==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-AUG-02 1H2B . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR J.E.GUY,M.N.ISUPOV,J.A.LITTLECHILD . 687 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 11.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 0.3 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.9 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 4 0 5 2 3 4 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 6 6 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 4 5 3 0 0 2 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 . 0 0 2 0 2 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 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 17 A K 0 0 119 0, 0.0 122,-1.8 0, 0.0 123,-0.3 0.000 360.0 360.0 360.0 146.5 58.9 -8.3 -8.3 2 18 A A E -AB 15 122A 0 13,-1.8 13,-2.3 120,-0.2 2,-0.6 -0.972 360.0-122.8-164.8 149.8 62.7 -8.0 -8.9 3 19 A A E -A 14 0A 0 118,-2.8 58,-2.0 -2,-0.3 2,-0.4 -0.899 40.8-174.0-102.5 113.8 65.3 -6.4 -11.2 4 20 A R E -AC 13 60A 39 9,-2.6 9,-2.5 -2,-0.6 2,-0.8 -0.858 29.7-133.9-123.5 143.1 67.4 -9.1 -12.9 5 21 A L E + C 0 59A 1 54,-2.6 54,-1.0 -2,-0.4 3,-0.1 -0.821 35.9 155.5 -90.1 108.8 70.4 -9.3 -15.2 6 22 A H S S+ 0 0 46 -2,-0.8 2,-0.3 1,-0.4 -1,-0.2 0.741 71.4 17.9 -97.2 -40.6 69.6 -11.8 -18.0 7 23 A E S > S- 0 0 86 4,-0.3 3,-0.9 -3,-0.2 -1,-0.4 -0.991 81.4-111.7-136.3 147.5 72.1 -10.3 -20.5 8 24 A Y T 3 S+ 0 0 53 -2,-0.3 38,-0.2 1,-0.2 37,-0.1 -0.413 99.1 18.7 -76.1 147.4 75.1 -8.1 -20.3 9 25 A N T 3 S+ 0 0 117 36,-2.5 -1,-0.2 1,-0.3 37,-0.1 0.728 106.0 103.9 62.2 24.0 74.9 -4.6 -21.8 10 26 A K S < S- 0 0 99 -3,-0.9 -1,-0.3 35,-0.2 3,-0.1 -0.861 82.8 -89.3-122.3 160.5 71.1 -4.7 -21.7 11 27 A P - 0 0 88 0, 0.0 -5,-0.3 0, 0.0 -4,-0.3 -0.329 50.9-101.7 -57.1 149.7 68.6 -3.1 -19.4 12 28 A L - 0 0 6 -7,-0.1 2,-0.5 -6,-0.1 -7,-0.2 -0.513 37.1-118.7 -68.5 148.8 67.7 -5.1 -16.3 13 29 A R E -A 4 0A 113 -9,-2.5 -9,-2.6 -2,-0.2 2,-0.7 -0.826 15.8-148.3 -93.1 127.3 64.4 -6.9 -16.6 14 30 A I E +A 3 0A 68 -2,-0.5 2,-0.2 -11,-0.2 -11,-0.2 -0.885 45.7 131.1 -96.9 114.7 61.7 -5.9 -14.1 15 31 A E E -A 2 0A 53 -13,-2.3 -13,-1.8 -2,-0.7 2,-0.3 -0.849 58.2 -71.8-153.8 176.7 59.7 -9.1 -13.5 16 32 A D + 0 0 128 -2,-0.2 2,-0.3 -15,-0.2 -2,-0.0 -0.666 44.4 178.6 -82.5 136.4 58.1 -11.6 -11.1 17 33 A V - 0 0 48 -2,-0.3 2,-0.1 3,-0.0 105,-0.0 -0.902 34.5 -93.4-127.6 162.9 60.4 -14.0 -9.2 18 34 A D - 0 0 155 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.445 49.6 -93.4 -68.9 149.6 59.6 -16.7 -6.7 19 35 A Y - 0 0 99 1,-0.1 -1,-0.1 -2,-0.1 106,-0.0 -0.341 58.0 -92.0 -51.2 139.4 59.7 -15.8 -3.0 20 36 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.263 37.9-126.9 -64.0 151.7 63.2 -16.6 -1.6 21 37 A R - 0 0 166 -3,-0.1 2,-0.4 105,-0.0 5,-0.1 -0.835 10.5-128.3 -99.5 129.3 63.9 -20.1 -0.1 22 38 A L + 0 0 50 -2,-0.4 2,-0.3 5,-0.1 5,-0.2 -0.676 56.9 139.7 -70.0 126.5 65.4 -20.6 3.4 23 39 A E B > -D 26 0B 85 3,-1.7 3,-2.6 -2,-0.4 -2,-0.0 -0.923 52.7 -22.7-171.1 138.1 68.2 -23.0 2.5 24 40 A G T 3 S- 0 0 77 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 -0.226 130.0 -7.2 58.8-132.8 71.9 -23.7 3.4 25 41 A R T 3 S+ 0 0 62 1,-0.1 2,-1.2 -3,-0.1 -1,-0.3 0.558 116.2 95.1 -74.0 -7.0 73.6 -20.6 4.8 26 42 A F B < +D 23 0B 14 -3,-2.6 -3,-1.7 1,-0.2 102,-0.2 -0.680 38.3 146.7 -90.8 89.8 70.5 -18.5 4.0 27 43 A D + 0 0 28 -2,-1.2 46,-2.5 100,-0.4 2,-0.4 0.210 53.6 63.2-110.6 11.5 68.5 -18.5 7.2 28 44 A V E -EF 72 127C 0 99,-1.9 99,-2.6 44,-0.2 2,-0.5 -0.999 57.4-161.7-137.0 134.8 66.9 -15.0 7.1 29 45 A I E -EF 71 126C 2 42,-2.8 41,-3.1 -2,-0.4 42,-1.5 -0.977 16.2-160.0-112.6 127.5 64.5 -13.5 4.6 30 46 A V E -EF 69 125C 0 95,-3.1 95,-2.1 -2,-0.5 2,-0.7 -0.896 18.1-137.1-109.2 138.3 64.3 -9.7 4.6 31 47 A R E -EF 68 124C 108 37,-3.4 37,-2.6 -2,-0.4 93,-0.2 -0.852 38.3-124.3 -85.6 112.9 61.5 -7.5 3.3 32 48 A I E +E 67 0C 6 91,-1.6 35,-0.3 -2,-0.7 3,-0.1 -0.362 37.2 171.3 -66.4 130.6 63.5 -4.8 1.5 33 49 A A E S+ 0 0 6 33,-2.8 2,-0.3 1,-0.4 34,-0.2 0.708 73.6 6.3-102.2 -36.4 62.8 -1.2 2.5 34 50 A G E -E 66 0C 0 32,-1.8 32,-2.2 308,-0.1 2,-0.5 -0.977 57.6-168.0-153.5 135.4 65.6 0.4 0.6 35 51 A A E -EG 65 341C 2 306,-2.3 306,-3.0 -2,-0.3 30,-0.2 -0.960 19.7-141.2-131.6 108.6 68.1 -0.9 -2.0 36 52 A G E - G 0 340C 0 28,-3.2 2,-0.5 -2,-0.5 28,-0.5 -0.372 10.6-134.7 -65.5 147.3 71.1 1.4 -2.9 37 53 A V - 0 0 1 302,-2.7 302,-0.4 25,-0.1 2,-0.3 -0.930 25.6-164.6-107.6 124.5 72.3 1.5 -6.5 38 54 A C >> - 0 0 6 -2,-0.5 3,-1.7 1,-0.1 4,-0.8 -0.725 34.1-120.4-109.4 154.0 76.1 1.3 -6.8 39 55 A H H >> S+ 0 0 81 -2,-0.3 4,-1.9 1,-0.3 3,-0.6 0.825 114.0 69.8 -61.0 -24.3 78.4 2.1 -9.7 40 56 A T H 3> S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.827 89.2 62.4 -57.7 -31.5 79.4 -1.6 -9.3 41 57 A D H <> S+ 0 0 0 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.887 102.7 48.8 -63.9 -37.4 76.0 -2.3 -10.7 42 58 A L H S+ 0 0 18 -4,-1.9 5,-2.2 2,-0.2 4,-0.5 0.875 109.9 52.9 -62.8 -38.6 80.2 -2.6 -14.0 44 60 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.956 109.5 46.7 -61.1 -51.7 78.2 -5.7 -13.5 45 61 A V H 3<5S+ 0 0 18 -4,-2.4 -36,-2.5 1,-0.3 -35,-0.2 0.871 108.7 56.7 -58.5 -37.8 75.9 -5.0 -16.4 46 62 A Q H 3<5S- 0 0 78 -4,-2.3 -1,-0.3 -38,-0.2 -2,-0.2 0.598 117.2-115.5 -68.0 -14.6 78.9 -4.2 -18.5 47 63 A G T X<5S+ 0 0 21 -3,-1.5 3,-1.9 -4,-0.5 4,-0.5 0.496 71.2 138.1 93.6 6.7 80.3 -7.7 -17.7 48 64 A M T 3 >S+ 0 0 58 -6,-0.4 4,-2.3 -5,-0.2 5,-0.5 0.374 85.3 96.3 -99.9 -0.5 82.9 -9.3 -13.1 50 66 A H H <>5S+ 0 0 82 -3,-1.9 4,-2.3 3,-0.2 -1,-0.1 0.930 85.8 46.0 -56.5 -49.9 82.1 -12.2 -15.5 51 67 A E H 45S+ 0 0 183 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.910 121.4 36.3 -60.6 -48.0 85.7 -13.5 -15.6 52 68 A L H 45S+ 0 0 142 -4,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.728 130.8 27.9 -80.5 -24.6 86.3 -13.3 -11.9 53 69 A L H <5S- 0 0 49 -4,-2.3 -3,-0.2 62,-0.1 -2,-0.2 0.742 71.8-166.0-112.9 -33.0 82.8 -14.3 -10.6 54 70 A Q << - 0 0 139 -4,-2.3 -4,-0.1 -5,-0.5 2,-0.1 0.833 23.9-175.2 44.2 53.5 81.2 -16.5 -13.3 55 71 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.384 28.6-104.5 -82.3 155.2 77.6 -16.2 -11.9 56 72 A K - 0 0 178 60,-0.4 -2,-0.0 -2,-0.1 0, 0.0 -0.621 50.7-100.9 -75.9 129.3 74.5 -18.1 -13.1 57 73 A L S S+ 0 0 71 -2,-0.4 -51,-0.2 -51,-0.1 2,-0.1 -0.766 92.0 39.9 -96.7 146.6 72.1 -15.9 -15.1 58 74 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -52,-0.2 0.628 73.6 151.8 -83.1 167.5 69.6 -14.6 -14.5 59 75 A Y E -C 5 0A 5 -54,-1.0 -54,-2.6 -2,-0.1 2,-0.3 -0.974 44.8-107.7-151.1 158.0 70.1 -13.1 -11.1 60 76 A T E -C 4 0A 4 -2,-0.3 59,-1.0 -56,-0.2 54,-0.4 -0.639 33.7-143.8 -84.2 132.5 68.7 -10.2 -9.1 61 77 A L + 0 0 0 -58,-2.0 60,-2.7 -2,-0.3 -58,-0.2 -0.353 48.3 102.9 -84.7 175.4 71.1 -7.2 -8.5 62 78 A G + 0 0 0 52,-0.5 58,-2.6 58,-0.3 53,-0.1 0.612 22.8 172.6 115.9 104.4 71.4 -5.0 -5.4 63 79 A H + 0 0 3 -27,-0.3 2,-0.4 51,-0.2 -26,-0.1 0.196 63.9 79.1-122.6 18.2 74.0 -5.3 -2.6 64 80 A E + 0 0 0 -28,-0.5 -28,-3.2 88,-0.1 2,-0.4 -0.731 69.7 167.4-129.0 79.9 73.2 -2.2 -0.5 65 81 A N E +E 35 0C 4 22,-0.4 22,-2.4 -2,-0.4 2,-0.3 -0.826 27.8 166.3-124.5 135.3 70.2 -3.2 1.5 66 82 A V E +EH 34 86C 0 -32,-2.2 -33,-2.8 -2,-0.4 -32,-1.8 -0.926 29.1 117.6-126.1 157.4 68.1 -2.3 4.5 67 83 A G E -EH 32 85C 0 18,-2.3 18,-3.0 -2,-0.3 2,-0.4 -0.945 55.2 -66.9 177.7-156.9 64.7 -3.7 5.4 68 84 A Y E -EH 31 84C 57 -37,-2.6 -37,-3.4 -2,-0.3 15,-0.1 -0.960 48.4-101.6-126.1 143.1 62.7 -5.6 7.9 69 85 A I E +E 30 0C 1 14,-2.4 13,-2.7 -2,-0.4 -39,-0.2 -0.393 38.1 175.8 -59.0 133.5 63.0 -9.2 9.0 70 86 A E E - 0 0 29 -41,-3.1 2,-0.3 1,-0.5 -40,-0.2 0.794 63.4 -14.3-102.4 -45.8 60.2 -11.2 7.3 71 87 A E E -E 29 0C 86 -42,-1.5 -42,-2.8 9,-0.1 -1,-0.5 -0.979 58.5-163.3-157.3 147.2 61.0 -14.8 8.3 72 88 A V E -E 28 0C 37 -2,-0.3 -44,-0.2 -44,-0.2 3,-0.1 -0.978 28.8-102.3-137.5 153.1 64.0 -16.6 10.0 73 89 A A > - 0 0 30 -46,-2.5 3,-2.0 -2,-0.3 2,-0.1 -0.302 51.1 -87.7 -63.3 153.9 64.9 -20.3 10.3 74 90 A E T 3 S+ 0 0 195 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.446 119.0 35.5 -58.8 135.1 64.4 -22.1 13.6 75 91 A G T 3 S+ 0 0 77 1,-0.4 2,-0.6 -2,-0.1 -1,-0.2 0.174 81.6 125.0 99.6 -18.8 67.4 -21.5 15.7 76 92 A V < - 0 0 22 -3,-2.0 -1,-0.4 -49,-0.1 3,-0.3 -0.680 51.8-151.5 -72.5 120.7 68.0 -18.0 14.5 77 93 A E + 0 0 177 -2,-0.6 3,-0.1 1,-0.2 -1,-0.0 -0.680 59.9 15.2-100.1 148.0 68.1 -15.9 17.7 78 94 A G S S+ 0 0 28 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.550 94.7 106.2 77.7 12.1 67.2 -12.3 18.4 79 95 A L + 0 0 18 -3,-0.3 2,-0.3 55,-0.0 -1,-0.1 -0.968 39.9 172.7-130.8 115.8 65.3 -11.6 15.1 80 96 A E > - 0 0 115 -2,-0.4 3,-2.2 1,-0.1 -11,-0.3 -0.834 46.6 -80.0-114.8 156.6 61.5 -11.3 14.8 81 97 A K T 3 S+ 0 0 144 -2,-0.3 -11,-0.2 1,-0.2 -1,-0.1 -0.288 118.0 27.0 -53.6 128.9 59.3 -10.4 11.9 82 98 A G T 3 S+ 0 0 39 -13,-2.7 -1,-0.2 1,-0.3 -12,-0.1 0.188 81.0 139.3 102.7 -15.1 59.3 -6.6 11.6 83 99 A D < - 0 0 7 -3,-2.2 -14,-2.4 -14,-0.1 -1,-0.3 -0.484 54.1-125.3 -65.9 125.0 62.7 -5.9 13.1 84 100 A P E +H 68 0C 6 0, 0.0 51,-2.5 0, 0.0 2,-0.3 -0.479 40.0 173.8 -74.2 137.9 64.5 -3.2 11.1 85 101 A V E -HI 67 134C 0 -18,-3.0 -18,-2.3 49,-0.2 2,-0.4 -0.960 32.0-145.0-145.6 153.0 67.9 -4.2 9.9 86 102 A I E -HI 66 133C 0 47,-2.4 47,-2.4 -2,-0.3 2,-0.6 -0.958 27.9-135.0-114.4 147.7 70.8 -3.3 7.7 87 103 A L E - I 0 132C 3 -22,-2.4 -22,-0.4 -2,-0.4 45,-0.2 -0.875 4.7-138.1-111.8 123.0 72.7 -6.0 5.9 88 104 A H - 0 0 2 43,-3.4 64,-0.1 -2,-0.6 63,-0.1 -0.559 29.4-130.0 -64.4 136.5 76.4 -6.4 5.6 89 105 A P S S+ 0 0 6 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.664 82.6 79.3 -73.5 -13.5 76.8 -7.4 1.9 90 106 A A - 0 0 0 22,-0.2 2,-0.6 41,-0.1 22,-0.2 -0.771 64.0-154.6 -95.3 139.1 79.0 -10.5 2.5 91 107 A V B +K 111 0D 0 20,-3.0 20,-2.1 -2,-0.4 2,-0.3 -0.960 31.5 172.8-108.0 118.7 77.4 -13.8 3.5 92 108 A T - 0 0 4 -2,-0.6 38,-0.1 18,-0.2 18,-0.1 -0.897 41.6-129.3-135.4 158.3 80.3 -15.7 5.4 93 109 A D - 0 0 39 -2,-0.3 -1,-0.1 11,-0.1 11,-0.0 0.804 26.9-143.5 -76.9 -36.1 80.9 -18.9 7.4 94 110 A G S S+ 0 0 7 10,-0.1 -1,-0.1 351,-0.0 8,-0.0 0.498 80.5 89.2 80.7 5.7 82.7 -17.4 10.4 95 111 A T + 0 0 71 4,-0.0 5,-0.0 5,-0.0 -1,-0.0 0.784 61.3 82.8-106.8 -36.3 84.8 -20.6 10.5 96 112 A C S > S- 0 0 14 1,-0.1 4,-2.2 3,-0.0 5,-0.2 -0.192 92.2 -99.7 -69.8 170.2 87.9 -20.0 8.3 97 113 A L H > S+ 0 0 73 1,-0.2 4,-0.5 2,-0.2 6,-0.1 0.736 120.6 53.1 -64.3 -32.1 90.9 -18.1 9.6 98 114 A A H 4>S+ 0 0 21 8,-0.2 5,-3.0 2,-0.2 3,-0.4 0.914 110.8 47.3 -71.9 -40.9 90.0 -14.8 8.0 99 115 A a H >45S+ 0 0 12 1,-0.2 3,-1.5 3,-0.2 -2,-0.2 0.877 108.5 55.0 -63.1 -39.9 86.7 -14.9 9.6 100 116 A R H 3<5S+ 0 0 11 -4,-2.2 542,-0.3 1,-0.3 -1,-0.2 0.652 109.0 49.7 -70.6 -14.9 88.3 -15.9 12.9 101 117 A A T 3<5S- 0 0 50 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.474 122.8-108.9 -95.7 -5.2 90.4 -12.8 12.5 102 118 A G T < 5S+ 0 0 5 -3,-1.5 2,-1.1 -4,-0.2 195,-0.3 0.547 76.6 130.6 92.4 9.8 87.3 -10.6 11.8 103 119 A E > < + 0 0 58 -5,-3.0 3,-2.4 1,-0.2 4,-0.2 -0.681 28.8 178.1-102.3 83.3 87.9 -10.0 8.1 104 120 A D G > S+ 0 0 5 -2,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.790 76.6 58.2 -55.0 -35.5 84.5 -10.8 6.5 105 121 A M G 3 S+ 0 0 23 1,-0.3 -1,-0.3 187,-0.2 5,-0.1 0.579 104.3 52.5 -78.2 -5.6 85.6 -9.9 3.0 106 122 A H G < S+ 0 0 107 -3,-2.4 -1,-0.3 -8,-0.1 -8,-0.2 0.279 76.9 133.3-109.9 12.6 88.5 -12.5 3.1 107 123 A a X - 0 0 8 -3,-1.3 3,-1.2 -4,-0.2 -3,-0.0 -0.373 59.1-132.2 -67.5 136.8 86.3 -15.4 4.1 108 124 A E T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.1 -16,-0.0 0.644 102.0 41.6 -70.2 -20.3 87.1 -18.5 2.1 109 125 A N T 3 S+ 0 0 109 2,-0.1 -1,-0.3 -13,-0.0 2,-0.1 -0.145 84.0 163.9-119.5 41.0 83.5 -19.3 1.3 110 126 A L < - 0 0 47 -3,-1.2 2,-0.3 -18,-0.1 -18,-0.2 -0.303 15.7-177.6 -64.2 132.2 82.2 -15.8 0.6 111 127 A E B -K 91 0D 53 -20,-2.1 -20,-3.0 -2,-0.1 -2,-0.1 -0.920 9.4-158.5-120.1 158.7 78.9 -15.2 -1.2 112 128 A F >>> - 0 0 18 -2,-0.3 3,-2.6 -22,-0.2 4,-1.6 -0.825 16.1-132.0-143.3 91.8 77.7 -11.7 -2.0 113 129 A P B 345S+l 117 0E 4 0, 0.0 6,-0.3 0, 0.0 5,-0.2 -0.204 95.2 15.3 -46.1 128.2 74.0 -11.0 -2.7 114 130 A G T 345S+ 0 0 0 3,-3.0 -52,-0.5 -54,-0.4 -51,-0.2 0.164 122.9 63.5 89.1 -17.2 73.6 -8.9 -5.8 115 131 A L T <45S- 0 0 17 -3,-2.6 -1,-0.1 3,-0.1 3,-0.1 0.858 127.7 -4.0 -99.3 -57.0 77.1 -9.6 -7.1 116 132 A N T <5S+ 0 0 43 -4,-1.6 -60,-0.4 2,-0.1 2,-0.3 0.472 135.8 26.3-114.2 -9.7 77.3 -13.4 -7.7 117 133 A I B - 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0 0 14 -5,-2.5 -1,-0.3 1,-0.2 -17,-0.1 -0.402 33.7-146.5 -59.7 140.0 119.0 -16.8 26.4 562 233 B D S S+ 0 0 71 -19,-1.5 2,-0.3 1,-0.3 -18,-0.2 0.806 81.7 7.4 -75.6 -32.2 122.0 -14.5 25.8 563 234 B H E -f 544 0L 81 -20,-1.8 -18,-2.6 -7,-0.0 2,-0.4 -0.986 68.0-153.1-146.9 145.6 122.4 -13.8 29.5 564 235 B V E -f 545 0L 37 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.967 7.8-162.2-123.0 153.4 120.9 -15.3 32.6 565 236 B V E -f 546 0L 2 -20,-2.7 -18,-1.9 -2,-0.4 2,-0.8 -0.993 18.8-136.2-137.3 129.0 120.5 -13.7 36.0 566 237 B D E > -f 547 0L 20 -2,-0.4 3,-1.5 -20,-0.2 -18,-0.2 -0.772 18.2-160.0 -83.5 109.7 119.8 -15.3 39.4 567 238 B A T 3 S+ 0 0 11 -20,-2.8 3,-0.3 -2,-0.8 -19,-0.2 0.376 82.3 75.9 -80.6 8.8 117.1 -13.0 40.8 568 239 B R T 3 S+ 0 0 172 -21,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.624 93.6 62.8 -79.5 -13.4 117.8 -14.0 44.4 569 240 B R S < S- 0 0 132 -3,-1.5 -1,-0.2 1,-0.1 5,-0.2 -0.545 130.3 -65.7-119.1 69.2 120.8 -11.7 44.0 570 241 B D > - 0 0 93 -2,-0.4 4,-2.2 -3,-0.3 5,-0.2 0.988 57.0-171.7 54.3 65.4 119.8 -8.1 43.3 571 242 B P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.880 79.0 54.1 -60.6 -39.2 118.2 -8.6 39.9 572 243 B V H > S+ 0 0 34 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.954 110.1 46.3 -62.8 -47.7 117.8 -4.9 39.1 573 244 B K H > S+ 0 0 121 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.934 113.1 49.6 -60.4 -43.9 121.5 -4.1 39.7 574 245 B Q H X S+ 0 0 40 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.918 113.5 46.2 -60.0 -45.5 122.6 -7.2 37.6 575 246 B V H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 8,-0.2 0.910 110.4 53.4 -65.6 -39.1 120.3 -6.1 34.7 576 247 B M H <>S+ 0 0 51 -4,-2.9 5,-3.1 -5,-0.2 6,-0.3 0.919 109.7 48.7 -61.2 -41.3 121.5 -2.5 35.0 577 248 B E H ><5S+ 0 0 129 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.926 110.0 51.5 -62.1 -43.1 125.1 -3.7 34.7 578 249 B L H 3<5S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 115.8 41.4 -62.3 -30.2 124.2 -5.9 31.6 579 250 B T T ><5S- 0 0 3 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.3 0.202 112.8-114.5-106.2 13.7 122.6 -2.9 29.9 580 251 B R T < 5S- 0 0 220 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.833 76.3 -54.4 55.4 36.0 125.2 -0.4 30.9 581 252 B G T 3 S- 0 0 45 23,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.303 70.2-107.1 -72.5 163.0 104.5 -12.8 42.7 594 265 B Q H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.928 120.4 58.3 -53.4 -39.5 104.8 -9.7 44.9 595 266 B A H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 112.3 37.6 -56.6 -48.7 108.6 -10.1 44.6 596 267 B T H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.883 112.2 55.8 -76.4 -34.5 108.6 -9.9 40.9 597 268 B V H < S+ 0 0 11 -4,-2.7 23,-0.3 1,-0.2 -1,-0.2 0.843 108.8 52.4 -65.3 -25.9 105.9 -7.3 40.5 598 269 B D H < S+ 0 0 65 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.901 118.8 30.0 -76.8 -39.8 108.0 -5.1 42.8 599 270 B Y H >< S+ 0 0 38 -4,-1.6 3,-1.1 -5,-0.2 4,-0.4 0.790 101.8 74.7 -92.4 -26.4 111.2 -5.3 40.9 600 271 B T G >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 4,-0.4 0.868 91.4 55.5 -62.5 -35.4 110.3 -5.7 37.3 601 272 B P G > S+ 0 0 5 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.851 102.6 59.7 -61.4 -28.1 109.1 -2.1 36.7 602 273 B Y G < S+ 0 0 77 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.523 92.7 67.1 -80.4 -5.9 112.6 -1.0 37.9 603 274 B L G < S+ 0 0 0 -3,-1.8 -19,-2.9 -4,-0.4 -1,-0.3 0.653 81.6 107.4 -77.5 -16.8 114.2 -3.0 35.0 604 275 B L E < -g 584 0L 10 -3,-1.1 -19,-0.2 -4,-0.4 3,-0.1 -0.371 53.3-158.4 -77.7 136.8 112.7 -0.7 32.4 605 276 B G E > - 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