==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JAN-13 4J0K . COMPND 2 MOLECULE: TANNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; . AUTHOR B.REN,M.WU,Q.WANG,X.PENG,H.WEN,Q.CHEN,W.J.MCKINSTRY . 924 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 4 2 2 2 2 1 2 5 0 0 2 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 3 0 2 5 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 . 10 0 1 4 0 2 2 1 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 . 2 2 0 0 0 0 0 1 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 0 A S > 0 0 86 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.8 33.2 125.0 72.9 2 1 A M T 3 + 0 0 128 1,-0.3 36,-0.1 3,-0.1 35,-0.1 0.480 360.0 78.6 -77.4 -1.2 36.8 124.9 74.0 3 2 A S T 3 S+ 0 0 101 34,-0.2 2,-0.8 2,-0.0 -1,-0.3 0.706 71.5 92.7 -73.6 -21.2 35.9 127.0 77.0 4 3 A N < - 0 0 45 -3,-1.3 33,-0.1 1,-0.2 34,-0.0 -0.663 61.3-169.9 -74.2 108.6 34.5 123.8 78.5 5 4 A R - 0 0 130 -2,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.550 29.7-131.4 -81.8 -6.5 37.5 122.7 80.5 6 5 A L + 0 0 4 1,-0.2 2,-0.6 28,-0.1 -2,-0.1 0.820 56.7 148.0 57.2 32.7 35.8 119.3 81.2 7 6 A I - 0 0 82 143,-0.0 -1,-0.2 140,-0.0 2,-0.2 -0.887 40.5-142.4-102.3 117.5 36.7 119.8 84.9 8 7 A F - 0 0 3 -2,-0.6 2,-0.4 135,-0.2 143,-0.0 -0.492 11.0-160.3 -76.6 145.7 34.3 118.2 87.3 9 8 A D > - 0 0 77 -2,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.957 15.8-151.1-131.2 116.1 33.5 120.1 90.6 10 9 A A G > S+ 0 0 35 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.660 93.3 76.0 -55.7 -17.4 32.0 118.2 93.6 11 10 A D G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.575 82.1 68.0 -71.7 -8.8 30.3 121.5 94.6 12 11 A W G < S+ 0 0 122 -3,-2.6 -1,-0.3 2,-0.0 2,-0.2 0.690 77.9 104.7 -78.9 -20.0 27.9 120.9 91.8 13 12 A L < - 0 0 12 -3,-1.4 17,-0.2 -4,-0.3 36,-0.1 -0.438 52.6-172.8 -70.0 125.6 26.5 118.0 93.8 14 13 A V E -A 29 0A 74 15,-2.3 15,-2.1 -2,-0.2 2,-0.1 -0.951 26.2-104.1-123.3 144.5 23.2 118.7 95.4 15 14 A P E +A 28 0A 88 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.387 45.6 154.4 -77.5 139.7 21.3 116.5 97.9 16 15 A E E -A 27 0A 43 11,-3.3 11,-2.6 -2,-0.1 2,-0.3 -0.887 22.0-151.2-144.0 171.3 18.2 114.5 97.0 17 16 A Q E -A 26 0A 74 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.954 1.8-159.1-141.1 164.7 16.5 111.4 98.2 18 17 A V E -A 25 0A 14 7,-1.3 7,-3.1 -2,-0.3 2,-0.8 -0.970 19.5-132.5-145.2 132.8 14.4 108.6 96.7 19 18 A Q E +A 24 0A 153 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.771 39.0 161.8 -86.9 110.4 12.0 106.3 98.7 20 19 A V E > -A 23 0A 12 3,-3.3 3,-0.7 -2,-0.8 -2,-0.1 -0.979 57.2 -14.2-136.5 123.8 12.6 102.7 97.6 21 20 A A T 3 S- 0 0 86 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.929 127.5 -42.8 59.5 55.7 11.7 99.4 99.2 22 21 A G T 3 S+ 0 0 88 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.571 125.5 87.9 70.8 9.2 10.8 100.7 102.7 23 22 A Q E < S-A 20 0A 112 -3,-0.7 -3,-3.3 -5,-0.0 2,-0.5 -0.999 71.1-133.0-141.8 141.1 13.8 103.0 102.8 24 23 A A E -A 19 0A 46 -2,-0.4 2,-0.6 -5,-0.3 -5,-0.3 -0.791 26.2-149.4 -84.7 132.5 14.7 106.5 101.8 25 24 A I E -A 18 0A 15 -7,-3.1 -7,-1.3 -2,-0.5 2,-0.4 -0.925 7.5-147.8-107.7 118.4 18.0 106.5 99.9 26 25 A Q E +A 17 0A 102 -2,-0.6 26,-2.2 -9,-0.2 27,-0.3 -0.699 31.6 146.7 -91.5 132.5 20.0 109.7 100.3 27 26 A Y E -AB 16 51A 1 -11,-2.6 -11,-3.3 -2,-0.4 2,-0.3 -0.908 39.2-120.8-149.7 173.7 22.2 110.8 97.5 28 27 A Y E -AB 15 50A 36 22,-2.6 22,-2.7 -2,-0.3 2,-0.4 -0.922 25.0-157.5-121.2 153.9 23.7 113.8 95.6 29 28 A A E -AB 14 49A 1 -15,-2.1 -15,-2.3 -2,-0.3 2,-0.3 -0.967 19.1-177.4-134.6 144.2 23.2 114.7 92.0 30 29 A A E - B 0 48A 5 18,-2.0 18,-2.2 -2,-0.4 3,-0.3 -0.917 28.3-167.3-137.9 111.5 25.0 116.8 89.3 31 30 A R E + 0 0 80 -2,-0.3 16,-0.2 16,-0.2 55,-0.0 -0.615 49.9 17.4-107.3 158.1 23.0 116.8 86.1 32 31 A N E + 0 0 113 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.840 66.9 175.7 60.7 41.4 23.5 117.7 82.4 33 32 A I E - B 0 46A 14 13,-2.5 13,-1.5 -3,-0.3 2,-0.7 -0.695 32.1-131.1 -80.5 117.0 27.3 117.8 82.4 34 33 A Q E - B 0 45A 81 -2,-0.6 11,-0.2 11,-0.2 -28,-0.1 -0.586 25.2-172.1 -66.2 110.1 28.6 118.5 78.9 35 34 A Y + 0 0 0 -2,-0.7 157,-0.5 9,-0.7 2,-0.3 0.535 63.1 46.4 -94.4 -5.7 31.2 115.7 78.7 36 35 A V B S-J 191 0B 0 8,-0.4 155,-0.2 155,-0.1 154,-0.2 -0.973 75.2-131.8-127.9 153.3 32.8 116.8 75.4 37 36 A Q S S+ 0 0 31 153,-2.1 153,-0.2 -2,-0.3 -33,-0.2 0.828 103.5 34.5 -66.7 -33.5 34.0 120.2 74.2 38 37 A H S S+ 0 0 85 151,-3.5 -1,-0.3 -36,-0.1 153,-0.1 -0.581 77.2 178.9-126.4 69.3 32.3 119.9 70.8 39 38 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.408 18.0-161.7 -71.0 148.7 29.1 118.0 71.2 40 39 A V S S+ 0 0 59 1,-0.2 2,-0.3 87,-0.1 82,-0.3 0.485 74.1 39.4-104.6 -6.8 27.0 117.5 68.0 41 40 A A S > S- 0 0 13 80,-0.1 3,-2.2 1,-0.1 -1,-0.2 -1.000 74.7-126.6-146.4 143.9 23.7 116.6 69.8 42 41 A A T 3 S+ 0 0 95 -2,-0.3 71,-0.1 1,-0.3 -1,-0.1 0.732 106.2 69.9 -60.8 -23.2 21.9 117.8 72.9 43 42 A I T 3 S+ 0 0 36 1,-0.2 2,-2.3 40,-0.1 -1,-0.3 0.654 72.5 98.6 -69.6 -13.5 21.7 114.2 74.2 44 43 A Q < + 0 0 0 -3,-2.2 -9,-0.7 68,-0.1 -8,-0.4 -0.341 59.5 98.9 -79.5 62.4 25.5 114.4 74.8 45 44 A V E -B 34 0A 13 -2,-2.3 68,-3.3 -11,-0.2 2,-0.3 -0.885 56.7-143.9-133.5 170.3 25.4 115.1 78.5 46 45 A L E -BC 33 112A 0 -13,-1.5 -13,-2.5 -2,-0.3 2,-0.3 -0.974 3.7-141.7-137.4 149.4 25.9 112.9 81.5 47 46 A N E - C 0 111A 6 64,-2.6 64,-1.7 -2,-0.3 2,-0.4 -0.810 12.8-154.5-104.4 150.8 24.4 112.8 85.0 48 47 A V E -BC 30 110A 0 -18,-2.2 -18,-2.0 -2,-0.3 2,-0.4 -0.995 9.0-172.2-127.0 132.9 26.4 111.9 88.2 49 48 A F E -BC 29 109A 0 60,-2.8 60,-2.1 -2,-0.4 -20,-0.2 -0.986 3.0-172.2-129.3 136.2 24.9 110.5 91.3 50 49 A V E -B 28 0A 0 -22,-2.7 -22,-2.6 -2,-0.4 58,-0.1 -0.984 30.9-111.1-136.9 128.1 26.6 109.9 94.6 51 50 A P E > -B 27 0A 4 0, 0.0 3,-1.9 0, 0.0 -24,-0.3 -0.315 34.5-124.9 -53.7 133.9 25.7 108.2 97.8 52 51 A A G > S+ 0 0 15 -26,-2.2 3,-2.6 1,-0.3 4,-0.2 0.850 104.5 68.6 -54.3 -39.9 25.3 111.0 100.4 53 52 A A G > >S+ 0 0 22 -27,-0.3 5,-1.5 1,-0.3 3,-1.4 0.754 89.0 65.6 -50.1 -28.5 27.7 109.4 102.8 54 53 A Y G < 5S+ 0 0 9 -3,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.573 100.7 48.9 -77.8 -9.6 30.6 110.2 100.4 55 54 A L G < 5S+ 0 0 57 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.253 111.1 51.8-107.0 9.2 30.1 113.9 100.9 56 55 A H T < 5S- 0 0 117 -3,-1.4 -2,-0.2 -4,-0.2 -1,-0.1 -0.005 118.6 -99.8-133.4 26.2 30.1 113.5 104.7 57 56 A G T 5S+ 0 0 83 -3,-0.2 -3,-0.2 1,-0.2 -4,-0.1 0.219 86.1 120.0 78.7 -14.6 33.3 111.6 105.3 58 57 A S < - 0 0 68 -5,-1.5 7,-0.3 -6,-0.1 2,-0.2 -0.056 53.4-125.3 -91.3 179.3 31.3 108.3 105.6 59 58 A S - 0 0 63 5,-0.1 2,-0.3 -3,-0.1 5,-0.2 -0.754 6.2-155.4-120.5 163.6 31.1 104.9 104.0 60 59 A V B > S-K 63 0C 34 3,-2.1 3,-1.8 -2,-0.2 45,-0.0 -0.947 76.4 -19.0-140.7 120.7 28.5 102.6 102.3 61 60 A N T 3 S- 0 0 70 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.870 127.6 -49.0 57.0 39.8 28.8 98.8 102.0 62 61 A G T 3 S+ 0 0 53 1,-0.3 2,-0.3 394,-0.0 -1,-0.3 0.480 117.7 110.3 80.9 1.7 32.6 98.8 102.6 63 62 A Y B < -K 60 0C 3 -3,-1.8 -3,-2.1 3,-0.0 -1,-0.3 -0.766 44.9-169.5-107.1 156.2 33.2 101.5 100.1 64 63 A Q > - 0 0 86 -2,-0.3 4,-2.2 -5,-0.2 3,-0.3 -0.732 45.2 -83.5-127.9-177.7 34.3 105.2 100.5 65 64 A R T 4 S+ 0 0 80 -7,-0.3 88,-4.2 -2,-0.2 84,-0.1 0.831 128.5 39.6 -56.5 -37.4 34.5 108.2 98.2 66 65 A A T 4 S+ 0 0 68 86,-0.2 -1,-0.2 1,-0.1 89,-0.1 0.688 123.7 38.2 -87.9 -19.2 37.9 107.2 96.9 67 66 A T T 4 S+ 0 0 54 -3,-0.3 -2,-0.2 87,-0.1 -1,-0.1 0.615 82.1 120.1-107.9 -16.1 37.2 103.5 96.6 68 67 A A < - 0 0 0 -4,-2.2 86,-3.8 1,-0.1 89,-0.2 -0.139 66.5-109.8 -60.2 143.6 33.6 103.1 95.4 69 68 A P - 0 0 1 0, 0.0 39,-2.6 0, 0.0 2,-0.7 -0.374 24.5-134.2 -63.6 151.4 32.8 101.4 92.1 70 69 A I E -de 108 158A 1 87,-2.4 89,-2.4 84,-0.4 2,-0.5 -0.908 16.1-157.7-111.6 103.9 31.6 103.6 89.3 71 70 A L E -de 109 159A 2 37,-2.9 39,-2.4 -2,-0.7 89,-0.2 -0.698 6.7-170.2 -80.2 122.7 28.6 102.1 87.6 72 71 A M E + e 0 160A 0 87,-2.6 89,-1.4 -2,-0.5 39,-0.1 -0.711 14.1 174.2-116.0 79.6 28.2 103.4 84.1 73 72 A P E - e 0 161A 4 0, 0.0 39,-0.6 0, 0.0 2,-0.3 -0.369 13.9-153.2 -77.6 160.1 24.8 102.2 82.9 74 73 A N - 0 0 4 87,-1.1 89,-0.3 37,-0.1 39,-0.1 -0.946 18.5-142.4-131.6 159.7 23.2 103.3 79.6 75 74 A T + 0 0 9 37,-0.4 2,-0.3 -2,-0.3 87,-0.1 0.061 51.9 140.9-104.9 23.7 19.6 103.5 78.4 76 75 A V + 0 0 6 6,-0.2 90,-1.1 89,-0.1 87,-0.4 -0.509 18.8 164.5 -73.5 127.2 20.4 102.3 74.8 77 76 A G > + 0 0 30 -2,-0.3 3,-2.2 3,-0.2 87,-0.1 -0.996 66.4 2.1-140.8 140.2 17.8 100.0 73.2 78 77 A G T 3 S- 0 0 33 -2,-0.3 86,-0.1 1,-0.3 -1,-0.1 0.734 121.4 -73.0 57.0 24.1 17.4 99.1 69.5 79 78 A Y T 3 S+ 0 0 6 1,-0.2 38,-2.4 37,-0.1 -1,-0.3 0.729 101.6 136.6 61.3 22.4 20.5 101.2 68.8 80 79 A L < - 0 0 45 -3,-2.2 -3,-0.2 36,-0.3 -1,-0.2 -0.377 67.5 -69.8 -85.7 170.4 18.3 104.2 69.4 81 80 A P - 0 0 30 0, 0.0 34,-0.2 0, 0.0 -4,-0.2 -0.403 44.0-148.9 -64.0 139.5 19.5 107.2 71.4 82 81 A G B -L 114 0D 0 32,-2.6 32,-2.3 -6,-0.1 -6,-0.2 -0.879 12.9-142.4-113.9 102.8 19.9 106.6 75.2 83 82 A P - 0 0 38 0, 0.0 -8,-0.2 0, 0.0 2,-0.1 -0.184 36.2 -85.3 -60.6 150.7 19.2 109.7 77.3 84 83 A A - 0 0 15 -41,-0.3 28,-0.2 -39,-0.1 29,-0.1 -0.364 57.3-129.6 -51.6 122.2 21.3 110.4 80.4 85 84 A D - 0 0 3 -12,-0.2 26,-0.2 27,-0.1 -38,-0.1 -0.148 24.6-169.4 -82.4 179.3 19.5 108.4 83.1 86 85 A D > - 0 0 24 3,-0.0 3,-2.1 -55,-0.0 10,-0.2 -0.934 32.8-128.3-171.1 129.3 18.3 109.5 86.5 87 86 A P T 3 S+ 0 0 2 0, 0.0 13,-0.1 0, 0.0 -1,-0.0 0.694 115.1 53.7 -62.6 -16.0 16.9 107.8 89.6 88 87 A Q T 3 S+ 0 0 89 -70,-0.0 2,-0.2 -3,-0.0 9,-0.0 0.403 86.0 116.0 -95.4 0.6 14.0 110.2 89.5 89 88 A R < + 0 0 59 -3,-2.1 7,-0.1 1,-0.1 8,-0.1 -0.462 28.1 162.9 -76.8 138.7 13.3 109.3 85.9 90 89 A V + 0 0 133 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.288 48.0 95.0-135.3 5.5 9.9 107.7 85.0 91 90 A T S S- 0 0 80 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 -0.821 84.8 -62.5 -99.3 141.4 9.7 108.3 81.2 92 91 A W S S+ 0 0 207 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.0 -0.357 111.4 36.0 -66.0 141.2 10.9 105.6 78.8 93 92 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.590 83.7 128.7 -95.9 147.8 13.6 104.5 78.5 94 93 A T - 0 0 44 -4,-0.1 3,-0.1 -9,-0.1 -10,-0.0 -0.993 44.5-164.0-157.8 148.0 15.1 104.3 82.0 95 94 A N >> + 0 0 41 -2,-0.3 4,-2.0 1,-0.1 3,-1.0 -0.168 45.2 139.7-117.0 35.2 16.8 102.1 84.5 96 95 A A H 3> + 0 0 8 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.830 68.1 57.5 -48.5 -40.5 16.1 104.5 87.4 97 96 A G H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.885 106.4 48.6 -61.0 -41.5 15.3 101.5 89.7 98 97 A T H <> S+ 0 0 10 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.913 110.0 52.0 -62.9 -43.8 18.8 100.1 89.1 99 98 A I H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.909 108.5 51.2 -59.7 -43.0 20.3 103.5 89.8 100 99 A Q H X S+ 0 0 38 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.947 113.1 45.2 -57.2 -48.9 18.4 103.7 93.0 101 100 A Q H X S+ 0 0 58 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.846 110.0 53.8 -66.4 -36.2 19.7 100.2 94.0 102 101 A A H <>S+ 0 0 0 -4,-2.7 5,-3.4 2,-0.2 4,-0.3 0.823 109.6 48.7 -68.8 -32.7 23.3 101.0 93.0 103 102 A L H ><5S+ 0 0 4 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.894 110.6 49.7 -71.2 -41.5 23.3 104.1 95.2 104 103 A K H 3<5S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.832 109.2 54.2 -63.3 -30.8 21.8 102.1 98.1 105 104 A R T 3<5S- 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.579 123.8-107.2 -79.4 -12.9 24.6 99.6 97.3 106 105 A G T < 5S+ 0 0 0 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.535 70.8 141.7 97.7 8.3 27.2 102.3 97.6 107 106 A Y < - 0 0 0 -5,-3.4 2,-0.4 -6,-0.1 -1,-0.3 -0.597 51.1-130.0 -82.3 142.3 28.1 102.7 93.9 108 107 A V E - d 0 70A 0 -39,-2.6 -37,-2.9 -2,-0.3 2,-0.4 -0.775 29.1-151.8 -77.9 134.4 28.8 106.0 92.2 109 108 A V E -Cd 49 71A 0 -60,-2.1 -60,-2.8 -2,-0.4 2,-0.5 -0.937 17.3-173.4-114.1 133.1 26.6 106.1 89.1 110 109 A V E -C 48 0A 1 -39,-2.4 2,-0.9 -2,-0.4 -62,-0.2 -0.938 8.3-168.6-124.1 104.9 27.5 108.1 86.0 111 110 A A E -C 47 0A 1 -64,-1.7 -64,-2.6 -2,-0.5 2,-0.3 -0.822 9.2-166.2-100.5 101.6 24.6 107.9 83.5 112 111 A A E -C 46 0A 4 -2,-0.9 -37,-0.4 -39,-0.6 2,-0.3 -0.667 18.0-127.0 -93.4 141.4 25.8 109.3 80.2 113 112 A G - 0 0 0 -68,-3.3 2,-0.4 -2,-0.3 27,-0.0 -0.677 28.9-162.0 -84.2 139.2 23.5 110.2 77.3 114 113 A I B -L 82 0D 0 -32,-2.3 -32,-2.6 -2,-0.3 19,-0.1 -0.977 16.9-119.5-133.0 130.1 24.4 108.5 74.0 115 114 A R - 0 0 20 -2,-0.4 2,-0.2 17,-0.3 21,-0.1 -0.248 32.8-169.5 -62.6 152.7 23.4 109.3 70.4 116 115 A G > - 0 0 1 -35,-0.1 3,-1.7 16,-0.1 -36,-0.3 -0.734 41.7 -77.3-134.2-174.0 21.5 106.7 68.5 117 116 A R T 3 S+ 0 0 42 -38,-2.4 11,-0.3 1,-0.3 12,-0.2 0.737 126.3 49.8 -64.7 -24.2 20.4 106.1 64.9 118 117 A T T 3 S+ 0 0 83 10,-0.2 -1,-0.3 -39,-0.1 -38,-0.1 0.538 83.5 118.2 -90.9 -5.2 17.6 108.7 64.9 119 118 A T < - 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0 0 42 -4,-2.1 2,-0.3 -5,-0.2 -101,-0.1 0.372 12.0 -88.2 79.8 145.5 8.9 80.3 68.9 329 341 A R B -p 227 0G 0 -103,-0.7 -101,-2.7 -4,-0.2 79,-0.1 -0.689 35.0-173.2 -84.0 136.6 10.9 82.2 66.3 330 342 A M + 0 0 27 77,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.869 60.6 47.0 -99.0 -45.7 10.8 86.0 66.6 331 343 A K S S- 0 0 14 76,-0.4 4,-0.2 1,-0.1 -1,-0.1 -0.724 70.5-132.0-105.1 151.1 12.4 87.4 63.5 332 344 A A - 0 0 20 -2,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.163 54.6 -39.5 -77.2-158.7 12.1 86.6 59.8 333 345 A V S S+ 0 0 8 1,-0.2 2,-0.1 2,-0.1 6,-0.1 -0.968 130.4 22.1-129.2 125.4 15.0 86.0 57.3 334 346 A P S S- 0 0 8 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.579 81.4-166.0 -72.1 155.5 17.4 87.6 57.4 335 347 A A S S+ 0 0 2 -4,-0.2 3,-0.2 -2,-0.1 -3,-0.2 0.829 80.8 15.2 -80.1 -33.7 16.9 88.5 61.0 336 348 A F S S+ 0 0 0 1,-0.2 2,-1.0 -126,-0.1 10,-0.3 0.828 127.2 43.7-111.8 -49.8 19.5 91.3 61.2 337 349 A D S S- 0 0 0 -127,-0.1 -1,-0.2 8,-0.1 -2,-0.1 -0.665 81.0-164.6-100.4 77.5 20.6 92.4 57.7 338 350 A Q > - 0 0 38 -2,-1.0 3,-1.1 -3,-0.2 5,-0.1 -0.231 24.0-126.7 -62.9 152.1 17.2 92.5 56.0 339 351 A L T 3 S+ 0 0 29 1,-0.3 29,-1.9 -6,-0.1 30,-0.9 0.711 109.3 49.5 -75.6 -21.3 17.2 92.6 52.2 340 352 A D T 3 S- 0 0 71 28,-0.2 -1,-0.3 27,-0.2 -2,-0.1 0.173 112.9-116.6-103.6 16.0 15.0 95.7 52.1 341 353 A L S < S+ 0 0 30 -3,-1.1 -2,-0.1 1,-0.1 16,-0.0 0.720 74.8 129.8 63.2 26.4 17.2 97.6 54.6 342 354 A T + 0 0 85 4,-0.1 -1,-0.1 14,-0.1 -5,-0.1 0.415 35.9 101.9 -97.3 4.7 14.4 97.8 57.2 343 355 A S S > S- 0 0 2 -5,-0.1 4,-2.2 -7,-0.1 5,-0.2 -0.436 79.6-116.6 -88.5 161.7 16.1 96.6 60.4 344 356 A P H > S+ 0 0 44 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.897 119.3 52.0 -56.8 -40.6 17.4 98.6 63.3 345 357 A E H > S+ 0 0 11 -9,-0.2 4,-1.8 2,-0.2 12,-0.2 0.798 105.2 54.8 -68.5 -30.3 20.9 97.3 62.4 346 358 A N H 4 S+ 0 0 0 -10,-0.3 11,-2.0 2,-0.2 -1,-0.2 0.950 112.9 43.1 -62.6 -46.9 20.5 98.4 58.8 347 359 A N H >< S+ 0 0 17 -4,-2.2 3,-1.6 9,-0.2 -2,-0.2 0.890 109.1 57.9 -64.7 -44.2 19.7 101.9 60.1 348 360 A L H 3< S+ 0 0 2 -4,-3.0 -218,-2.2 1,-0.3 -1,-0.2 0.885 106.8 48.7 -48.5 -45.9 22.5 101.7 62.6 349 361 A F T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 8,-0.3 -2,-0.2 0.341 94.5 98.2 -85.4 7.0 25.0 101.1 59.7 350 362 A G < - 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0 0 36 -3,-0.8 -27,-0.2 1,-0.2 -28,-0.1 -0.232 35.0-160.7 -58.0 134.3 19.4 93.1 48.2 368 380 A T S S+ 0 0 94 -29,-1.9 2,-0.3 -5,-0.1 -28,-0.2 0.480 78.7 46.8 -92.8 -3.8 15.8 93.9 47.2 369 381 A V S S- 0 0 54 -30,-0.9 -28,-0.1 0, 0.0 2,-0.0 -0.971 103.3 -87.8-134.4 149.2 16.6 97.6 47.3 370 382 A T + 0 0 139 -2,-0.3 2,-0.3 -30,-0.1 -2,-0.1 -0.364 68.2 153.1 -54.7 129.4 19.4 99.7 46.0 371 383 A A - 0 0 12 -7,-0.1 2,-0.3 -4,-0.1 -14,-0.1 -0.991 39.2-135.7-159.1 159.6 22.1 99.6 48.8 372 384 A Q - 0 0 108 -16,-0.3 -14,-2.1 -2,-0.3 2,-0.4 -0.875 29.2-112.7-120.2 157.4 25.7 99.9 49.7 373 385 A L B -s 358 0J 85 -2,-0.3 -14,-0.2 -16,-0.2 3,-0.1 -0.724 35.7-115.0 -89.2 133.9 27.8 97.7 52.1 374 386 A A - 0 0 5 -16,-3.2 -1,-0.1 -2,-0.4 -24,-0.1 -0.265 49.0 -76.2 -63.7 156.6 29.0 99.5 55.3 375 387 A D > - 0 0 86 -26,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.276 36.1-136.8 -57.4 133.8 32.7 99.9 55.7 376 388 A A H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.831 104.1 52.7 -64.2 -33.5 34.4 96.6 56.7 377 389 A E H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 108.7 51.4 -68.7 -35.7 36.6 98.3 59.3 378 390 A L H > S+ 0 0 23 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.957 109.7 47.3 -64.0 -54.1 33.5 99.9 60.9 379 391 A I H < S+ 0 0 15 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.906 115.7 47.5 -52.5 -45.6 31.7 96.6 61.2 380 392 A Q H >< S+ 0 0 108 -4,-1.9 3,-1.1 -5,-0.2 6,-0.3 0.876 108.8 54.5 -62.7 -40.6 34.8 95.1 62.7 381 393 A A H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.800 106.7 48.7 -70.8 -29.9 35.4 98.0 65.1 382 394 A I T 3< S+ 0 0 9 -4,-1.8 -1,-0.2 -3,-0.2 -173,-0.2 0.325 90.9 94.2 -94.9 10.8 31.9 97.8 66.7 383 395 A N X - 0 0 6 -3,-1.1 3,-1.9 -4,-0.2 4,-0.4 -0.896 65.0-152.7-102.3 114.4 32.1 94.0 67.3 384 396 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.881 92.5 65.8 -49.6 -42.3 33.4 93.1 70.8 385 397 A L G >> S+ 0 0 9 1,-0.3 4,-1.2 2,-0.2 3,-0.9 0.695 88.2 68.0 -54.5 -25.7 34.8 89.8 69.4 386 398 A S G <4 S+ 0 0 31 -3,-1.9 -1,-0.3 -6,-0.3 -5,-0.1 0.703 96.5 53.3 -70.8 -19.8 37.3 91.6 67.2 387 399 A Y G <4 S+ 0 0 20 -3,-2.1 5,-0.3 -4,-0.4 -1,-0.2 0.505 105.3 53.6 -96.2 -6.5 39.3 92.8 70.2 388 400 A L T <4 0 0 10 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.1 0.780 360.0 360.0 -94.4 -32.7 39.7 89.4 71.7 389 401 A T < 0 0 129 -4,-1.2 -3,-0.1 0, 0.0 -2,-0.1 0.888 360.0 360.0 -88.8 360.0 41.2 87.7 68.6 390 ! 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 0.0 391 404 A S 0 0 126 0, 0.0 -211,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 24.0 44.5 96.0 69.6 392 405 A S - 0 0 32 -5,-0.3 2,-0.6 -217,-0.2 -214,-0.2 -0.904 360.0 -95.4-147.0 167.7 43.3 97.2 73.0 393 406 A Q - 0 0 87 -216,-1.8 -216,-0.4 -2,-0.3 2,-0.3 -0.854 48.5-150.1 -90.7 121.2 43.5 96.7 76.7 394 407 A V - 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0 0 57 -2,-1.3 2,-0.3 -7,-1.2 -1,-0.2 0.783 51.4 -7.2 -83.2 -28.4 47.5 85.1 33.3 787 329 B D E -J 779 0S 83 -8,-1.7 -8,-2.7 -3,-0.1 2,-0.3 -0.953 54.7-140.6-157.9 173.0 44.1 84.8 35.1 788 330 B L E -J 778 0S 5 -2,-0.3 2,-1.4 -10,-0.2 -10,-0.2 -0.927 15.5-141.5-150.2 124.8 40.6 83.4 35.1 789 331 B D > - 0 0 89 -12,-3.2 4,-2.2 -2,-0.3 3,-0.3 -0.695 27.1-167.5 -76.4 94.5 37.2 84.7 36.1 790 332 B L H > S+ 0 0 4 -2,-1.4 4,-2.6 1,-0.2 5,-0.3 0.913 80.8 53.0 -57.4 -47.4 36.1 81.3 37.4 791 333 B S H > S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 109.6 49.3 -54.8 -44.2 32.4 82.2 37.7 792 334 B A H > S+ 0 0 29 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.930 110.6 50.5 -60.6 -47.0 32.3 83.4 34.1 793 335 B Y H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.6 0.927 110.0 49.2 -55.5 -49.1 33.9 80.2 32.9 794 336 B L H 3X S+ 0 0 13 -4,-2.6 4,-1.4 1,-0.3 -1,-0.2 0.774 107.9 54.9 -64.5 -27.8 31.4 78.0 34.8 795 337 B K H 3< S+ 0 0 153 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.799 107.9 50.0 -72.3 -29.1 28.6 80.0 33.3 796 338 B S H << S+ 0 0 42 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.795 109.4 50.1 -81.1 -29.5 30.0 79.2 29.9 797 339 B L H < S- 0 0 9 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.831 103.5-150.4 -69.3 -36.4 30.2 75.5 30.6 798 340 B T < - 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0 0 5 -3,-1.7 3,-1.2 -4,-0.2 4,-0.4 -0.912 64.5-154.9-102.7 113.8 34.3 55.7 48.4 854 396 B P T >> S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.834 91.1 67.0 -57.6 -30.7 38.0 55.6 47.5 855 397 B L H >> S+ 0 0 9 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.871 87.1 70.8 -57.2 -35.7 38.6 58.6 49.8 856 398 B S H <4 S+ 0 0 20 -3,-1.2 -1,-0.3 -6,-0.3 4,-0.2 0.744 98.0 46.7 -52.2 -31.0 37.8 56.4 52.8 857 399 B Y H <4 S+ 0 0 9 -3,-1.5 3,-0.4 -4,-0.4 5,-0.3 0.668 101.0 67.5 -90.1 -15.4 40.9 54.3 52.5 858 400 B L H << S+ 0 0 4 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.850 101.9 43.7 -74.3 -34.6 43.2 57.3 52.1 859 401 B T S < S+ 0 0 88 -4,-1.0 2,-0.2 -3,-0.1 -1,-0.2 0.442 116.9 50.1 -91.4 -1.1 42.7 58.6 55.7 860 402 B T S S- 0 0 60 -3,-0.4 2,-0.3 -4,-0.2 3,-0.2 -0.743 76.4-124.4-129.9 175.4 43.0 55.2 57.3 861 403 B T S S+ 0 0 148 -2,-0.2 -3,-0.1 1,-0.1 -4,-0.1 -0.608 71.4 111.2-122.3 69.3 45.3 52.1 57.3 862 404 B S S S+ 0 0 64 -5,-0.3 -225,-0.5 -2,-0.3 2,-0.3 0.248 75.2 25.5-125.1 8.3 42.8 49.4 56.4 863 405 B S S S- 0 0 26 -6,-0.2 2,-0.8 -3,-0.2 -228,-0.2 -0.977 81.6 -93.4-162.3 169.7 44.0 48.4 52.9 864 406 B Q B -F 634 0P 89 -230,-2.6 -230,-0.7 -2,-0.3 2,-0.4 -0.857 43.9-155.8 -96.1 106.6 46.8 48.2 50.4 865 407 B V - 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0 0 0 -2,-0.3 3,-1.2 -211,-0.3 -207,-0.1 -0.308 33.9-121.3 -61.0 151.3 32.2 69.3 40.1 882 424 B F T 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.727 110.5 73.2 -63.3 -20.6 35.9 69.7 39.4 883 425 B A H 3> S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.847 87.8 61.8 -63.0 -33.3 36.2 69.7 43.2 884 426 B I H <> S+ 0 0 0 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.967 109.4 34.9 -61.5 -60.7 35.5 66.0 43.2 885 427 B P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.819 118.9 55.6 -61.0 -31.4 38.5 64.7 41.2 886 428 B I H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.939 103.2 52.7 -68.4 -46.3 40.6 67.5 42.7 887 429 B I H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.924 111.7 47.3 -52.8 -47.4 39.8 66.4 46.3 888 430 B L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.943 110.7 51.1 -60.3 -50.5 41.0 62.9 45.5 889 431 B A H X S+ 0 0 9 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.943 114.1 43.7 -53.4 -51.8 44.2 64.1 43.8 890 432 B I H X S+ 0 0 23 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.943 112.8 51.3 -60.8 -48.9 45.1 66.3 46.8 891 433 B M H X S+ 0 0 6 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.868 108.3 53.2 -56.7 -37.2 44.2 63.6 49.3 892 434 B L H <>S+ 0 0 0 -4,-2.7 5,-3.0 -5,-0.2 -1,-0.2 0.943 113.7 42.1 -61.4 -48.0 46.4 61.1 47.4 893 435 B E H ><5S+ 0 0 96 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.918 110.8 55.6 -63.5 -48.4 49.3 63.5 47.6 894 436 B N H 3<5S+ 0 0 46 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 110.8 46.3 -56.5 -30.7 48.7 64.4 51.2 895 437 B H T 3<5S- 0 0 83 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.253 124.0-100.7-101.9 12.3 48.8 60.7 52.1 896 438 B G T < 5S+ 0 0 66 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.712 73.3 136.8 85.7 24.2 52.0 60.0 50.1 897 439 B Y < - 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