==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-13 3WA6 . COMPND 2 MOLECULE: TANNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; . AUTHOR Y.MATOBA,N.TANAKA,M.SUGIYAMA . 466 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 10.7 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 21 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 2 1 1 1 0 1 1 3 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 1 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 PARALLEL BRIDGES PER LADDER . 6 0 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 4 A R 0 0 189 0, 0.0 3,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 154.3 2.9 -39.0 6.8 2 5 A L + 0 0 19 1,-0.2 2,-0.6 30,-0.1 186,-0.0 0.782 360.0 149.9 60.9 28.2 2.5 -35.3 7.3 3 6 A I - 0 0 69 143,-0.0 2,-0.3 140,-0.0 -1,-0.2 -0.833 45.2-131.4 -94.7 122.4 4.1 -34.8 3.8 4 7 A F - 0 0 3 -2,-0.6 2,-0.6 135,-0.2 3,-0.0 -0.547 16.1-154.3 -74.9 134.7 2.8 -31.7 2.1 5 8 A D > - 0 0 69 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.948 9.8-152.6-113.2 116.1 1.7 -32.3 -1.5 6 9 A A G > S+ 0 0 38 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.663 91.1 76.3 -60.8 -15.2 1.9 -29.2 -3.8 7 10 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.613 81.5 68.9 -71.6 -10.7 -0.9 -30.8 -5.8 8 11 A W G < S+ 0 0 120 -3,-2.3 2,-0.4 18,-0.1 19,-0.3 0.702 77.3 101.5 -77.8 -20.0 -3.3 -29.7 -3.0 9 12 A L < - 0 0 15 -3,-1.4 17,-0.2 -4,-0.3 36,-0.1 -0.525 54.5-174.5 -69.9 121.6 -2.7 -26.1 -4.1 10 13 A V E -A 25 0A 68 15,-2.3 15,-2.5 -2,-0.4 2,-0.1 -0.936 28.7-100.8-120.9 143.4 -5.6 -24.7 -6.2 11 14 A P E +A 24 0A 87 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.313 48.0 158.9 -64.0 138.2 -5.9 -21.4 -7.9 12 15 A E E -A 23 0A 56 11,-3.0 11,-2.7 -2,-0.1 2,-0.3 -0.929 20.0-158.7-149.5 167.1 -7.9 -18.6 -6.3 13 16 A Q E -A 22 0A 98 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.987 1.2-165.1-153.0 147.5 -8.1 -14.8 -6.5 14 17 A V E -A 21 0A 20 7,-1.7 7,-3.1 -2,-0.3 2,-0.3 -0.994 25.8-118.6-135.3 140.9 -9.4 -12.1 -4.2 15 18 A Q E +A 20 0A 112 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.646 29.0 179.6 -83.1 135.1 -10.2 -8.5 -5.1 16 19 A V E > S-A 19 0A 14 3,-3.3 3,-1.0 -2,-0.3 -2,-0.0 -0.869 72.0 -27.6-138.4 100.5 -8.2 -5.8 -3.3 17 20 A A T 3 S- 0 0 107 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.971 124.4 -48.2 58.0 58.0 -8.9 -2.2 -4.3 18 21 A G T 3 S+ 0 0 78 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.501 121.8 111.1 63.4 1.6 -10.1 -3.0 -7.8 19 22 A Q E < -A 16 0A 99 -3,-1.0 -3,-3.3 2,-0.0 2,-0.5 -0.921 66.3-133.6-111.3 130.7 -6.9 -5.2 -8.1 20 23 A A E -A 15 0A 43 -2,-0.5 2,-0.7 -5,-0.2 -5,-0.2 -0.693 12.3-153.8 -86.0 127.5 -7.1 -8.9 -8.4 21 24 A I E -A 14 0A 11 -7,-3.1 -7,-1.7 -2,-0.5 2,-0.4 -0.896 11.3-153.9-103.1 113.8 -4.7 -10.9 -6.2 22 25 A Q E +A 13 0A 96 -2,-0.7 26,-2.1 -9,-0.2 27,-0.3 -0.708 29.2 142.6 -89.1 134.7 -3.9 -14.3 -7.6 23 26 A Y E -AB 12 47A 1 -11,-2.7 -11,-3.0 -2,-0.4 2,-0.4 -0.924 41.9-116.1-156.3 178.0 -2.8 -17.1 -5.3 24 27 A Y E -AB 11 46A 51 22,-2.1 22,-2.4 -2,-0.3 2,-0.4 -0.944 25.1-156.1-123.9 147.5 -3.1 -20.8 -4.6 25 28 A A E -AB 10 45A 1 -15,-2.5 -15,-2.3 -2,-0.4 2,-0.4 -0.968 16.9-175.8-130.7 143.5 -4.7 -22.4 -1.6 26 29 A A E - B 0 44A 3 18,-2.1 18,-3.1 -2,-0.4 3,-0.3 -0.959 29.6-169.6-132.7 109.3 -4.3 -25.8 0.2 27 30 A R E + 0 0 77 -2,-0.4 16,-0.2 -19,-0.3 55,-0.0 -0.673 47.0 16.8-111.7 163.3 -6.9 -26.0 3.0 28 31 A N E + 0 0 117 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.866 69.9 171.8 50.3 50.2 -7.8 -28.1 6.1 29 32 A I E - B 0 42A 13 13,-2.5 13,-1.9 -3,-0.3 2,-0.3 -0.776 33.2-130.0 -91.7 121.0 -4.5 -29.9 6.3 30 33 A Q E - B 0 41A 88 -2,-0.6 11,-0.2 11,-0.2 -28,-0.1 -0.554 21.0-168.5 -67.9 126.9 -4.1 -32.0 9.4 31 34 A Y + 0 0 0 9,-0.9 157,-0.6 -2,-0.3 2,-0.3 0.398 64.1 47.9-104.0 5.0 -0.7 -31.1 10.9 32 35 A V B S-J 187 0B 3 8,-0.3 155,-0.2 155,-0.2 154,-0.2 -0.960 76.0-128.8-137.3 154.0 -0.2 -33.8 13.5 33 36 A Q S S+ 0 0 66 153,-2.2 153,-0.2 -2,-0.3 154,-0.1 0.820 105.1 34.0 -72.7 -31.7 -0.6 -37.6 13.1 34 37 A H S S- 0 0 101 151,-3.3 -1,-0.2 -3,-0.0 153,-0.1 -0.530 79.0-178.1-126.4 67.9 -2.9 -37.9 16.2 35 38 A P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.209 16.9-163.3 -62.9 154.4 -5.1 -34.8 16.5 36 39 A V S S+ 0 0 57 1,-0.2 2,-0.3 87,-0.1 82,-0.2 0.434 72.6 38.4-117.0 -5.8 -7.5 -34.5 19.4 37 40 A A S > S- 0 0 12 80,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.999 74.5-125.3-147.9 145.5 -9.7 -31.8 18.0 38 41 A A T 3 S+ 0 0 93 -2,-0.3 71,-0.1 1,-0.3 -1,-0.1 0.794 105.8 68.9 -58.3 -30.0 -11.1 -30.8 14.6 39 42 A I T 3 S+ 0 0 37 1,-0.2 2,-2.7 40,-0.1 -1,-0.3 0.717 72.1 97.1 -64.4 -20.4 -9.6 -27.3 14.9 40 43 A Q < + 0 0 0 -3,-1.7 -9,-0.9 68,-0.1 -8,-0.3 -0.329 61.3 100.6 -72.9 65.4 -6.1 -28.8 14.5 41 44 A V E -B 30 0A 14 -2,-2.7 68,-3.5 -11,-0.2 2,-0.3 -0.906 55.4-145.9-138.7 165.0 -5.7 -28.1 10.8 42 45 A L E -BC 29 108A 0 -13,-1.9 -13,-2.5 -2,-0.3 2,-0.4 -0.943 4.5-138.8-136.5 158.8 -3.9 -25.4 8.8 43 46 A N E - C 0 107A 8 64,-2.4 64,-2.3 -2,-0.3 2,-0.5 -0.929 12.1-152.5-117.1 141.9 -4.4 -23.5 5.6 44 47 A V E -BC 26 106A 0 -18,-3.1 -18,-2.1 -2,-0.4 2,-0.4 -0.957 10.7-174.8-118.1 129.8 -1.6 -22.7 3.1 45 48 A F E -BC 25 105A 0 60,-3.0 60,-2.7 -2,-0.5 -20,-0.2 -0.988 4.3-176.1-127.8 128.6 -1.8 -19.6 0.8 46 49 A V E -B 24 0A 0 -22,-2.4 -22,-2.1 -2,-0.4 58,-0.1 -0.975 31.9-111.5-130.7 130.6 0.8 -18.9 -1.9 47 50 A P E > -B 23 0A 5 0, 0.0 3,-1.7 0, 0.0 -24,-0.3 -0.300 34.1-123.2 -55.3 137.0 1.2 -16.0 -4.3 48 51 A A G > S+ 0 0 17 -26,-2.1 3,-2.4 1,-0.3 4,-0.2 0.819 105.6 70.2 -53.5 -35.7 0.5 -17.3 -7.8 49 52 A A G > >S+ 0 0 21 -27,-0.3 5,-2.6 1,-0.3 3,-1.9 0.801 86.7 66.9 -53.6 -31.1 4.0 -16.2 -9.1 50 53 A Y G < 5S+ 0 0 4 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.505 98.2 52.2 -72.2 -2.8 5.6 -18.9 -7.0 51 54 A L G < 5S+ 0 0 60 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.255 110.6 49.3-110.1 5.9 4.0 -21.6 -9.2 52 55 A H T < 5S- 0 0 140 -3,-1.9 -2,-0.2 -4,-0.2 -3,-0.1 0.221 114.1-110.0-125.2 8.0 5.4 -19.8 -12.3 53 56 A G T 5S+ 0 0 73 -4,-0.2 -3,-0.2 1,-0.2 2,-0.1 0.777 81.0 124.6 66.0 25.1 9.0 -19.5 -11.2 54 57 A S < - 0 0 62 -5,-2.6 7,-0.5 -6,-0.1 2,-0.3 -0.417 54.0-112.7-108.6-174.5 8.4 -15.7 -10.9 55 58 A S - 0 0 64 5,-0.1 2,-0.3 -2,-0.1 5,-0.2 -0.795 11.7-161.9-124.1 163.7 8.8 -13.1 -8.2 56 59 A V B > S-K 59 0C 31 3,-2.1 3,-2.5 -2,-0.3 45,-0.0 -0.955 80.6 -18.4-144.1 119.0 6.8 -10.7 -6.1 57 60 A N T 3 S- 0 0 76 -2,-0.3 3,-0.1 1,-0.3 44,-0.0 0.818 129.5 -50.7 55.1 32.2 8.2 -7.6 -4.3 58 61 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 408,-0.0 2,-0.2 0.309 116.1 115.1 90.4 -10.1 11.7 -9.1 -4.8 59 62 A Y B < -K 56 0C 4 -3,-2.5 -3,-2.1 42,-0.2 -1,-0.3 -0.590 42.5-169.3 -94.8 157.4 10.7 -12.5 -3.3 60 63 A Q >> - 0 0 109 -5,-0.2 4,-2.4 -2,-0.2 3,-0.9 -0.822 43.8 -89.6-134.2 172.4 10.6 -15.9 -5.0 61 64 A R T 34 S+ 0 0 81 -7,-0.5 88,-2.1 -2,-0.3 -11,-0.1 0.898 127.4 46.6 -51.7 -43.9 9.3 -19.3 -4.0 62 65 A A T 34 S+ 0 0 78 1,-0.2 -1,-0.3 86,-0.1 83,-0.0 0.710 122.9 33.2 -73.4 -19.9 12.6 -20.2 -2.4 63 66 A T T <4 S+ 0 0 63 -3,-0.9 -2,-0.2 87,-0.1 -1,-0.2 0.534 81.3 124.1-115.4 -8.7 13.0 -17.0 -0.5 64 67 A A < - 0 0 0 -4,-2.4 86,-3.4 1,-0.1 89,-0.2 -0.254 63.0-115.9 -60.4 135.8 9.5 -15.8 0.5 65 68 A P - 0 0 2 0, 0.0 39,-2.9 0, 0.0 2,-0.7 -0.352 22.6-133.7 -66.1 152.6 8.9 -15.2 4.2 66 69 A I E -de 104 154A 1 87,-2.3 89,-2.3 84,-0.4 2,-0.4 -0.898 17.0-157.7-114.9 101.2 6.3 -17.5 5.7 67 70 A L E -de 105 155A 2 37,-2.5 39,-2.2 -2,-0.7 89,-0.2 -0.638 5.9-168.6 -78.2 128.7 3.8 -15.4 7.8 68 71 A M E + e 0 156A 0 87,-3.0 89,-1.6 -2,-0.4 2,-0.1 -0.718 12.8 176.2-122.7 81.4 2.1 -17.6 10.5 69 72 A P E - e 0 157A 5 0, 0.0 39,-0.5 0, 0.0 2,-0.3 -0.481 12.0-156.3 -82.3 152.6 -0.8 -15.6 11.9 70 73 A N - 0 0 2 87,-1.6 89,-0.3 -2,-0.1 39,-0.1 -0.906 17.1-144.5-127.4 158.0 -3.2 -17.0 14.5 71 74 A T + 0 0 10 37,-0.4 2,-0.2 -2,-0.3 87,-0.1 0.050 49.7 140.9-109.2 24.7 -6.8 -15.9 15.4 72 75 A V + 0 0 5 6,-0.2 90,-1.0 90,-0.1 87,-0.4 -0.499 18.8 164.6 -73.5 133.0 -6.5 -16.6 19.1 73 76 A G > + 0 0 31 3,-0.3 3,-2.6 -2,-0.2 87,-0.1 -0.982 64.9 7.5-145.3 144.9 -8.2 -14.2 21.4 74 77 A G T 3 S- 0 0 28 -2,-0.3 39,-0.1 1,-0.3 86,-0.1 0.716 121.3 -75.3 54.9 23.7 -9.2 -14.5 25.1 75 78 A Y T 3 S+ 0 0 8 1,-0.2 38,-2.5 37,-0.1 -1,-0.3 0.769 101.8 135.5 57.5 27.7 -7.2 -17.8 25.1 76 79 A L < - 0 0 56 -3,-2.6 -3,-0.3 36,-0.3 -1,-0.2 -0.453 67.9 -67.5 -94.8 172.1 -10.2 -19.3 23.2 77 80 A P - 0 0 35 0, 0.0 34,-0.2 0, 0.0 -4,-0.2 -0.299 45.5-150.7 -61.5 146.3 -9.9 -21.6 20.2 78 81 A G B -L 110 0D 0 32,-3.1 32,-3.0 -6,-0.1 -6,-0.2 -0.902 10.6-143.6-124.4 102.3 -8.5 -19.9 17.1 79 82 A P - 0 0 35 0, 0.0 -8,-0.2 0, 0.0 2,-0.1 -0.222 35.3 -87.3 -62.3 150.8 -9.7 -21.3 13.7 80 83 A A - 0 0 15 -41,-0.2 29,-0.1 -39,-0.1 28,-0.1 -0.400 52.7-129.1 -60.3 127.3 -7.4 -21.5 10.7 81 84 A D - 0 0 2 -12,-0.3 26,-0.2 27,-0.2 -38,-0.1 -0.205 21.9-165.4 -78.5 171.1 -7.7 -18.2 8.9 82 85 A D > - 0 0 22 -55,-0.0 3,-1.8 1,-0.0 13,-0.1 -0.983 31.2-125.9-155.8 141.3 -8.3 -17.6 5.2 83 86 A P T 3 S+ 0 0 0 0, 0.0 13,-0.1 0, 0.0 -1,-0.0 0.715 117.0 47.6 -64.6 -16.2 -8.0 -14.5 2.9 84 87 A Q T 3 S+ 0 0 85 -70,-0.0 2,-0.2 12,-0.0 9,-0.0 0.299 87.3 113.3-104.3 6.5 -11.6 -15.1 2.0 85 88 A R < + 0 0 63 -3,-1.8 7,-0.2 1,-0.1 8,-0.1 -0.556 31.0 167.8 -78.6 143.2 -12.9 -15.5 5.5 86 89 A V + 0 0 90 -2,-0.2 2,-0.3 6,-0.1 -1,-0.1 0.413 43.1 106.2-130.8 -8.6 -15.2 -12.8 6.9 87 90 A T S S- 0 0 66 2,-0.1 149,-0.2 1,-0.1 148,-0.1 -0.606 80.1 -75.8 -82.4 131.2 -16.5 -14.5 10.0 88 91 A W S S+ 0 0 133 147,-3.1 -1,-0.1 -2,-0.3 -2,-0.1 -0.402 112.9 44.8 -63.7 135.3 -15.1 -13.2 13.4 89 92 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.498 87.1 125.7 -91.2 140.5 -12.4 -13.9 14.5 90 93 A T - 0 0 42 -4,-0.1 3,-0.1 -9,-0.1 -2,-0.0 -0.996 45.3-166.4-156.2 152.2 -10.4 -13.2 11.3 91 94 A N >> + 0 0 35 -2,-0.3 4,-1.5 1,-0.1 3,-0.9 -0.239 44.4 140.0-128.4 37.0 -7.4 -11.3 10.0 92 95 A A H 3> + 0 0 8 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.858 66.3 57.7 -50.7 -44.3 -8.3 -12.0 6.4 93 96 A G H 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.864 104.4 52.8 -58.5 -35.6 -7.4 -8.6 5.2 94 97 A T H <> S+ 0 0 9 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.897 108.9 48.7 -67.5 -38.7 -3.9 -9.1 6.6 95 98 A I H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.915 109.8 52.7 -66.6 -42.1 -3.5 -12.3 4.6 96 99 A Q H X S+ 0 0 43 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.944 113.6 42.9 -56.4 -50.1 -4.7 -10.6 1.5 97 100 A Q H X S+ 0 0 65 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.849 111.3 55.4 -65.7 -36.4 -2.1 -7.8 1.9 98 101 A A H X>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.5 0.933 108.4 47.7 -62.5 -46.1 0.6 -10.3 2.8 99 102 A L H ><5S+ 0 0 3 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.905 110.4 51.5 -61.4 -42.4 0.0 -12.3 -0.4 100 103 A K H 3<5S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 108.1 54.0 -62.1 -32.6 0.1 -9.0 -2.4 101 104 A R H 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.570 124.5-106.5 -77.7 -11.6 3.4 -8.3 -0.6 102 105 A G T <<5S+ 0 0 0 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.2 0.541 71.8 140.5 97.7 8.3 4.8 -11.7 -1.7 103 106 A Y < - 0 0 0 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.568 50.0-131.1 -85.6 147.7 4.6 -13.6 1.6 104 107 A V E - d 0 66A 0 -39,-2.9 -37,-2.5 -2,-0.2 2,-0.4 -0.737 27.4-150.4 -89.6 145.5 3.6 -17.2 1.8 105 108 A V E -Cd 45 67A 0 -60,-2.7 -60,-3.0 -2,-0.3 2,-0.5 -0.981 19.9-177.0-127.6 128.4 0.9 -17.6 4.6 106 109 A V E -C 44 0A 1 -39,-2.2 2,-0.7 -2,-0.4 -62,-0.2 -0.964 10.2-170.2-121.9 109.6 0.3 -20.7 6.7 107 110 A A E -C 43 0A 0 -64,-2.3 -64,-2.4 -2,-0.5 2,-0.3 -0.895 8.2-164.6-106.3 107.3 -2.7 -20.1 9.0 108 111 A A E -C 42 0A 4 -2,-0.7 -37,-0.4 -39,-0.5 2,-0.3 -0.692 19.3-123.4 -96.2 143.4 -3.1 -22.8 11.6 109 112 A G - 0 0 0 -68,-3.5 2,-0.4 -2,-0.3 27,-0.1 -0.623 30.2-156.5 -80.1 142.4 -6.1 -23.6 13.8 110 113 A I B -L 78 0D 0 -32,-3.0 -32,-3.1 -2,-0.3 19,-0.1 -0.983 13.6-120.5-129.0 129.9 -5.3 -23.5 17.5 111 114 A R - 0 0 22 -2,-0.4 2,-0.3 17,-0.3 21,-0.1 -0.231 32.5-162.1 -61.7 153.9 -7.1 -25.2 20.4 112 115 A G > - 0 0 2 -35,-0.1 3,-2.6 16,-0.1 -36,-0.3 -0.833 37.5 -84.3-134.4 172.8 -8.5 -23.0 23.1 113 116 A R T 3 S+ 0 0 41 -38,-2.5 11,-0.2 1,-0.3 12,-0.2 0.657 125.9 49.5 -52.4 -19.8 -9.7 -23.3 26.7 114 117 A T T 3 S+ 0 0 81 10,-0.2 -1,-0.3 -39,-0.1 2,-0.1 0.475 82.6 118.8-100.0 -2.5 -13.2 -24.3 25.6 115 118 A T < - 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0 0 62 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.597 50.9-124.5 -81.4 138.5 -3.4 14.1 15.0 310 313 A D - 0 0 118 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.701 26.3-178.2 -81.4 128.3 -5.2 16.2 17.7 311 314 A I > + 0 0 15 -2,-0.4 3,-0.8 1,-0.1 6,-0.2 0.209 53.1 104.2-113.6 16.2 -4.1 15.0 21.1 312 315 A H T 3 + 0 0 169 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.522 60.9 89.6 -74.2 -2.7 -6.2 17.3 23.3 313 316 A K T 3 S+ 0 0 131 -3,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.803 82.5 49.1 -63.3 -40.3 -8.5 14.2 24.0 314 317 A Y S < S- 0 0 32 -3,-0.8 3,-0.4 1,-0.0 18,-0.1 -0.815 83.4-119.6-108.0 150.3 -6.7 12.9 27.0 315 318 A A S S+ 0 0 51 -2,-0.3 20,-0.1 16,-0.3 21,-0.1 -0.383 79.8 48.6 -83.8 161.0 -5.6 14.7 30.2 316 319 A G S S+ 0 0 24 1,-0.3 12,-2.1 15,-0.1 -1,-0.2 0.078 70.2 122.5 105.0 -24.9 -2.1 15.2 31.5 317 320 A F E -S 327 0J 34 -3,-0.4 2,-0.5 10,-0.2 -1,-0.3 -0.438 42.8-154.4 -80.5 148.7 0.1 16.3 28.6 318 321 A V E -S 326 0J 69 8,-2.4 7,-2.2 -2,-0.1 8,-1.2 -0.981 11.0-164.0-120.2 125.7 2.2 19.4 28.4 319 322 A V E -S 324 0J 68 -2,-0.5 2,-0.5 5,-0.3 5,-0.2 -0.930 10.5-177.3-116.0 134.8 3.0 21.0 25.1 320 323 A T E > -S 323 0J 86 3,-3.1 3,-2.2 -2,-0.4 2,-0.3 -0.976 69.5 -41.2-129.1 113.7 5.7 23.5 24.3 321 324 A G T 3 S- 0 0 69 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.544 125.0 -27.2 67.8-126.5 5.9 24.7 20.8 322 325 A N T 3 S+ 0 0 114 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.229 121.7 96.2-102.8 11.3 5.4 21.6 18.6 323 326 A Q E < S-S 320 0J 99 -3,-2.2 -3,-3.1 -18,-0.0 2,-0.9 -0.865 71.6-134.9-112.4 138.2 6.8 19.3 21.3 324 327 A V E +S 319 0J 10 -2,-0.4 -5,-0.3 -5,-0.2 -22,-0.1 -0.770 33.0 175.4 -82.4 108.0 5.1 17.2 24.0 325 328 A T E + 0 0 71 -7,-2.2 2,-0.3 -2,-0.9 -6,-0.2 0.586 51.8 2.3 -96.9 -11.9 7.4 18.2 26.9 326 329 A D E -S 318 0J 84 -8,-1.2 -8,-2.4 -28,-0.1 2,-0.3 -0.988 52.8-150.6-164.7 168.8 5.8 16.4 29.9 327 330 A L E -S 317 0J 6 -2,-0.3 2,-1.3 -10,-0.2 -10,-0.2 -0.956 16.9-144.8-153.9 130.0 3.1 14.2 31.2 328 331 A D > - 0 0 92 -12,-2.1 4,-2.2 -2,-0.3 3,-0.4 -0.794 25.5-168.0 -90.3 92.4 1.1 13.8 34.4 329 332 A L H > S+ 0 0 4 -2,-1.3 4,-2.7 1,-0.2 5,-0.2 0.877 81.8 54.4 -52.6 -44.4 0.9 10.0 34.1 330 333 A S H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 109.7 48.6 -58.4 -40.7 -1.7 9.7 36.9 331 334 A A H > S+ 0 0 29 -3,-0.4 4,-2.0 2,-0.2 -16,-0.3 0.908 110.5 50.3 -65.7 -43.4 -3.9 12.2 35.2 332 335 A Y H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -17,-0.2 0.943 110.3 50.3 -59.5 -48.7 -3.6 10.4 31.8 333 336 A L H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.870 108.8 50.5 -59.2 -39.9 -4.5 7.1 33.4 334 337 A K H < S+ 0 0 154 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.904 112.8 47.9 -65.2 -38.6 -7.6 8.5 35.1 335 338 A S H < S+ 0 0 48 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.904 111.8 49.1 -66.1 -42.8 -8.6 9.9 31.7 336 339 A L H < S- 0 0 11 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.890 108.1-144.9 -61.4 -42.1 -7.9 6.6 30.0 337 340 A T < - 0 0 41 -4,-2.5 2,-0.3 -5,-0.2 -114,-0.1 0.282 13.7 -83.3 84.0 151.8 -10.0 4.8 32.8 338 341 A R B -q 223 0H 0 -116,-0.7 -114,-2.4 1,-0.1 80,-0.1 -0.686 35.1-173.9 -85.4 136.1 -9.7 1.4 34.5 339 342 A M + 0 0 22 78,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.857 62.5 46.5 -97.0 -45.8 -11.1 -1.5 32.6 340 343 A K S S- 0 0 12 77,-0.4 4,-0.2 1,-0.1 -1,-0.1 -0.707 70.8-133.1-105.2 153.1 -10.8 -4.5 35.0 341 344 A A - 0 0 23 -2,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.130 53.9 -39.1 -81.2-158.7 -11.6 -4.9 38.7 342 345 A V S S+ 0 0 8 1,-0.2 2,-0.1 2,-0.1 6,-0.1 -0.968 130.9 21.5-126.5 125.9 -9.4 -6.5 41.3 343 346 A P S S- 0 0 8 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.617 82.3-164.5 -72.8 154.5 -7.7 -8.8 40.8 344 347 A A S S+ 0 0 5 -4,-0.2 3,-0.2 -2,-0.1 -3,-0.2 0.784 81.1 11.8 -79.6 -28.0 -7.8 -8.1 37.1 345 348 A F S S+ 0 0 0 1,-0.2 2,-1.5 -139,-0.1 10,-0.4 0.775 123.9 50.1-115.9 -54.8 -6.6 -11.6 36.0 346 349 A D S S- 0 0 0 -140,-0.2 -1,-0.2 8,-0.1 -2,-0.1 -0.647 79.6-161.8 -91.0 83.7 -6.6 -14.1 38.8 347 350 A Q > - 0 0 53 -2,-1.5 3,-1.8 -3,-0.2 5,-0.1 -0.367 23.1-126.6 -67.1 142.4 -10.1 -13.6 40.1 348 351 A L T 3 S+ 0 0 21 1,-0.3 29,-2.2 -6,-0.1 30,-0.7 0.742 110.5 47.9 -61.4 -24.2 -10.8 -14.9 43.6 349 352 A D T 3 S- 0 0 68 27,-0.2 -1,-0.3 28,-0.2 -2,-0.1 0.253 112.1-116.9-101.6 11.9 -13.8 -16.9 42.3 350 353 A L S < S+ 0 0 30 -3,-1.8 -2,-0.1 1,-0.1 16,-0.1 0.662 75.6 127.4 64.5 21.6 -12.0 -18.4 39.3 351 354 A T + 0 0 90 4,-0.1 -1,-0.1 14,-0.1 -5,-0.1 0.397 37.2 101.2 -93.0 5.6 -14.3 -16.7 36.8 352 355 A S S > S- 0 0 2 -7,-0.2 4,-1.9 -5,-0.1 5,-0.2 -0.423 80.9-114.8 -86.9 164.0 -11.7 -15.0 34.5 353 356 A P H > S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.892 119.8 52.5 -61.3 -38.7 -10.6 -16.3 31.0 354 357 A E H > S+ 0 0 11 2,-0.2 4,-1.7 -9,-0.2 12,-0.2 0.857 104.5 54.2 -66.1 -37.1 -7.1 -16.8 32.5 355 358 A N H 4 S+ 0 0 0 -10,-0.4 11,-2.0 1,-0.2 -1,-0.2 0.927 111.5 46.1 -61.5 -42.9 -8.5 -18.8 35.4 356 359 A N H >< S+ 0 0 31 -4,-1.9 3,-1.5 9,-0.2 -2,-0.2 0.846 106.1 59.9 -67.0 -36.0 -10.2 -21.1 32.8 357 360 A L H 3< S+ 0 0 2 -4,-2.1 -231,-2.4 1,-0.3 -1,-0.2 0.893 106.0 48.8 -59.0 -39.4 -6.9 -21.2 30.8 358 361 A F T 3< S+ 0 0 3 -4,-1.7 -1,-0.3 8,-0.3 -2,-0.2 0.319 88.7 104.9 -86.8 9.6 -5.2 -22.7 33.8 359 362 A G < - 0 0 3 -3,-1.5 5,-0.2 5,-0.4 2,-0.2 -0.246 51.9-171.3 -76.5 176.5 -7.8 -25.4 34.4 360 363 A D - 0 0 51 3,-2.7 -238,-0.1 5,-0.1 -1,-0.1 -0.736 43.6 -46.2-148.6-160.3 -7.0 -28.9 33.5 361 364 A A S S+ 0 0 78 -2,-0.2 -239,-0.2 1,-0.2 3,-0.1 0.763 136.4 18.7 -50.1 -32.9 -8.3 -32.5 33.1 362 365 A T S S+ 0 0 122 1,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.654 118.6 63.1-115.0 -20.9 -10.1 -32.4 36.4 363 366 A A - 0 0 9 1,-0.1 -3,-2.7 -5,-0.1 -1,-0.2 -0.922 60.7-155.0-111.3 127.0 -10.4 -28.7 37.3 364 367 A K S S- 0 0 149 -2,-0.5 -5,-0.4 -5,-0.2 2,-0.3 0.864 82.7 -1.9 -64.0 -35.2 -12.4 -26.3 35.1 365 368 A A - 0 0 17 -7,-0.2 16,-0.4 -6,-0.1 2,-0.3 -0.977 65.3-168.1-152.6 160.3 -10.3 -23.4 36.4 366 369 A K - 0 0 21 -11,-2.0 -8,-0.3 -2,-0.3 2,-0.2 -0.928 27.2-107.0-145.1 168.0 -7.4 -22.7 38.8 367 370 A H B -t 382 0K 0 14,-2.5 16,-3.0 -2,-0.3 3,-0.1 -0.575 19.4-166.6 -90.6 162.1 -5.6 -19.8 40.4 368 371 A F + 0 0 4 -2,-0.2 2,-0.3 14,-0.2 14,-0.1 0.104 66.0 63.1-137.7 20.4 -2.1 -18.9 39.1 369 372 A T S > S- 0 0 20 1,-0.1 4,-1.7 -161,-0.0 5,-0.2 -0.990 76.3-129.0-144.6 145.8 -0.9 -16.6 41.9 370 373 A A H > S+ 0 0 70 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.892 107.4 58.2 -62.8 -39.2 -0.3 -17.2 45.6 371 374 A L H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 109.1 41.3 -56.9 -52.1 -2.4 -14.2 46.5 372 375 A A H 4 S+ 0 0 0 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.829 114.5 52.5 -68.2 -32.0 -5.6 -15.4 44.8 373 376 A Q H >< S+ 0 0 56 -4,-1.7 3,-1.1 2,-0.2 -2,-0.2 0.955 112.0 45.8 -67.4 -48.3 -5.1 -19.0 46.0 374 377 A T H 3< S+ 0 0 111 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.890 122.8 35.8 -60.5 -41.0 -4.8 -17.7 49.6 375 378 A R T 3< S+ 0 0 117 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.192 84.6 148.0-100.4 17.0 -7.8 -15.4 49.3 376 379 A S < - 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