==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-NOV-12 4I5G . COMPND 2 MOLECULE: ALCLOHOL DEHYDROGENASE/SHORT-CHAIN DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA SP.; . AUTHOR A.JARASCH,A.LERCHNER,W.MEINING,A.SCHIEFNER,A.SKERRA . 1864 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1486 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 306 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 152 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 244 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 652 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.2 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 1 0 0 1 0 7 16 16 0 7 1 0 0 0 0 2 6 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 14 0 0 18 30 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 A 0 0 87 0, 0.0 2,-0.9 0, 0.0 472,-0.0 0.000 360.0 360.0 360.0 -30.6 -18.9 -20.6 -64.4 2 2 A Y > - 0 0 141 1,-0.1 3,-1.5 28,-0.0 27,-0.1 -0.708 360.0-178.0-105.7 92.9 -20.6 -23.1 -62.1 3 3 A R T 3 S+ 0 0 48 -2,-0.9 212,-0.4 1,-0.3 -1,-0.1 0.521 83.3 35.1 -77.8 -8.7 -20.6 -22.0 -58.5 4 4 A L T > S+ 0 0 2 25,-2.4 3,-2.4 22,-0.2 -1,-0.3 0.057 77.3 168.8-126.9 25.6 -22.4 -25.1 -57.1 5 5 A L T < S- 0 0 103 -3,-1.5 26,-0.2 1,-0.3 25,-0.1 -0.119 74.1 -6.8 -47.6 120.7 -21.0 -27.9 -59.3 6 6 A N T 3 S+ 0 0 117 24,-2.4 2,-0.4 1,-0.2 -1,-0.3 0.684 97.9 137.3 67.7 19.4 -21.9 -31.4 -57.8 7 7 A K < - 0 0 77 -3,-2.4 25,-3.3 23,-0.4 2,-0.6 -0.765 51.5-130.7 -90.6 146.7 -23.4 -30.0 -54.7 8 8 A T E -a 32 0A 1 -2,-0.4 74,-3.0 23,-0.2 75,-2.3 -0.872 25.9-173.1 -97.7 122.2 -26.6 -31.4 -53.3 9 9 A A E -ab 33 83A 1 23,-3.0 25,-2.2 -2,-0.6 2,-0.4 -0.919 11.8-165.2-110.5 139.4 -29.3 -28.8 -52.4 10 10 A V E -ab 34 84A 0 73,-2.2 75,-2.3 -2,-0.4 2,-0.4 -0.996 10.3-172.9-116.0 126.0 -32.6 -29.4 -50.6 11 11 A I E > -ab 35 85A 0 23,-2.5 25,-2.8 -2,-0.4 3,-0.6 -0.984 11.3-154.8-117.1 126.3 -35.1 -26.5 -50.8 12 12 A T E 3 S+ab 36 86A 4 73,-1.8 75,-1.1 -2,-0.4 25,-0.2 -0.767 89.6 36.0 -93.6 150.9 -38.4 -26.6 -48.8 13 13 A G T > S+ 0 0 8 23,-1.4 3,-1.0 -2,-0.3 7,-0.5 0.685 80.7 144.6 67.6 26.3 -41.1 -24.4 -50.4 14 14 A G T < + 0 0 0 22,-2.0 23,-0.2 -3,-0.6 9,-0.1 0.574 45.8 79.7 -68.5 -11.9 -39.6 -25.7 -53.7 15 15 A G T 3 S- 0 0 5 21,-0.4 2,-0.3 4,-0.0 -1,-0.2 0.664 106.3 -18.1 -74.2 -16.1 -42.9 -25.8 -55.7 16 16 A S S <> S+ 0 0 55 -3,-1.0 4,-2.4 30,-0.0 3,-0.3 -0.925 101.1 27.6-164.6-174.2 -43.0 -22.1 -56.4 17 17 A G H > S- 0 0 26 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.079 119.2 -8.5 51.5-131.9 -41.9 -18.5 -55.7 18 18 A I H > S+ 0 0 21 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.926 135.7 56.3 -66.7 -51.9 -38.5 -18.0 -54.2 19 19 A G H > S+ 0 0 0 -6,-0.3 4,-2.5 -3,-0.3 -5,-0.2 0.921 111.5 43.9 -41.8 -54.0 -37.9 -21.7 -53.6 20 20 A L H X S+ 0 0 21 -4,-2.4 4,-2.3 -7,-0.5 -2,-0.2 0.899 113.7 48.5 -64.5 -44.7 -38.6 -22.4 -57.3 21 21 A A H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.874 114.6 48.8 -61.3 -36.1 -36.4 -19.5 -58.6 22 22 A T H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.900 108.5 50.9 -73.8 -40.1 -33.7 -20.6 -56.3 23 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.907 110.7 51.1 -60.7 -42.8 -33.8 -24.3 -57.4 24 24 A K H X S+ 0 0 81 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.967 113.2 44.1 -58.9 -49.4 -33.6 -23.0 -61.0 25 25 A R H X S+ 0 0 66 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.928 110.7 54.7 -63.2 -45.6 -30.5 -20.9 -60.2 26 26 A F H <>S+ 0 0 0 -4,-3.2 5,-2.9 2,-0.2 -1,-0.2 0.884 110.9 45.1 -54.8 -40.7 -28.9 -23.8 -58.2 27 27 A V H ><5S+ 0 0 6 -4,-2.2 3,-2.6 3,-0.2 -1,-0.2 0.918 108.5 56.6 -69.7 -40.3 -29.3 -26.2 -61.2 28 28 A A H 3<5S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.852 106.9 51.5 -57.6 -30.3 -27.9 -23.5 -63.5 29 29 A E T 3<5S- 0 0 18 -4,-1.9 -25,-2.4 -5,-0.2 -1,-0.3 0.305 128.0-103.2 -89.8 10.6 -25.0 -23.5 -61.1 30 30 A G T < 5S+ 0 0 14 -3,-2.6 -24,-2.4 1,-0.3 -23,-0.4 0.687 72.9 141.2 77.1 24.3 -24.6 -27.3 -61.5 31 31 A A < - 0 0 2 -5,-2.9 2,-0.6 -26,-0.2 -1,-0.3 -0.549 54.8-122.9 -82.7 160.5 -26.2 -28.4 -58.1 32 32 A Y E -a 8 0A 49 -25,-3.3 -23,-3.0 -28,-0.2 2,-0.4 -0.948 37.8-154.2 -95.6 123.5 -28.4 -31.4 -57.8 33 33 A V E -ac 9 54A 0 20,-2.5 22,-2.8 -2,-0.6 2,-0.6 -0.805 21.5-162.1-111.0 137.0 -31.6 -30.1 -56.3 34 34 A F E -ac 10 55A 0 -25,-2.2 -23,-2.5 -2,-0.4 2,-0.6 -0.969 16.8-156.6-106.7 110.6 -34.4 -31.7 -54.2 35 35 A I E -ac 11 56A 0 20,-1.5 22,-2.9 -2,-0.6 2,-0.4 -0.858 11.6-166.0 -91.5 122.8 -37.5 -29.5 -54.4 36 36 A V E +ac 12 57A 0 -25,-2.8 -22,-2.0 -2,-0.6 -23,-1.4 -0.919 23.6 128.3-111.7 129.3 -39.8 -30.2 -51.4 37 37 A D E - c 0 58A 26 20,-2.0 22,-2.0 -2,-0.4 6,-0.0 -0.979 59.3-106.0-166.8 173.8 -43.4 -29.1 -51.1 38 38 A V S S+ 0 0 80 -2,-0.3 2,-0.5 20,-0.2 -1,-0.1 0.875 89.3 79.3 -78.4 -41.0 -47.0 -30.0 -50.3 39 39 A S > - 0 0 42 1,-0.1 4,-2.2 20,-0.1 5,-0.1 -0.634 51.4-169.1 -86.1 116.0 -48.6 -30.1 -53.9 40 40 A R H > S+ 0 0 163 -2,-0.5 4,-2.3 2,-0.2 5,-0.3 0.983 94.4 44.6 -54.1 -64.0 -48.0 -33.1 -56.2 41 41 A K H > S+ 0 0 167 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.883 116.0 48.4 -52.0 -45.2 -49.4 -31.3 -59.3 42 42 A E H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.878 111.2 50.4 -65.5 -36.7 -47.5 -28.2 -58.4 43 43 A L H X S+ 0 0 5 -4,-2.2 4,-2.9 -3,-0.3 -2,-0.2 0.882 107.9 49.2 -72.6 -41.6 -44.2 -30.1 -57.9 44 44 A E H X S+ 0 0 105 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.840 111.8 52.7 -66.3 -34.4 -44.2 -32.1 -61.2 45 45 A Q H X S+ 0 0 117 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.934 111.8 44.7 -59.2 -50.2 -44.9 -28.8 -62.9 46 46 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.882 112.8 50.3 -62.5 -45.0 -41.9 -27.3 -61.1 47 47 A A H X S+ 0 0 23 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.862 108.4 53.6 -63.9 -40.7 -39.6 -30.2 -61.9 48 48 A A H < S+ 0 0 77 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.914 109.3 48.4 -59.9 -44.3 -40.7 -30.0 -65.5 49 49 A E H < S+ 0 0 89 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.883 113.4 45.7 -65.8 -41.7 -39.6 -26.3 -65.6 50 50 A I H < S- 0 0 22 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.992 90.9-172.9 -60.1 -62.7 -36.3 -27.0 -64.0 51 51 A G < + 0 0 54 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.1 0.155 48.6 38.7 98.2 -22.2 -35.9 -29.9 -66.4 52 52 A R S S+ 0 0 128 1,-0.1 -19,-0.2 -5,-0.1 3,-0.1 -0.992 101.5 19.5-157.0 157.0 -32.8 -31.7 -65.1 53 53 A N S S+ 0 0 68 -2,-0.3 -20,-2.5 1,-0.2 2,-0.3 0.888 90.8 113.8 54.0 49.5 -30.9 -32.6 -62.0 54 54 A V E -c 33 0A 24 -22,-0.2 2,-0.5 -3,-0.1 -20,-0.2 -0.992 48.8-160.1-151.3 136.2 -33.8 -32.3 -59.7 55 55 A T E -c 34 0A 25 -22,-2.8 -20,-1.5 -2,-0.3 2,-0.3 -0.976 16.0-146.7-119.5 122.7 -36.0 -34.6 -57.5 56 56 A A E -c 35 0A 38 -2,-0.5 2,-0.4 -22,-0.2 -20,-0.2 -0.624 17.4-171.3 -73.7 137.1 -39.4 -33.5 -56.5 57 57 A V E -c 36 0A 6 -22,-2.9 -20,-2.0 -2,-0.3 2,-0.7 -0.998 17.5-139.5-133.4 135.6 -40.4 -34.7 -53.1 58 58 A K E +c 37 0A 114 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.840 43.2 139.8 -94.0 111.8 -43.9 -34.3 -51.5 59 59 A A - 0 0 2 -22,-2.0 2,-0.7 -2,-0.7 -20,-0.1 -0.989 49.7-138.1-152.9 146.7 -43.7 -33.5 -47.8 60 60 A D > - 0 0 43 -2,-0.3 3,-2.6 3,-0.1 6,-0.3 -0.958 22.5-150.7-104.2 109.7 -45.4 -31.3 -45.3 61 61 A V T 3 S+ 0 0 12 -2,-0.7 57,-0.2 1,-0.3 56,-0.1 0.442 90.4 67.9 -72.8 6.2 -42.5 -30.0 -43.3 62 62 A T T 3 S+ 0 0 40 55,-0.1 2,-0.5 56,-0.0 -1,-0.3 0.313 86.4 78.6-103.0 7.4 -44.7 -29.7 -40.2 63 63 A K S <> S- 0 0 93 -3,-2.6 4,-1.4 1,-0.1 3,-0.2 -0.980 70.5-150.1-114.0 123.4 -45.0 -33.5 -40.0 64 64 A L H > S+ 0 0 58 -2,-0.5 4,-2.4 1,-0.2 3,-0.2 0.887 97.9 52.0 -59.9 -40.3 -42.0 -35.4 -38.4 65 65 A E H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.859 104.0 58.0 -70.2 -31.9 -42.7 -38.6 -40.4 66 66 A D H > S+ 0 0 20 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.860 107.7 48.2 -57.7 -38.3 -42.8 -36.5 -43.7 67 67 A L H X S+ 0 0 0 -4,-1.4 4,-3.3 -3,-0.2 5,-0.3 0.965 106.7 54.9 -70.7 -50.1 -39.2 -35.3 -42.8 68 68 A D H X S+ 0 0 85 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.890 112.4 45.2 -39.1 -50.0 -38.0 -38.9 -42.1 69 69 A R H X S+ 0 0 101 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.949 111.5 50.1 -67.8 -53.8 -39.2 -39.9 -45.6 70 70 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.947 115.4 44.5 -45.0 -53.1 -37.7 -36.9 -47.4 71 71 A Y H X S+ 0 0 11 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.885 108.5 55.0 -70.2 -35.8 -34.3 -37.5 -45.7 72 72 A A H X S+ 0 0 55 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.911 110.9 48.6 -58.6 -38.8 -34.4 -41.3 -46.3 73 73 A I H X S+ 0 0 38 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.935 111.7 47.3 -62.9 -49.0 -34.9 -40.4 -50.1 74 74 A V H X>S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-1.6 0.919 112.1 51.3 -57.3 -49.4 -32.0 -37.8 -50.1 75 75 A R H <5S+ 0 0 141 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.848 112.0 46.4 -50.2 -45.2 -29.8 -40.3 -48.3 76 76 A E H <5S+ 0 0 161 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.820 123.0 31.1 -71.1 -41.9 -30.6 -43.1 -50.9 77 77 A Q H <5S+ 0 0 95 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.807 139.8 9.8 -91.7 -39.0 -30.1 -41.0 -54.0 78 78 A R T <5S- 0 0 84 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.621 76.0-148.5-121.9 -22.8 -27.5 -38.4 -53.2 79 79 A G S > - 0 0 20 -2,-0.3 4,-1.1 52,-0.1 3,-1.0 -0.385 39.3-100.0 -69.3 160.7 -54.6 -8.0 -36.0 96 96 A L G >4 S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.899 126.7 54.8 -49.2 -49.0 -54.1 -8.8 -32.2 97 97 A E G 34 S+ 0 0 156 1,-0.2 -1,-0.3 261,-0.0 261,-0.0 0.805 110.9 44.9 -49.9 -40.8 -57.8 -8.4 -31.7 98 98 A E G <4 S+ 0 0 109 -3,-1.0 -1,-0.2 2,-0.0 -2,-0.2 0.583 82.9 126.0 -84.3 -12.8 -58.6 -11.0 -34.5 99 99 A I << - 0 0 5 -4,-1.1 -3,-0.0 -3,-0.9 -5,-0.0 -0.237 36.1-174.0 -62.4 127.0 -55.9 -13.7 -33.4 100 100 A T > - 0 0 56 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.835 38.9-112.6-111.6 152.6 -57.3 -17.2 -32.8 101 101 A P H > S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.845 119.5 53.0 -46.7 -42.7 -55.4 -20.1 -31.4 102 102 A E H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.906 108.2 48.2 -64.9 -43.3 -55.7 -21.8 -34.9 103 103 A H H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 112.0 50.7 -62.1 -43.8 -54.3 -18.8 -36.7 104 104 A Y H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.893 110.8 49.6 -60.5 -40.8 -51.4 -18.7 -34.2 105 105 A D H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.883 106.9 53.2 -65.8 -45.1 -50.7 -22.4 -34.8 106 106 A R H X S+ 0 0 125 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.965 112.9 44.6 -53.5 -53.2 -50.7 -22.2 -38.6 107 107 A T H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.921 120.8 37.1 -65.3 -46.5 -48.0 -19.3 -38.5 108 108 A F H X>S+ 0 0 2 -4,-2.2 5,-3.3 2,-0.2 4,-1.6 0.762 113.6 55.3 -78.1 -29.3 -45.7 -20.8 -35.9 109 109 A D H <>S+ 0 0 43 -4,-2.2 5,-3.6 -5,-0.2 6,-0.2 0.969 118.3 34.9 -64.6 -51.7 -46.1 -24.5 -37.0 110 110 A V H <5S+ 0 0 49 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.1 0.876 127.8 35.5 -68.8 -43.8 -45.0 -23.7 -40.5 111 111 A N H <5S+ 0 0 6 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.805 135.9 8.8 -84.5 -36.1 -42.4 -20.9 -39.7 112 112 A V T X5S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 -3,-0.2 0.788 127.8 43.3-116.6 -58.9 -40.9 -22.1 -36.5 113 113 A R H > S+ 0 0 14 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 109.2 51.0 -62.3 -52.3 -38.2 -25.0 -39.5 116 116 A I H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.949 113.5 40.8 -49.2 -62.3 -36.7 -26.5 -36.3 117 117 A F H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.874 110.9 58.4 -69.0 -32.0 -37.4 -30.1 -37.0 118 118 A T H X S+ 0 0 2 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.959 115.3 37.1 -54.6 -49.5 -36.4 -29.8 -40.8 119 119 A V H >X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-1.1 0.948 112.9 55.9 -73.9 -49.6 -33.0 -28.6 -39.7 120 120 A Q H 3< S+ 0 0 28 -4,-3.4 3,-0.4 1,-0.2 -1,-0.2 0.877 112.4 45.3 -41.1 -42.1 -32.7 -30.9 -36.7 121 121 A K H 3< S+ 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 4,-0.2 0.643 104.9 58.4 -88.6 -14.0 -33.3 -33.8 -39.1 122 122 A A H XX S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.9 3,-1.4 0.661 83.7 92.7 -76.8 -18.4 -31.0 -32.7 -41.9 123 123 A L T 3< S+ 0 0 4 -4,-1.2 -1,-0.1 -3,-0.4 -2,-0.1 0.794 82.6 46.7 -50.7 -47.3 -28.1 -32.8 -39.3 124 124 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.758 119.4 41.7 -65.3 -27.6 -26.9 -36.4 -39.9 125 125 A L T <4 S+ 0 0 7 -3,-1.4 -44,-2.0 -4,-0.2 2,-0.3 0.694 88.8 103.5 -90.1 -23.1 -26.9 -35.8 -43.7 126 126 A L E < S-d 81 0A 3 -4,-2.2 -44,-0.2 -46,-0.2 3,-0.1 -0.446 72.6-125.6 -68.7 124.2 -25.4 -32.3 -43.9 127 127 A R E > - 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0 0 6 -3,-0.4 3,-3.2 -4,-0.4 36,-0.1 -0.785 65.2-148.4 -97.9 111.9 -5.8 69.5 -27.5 1840 210 H P T 3 S+ 0 0 10 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 0.871 98.6 57.4 -50.0 -43.0 -8.1 67.1 -25.7 1841 211 H L T 3 S- 0 0 31 33,-2.2 34,-0.1 32,-0.1 33,-0.1 0.586 104.0-137.2 -65.2 -5.3 -8.7 69.6 -22.8 1842 212 H G < + 0 0 53 -3,-3.2 2,-0.3 32,-0.2 -1,-0.1 0.585 68.2 68.0 68.8 12.8 -9.9 71.9 -25.5 1843 213 H R S S- 0 0 84 31,-0.1 2,-0.1 -8,-0.1 -16,-0.1 -0.956 85.4 -94.4-151.8 168.0 -8.2 75.1 -24.2 1844 214 H V - 0 0 53 -2,-0.3 -16,-0.2 1,-0.1 2,-0.1 -0.473 52.1-100.9 -77.5 160.3 -4.8 76.7 -23.7 1845 215 H G B -j 1828 0V 0 -18,-3.6 -16,-3.1 -2,-0.1 -1,-0.1 -0.492 29.1-120.6 -78.2 156.1 -3.2 76.2 -20.2 1846 216 H R >> - 0 0 116 -18,-0.2 3,-1.2 -2,-0.1 4,-1.1 -0.730 21.1-122.0 -89.0 142.0 -3.3 78.9 -17.6 1847 217 H P H >> S+ 0 0 21 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.869 114.3 60.5 -44.7 -43.0 0.1 80.1 -16.4 1848 218 H E H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.779 100.6 54.0 -56.0 -32.1 -1.1 79.1 -12.8 1849 219 H E H <> S+ 0 0 5 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.826 108.2 47.9 -76.8 -26.3 -1.6 75.5 -14.0 1850 220 H L H < S- 0 0 2 -4,-2.1 3,-1.5 -3,-0.3 -210,-0.1 -0.275 92.6-105.1 -93.3 171.1 8.1 69.8 -3.6 1860 230 H D G > S+ 0 0 111 -212,-0.5 3,-1.6 1,-0.3 -478,-0.1 0.646 107.3 79.9 -67.3 -20.3 8.5 66.7 -1.6 1861 231 H D G 3 S+ 0 0 11 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.713 94.2 47.5 -59.4 -30.1 5.6 65.0 -3.3 1862 232 H S G X S+ 0 0 0 -3,-1.5 3,-2.4 -6,-0.7 -1,-0.3 0.026 73.1 127.0-101.2 29.8 7.9 64.2 -6.3 1863 233 H S T < S+ 0 0 22 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.642 77.5 42.3 -64.1 -16.5 10.7 62.9 -4.1 1864 234 H Y T 3 S+ 0 0 1 -3,-0.3 -460,-2.9 -485,-0.3 -461,-0.6 0.094 96.1 99.9-110.7 16.4 10.9 59.6 -6.1 1865 235 H V < + 0 0 0 -3,-2.4 2,-0.3 -463,-0.2 -463,-0.1 -0.923 46.2 156.2-105.1 129.7 10.6 61.4 -9.4 1866 236 H A + 0 0 1 -2,-0.5 -461,-0.2 -465,-0.2 -45,-0.2 -0.975 55.9 4.5-157.8 135.8 13.8 62.0 -11.4 1867 237 H G S S+ 0 0 0 -47,-2.1 -46,-0.2 -2,-0.3 -60,-0.1 0.470 87.6 146.8 73.3 3.2 14.9 62.6 -15.0 1868 238 H I - 0 0 3 -467,-0.1 -46,-2.7 -48,-0.1 2,-0.5 -0.137 51.1-136.4 -76.0 163.0 11.4 62.7 -16.2 1869 239 H E E -h 1822 0T 34 -48,-0.2 2,-0.9 -45,-0.0 -46,-0.2 -0.986 23.3-159.7-112.6 108.0 9.8 64.7 -18.9 1870 240 H L E -h 1823 0T 1 -48,-2.7 -46,-3.1 -2,-0.5 2,-0.4 -0.797 6.0-148.8 -96.1 109.3 6.5 66.0 -17.5 1871 241 H F E +h 1824 0T 27 -2,-0.9 2,-0.4 -48,-0.2 -475,-0.2 -0.617 18.0 178.9 -80.4 123.4 4.0 67.0 -20.2 1872 242 H V E +h 1825 0T 1 -48,-2.9 -46,-1.8 -2,-0.4 -477,-0.2 -0.677 44.9 111.4-119.2 77.2 1.7 69.9 -19.1 1873 243 H D S > S- 0 0 0 -2,-0.4 3,-1.8 -48,-0.2 -46,-0.2 0.165 87.7-105.1-144.3 10.9 -0.3 70.3 -22.4 1874 244 H G T 3 S- 0 0 0 -480,-2.8 -33,-2.2 1,-0.3 -32,-0.2 0.720 84.1 -53.4 57.4 23.1 -3.8 69.2 -21.8 1875 245 H G T >> S+ 0 0 0 -481,-0.3 3,-3.2 -479,-0.2 4,-0.8 0.107 99.3 132.0 111.2 -14.8 -3.2 66.0 -23.7 1876 246 H L T <4 S+ 0 0 25 -3,-1.8 3,-0.4 1,-0.3 -2,-0.1 0.729 80.9 31.1 -45.6 -49.7 -1.8 67.4 -26.9 1877 247 H T T 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.384 114.6 66.0 -86.3 2.2 1.4 65.1 -27.2 1878 248 H Q T <4 0 0 13 -3,-3.2 -2,-0.2 -482,-0.1 -1,-0.2 0.574 360.0 360.0-106.4 -9.3 -0.4 62.1 -25.4 1879 249 H V < 0 0 45 -4,-0.8 -796,-2.6 -3,-0.4 -2,-0.1 0.569 360.0 360.0-126.4 360.0 -3.1 61.1 -27.9