E - 0 0 47 -7,-0.2 -1,-0.2 38,-0.2 37,-0.1 -0.364 12.8-135.8 -62.0 125.1 17.1 20.5 34.4 387 387 A R > - 0 0 0 35,-0.4 3,-0.7 -2,-0.2 35,-0.1 -0.261 23.9-112.6 -71.5 162.0 17.7 24.0 35.5 388 388 A I G >> S+ 0 0 3 1,-0.2 3,-1.6 2,-0.2 4,-0.7 0.733 111.4 71.7 -75.7 -16.4 21.3 24.9 35.5 389 389 A I G >4 S+ 0 0 31 32,-0.3 3,-0.6 1,-0.3 -1,-0.2 0.865 92.3 60.6 -59.0 -39.0 21.5 25.2 39.2 390 390 A K G <4 S+ 0 0 83 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.252 107.1 42.4 -73.0 4.9 21.2 21.4 39.3 391 391 A L G <4 S+ 0 0 49 -3,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.427 107.3 53.2-134.1 -1.4 24.5 20.7 37.4 392 392 A V S << S- 0 0 18 -4,-0.7 -1,-0.2 -3,-0.6 -73,-0.1 -0.974 84.3-101.4-135.3 149.3 27.1 23.1 38.6 393 393 A D > - 0 0 83 -2,-0.3 4,-2.4 -75,-0.1 5,-0.3 -0.333 39.1-109.6 -66.7 152.2 28.4 24.0 42.0 394 394 A R H > S+ 0 0 112 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.819 118.3 54.6 -51.8 -41.0 27.1 27.2 43.6 395 395 A E H >> S+ 0 0 32 2,-0.2 4,-1.8 3,-0.1 3,-0.6 0.983 112.2 47.0 -58.5 -49.1 30.4 29.0 43.2 396 396 A S H >> S+ 0 0 7 1,-0.3 3,-2.2 2,-0.2 4,-1.9 0.979 107.3 53.2 -48.5 -75.4 30.2 28.2 39.5 397 397 A Y H 3X S+ 0 0 5 -4,-2.4 4,-1.3 1,-0.3 -1,-0.3 0.769 110.9 50.9 -36.8 -25.7 26.6 29.2 39.1 398 398 A K H X S+ 0 0 0 -4,-1.8 3,-2.2 -3,-0.3 4,-2.0 0.956 106.6 52.4 -48.2 -66.4 28.7 37.1 36.2 403 403 A L H 3< S+ 0 0 1 -4,-1.7 3,-0.3 1,-0.3 4,-0.2 0.836 111.4 45.0 -33.0 -60.5 30.0 36.3 32.8 404 404 A Y H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.2 -33,-0.2 0.608 117.9 41.0 -70.2 -16.7 26.8 36.8 31.0 405 405 A L H << S+ 0 0 0 -3,-2.2 -1,-0.2 -4,-1.1 -2,-0.2 0.540 111.1 55.5-108.3 -9.1 25.9 40.0 32.6 406 406 A L S < S+ 0 0 2 -4,-2.0 -2,-0.2 -3,-0.3 -3,-0.2 0.288 88.6 106.7-102.7 9.2 29.2 41.4 32.5 407 407 A S S S- 0 0 0 -4,-0.2 84,-0.1 -5,-0.2 85,-0.1 -0.406 80.0-123.6 -81.2 158.2 29.4 40.9 28.8 408 408 A P S S+ 0 0 2 0, 0.0 83,-3.7 0, 0.0 85,-0.1 0.626 91.6 90.8 -76.3 -15.1 29.1 43.8 26.2 409 409 A Y S S- 0 0 0 81,-0.2 82,-0.5 -42,-0.1 -39,-0.2 0.538 96.9 -84.8 -60.6-160.6 26.2 41.7 24.9 410 410 A I - 0 0 5 -44,-0.1 -307,-0.1 80,-0.1 -1,-0.1 -0.752 43.6-148.8-131.1 85.1 22.7 41.8 25.8 411 411 A P - 0 0 0 0, 0.0 -307,-2.0 0, 0.0 2,-0.3 -0.189 16.6-177.7 -52.2 136.3 22.1 39.8 28.8 412 412 A M E -h 104 0E 1 -41,-1.0 -38,-0.4 -309,-0.2 2,-0.4 -0.973 13.8-144.1-145.3 127.0 18.7 38.1 29.3 413 413 A I E -h 105 0E 0 -309,-3.5 -307,-1.9 -2,-0.3 2,-0.1 -0.683 12.8-129.9 -93.4 138.0 17.6 36.0 32.2 414 414 A F E -h 106 0E 0 -2,-0.4 4,-0.5 -309,-0.2 3,-0.4 -0.535 45.0 -93.1 -75.0 154.7 15.5 33.0 32.1 415 415 A M S S+ 0 0 0 -309,-1.2 2,-1.1 1,-0.2 -1,-0.1 -0.276 110.6 20.2 -63.3 150.7 12.6 33.3 34.6 416 416 A G S > >S+ 0 0 0 1,-0.1 5,-2.3 -3,-0.1 3,-1.4 -0.132 97.2 99.3 85.6 -44.2 13.4 31.8 38.0 417 417 A E G > 5S+ 0 0 0 -2,-1.1 3,-1.3 -3,-0.4 -2,-0.1 0.795 73.8 57.7 -41.3 -49.5 17.1 31.9 37.4 418 418 A E G 3 5S+ 0 0 0 -4,-0.5 59,-0.3 1,-0.3 -1,-0.2 0.733 108.8 43.3 -62.9 -28.5 17.7 35.1 39.5 419 419 A Y G < 5S- 0 0 0 -3,-1.4 -1,-0.3 54,-0.1 51,-0.2 0.132 122.2 -99.5-105.3 20.2 16.4 33.8 42.7 420 420 A G T < 5 - 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