==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-NOV-12 2YQ4 . COMPND 2 MOLECULE: D-ISOMER SPECIFIC 2-HYDROXYACID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS DELBRUECKII SUBSP. BULGA . AUTHOR S.J.HOLTON,M.ANANDHAKRISHNAN,A.GEERLOF,M.WILMANNS . 1308 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 916 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 203 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 0 0.0 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 . 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 . 79 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 379 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.4 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 0 0 6 7 0 2 9 5 4 0 0 0 3 1 1 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 4 15 15 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 . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 3 4 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 2 A T 0 0 101 0, 0.0 25,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.6 36.1 -12.3 47.8 2 3 A K E -a 26 0A 80 42,-0.4 44,-2.6 23,-0.2 45,-1.1 -0.933 360.0-176.2-125.1 143.4 34.8 -11.6 51.3 3 4 A I E -ab 27 47A 1 23,-2.3 25,-1.6 -2,-0.3 2,-0.4 -0.998 12.3-152.1-138.3 134.4 33.0 -8.7 53.1 4 5 A A E -ab 28 48A 0 43,-2.4 45,-1.8 -2,-0.4 2,-0.4 -0.914 10.0-156.5-110.0 140.9 32.1 -8.5 56.8 5 6 A M E -ab 29 49A 0 23,-2.6 25,-1.6 -2,-0.4 2,-0.2 -0.926 9.8-177.4-124.6 133.5 29.2 -6.5 58.1 6 7 A Y E +a 30 0A 0 43,-2.7 25,-0.2 -2,-0.4 27,-0.2 -0.728 66.1 34.3-117.9 165.9 28.5 -5.0 61.5 7 8 A N S S+ 0 0 16 25,-0.9 24,-0.2 23,-0.7 2,-0.2 0.806 80.5 169.9 63.7 29.8 25.6 -3.1 63.0 8 9 A V - 0 0 15 22,-1.5 -1,-0.2 -3,-0.2 42,-0.0 -0.536 21.1-151.4 -85.3 140.9 23.3 -5.4 60.9 9 10 A S >> - 0 0 48 -2,-0.2 3,-1.5 -3,-0.1 4,-1.0 -0.767 26.8-113.5-108.9 151.4 19.7 -5.2 61.6 10 11 A P G >4 S+ 0 0 105 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.868 117.9 58.3 -48.9 -39.2 17.1 -8.1 61.1 11 12 A I G 34 S+ 0 0 29 1,-0.2 4,-0.4 2,-0.1 -3,-0.0 0.764 102.3 53.2 -59.7 -29.8 15.5 -6.0 58.4 12 13 A E G <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.1 3,-0.4 0.729 88.5 83.7 -75.6 -30.6 18.8 -5.7 56.4 13 14 A V H S+ 0 0 78 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.807 114.1 50.0 -45.1 -42.7 17.2 -10.6 53.2 15 16 A Y H > S+ 0 0 43 -3,-0.4 4,-2.7 -4,-0.4 -2,-0.2 0.937 113.0 47.1 -67.1 -46.5 18.5 -7.7 51.0 16 17 A I H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.901 110.7 50.5 -58.0 -44.7 22.1 -8.7 52.0 17 18 A E H X S+ 0 0 134 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.827 111.3 52.2 -70.9 -23.3 21.5 -12.4 51.3 18 19 A D H X S+ 0 0 56 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.953 109.0 45.0 -74.1 -52.3 20.1 -11.3 48.0 19 20 A W H X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.915 115.6 54.3 -53.0 -43.2 23.1 -9.2 47.0 20 21 A A H X>S+ 0 0 18 -4,-2.7 5,-1.5 2,-0.2 4,-0.9 0.963 110.3 39.5 -57.4 -56.2 25.2 -12.2 48.3 21 22 A K H <5S+ 0 0 173 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 118.7 53.2 -69.5 -20.4 23.6 -15.0 46.2 22 23 A K H <5S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.841 115.0 35.1 -79.8 -41.4 23.5 -12.5 43.3 23 24 A N H <5S- 0 0 55 -4,-2.4 -2,-0.2 -3,-0.2 -1,-0.2 0.315 105.2-116.0 -96.5 3.2 27.2 -11.4 43.2 24 25 A D T <5 + 0 0 156 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.921 68.1 143.8 62.3 48.3 28.8 -14.7 44.3 25 26 A V < - 0 0 19 -5,-1.5 2,-0.5 -6,-0.2 -1,-0.2 -0.903 51.2-129.5-129.6 141.1 30.1 -13.2 47.5 26 27 A E E -a 2 0A 83 -25,-1.7 -23,-2.3 -2,-0.3 2,-0.5 -0.773 25.2-177.2 -90.2 131.4 30.7 -14.2 51.1 27 28 A I E -a 3 0A 29 -2,-0.5 2,-0.5 -25,-0.2 -23,-0.2 -0.984 7.8-167.9-130.7 120.4 29.3 -12.0 53.8 28 29 A K E -a 4 0A 136 -25,-1.6 -23,-2.6 -2,-0.5 2,-0.2 -0.955 20.2-166.1-107.2 136.1 29.8 -12.7 57.4 29 30 A T E +a 5 0A 76 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.765 21.9 178.7-121.6 164.9 27.6 -10.6 59.9 30 31 A T E -a 6 0A 24 -25,-1.6 -22,-1.5 -2,-0.2 -23,-0.7 -0.937 29.8-137.7-165.1 139.2 27.0 -9.4 63.4 31 32 A D S S+ 0 0 122 -2,-0.3 2,-0.2 -24,-0.2 -25,-0.1 0.710 81.4 87.6 -67.9 -17.9 24.5 -7.2 65.2 32 33 A Q S S- 0 0 109 1,-0.1 -25,-0.9 -25,-0.1 -24,-0.2 -0.482 82.1 -97.5 -95.4 158.0 27.2 -5.6 67.3 33 34 A A - 0 0 51 -27,-0.2 2,-0.5 -2,-0.2 5,-0.2 0.012 42.9 -90.5 -70.1 159.1 29.5 -2.6 66.6 34 35 A L + 0 0 5 3,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.681 68.1 130.9 -72.1 127.4 33.1 -2.7 65.3 35 36 A T S > S- 0 0 48 -2,-0.5 4,-1.4 -3,-0.1 5,-0.2 -0.882 71.1 -68.0-159.0-178.9 35.6 -2.9 68.2 36 37 A S T 4 S+ 0 0 51 -2,-0.3 4,-0.3 2,-0.2 3,-0.2 0.892 129.9 40.6 -46.2 -47.0 38.6 -4.5 69.7 37 38 A A T >4 S+ 0 0 74 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.994 119.6 39.7 -66.8 -63.2 36.6 -7.7 70.3 38 39 A T G >4 S+ 0 0 20 1,-0.3 3,-1.2 -5,-0.2 -1,-0.2 0.380 88.2 88.9 -77.9 4.7 34.6 -7.9 67.1 39 40 A V G >< S+ 0 0 0 -4,-1.4 3,-2.1 1,-0.2 -1,-0.3 0.800 70.5 83.2 -70.9 -23.3 37.3 -6.8 64.7 40 41 A D G < S+ 0 0 96 -3,-1.3 3,-0.5 -4,-0.3 -1,-0.2 0.590 80.0 61.5 -55.8 -14.5 38.3 -10.5 64.5 41 42 A L G < S+ 0 0 53 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.546 81.8 79.5 -92.6 -5.0 35.6 -11.3 61.9 42 43 A A X + 0 0 0 -3,-2.1 3,-1.0 -4,-0.2 2,-0.4 0.139 65.8 136.3 -86.1 20.4 37.0 -9.0 59.3 43 44 A E T 3 S+ 0 0 124 -3,-0.5 3,-0.1 1,-0.2 26,-0.1 -0.553 73.0 4.0 -71.8 123.9 39.6 -11.7 58.4 44 45 A G T 3 S+ 0 0 46 24,-0.5 -42,-0.4 -2,-0.4 -1,-0.2 0.396 98.1 144.3 89.4 -3.0 40.3 -12.3 54.7 45 46 A C < - 0 0 4 -3,-1.0 -1,-0.3 1,-0.1 -42,-0.2 -0.449 51.2-158.4 -82.1 141.9 38.0 -9.5 53.8 46 47 A S S S+ 0 0 8 -44,-2.6 25,-2.2 1,-0.2 26,-0.9 0.738 85.0 5.4 -72.4 -28.1 38.3 -7.1 50.9 47 48 A S E -bc 3 72A 0 -45,-1.1 -43,-2.4 24,-0.2 2,-0.3 -0.998 56.7-141.0-153.9 154.0 35.9 -4.9 52.9 48 49 A V E -bc 4 73A 0 24,-2.5 26,-2.6 -2,-0.3 2,-0.4 -0.847 18.6-153.2-109.4 160.9 34.0 -4.1 56.1 49 50 A S E -bc 5 74A 0 -45,-1.8 -43,-2.7 -2,-0.3 2,-0.3 -0.981 15.8-175.6-138.2 121.3 30.4 -2.5 56.2 50 51 A L E - c 0 75A 1 24,-2.1 26,-2.2 -2,-0.4 27,-0.2 -0.844 31.7-176.2-123.7 151.0 29.1 -0.5 59.0 51 52 A K - 0 0 31 -2,-0.3 24,-0.1 24,-0.2 -18,-0.0 -0.564 39.6-170.1-131.4 72.1 25.9 1.3 60.3 52 53 A P - 0 0 11 0, 0.0 30,-0.1 0, 0.0 4,-0.1 -0.237 33.2-174.1 -72.7 147.5 27.4 2.8 63.5 53 54 A L S S+ 0 0 165 2,-0.1 -46,-0.0 1,-0.1 0, 0.0 0.540 79.4 37.2-107.8 -19.0 25.7 4.6 66.4 54 55 A G S S- 0 0 37 28,-0.1 -1,-0.1 1,-0.0 2,-0.1 -0.870 97.7 -86.1-122.6 161.1 29.0 5.5 68.1 55 56 A P - 0 0 90 0, 0.0 2,-1.3 0, 0.0 28,-0.2 -0.410 34.9-126.7 -54.3 141.7 32.4 6.7 67.0 56 57 A V B +f 83 0B 13 26,-2.6 28,-0.5 1,-0.2 -21,-0.1 -0.766 46.5 165.6 -89.4 87.6 34.8 3.8 66.2 57 58 A D + 0 0 108 -2,-1.3 2,-0.5 26,-0.1 -1,-0.2 0.472 32.5 99.7 -94.4 -3.5 37.3 5.3 68.6 58 59 A E >> - 0 0 61 1,-0.1 4,-0.7 -3,-0.1 3,-0.5 -0.757 54.5-157.8 -95.1 124.9 39.8 2.5 69.1 59 60 A E H 3> S+ 0 0 91 -2,-0.5 4,-2.3 1,-0.2 3,-0.3 0.808 88.0 69.4 -64.2 -36.5 43.0 2.6 67.0 60 61 A V H 3> S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.887 92.9 58.6 -51.4 -43.5 43.6 -1.1 67.3 61 62 A V H <> S+ 0 0 1 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.920 107.6 45.6 -52.7 -48.7 40.6 -1.8 65.1 62 63 A Y H X S+ 0 0 4 -4,-0.7 4,-2.5 -3,-0.3 5,-0.3 0.920 113.1 49.2 -66.4 -43.5 42.2 0.2 62.2 63 64 A Q H X S+ 0 0 107 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.959 111.5 46.8 -64.9 -47.8 45.6 -1.3 62.5 64 65 A K H X S+ 0 0 70 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.817 110.4 59.4 -61.0 -27.9 44.3 -4.9 62.6 65 66 A L H >X>S+ 0 0 0 -4,-1.5 3,-1.6 -5,-0.3 5,-1.6 0.992 108.4 38.8 -62.7 -58.9 42.2 -3.9 59.6 66 67 A S H 3<5S+ 0 0 46 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.741 113.0 62.7 -65.8 -15.4 45.1 -2.8 57.4 67 68 A E H 3<5S+ 0 0 119 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.771 101.5 49.3 -73.2 -28.6 46.8 -5.9 58.9 68 69 A Y H <<5S- 0 0 49 -3,-1.6 -24,-0.5 -4,-1.1 -2,-0.2 0.550 116.9-107.1 -92.5 -5.0 44.1 -8.2 57.4 69 70 A G T <5 + 0 0 50 -4,-0.7 2,-0.5 1,-0.3 -3,-0.2 0.841 62.4 161.7 77.2 33.5 44.3 -6.9 53.9 70 71 A V < - 0 0 7 -5,-1.6 -1,-0.3 1,-0.1 -24,-0.2 -0.804 21.9-166.0 -82.5 122.2 40.9 -5.2 54.3 71 72 A K + 0 0 91 -25,-2.2 22,-2.3 -2,-0.5 2,-0.3 0.862 56.2 8.8 -84.7 -37.7 40.7 -2.5 51.6 72 73 A C E -cd 47 93A 0 -26,-0.9 -24,-2.5 20,-0.2 2,-0.6 -0.994 49.6-138.5-148.6 148.1 37.8 -0.3 52.6 73 74 A I E -cd 48 94A 2 20,-3.2 22,-2.1 -2,-0.3 2,-0.6 -0.957 28.9-163.1-100.3 119.0 35.2 0.6 55.3 74 75 A G E -cd 49 95A 0 -26,-2.6 -24,-2.1 -2,-0.6 2,-0.2 -0.916 4.8-150.4-110.6 118.5 31.9 1.2 53.7 75 76 A L E -c 50 0A 0 20,-3.3 -24,-0.2 -2,-0.6 5,-0.1 -0.586 8.3-151.2 -78.2 148.1 29.3 3.0 55.6 76 77 A R S S+ 0 0 0 -26,-2.2 2,-0.2 -2,-0.2 -25,-0.1 -0.038 78.2 58.9-103.0 26.3 25.7 2.3 54.9 77 78 A I S S- 0 0 35 -27,-0.2 20,-2.6 1,-0.1 -2,-0.1 -0.756 87.8-112.0-138.2-176.0 24.7 5.8 56.0 78 79 A V S S+ 0 0 63 -2,-0.2 2,-0.7 18,-0.2 -1,-0.1 0.895 91.3 80.8 -82.9 -45.9 25.4 9.3 55.0 79 80 A G + 0 0 31 1,-0.1 3,-0.4 18,-0.1 -1,-0.1 -0.522 44.5 172.8 -74.3 109.2 27.3 10.4 58.1 80 81 A F > + 0 0 80 -2,-0.7 3,-1.3 1,-0.2 -1,-0.1 0.197 51.9 105.3 -94.7 12.5 30.9 9.3 58.1 81 82 A N T 3 + 0 0 132 1,-0.3 -1,-0.2 -26,-0.0 4,-0.1 0.564 62.5 75.4 -76.6 -5.8 31.8 11.3 61.2 82 83 A T T 3 S+ 0 0 15 -3,-0.4 -26,-2.6 -27,-0.1 2,-0.4 0.290 85.1 83.8 -85.7 9.6 31.9 8.2 63.3 83 84 A I B < S-f 56 0B 10 -3,-1.3 2,-0.6 -28,-0.2 -26,-0.1 -0.938 76.6-138.0-111.5 134.3 35.2 7.5 61.7 84 85 A N - 0 0 51 -28,-0.5 4,-0.3 -2,-0.4 -2,-0.1 -0.851 19.6-163.7 -82.8 126.4 38.6 8.9 62.9 85 86 A F S S+ 0 0 71 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.565 76.3 69.4 -98.1 -11.5 40.3 9.9 59.6 86 87 A D S > S+ 0 0 119 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.937 103.6 45.2 -62.9 -46.6 43.8 10.3 60.7 87 88 A W T 3 S+ 0 0 65 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.651 90.9 82.8 -77.7 -16.2 44.1 6.5 61.3 88 89 A T T 3 + 0 0 3 -4,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.138 65.3 95.2 -75.6 17.9 42.5 5.7 58.0 89 90 A K < 0 0 146 -3,-0.6 -1,-0.2 4,-0.0 4,-0.1 -0.477 360.0 360.0-100.0 52.7 45.9 6.2 56.5 90 91 A K 0 0 118 -2,-0.3 -27,-0.1 2,-0.1 -2,-0.1 -0.378 360.0 360.0-141.3 360.0 46.6 2.5 56.8 91 ! 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 92 94 A L 0 0 26 0, 0.0 -20,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 122.2 42.1 2.2 54.5 93 95 A L E -d 72 0A 42 -22,-2.3 -20,-3.2 -4,-0.1 2,-0.4 -0.441 360.0-149.8 -81.1 155.9 39.4 3.6 52.2 94 96 A V E +d 73 0A 6 -22,-0.2 235,-2.0 235,-0.1 2,-0.3 -0.974 14.7 178.3-134.5 122.9 36.0 5.0 53.3 95 97 A T E -dE 74 328A 0 -22,-2.1 -20,-3.3 -2,-0.4 2,-0.2 -0.804 5.4-169.3-115.2 155.1 32.7 4.9 51.3 96 98 A N - 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0 0 112 25,-0.1 3,-2.2 -29,-0.1 4,-0.4 -0.985 43.3-137.5-141.3 130.6 17.6 17.6 61.4 236 238 A G G > S+ 0 0 1 25,-0.4 3,-1.8 -2,-0.3 26,-0.8 0.799 100.0 67.4 -55.5 -32.8 16.4 18.5 64.9 237 239 A E G 3 S+ 0 0 52 24,-0.3 -23,-3.3 1,-0.3 -1,-0.3 0.497 83.6 73.1 -73.4 -2.6 19.2 21.0 65.5 238 240 A L G < S+ 0 0 0 -3,-2.2 -22,-2.8 -25,-0.2 2,-0.5 0.759 97.5 60.0 -73.8 -24.9 17.8 23.3 62.8 239 241 A V B < S-n 216 0E 5 -3,-1.8 2,-1.1 -4,-0.4 23,-0.4 -0.917 77.1-138.5-121.5 123.1 15.1 24.1 65.2 240 242 A D >> - 0 0 66 -24,-2.1 4,-2.4 -2,-0.5 3,-0.7 -0.651 18.7-157.0 -67.7 96.8 15.2 25.7 68.6 241 243 A T H 3> S+ 0 0 16 -2,-1.1 4,-2.8 1,-0.3 5,-0.2 0.794 88.9 56.7 -53.5 -32.3 12.6 23.6 70.5 242 244 A G H 3> S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.943 110.2 43.9 -66.8 -40.6 12.0 26.3 73.1 243 245 A A H <> S+ 0 0 15 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.923 113.5 51.4 -71.4 -40.5 11.1 28.8 70.5 244 246 A L H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.941 111.0 48.0 -58.9 -48.9 9.0 26.2 68.6 245 247 A I H X S+ 0 0 24 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.929 111.8 50.0 -58.3 -49.8 7.1 25.3 71.8 246 248 A K H X S+ 0 0 108 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.920 112.4 47.1 -56.7 -40.0 6.5 29.0 72.6 247 249 A A H X>S+ 0 0 7 -4,-2.6 5,-2.5 1,-0.2 4,-1.5 0.915 112.1 47.8 -72.2 -39.9 5.2 29.7 69.1 248 250 A L H <5S+ 0 0 11 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.909 112.3 51.6 -66.8 -43.4 2.9 26.8 68.9 249 251 A Q H <5S+ 0 0 112 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.885 115.3 40.2 -61.5 -40.7 1.6 27.7 72.3 250 252 A D H <5S- 0 0 100 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.638 113.0-111.1 -86.4 -6.9 0.9 31.3 71.4 251 253 A G T <5S+ 0 0 41 -4,-1.5 -3,-0.2 -3,-0.3 3,-0.1 0.812 75.3 131.6 78.5 37.9 -0.5 30.7 67.9 252 254 A E S - 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0 0 12 -470,-1.2 -1,-0.2 -3,-0.1 2,-0.1 -0.449 31.2-120.6 -78.8 156.2 25.9 25.2 1.2 1263 276 D T >> - 0 0 73 -2,-0.1 4,-1.0 1,-0.1 3,-0.6 -0.466 28.8-107.5 -82.4 166.6 25.6 23.6 -2.3 1264 277 D D G >4 S+ 0 0 103 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.902 126.7 57.1 -53.0 -38.6 23.4 20.5 -3.0 1265 278 D S G 34 S+ 0 0 101 1,-0.2 -1,-0.2 3,-0.0 4,-0.1 0.783 100.6 53.7 -67.6 -28.4 26.9 19.0 -3.3 1266 279 D E G <4 S+ 0 0 107 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.629 95.5 76.2 -85.0 -14.6 28.0 20.0 0.3 1267 280 D I S << S- 0 0 5 -4,-1.0 2,-0.0 -3,-0.6 5,-0.0 -0.864 90.4-117.9 -93.6 126.8 25.0 18.5 2.0 1268 281 D P > - 0 0 37 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.322 11.1-126.1 -70.8 150.1 25.3 14.7 2.2 1269 282 D E H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.815 107.3 60.9 -62.3 -37.3 22.8 12.3 0.6 1270 283 D D H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.952 108.9 44.5 -56.2 -44.7 22.0 10.4 3.7 1271 284 D Y H > S+ 0 0 6 -3,-0.2 4,-2.9 1,-0.2 5,-0.3 0.971 112.4 50.7 -55.9 -59.5 20.8 13.7 5.2 1272 285 D K H X S+ 0 0 42 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.796 111.1 51.5 -50.4 -29.1 18.9 14.6 2.0 1273 286 D T H < S+ 0 0 59 -4,-2.1 3,-0.3 2,-0.2 4,-0.3 0.925 113.3 40.7 -79.7 -48.4 17.3 11.2 2.1 1274 287 D L H >< S+ 0 0 0 -4,-2.4 3,-3.6 1,-0.2 -2,-0.2 0.966 108.0 60.9 -62.8 -51.6 16.0 11.3 5.7 1275 288 D A H 3< S+ 0 0 18 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.787 104.6 53.4 -44.5 -25.5 14.9 14.9 5.4 1276 289 D K T 3< S+ 0 0 168 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.595 83.3 101.8 -92.1 -10.9 12.6 13.7 2.7 1277 290 D M X - 0 0 32 -3,-3.6 3,-1.9 -4,-0.3 -166,-0.0 -0.626 63.3-149.7 -83.0 122.3 11.0 10.9 4.7 1278 291 D P T 3 S+ 0 0 46 0, 0.0 -167,-0.2 0, 0.0 -1,-0.2 0.731 97.3 57.6 -59.2 -22.4 7.5 12.0 6.0 1279 292 D N T 3 S+ 0 0 29 -169,-0.2 -34,-1.3 -168,-0.1 2,-0.4 0.090 100.6 76.1-100.5 23.1 7.9 9.7 9.0 1280 293 D V E < -a 1245 0R 8 -3,-1.9 2,-0.4 -36,-0.2 -34,-0.2 -0.997 54.9-168.9-130.4 148.0 11.1 11.6 10.0 1281 294 D V E -a 1246 0R 4 -36,-1.7 -34,-3.0 -2,-0.4 2,-0.4 -0.998 8.0-174.5-131.0 132.2 11.9 14.9 11.6 1282 295 D I E -a 1247 0R 0 -2,-0.4 -34,-0.2 -36,-0.2 -497,-0.1 -0.965 2.7-172.2-124.5 144.9 15.4 16.4 11.9 1283 296 D T - 0 0 0 -36,-2.1 2,-2.5 -2,-0.4 4,-0.1 -0.962 38.4-106.6-132.9 148.7 16.5 19.6 13.6 1284 297 D P S S- 0 0 1 0, 0.0 -35,-0.1 0, 0.0 -36,-0.1 -0.370 72.7 -74.5 -77.6 68.6 19.9 21.2 13.4 1285 298 D H S S+ 0 0 48 -2,-2.5 3,-0.2 -37,-0.6 -36,-0.1 0.921 93.6 138.7 45.3 54.4 21.1 20.2 16.9 1286 299 D S > + 0 0 1 1,-0.1 3,-3.0 2,-0.1 -1,-0.1 0.409 27.0 105.3-111.5 0.8 18.9 22.8 18.3 1287 300 D A T 3 S+ 0 0 1 1,-0.3 -190,-0.3 -39,-0.2 -1,-0.1 0.829 81.2 51.5 -50.7 -37.4 17.6 20.7 21.2 1288 301 D F T 3 S+ 0 0 21 -3,-0.2 2,-1.6 1,-0.1 -1,-0.3 0.538 83.9 111.3 -74.9 -8.0 19.7 22.8 23.6 1289 302 D Y < + 0 0 9 -3,-3.0 -487,-2.6 -196,-0.1 2,-0.3 -0.431 36.6 116.1 -88.6 73.3 18.4 26.1 22.2 1290 303 D T B > S-i 802 0M 0 -2,-1.6 4,-2.2 -489,-0.2 -487,-0.3 -0.848 74.7-108.4-124.6 162.2 16.2 27.9 24.8 1291 304 D E H > S+ 0 0 81 -489,-1.9 4,-3.2 -2,-0.3 5,-0.2 0.908 121.1 57.3 -53.7 -41.5 16.6 31.2 26.5 1292 305 D T H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 105.3 48.9 -59.2 -46.9 17.3 29.2 29.7 1293 306 D S H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 115.3 44.4 -52.6 -52.2 20.2 27.3 28.0 1294 307 D I H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.947 114.4 48.9 -58.9 -45.4 21.7 30.6 26.8 1295 308 D R H X S+ 0 0 51 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.905 115.1 43.6 -61.4 -52.6 21.2 32.4 30.1 1296 309 D N H X>S+ 0 0 1 -4,-2.8 4,-1.6 -5,-0.2 5,-0.5 0.752 107.1 60.1 -68.1 -26.9 22.7 29.6 32.1 1297 310 D M H X5S+ 0 0 6 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.919 118.8 30.1 -67.0 -39.1 25.7 29.1 29.7 1298 311 D V H X5S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.981 124.6 43.6 -82.6 -56.0 26.7 32.6 30.3 1299 312 D Q H X5S+ 0 0 32 -4,-2.9 4,-2.4 -5,-0.2 5,-0.4 0.829 109.1 53.5 -64.2 -39.4 25.6 33.2 33.8 1300 313 D I H X5S+ 0 0 29 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.983 113.3 45.1 -62.0 -47.1 26.7 30.0 35.5 1301 314 D C H XX S+ 0 0 56 -4,-2.1 4,-3.6 1,-0.2 3,-0.5 0.675 109.3 54.9 -70.4 -16.3 34.0 33.0 43.1 1308 321 D I H 3< S+ 0 0 16 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.759 95.3 63.3 -88.2 -21.5 37.3 32.0 41.5 1309 322 D A T 3< S+ 0 0 18 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.252 124.6 21.6 -77.9 9.8 38.6 35.6 41.6 1310 323 D K T <4 0 0 157 -3,-0.5 -2,-0.2 -5,-0.1 -3,-0.1 0.433 360.0 360.0-138.4 -44.6 38.2 34.9 45.4 1311 324 D G < 0 0 80 -4,-3.6 -2,-0.1 -5,-0.1 -3,-0.1 -0.371 360.0 360.0-156.9 360.0 38.3 31.1 46.2 1312 ! 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 1313 327 D P > 0 0 63 0, 0.0 3,-0.9 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 164.9 33.0 25.9 43.4 1314 328 D R T 3 + 0 0 238 1,-0.2 -230,-0.0 2,-0.1 0, 0.0 0.413 360.0 92.3 -66.4 -7.6 32.4 22.4 41.9 1315 329 D S T 3 0 0 10 1,-0.2 -230,-0.5 -231,-0.0 -1,-0.2 0.771 360.0 360.0 -68.8 -23.4 32.8 23.2 38.2 1316 330 D I < 0 0 110 -3,-0.9 -1,-0.2 -232,-0.2 -233,-0.1 0.826 360.0 360.0 -43.8 360.0 36.5 22.4 38.0