==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-OCT-98 1BXZ . COMPND 2 MOLECULE: NADP-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTER BROCKII; . AUTHOR C.LI,J.HEATWOLE,S.SOELAIMAN,M.SHOHAM . 1408 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1058 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 12.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 9 0.6 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 . 118 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 184 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 2.7 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 12 0 0 0 12 3 3 6 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 11 8 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 . 14 12 4 4 0 4 0 4 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 . 0 0 4 0 0 4 0 0 0 0 2 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 M 0 0 38 0, 0.0 16,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.1 18.6 5.2 43.3 2 2 A K E +A 16 0A 69 14,-0.2 120,-2.2 12,-0.1 2,-0.3 -0.708 360.0 163.5 -90.3 140.1 19.1 8.3 41.2 3 3 A G E -AB 15 121A 0 12,-1.9 12,-2.4 -2,-0.3 2,-0.6 -0.916 39.1-125.4-162.4 134.0 16.1 9.7 39.2 4 4 A F E +A 14 0A 0 116,-1.9 53,-2.0 -2,-0.3 2,-0.2 -0.685 50.3 162.8 -79.8 117.9 15.0 12.8 37.5 5 5 A A E -AC 13 56A 0 8,-1.7 8,-1.8 -2,-0.6 2,-0.6 -0.786 46.1 -92.9-136.0 176.3 11.7 13.9 38.9 6 6 A M E -AC 12 55A 0 49,-3.0 49,-1.8 -2,-0.2 48,-1.0 -0.807 29.8-172.4 -89.8 125.7 9.0 16.5 39.5 7 7 A L E - 0 0 54 4,-3.0 2,-0.3 -2,-0.6 5,-0.2 0.780 66.1 -44.3 -88.5 -34.0 9.6 18.2 42.8 8 8 A S E > S-A 11 0A 19 3,-1.5 3,-2.5 45,-0.2 -1,-0.5 -0.865 93.2 -44.0 173.3 164.0 6.4 20.2 42.8 9 9 A I T 3 S+ 0 0 67 1,-0.3 36,-0.2 -2,-0.3 35,-0.1 -0.162 131.2 10.9 -48.5 133.5 4.6 22.1 40.1 10 10 A G T 3 S+ 0 0 36 34,-3.5 2,-0.4 1,-0.1 -1,-0.3 0.533 114.6 90.7 74.7 9.7 7.1 24.3 38.2 11 11 A K E < +A 8 0A 127 -3,-2.5 -4,-3.0 33,-0.3 -3,-1.5 -0.958 43.5 161.7-145.0 122.3 10.1 22.5 39.7 12 12 A V E +A 6 0A 31 -2,-0.4 2,-0.2 -6,-0.3 -6,-0.2 -0.840 9.6 132.4-130.1 168.2 12.2 19.5 38.6 13 13 A G E -A 5 0A 11 -8,-1.8 -8,-1.7 -2,-0.3 2,-0.0 -0.807 57.4 -61.6 160.4 160.6 15.6 18.0 39.4 14 14 A W E +A 4 0A 63 -2,-0.2 -10,-0.2 -10,-0.2 2,-0.2 -0.348 55.0 167.1 -65.9 142.5 17.4 14.8 40.3 15 15 A I E -A 3 0A 22 -12,-2.4 -12,-1.9 -2,-0.0 2,-0.4 -0.741 30.0-112.5-138.9-174.5 16.4 13.1 43.5 16 16 A E E +A 2 0A 160 -2,-0.2 2,-0.2 -14,-0.2 -14,-0.2 -0.991 31.8 166.2-136.0 129.7 16.9 9.8 45.2 17 17 A K - 0 0 61 -16,-1.6 2,-0.4 -2,-0.4 37,-0.0 -0.748 45.4 -83.6-126.7 174.6 14.4 7.1 46.0 18 18 A E - 0 0 182 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.689 52.6-101.5 -85.5 132.9 14.6 3.5 47.1 19 19 A K - 0 0 94 -2,-0.4 -1,-0.1 1,-0.1 105,-0.1 -0.289 50.0-107.0 -51.3 131.7 15.0 1.0 44.2 20 20 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 104,-0.1 -0.185 24.4-136.1 -63.4 154.2 11.6 -0.6 43.5 21 21 A A - 0 0 79 -3,-0.1 2,-0.2 6,-0.0 6,-0.1 -0.951 18.6-124.3-117.2 128.9 10.7 -4.1 44.5 22 22 A P - 0 0 25 0, 0.0 48,-0.2 0, 0.0 46,-0.1 -0.470 17.8-137.2 -71.4 139.1 8.8 -6.3 42.1 23 23 A G > - 0 0 21 -2,-0.2 3,-1.6 46,-0.1 48,-0.1 -0.357 45.9 -82.9 -82.2 174.9 5.6 -7.9 43.3 24 24 A P T 3 S+ 0 0 68 0, 0.0 47,-3.1 0, 0.0 48,-0.6 0.777 134.4 33.9 -51.7 -26.1 5.1 -11.6 42.3 25 25 A F T 3 S+ 0 0 57 46,-0.2 104,-1.9 45,-0.1 105,-0.4 0.388 106.6 89.8-109.7 2.4 3.8 -10.5 38.9 26 26 A D < - 0 0 32 -3,-1.6 43,-2.1 102,-0.2 2,-0.3 -0.455 56.2-149.7 -99.9 171.7 6.0 -7.4 38.4 27 27 A A E -DE 68 126B 0 99,-2.2 99,-2.5 41,-0.2 2,-0.5 -0.971 10.0-140.0-137.6 148.3 9.3 -6.6 36.8 28 28 A I E -DE 67 125B 0 39,-3.4 38,-3.0 -2,-0.3 39,-1.7 -0.963 26.2-163.7-111.1 122.9 12.0 -4.0 37.5 29 29 A V E -DE 65 124B 0 95,-2.3 95,-1.8 -2,-0.5 36,-0.2 -0.831 15.6-144.2-113.1 149.6 13.6 -2.6 34.4 30 30 A R E -D 64 0B 65 34,-3.0 34,-2.2 -2,-0.3 93,-0.2 -0.944 33.8-114.3-109.6 116.7 16.8 -0.7 33.8 31 31 A P E +D 63 0B 1 0, 0.0 32,-0.2 0, 0.0 3,-0.1 -0.095 36.1 171.0 -52.0 144.5 16.5 2.0 31.1 32 32 A L E S+ 0 0 10 30,-2.3 319,-3.6 1,-0.5 2,-0.3 0.485 77.0 3.2-123.0 -27.4 18.5 1.6 27.9 33 33 A A E +DF 62 350B 0 29,-1.6 29,-2.3 317,-0.3 -1,-0.5 -0.928 69.4 172.8-162.1 136.3 16.8 4.5 26.0 34 34 A V E -DF 61 349B 0 315,-1.3 315,-1.8 -2,-0.3 27,-0.2 -0.858 13.1-152.2-139.8 175.1 14.2 7.0 27.0 35 35 A A E -D 60 0B 0 25,-1.2 25,-0.5 -2,-0.3 24,-0.5 -0.991 17.4-123.7-154.1 143.4 12.4 10.1 25.7 36 36 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.645 25.3-149.9 -86.7 143.2 10.7 13.3 27.1 37 37 A C >> - 0 0 15 -2,-0.3 3,-1.4 1,-0.1 4,-1.3 -0.893 24.4-124.1-115.9 147.3 7.1 14.0 26.1 38 38 A T H 3> S+ 0 0 35 -2,-0.4 4,-2.0 1,-0.3 5,-0.2 0.752 112.2 68.3 -58.1 -18.8 5.5 17.4 25.9 39 39 A S H 3> S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.887 92.9 54.3 -68.8 -38.7 3.0 15.8 28.3 40 40 A D H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 5,-0.2 0.955 106.9 53.3 -57.9 -49.1 5.6 15.7 31.1 41 41 A I H X S+ 0 0 9 -4,-1.3 4,-2.9 1,-0.3 5,-0.3 0.926 110.5 45.1 -50.1 -53.0 6.2 19.5 30.5 42 42 A H H X S+ 0 0 60 -4,-2.0 6,-1.7 1,-0.2 4,-0.9 0.872 112.5 53.8 -61.0 -35.7 2.5 20.2 30.9 43 43 A T H < S+ 0 0 3 -4,-2.3 6,-0.3 4,-0.2 -1,-0.2 0.838 119.2 32.4 -67.5 -34.9 2.5 18.0 34.0 44 44 A V H < S+ 0 0 0 -4,-2.4 -34,-3.5 -3,-0.2 -33,-0.3 0.919 129.7 29.8 -89.3 -52.6 5.3 19.8 35.7 45 45 A F H < S+ 0 0 56 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.309 133.8 30.0 -94.0 10.9 5.0 23.4 34.6 46 46 A E S < S- 0 0 112 -4,-0.9 -1,-0.2 -5,-0.3 -3,-0.2 0.245 93.6-129.2-147.4 9.2 1.2 23.5 34.2 47 47 A G > + 0 0 20 -6,-0.2 3,-0.9 -4,-0.2 -4,-0.2 0.829 43.0 165.3 37.2 46.7 0.0 21.0 36.7 48 48 A A T 3 S+ 0 0 33 -6,-1.7 -5,-0.2 1,-0.2 -1,-0.1 0.737 78.2 36.3 -59.4 -27.2 -2.0 19.3 34.0 49 49 A I T 3 S- 0 0 32 1,-0.5 2,-0.2 -6,-0.3 -1,-0.2 0.306 121.9-101.6-103.3 1.0 -2.5 16.2 36.4 50 50 A G < - 0 0 33 -3,-0.9 -1,-0.5 -7,-0.1 2,-0.2 -0.667 64.7 -29.0 98.4-178.5 -2.7 18.0 39.6 51 51 A E + 0 0 88 -2,-0.2 2,-0.3 -3,-0.1 -7,-0.1 -0.590 60.4 177.7 -81.1 141.5 0.0 18.6 42.2 52 52 A R - 0 0 56 -2,-0.2 2,-0.5 -9,-0.1 3,-0.2 -1.000 15.5-152.8-147.0 137.4 2.8 15.9 42.7 53 53 A H S S- 0 0 126 -2,-0.3 -46,-0.2 1,-0.2 -45,-0.2 -0.937 73.3 -14.0-121.4 122.0 5.8 15.8 44.9 54 54 A N S S+ 0 0 77 -48,-1.0 2,-0.5 -2,-0.5 -47,-0.2 0.970 80.8 155.6 57.3 59.4 8.9 13.8 44.1 55 55 A M E -C 6 0A 15 -49,-1.8 -49,-3.0 -3,-0.2 -1,-0.2 -0.977 44.1-125.8-116.1 119.0 7.5 11.7 41.2 56 56 A I E -C 5 0A 2 -2,-0.5 62,-3.1 -51,-0.3 -51,-0.3 -0.417 33.4-134.1 -63.5 140.0 10.1 10.5 38.8 57 57 A L + 0 0 0 -53,-2.0 63,-2.5 63,-0.2 -53,-0.1 -0.387 52.2 71.9 -95.2 172.3 9.1 11.6 35.2 58 58 A G - 0 0 0 60,-0.2 61,-1.4 61,-0.2 62,-0.2 0.215 31.6-168.9 99.2 139.4 9.0 9.9 31.9 59 59 A H + 0 0 6 -24,-0.5 2,-0.5 59,-0.2 53,-0.1 0.251 66.5 82.6-144.0 10.6 6.7 7.2 30.3 60 60 A E E +D 35 0B 0 -25,-0.5 -25,-1.2 25,-0.1 2,-0.3 -0.877 59.0 140.3-122.7 98.0 8.5 6.3 27.1 61 61 A A E -DG 34 83B 0 22,-0.8 22,-2.2 -2,-0.5 2,-0.4 -0.966 40.9-157.6-143.4 158.9 11.3 3.7 27.6 62 62 A V E +DG 33 82B 0 -29,-2.3 -30,-2.3 -2,-0.3 -29,-1.6 -1.000 40.5 159.2-127.0 124.0 13.0 0.7 26.2 63 63 A G E -DG 31 81B 0 18,-1.6 18,-2.8 -2,-0.4 2,-0.5 -0.701 42.1-102.0-138.8-169.7 14.9 -1.2 28.9 64 64 A E E -DG 30 80B 51 -34,-2.2 -34,-3.0 16,-0.2 2,-0.3 -0.983 36.5-122.5-121.5 125.5 16.5 -4.4 30.2 65 65 A V E +D 29 0B 0 14,-2.4 13,-3.6 -2,-0.5 -36,-0.3 -0.503 34.2 171.7 -64.6 125.3 14.7 -6.5 32.8 66 66 A V E + 0 0 41 -38,-3.0 2,-0.3 1,-0.3 -37,-0.2 0.682 65.4 15.1-108.8 -23.3 16.9 -6.7 35.8 67 67 A E E -D 28 0B 78 -39,-1.7 -39,-3.4 9,-0.1 -1,-0.3 -0.972 62.3-169.9-153.5 134.2 14.6 -8.3 38.2 68 68 A V E -D 27 0B 40 -2,-0.3 -41,-0.2 -41,-0.2 -43,-0.1 -0.819 26.2-107.8-121.9 162.7 11.3 -10.2 38.0 69 69 A G > - 0 0 9 -43,-2.1 3,-1.0 -2,-0.3 -46,-0.1 -0.296 37.8-100.3 -81.1 170.7 8.7 -11.4 40.5 70 70 A S T 3 S+ 0 0 101 1,-0.2 -45,-0.1 -48,-0.2 -1,-0.1 0.767 121.7 47.3 -62.7 -24.6 8.1 -15.1 41.4 71 71 A E T 3 S+ 0 0 77 -47,-3.1 2,-0.2 -48,-0.1 -1,-0.2 0.478 80.5 109.4 -98.8 -3.8 5.1 -15.2 39.1 72 72 A V < + 0 0 18 -3,-1.0 -46,-0.1 -48,-0.6 -4,-0.1 -0.549 37.1 171.8 -72.1 136.4 6.5 -13.6 35.9 73 73 A K + 0 0 144 -2,-0.2 -1,-0.2 -48,-0.1 -48,-0.0 0.723 65.3 45.3-118.0 -30.8 6.9 -16.3 33.3 74 74 A D S S+ 0 0 77 1,-0.1 2,-0.4 2,-0.0 -2,-0.1 0.555 104.2 60.1 -95.3 -7.7 7.8 -14.7 29.9 75 75 A F - 0 0 6 4,-0.0 -1,-0.1 60,-0.0 55,-0.1 -0.980 57.4-179.3-128.2 132.2 10.5 -12.2 31.0 76 76 A K > - 0 0 132 -2,-0.4 3,-2.1 -11,-0.0 -11,-0.3 -0.857 44.0 -76.3-124.6 158.6 13.8 -12.9 32.7 77 77 A P T 3 S+ 0 0 76 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.328 118.2 32.2 -58.3 128.8 16.7 -10.6 33.8 78 78 A G T 3 S+ 0 0 36 -13,-3.6 -12,-0.1 1,-0.4 2,-0.1 0.138 84.3 135.4 111.3 -16.7 18.7 -9.4 30.9 79 79 A D < - 0 0 21 -3,-2.1 -14,-2.4 -14,-0.2 2,-0.5 -0.412 52.6-133.9 -67.5 137.6 15.8 -9.3 28.4 80 80 A R E +G 64 0B 109 -16,-0.2 56,-2.6 56,-0.2 2,-0.3 -0.827 37.6 171.7 -92.0 126.4 15.6 -6.3 26.2 81 81 A V E -GH 63 135B 0 -18,-2.8 -18,-1.6 -2,-0.5 2,-0.5 -0.910 36.9-126.4-136.8 162.5 12.0 -5.0 26.1 82 82 A V E -GH 62 134B 0 52,-2.8 52,-1.3 -2,-0.3 -20,-0.2 -0.921 28.5-149.2-105.9 130.0 9.8 -2.2 24.9 83 83 A V E -G 61 0B 1 -22,-2.2 -22,-0.8 -2,-0.5 50,-0.1 -0.883 10.1-132.9-108.5 115.8 7.7 -0.7 27.7 84 84 A P - 0 0 0 0, 0.0 66,-0.1 0, 0.0 213,-0.1 -0.245 10.4-133.6 -61.5 146.0 4.3 0.8 26.9 85 85 A A S S+ 0 0 1 64,-1.9 26,-0.7 211,-0.2 27,-0.6 0.934 100.3 61.1 -63.6 -44.5 3.3 4.2 28.3 86 86 A I B +J 110 0C 3 63,-0.4 212,-1.4 210,-0.2 24,-0.2 -0.771 64.4 170.7 -86.9 120.2 0.0 2.6 29.2 87 87 A T - 0 0 0 22,-2.0 40,-0.2 -2,-0.6 45,-0.1 -0.672 17.1-174.8-132.6 76.1 0.6 -0.2 31.7 88 88 A P - 0 0 1 0, 0.0 2,-0.7 0, 0.0 21,-0.1 0.031 34.6-110.5 -69.8 172.6 -2.9 -1.3 33.1 89 89 A D - 0 0 71 14,-0.3 6,-0.1 11,-0.2 3,-0.1 -0.943 31.0-155.3-102.6 109.1 -4.1 -3.7 35.7 90 90 A W S S+ 0 0 5 -2,-0.7 2,-0.6 1,-0.2 -1,-0.1 0.481 77.2 74.1 -73.2 -0.9 -5.7 -6.3 33.5 91 91 A R S S+ 0 0 47 12,-0.1 2,-0.3 1059,-0.1 -1,-0.2 -0.596 74.9 106.1-112.2 70.2 -8.1 -7.6 36.1 92 92 A T S > S- 0 0 19 -2,-0.6 4,-0.7 1,-0.1 3,-0.4 -0.891 78.7-104.8-138.2 167.2 -10.6 -4.8 36.2 93 93 A S H >> S+ 0 0 50 -2,-0.3 3,-2.8 1,-0.2 4,-0.7 0.977 116.2 51.0 -57.4 -62.9 -14.2 -4.2 34.9 94 94 A E H 34>S+ 0 0 30 1,-0.3 5,-2.6 2,-0.2 4,-0.5 0.681 99.3 65.8 -51.9 -23.3 -13.3 -2.0 32.0 95 95 A V H 345S+ 0 0 11 -3,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.797 102.5 49.3 -69.5 -26.5 -10.8 -4.5 30.7 96 96 A Q H <<5S+ 0 0 30 -3,-2.8 -2,-0.2 -4,-0.7 -1,-0.2 0.684 107.0 54.8 -81.9 -20.5 -13.9 -6.8 30.2 97 97 A R T <5S- 0 0 37 -4,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.488 122.5-106.2 -88.9 -5.4 -15.6 -3.9 28.4 98 98 A G T 5S+ 0 0 56 -4,-0.5 2,-0.3 -3,-0.2 -3,-0.2 0.569 91.4 107.0 93.6 9.7 -12.7 -3.6 26.0 99 99 A Y > < + 0 0 65 -5,-2.6 3,-1.9 1,-0.1 -3,-0.1 -0.561 27.0 160.2-121.1 69.9 -11.2 -0.4 27.3 100 100 A H G > S+ 0 0 28 -2,-0.3 3,-2.1 1,-0.3 -11,-0.2 0.763 70.0 75.4 -58.6 -23.8 -8.0 -1.3 29.2 101 101 A Q G 3 S+ 0 0 6 1,-0.3 8,-3.3 -3,-0.2 9,-0.5 0.843 102.9 39.9 -56.4 -32.1 -6.9 2.3 28.7 102 102 A H G X S+ 0 0 1 -3,-1.9 3,-1.9 6,-0.2 2,-0.9 -0.105 80.3 154.7-109.0 35.2 -9.4 3.1 31.5 103 103 A S T < S+ 0 0 6 -3,-2.1 -14,-0.3 1,-0.3 -3,-0.1 -0.498 80.1 0.0 -68.5 100.5 -8.8 0.0 33.7 104 104 A G T 3 S- 0 0 56 -2,-0.9 -1,-0.3 -16,-0.1 2,-0.2 0.666 139.3 -13.1 93.6 20.1 -9.8 1.2 37.2 105 105 A G S X S- 0 0 34 -3,-1.9 3,-2.2 506,-0.0 4,-0.3 -0.619 101.4 -41.3 136.3 163.0 -10.9 4.7 36.2 106 106 A M T 3 S- 0 0 72 1,-0.3 -4,-0.1 -2,-0.2 533,-0.1 -0.410 128.5 -6.3 -62.3 120.6 -10.7 7.2 33.4 107 107 A L T > S+ 0 0 24 -2,-0.2 3,-1.5 531,-0.2 -1,-0.3 0.641 91.7 138.5 66.3 17.7 -7.2 7.2 31.9 108 108 A A T < + 0 0 25 -3,-2.2 -6,-0.2 1,-0.3 -2,-0.1 0.686 54.8 76.4 -65.7 -17.7 -6.2 4.8 34.7 109 109 A G T 3 S+ 0 0 0 -8,-3.3 -22,-2.0 -4,-0.3 2,-0.8 0.824 80.0 80.0 -62.7 -29.1 -4.2 2.8 32.1 110 110 A W B < +J 86 0C 28 -3,-1.5 -24,-0.2 -9,-0.5 -1,-0.1 -0.708 48.9 145.1 -84.6 111.3 -1.6 5.5 32.3 111 111 A K >>> + 0 0 44 -2,-0.8 4,-2.2 -26,-0.7 3,-2.2 0.784 37.7 94.0-110.8 -53.5 0.6 4.9 35.3 112 112 A F B 345S+k 116 0D 0 -27,-0.6 6,-0.2 1,-0.3 5,-0.2 -0.220 108.3 0.1 -47.8 121.5 4.1 5.9 34.5 113 113 A S T 345S+ 0 0 0 3,-1.7 -1,-0.3 -57,-0.3 4,-0.2 0.788 130.0 66.8 66.0 30.1 4.6 9.6 35.6 114 114 A N T <45S- 0 0 22 -3,-2.2 -2,-0.2 2,-0.8 -3,-0.1 0.492 124.8 -11.8-142.2 -45.7 1.0 9.8 36.8 115 115 A V T <5S+ 0 0 97 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.153 132.3 49.3-147.1 12.0 0.5 7.6 39.9 116 116 A K B > S- 0 0 13 -2,-0.3 4,-2.8 3,-0.1 3,-0.6 0.980 73.6-167.6 51.9 71.2 2.2 -7.3 35.4 129 129 A A H 3> S+ 0 0 0 -104,-1.9 4,-2.0 -3,-0.3 -103,-0.1 0.883 80.4 55.8 -58.7 -44.4 5.2 -7.9 33.2 130 130 A D H 34 S+ 0 0 17 -105,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.831 118.8 36.0 -60.5 -28.9 3.8 -10.8 31.2 131 131 A M H <4 S+ 0 0 9 -3,-0.6 168,-2.9 1,-0.1 169,-0.3 0.812 126.3 35.7 -90.9 -35.0 0.9 -8.6 30.3 132 132 A N H < S+ 0 0 0 -4,-2.8 2,-0.3 166,-0.3 166,-0.3 0.417 100.8 75.3-105.2 3.3 2.6 -5.3 29.9 133 133 A L < - 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0 0 12 -5,-2.8 -1,-0.3 -6,-0.2 -17,-0.2 -0.336 17.7-178.4 -59.7 134.2 1.5 13.5 3.4 213 213 A T S S+ 0 0 46 -19,-2.6 2,-0.4 1,-0.3 -18,-0.2 0.644 70.2 28.5-106.9 -22.5 0.4 14.5 -0.0 214 214 A D E -n 195 0E 32 -20,-1.4 -18,-2.0 2,-0.0 2,-0.4 -0.999 68.4-151.8-139.6 136.0 -0.6 18.1 0.7 215 215 A I E -n 196 0E 55 -2,-0.4 2,-0.5 -20,-0.2 -18,-0.2 -0.909 9.4-162.2-109.4 139.1 0.8 20.4 3.4 216 216 A V E -n 197 0E 1 -20,-2.1 -18,-1.5 -2,-0.4 2,-0.5 -0.961 2.0-163.9-126.2 114.1 -1.4 23.1 4.8 217 217 A N > - 0 0 37 -2,-0.5 3,-0.9 -20,-0.2 -18,-0.1 -0.840 15.2-147.7 -96.7 124.9 0.1 26.1 6.6 218 218 A Y G > S+ 0 0 133 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.730 92.6 77.5 -63.6 -20.1 -2.5 28.1 8.7 219 219 A K G 3 S+ 0 0 125 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.102 86.9 61.1 -76.9 23.5 -0.4 31.2 7.9 220 220 A D G < S- 0 0 115 -3,-0.9 -1,-0.3 1,-0.6 -2,-0.2 0.280 123.2 -68.7-127.4 0.0 -2.0 31.2 4.4 221 221 A G S < S- 0 0 30 -3,-1.7 -1,-0.6 -4,-0.1 5,-0.1 -0.656 83.9 -18.7 130.8 172.3 -5.6 31.6 5.6 222 222 A P > - 0 0 87 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.141 51.4-137.9 -50.1 134.7 -8.3 29.6 7.4 223 223 A I H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.892 102.9 53.0 -61.2 -44.0 -7.7 25.9 7.5 224 224 A E H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 110.7 48.1 -62.1 -35.2 -11.3 25.1 6.7 225 225 A S H > S+ 0 0 65 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.865 113.0 47.4 -73.5 -38.3 -11.2 27.3 3.7 226 226 A Q H X S+ 0 0 39 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.931 113.3 46.4 -69.2 -47.3 -8.0 25.8 2.4 227 227 A I H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 8,-0.3 0.913 109.9 55.8 -61.7 -42.3 -9.0 22.2 2.8 228 228 A M H <>S+ 0 0 64 -4,-1.7 5,-4.3 -5,-0.3 6,-0.4 0.895 110.0 45.0 -58.5 -39.9 -12.4 22.9 1.2 229 229 A N H ><5S+ 0 0 109 -4,-1.5 3,-2.1 3,-0.2 -1,-0.2 0.947 109.3 55.2 -68.6 -47.4 -10.6 24.3 -1.9 230 230 A L H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 113.8 42.3 -53.7 -31.2 -8.2 21.4 -2.1 231 231 A T T ><5S- 0 0 2 -4,-1.7 3,-1.8 -5,-0.2 -1,-0.3 0.094 115.8-109.0-106.8 25.4 -11.1 19.0 -2.1 232 232 A E T < 5S- 0 0 158 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.897 77.9 -58.5 48.9 43.1 -13.4 20.9 -4.5 233 233 A G T 3 - 0 0 73 -2,-0.2 3,-3.1 23,-0.1 4,-0.3 -0.725 65.2 -66.4-116.5 170.7 -6.2 23.8 21.4 246 246 A A T > S+ 0 0 9 1,-0.3 3,-2.2 -2,-0.2 4,-0.4 0.630 126.7 65.2 -15.4 -51.5 -10.0 23.5 21.9 247 247 A D T >> S+ 0 0 115 1,-0.3 3,-2.2 2,-0.2 4,-1.4 0.848 83.0 73.5 -46.7 -45.3 -10.6 25.4 18.7 248 248 A I H <> S+ 0 0 19 -3,-3.1 4,-1.9 1,-0.3 -1,-0.3 0.703 87.5 64.7 -48.6 -23.7 -9.1 22.7 16.6 249 249 A M H <> S+ 0 0 2 -3,-2.2 4,-2.2 -4,-0.3 -1,-0.3 0.885 100.4 49.4 -68.2 -40.2 -12.3 20.7 17.3 250 250 A A H <> S+ 0 0 17 -3,-2.2 4,-2.1 -4,-0.4 -2,-0.2 0.916 108.5 53.1 -64.6 -44.1 -14.4 23.2 15.4 251 251 A T H X S+ 0 0 14 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.935 108.3 52.4 -54.5 -49.3 -12.0 23.1 12.4 252 252 A A H >X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 3,-0.8 0.952 108.7 46.9 -51.0 -61.9 -12.3 19.3 12.4 253 253 A V H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.8 53.7 -51.9 -37.7 -16.1 19.3 12.3 254 254 A K H 3< S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 110.7 43.4 -72.1 -31.0 -16.1 21.9 9.5 255 255 A I H << S+ 0 0 1 -4,-1.8 -19,-2.9 -3,-0.8 2,-0.5 0.581 95.3 93.5 -92.4 -7.7 -13.8 20.0 7.1 256 256 A V E < S-o 236 0E 3 -4,-1.2 -19,-0.2 -21,-0.2 3,-0.1 -0.741 75.3-124.2 -92.1 129.1 -15.4 16.6 7.6 257 257 A K E > - 0 0 29 -21,-2.2 3,-2.4 -2,-0.5 2,-0.2 -0.134 43.7 -80.6 -60.1 160.2 -18.1 15.4 5.2 258 258 A P E 3 S+ 0 0 22 0, 0.0 29,-0.2 0, 0.0 -1,-0.2 -0.488 125.9 25.9 -66.4 126.7 -21.5 14.3 6.5 259 259 A G E 3 S+ 0 0 8 27,-1.8 29,-0.2 1,-0.3 28,-0.1 0.416 99.7 128.8 95.9 0.7 -21.0 10.8 7.7 260 260 A G E < - 0 0 3 -3,-2.4 29,-0.9 26,-0.4 2,-0.4 -0.351 54.1-123.2 -84.7 169.1 -17.3 11.4 8.3 261 261 A T E -op 238 289E 11 -24,-1.4 -22,-2.1 -99,-0.2 2,-0.6 -0.914 10.2-159.4-118.4 143.2 -15.3 10.7 11.4 262 262 A I E -op 239 290E 0 27,-3.0 29,-3.5 -2,-0.4 2,-0.5 -0.966 16.3-168.4-118.7 108.0 -13.3 13.0 13.6 263 263 A A E -op 240 291E 0 -24,-2.0 -22,-3.1 -2,-0.6 2,-0.4 -0.872 2.9-163.3-100.8 130.1 -10.8 11.0 15.6 264 264 A N E +op 241 292E 0 27,-1.9 29,-1.4 -2,-0.5 -22,-0.2 -0.942 30.1 155.3-119.7 133.0 -8.9 12.8 18.4 265 265 A V + 0 0 4 -24,-2.4 2,-0.2 -2,-0.4 30,-0.2 0.190 46.1 115.8-131.9 11.0 -5.8 11.7 20.3 266 266 A N - 0 0 24 -25,-0.5 2,-0.9 -23,-0.1 -23,-0.1 -0.548 65.4-127.7 -83.8 148.3 -4.7 15.1 21.4 267 267 A Y - 0 0 56 -2,-0.2 2,-0.3 -25,-0.2 370,-0.2 -0.795 22.6-160.2-100.6 96.4 -4.5 16.1 25.0 268 268 A F + 0 0 2 368,-1.7 -23,-0.1 -2,-0.9 6,-0.0 -0.580 19.4 167.5 -75.8 131.6 -6.4 19.3 25.5 269 269 A G + 0 0 34 -2,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.612 48.5 80.2-117.4 -19.2 -5.5 21.1 28.7 270 270 A E S S- 0 0 110 2,-0.0 -24,-0.1 361,-0.0 3,-0.1 -0.498 86.1 -0.8 -92.4 160.0 -7.0 24.6 28.4 271 271 A G S S- 0 0 61 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 -0.079 72.6-105.6 62.4-164.7 -10.6 25.7 29.0 272 272 A E S S+ 0 0 74 1,-0.3 359,-0.4 359,-0.1 2,-0.3 0.247 94.3 58.0-143.4 6.6 -13.4 23.4 30.1 273 273 A V - 0 0 67 357,-0.2 -1,-0.3 -3,-0.1 -27,-0.0 -0.977 65.4-146.8-145.1 128.0 -15.4 23.1 26.9 274 274 A L - 0 0 0 355,-2.7 355,-0.3 -2,-0.3 2,-0.1 -0.861 34.8-115.4 -95.1 122.7 -14.3 21.8 23.5 275 275 A P - 0 0 26 0, 0.0 351,-0.1 0, 0.0 -1,-0.0 -0.354 31.8-179.0 -62.3 127.7 -16.2 23.6 20.7 276 276 A V - 0 0 3 351,-0.3 351,-3.5 -2,-0.1 2,-0.3 -0.894 26.0-136.2-130.3 96.7 -18.6 21.6 18.5 277 277 A P > - 0 0 4 0, 0.0 4,-0.6 0, 0.0 349,-0.3 -0.388 9.6-157.7 -57.1 117.3 -20.1 23.9 15.9 278 278 A R T 4>S+ 0 0 18 -2,-0.3 5,-3.0 2,-0.2 6,-0.3 0.727 87.2 55.6 -70.5 -25.4 -23.9 23.2 15.6 279 279 A L T >45S+ 0 0 102 346,-0.3 3,-1.0 3,-0.2 -1,-0.2 0.979 115.7 34.5 -72.6 -56.5 -24.3 24.6 12.2 280 280 A E T 345S+ 0 0 52 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.488 109.3 67.5 -76.8 -2.9 -21.6 22.5 10.5 281 281 A W T >X>S- 0 0 0 -4,-0.6 3,-2.2 -5,-0.1 5,-1.1 -0.010 122.2-105.4-103.1 27.5 -22.4 19.5 12.8 282 282 A G T <45 - 0 0 2 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.2 0.771 64.0 -69.2 54.9 33.0 -25.8 19.4 11.0 283 283 A C T 34 S- 0 0 0 -212,-1.4 4,-2.0 -166,-0.3 -166,-0.3 -0.081 83.2 -66.5 92.7 163.1 -0.0 -3.5 26.9 299 299 A R H > S+ 0 0 41 -168,-2.9 4,-3.1 2,-0.2 5,-0.2 0.920 126.5 49.8 -53.9 -56.9 2.1 -6.2 25.5 300 300 A L H > S+ 0 0 17 -169,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.922 110.3 51.1 -53.8 -49.0 0.1 -7.1 22.4 301 301 A R H > S+ 0 0 26 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.952 113.4 45.9 -54.1 -47.8 -0.2 -3.5 21.3 302 302 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.895 112.0 50.3 -63.0 -42.7 3.5 -3.2 21.6 303 303 A E H X S+ 0 0 56 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.875 107.8 55.3 -63.4 -38.0 4.2 -6.4 19.8 304 304 A R H >X S+ 0 0 25 -4,-2.7 4,-1.7 -5,-0.2 3,-0.8 0.979 111.8 41.0 -57.9 -58.5 1.9 -5.4 17.0 305 305 A L H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.857 108.8 61.8 -59.6 -36.7 3.8 -2.1 16.4 306 306 A I H 3X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.838 104.9 47.3 -59.3 -35.0 7.1 -3.9 16.8 307 307 A D H S+ 0 0 0 -4,-1.7 5,-2.3 1,-0.2 6,-1.2 0.860 113.0 38.2 -57.4 -34.8 5.3 -3.0 11.8 309 309 A V H ><5S+ 0 0 10 -4,-1.7 3,-1.6 4,-0.2 -2,-0.2 0.890 113.1 55.8 -81.4 -41.7 8.8 -1.7 12.3 310 310 A F H 3<5S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.807 109.6 46.9 -59.6 -33.3 10.5 -5.2 11.9 311 311 A Y T 3<5S- 0 0 43 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.027 116.4-112.0-101.5 31.4 8.8 -5.7 8.5 312 312 A K T < 5S+ 0 0 172 -3,-1.6 -3,-0.2 2,-0.2 3,-0.1 0.760 76.6 135.4 43.4 36.1 9.8 -2.2 7.3 313 313 A R S - 0 0 46 -2,-0.3 3,-0.9 -3,-0.1 4,-0.1 -0.910 6.8-171.8-127.5 106.2 10.3 3.7 10.4 316 316 A P G >> + 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.6 0.436 66.2 100.3 -69.2 -3.8 10.0 6.0 13.5 317 317 A S G >4 S+ 0 0 45 1,-0.3 3,-1.4 2,-0.2 -172,-0.0 0.883 72.6 61.3 -50.9 -44.8 13.7 6.9 13.0 318 318 A K G <4 S+ 0 0 93 -3,-0.9 -1,-0.3 1,-0.3 -112,-0.0 0.659 93.6 64.0 -60.1 -17.8 12.7 10.2 11.4 319 319 A L G <4 S+ 0 0 0 -3,-1.8 27,-1.2 -4,-0.1 2,-0.6 0.792 87.5 79.7 -76.3 -29.1 10.9 11.3 14.5 320 320 A V E << +i 346 0B 21 -3,-1.4 3,-0.1 -4,-0.6 -176,-0.0 -0.684 45.6 158.4 -83.7 121.0 14.2 11.4 16.5 321 321 A T E + 0 0 51 25,-1.8 2,-0.4 -2,-0.6 -1,-0.2 0.585 64.3 42.8-116.4 -22.9 16.1 14.5 15.7 322 322 A H E -i 347 0B 31 24,-1.0 26,-1.9 2,-0.0 2,-0.4 -0.992 59.6-174.5-126.2 142.9 18.4 14.6 18.8 323 323 A V E +i 348 0B 62 -2,-0.4 2,-0.2 24,-0.2 26,-0.2 -0.999 9.3 173.1-137.0 130.2 20.3 11.8 20.5 324 324 A F E -i 349 0B 35 24,-2.1 26,-2.1 -2,-0.4 2,-0.3 -0.782 21.5-126.0-127.3 171.2 22.3 12.1 23.8 325 325 A R E +i 350 0B 163 -2,-0.2 4,-0.5 24,-0.2 26,-0.2 -0.919 58.7 14.0-124.2 150.1 24.1 9.7 26.2 326 326 A G S > S- 0 0 24 24,-1.0 3,-1.9 -2,-0.3 4,-0.3 0.460 85.0 -80.3 72.0 148.7 23.9 9.0 29.9 327 327 A F T >> S+ 0 0 51 1,-0.3 3,-3.8 2,-0.2 4,-0.6 0.866 120.5 70.6 -47.4 -47.4 21.4 9.9 32.6 328 328 A D H >> S+ 0 0 106 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.811 96.4 55.3 -42.1 -36.1 22.8 13.4 33.0 329 329 A N H <> S+ 0 0 38 -3,-1.9 4,-3.1 -4,-0.5 -1,-0.3 0.548 83.1 81.7 -78.2 -9.4 21.3 14.2 29.6 330 330 A I H <> S+ 0 0 2 -3,-3.8 4,-1.5 -4,-0.3 -1,-0.2 0.854 97.6 46.6 -62.0 -31.4 17.8 13.1 30.6 331 331 A E H X S+ 0 0 0 -4,-1.5 3,-1.8 -5,-0.3 4,-0.6 0.963 108.7 43.9 -58.3 -58.1 13.8 17.2 29.0 335 335 A M H >X S+ 0 0 71 -4,-2.2 3,-2.1 1,-0.3 4,-1.6 0.893 103.0 67.0 -55.7 -40.6 14.2 21.0 28.9 336 336 A L H 3< S+ 0 0 27 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.784 98.7 55.2 -51.6 -25.5 14.7 20.7 25.1 337 337 A M H << S+ 0 0 4 -3,-1.8 3,-0.5 -4,-0.7 -1,-0.3 0.708 101.6 55.7 -79.6 -24.7 11.0 19.7 25.1 338 338 A K H << S+ 0 0 104 -3,-2.1 2,-0.4 -4,-0.6 -2,-0.2 0.848 116.3 35.1 -77.1 -36.1 9.9 22.8 26.9 339 339 A D S < S- 0 0 96 -4,-1.6 -1,-0.3 0, 0.0 -2,-0.1 -0.647 87.5-150.6-119.9 73.2 11.4 25.1 24.4 340 340 A K - 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