==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-09 3GED . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE/REDUCTASE SDR; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM ATCC 27405; . AUTHOR R.HUETHER,Z.J.LIU,H.XU,B.C.WANG,V.PLETNEV,Q.MAO,T.UMLAND,W.D . 485 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.0 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 . 2 0.4 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 . 20 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 0 1 2 1 0 2 3 1 0 2 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 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 . 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 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 2 A N 0 0 153 0, 0.0 2,-0.2 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 17.0 33.6 79.7 58.1 2 3 A R - 0 0 35 19,-0.2 25,-2.6 74,-0.0 2,-0.5 -0.659 360.0-131.4-101.5 154.6 36.3 77.3 59.1 3 4 A G E -a 27 0A 2 -2,-0.2 73,-3.2 23,-0.2 74,-1.8 -0.944 33.9-172.3 -98.0 126.4 38.1 76.8 62.5 4 5 A V E -ab 28 77A 0 23,-2.5 25,-2.6 -2,-0.5 2,-0.4 -0.959 14.0-162.0-126.9 131.5 41.8 76.8 61.8 5 6 A I E -ab 29 78A 0 72,-2.7 74,-2.8 -2,-0.4 2,-0.4 -0.945 12.4-175.8-114.8 140.8 44.7 75.9 64.1 6 7 A V E -ab 30 79A 0 23,-2.0 25,-2.0 -2,-0.4 3,-0.5 -0.995 15.0-146.6-136.2 135.4 48.2 77.0 63.3 7 8 A T E S+a 31 0A 8 72,-2.0 25,-0.2 -2,-0.4 23,-0.0 -0.743 86.3 21.9-100.6 153.3 51.5 76.4 65.1 8 9 A G S > S+ 0 0 13 23,-1.1 3,-0.8 -2,-0.3 6,-0.4 0.861 81.7 150.3 64.0 35.2 54.3 79.0 65.1 9 10 A G T 3 + 0 0 0 22,-1.6 9,-0.1 -3,-0.5 23,-0.1 0.469 45.6 74.8 -84.2 -4.0 51.6 81.6 64.4 10 11 A G T 3 S+ 0 0 4 21,-0.3 2,-0.3 8,-0.0 -1,-0.2 0.469 101.6 19.7 -91.3 -0.3 53.1 84.6 66.0 11 12 A H S X> S- 0 0 51 -3,-0.8 4,-1.6 30,-0.0 3,-0.8 -0.985 103.0 -10.6-158.3 162.1 55.8 85.4 63.4 12 13 A G H 3> S- 0 0 17 -2,-0.3 4,-1.9 167,-0.2 5,-0.2 -0.053 121.4 -0.2 54.3-132.5 57.0 84.9 59.9 13 14 A I H 3> S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 134.8 52.9 -61.3 -43.1 55.3 82.3 57.7 14 15 A G H <> S+ 0 0 0 -3,-0.8 4,-2.5 -6,-0.4 -1,-0.2 0.898 107.2 52.3 -59.6 -40.4 52.8 81.3 60.5 15 16 A K H X S+ 0 0 87 -4,-1.6 4,-2.3 -7,-0.3 -1,-0.2 0.923 110.0 47.7 -63.1 -43.1 51.8 84.9 61.1 16 17 A Q H X S+ 0 0 49 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.873 109.6 53.6 -70.0 -35.4 51.0 85.4 57.4 17 18 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.939 108.7 49.9 -62.0 -45.4 49.0 82.1 57.2 18 19 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.931 111.5 48.7 -58.4 -48.1 46.9 83.3 60.2 19 20 A L H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.909 109.2 52.4 -57.4 -44.4 46.2 86.6 58.5 20 21 A D H X S+ 0 0 7 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.885 110.0 47.8 -62.9 -40.7 45.3 84.9 55.2 21 22 A F H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.4 0.876 110.4 52.3 -65.8 -37.9 42.8 82.7 56.9 22 23 A L H ><5S+ 0 0 37 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.929 109.5 49.9 -60.4 -42.2 41.3 85.6 58.8 23 24 A E H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 104.5 58.1 -64.9 -32.8 40.9 87.4 55.5 24 25 A A T 3<5S- 0 0 53 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.518 126.2-101.0 -73.3 -7.4 39.2 84.3 54.1 25 26 A G T < 5S+ 0 0 51 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.515 79.0 131.4 102.1 7.3 36.6 84.6 56.8 26 27 A D < - 0 0 3 -5,-2.5 2,-0.4 -25,-0.2 -1,-0.3 -0.320 56.5-121.0 -90.0 168.6 37.8 81.9 59.2 27 28 A K E -a 3 0A 95 -25,-2.6 -23,-2.5 -2,-0.1 2,-0.4 -0.912 32.4-160.8-106.1 141.3 38.5 81.9 62.9 28 29 A V E -ac 4 48A 0 19,-2.7 21,-2.9 -2,-0.4 2,-0.4 -0.975 17.4-172.6-133.3 133.8 42.1 81.0 63.8 29 30 A C E -ac 5 49A 0 -25,-2.6 -23,-2.0 -2,-0.4 2,-0.4 -0.994 18.3-175.9-121.8 128.3 43.7 79.8 67.0 30 31 A F E -ac 6 50A 0 19,-2.6 21,-2.5 -2,-0.4 2,-0.4 -0.935 18.5-146.0-128.0 150.4 47.5 79.7 67.1 31 32 A I E +ac 7 51A 1 -25,-2.0 -22,-1.6 -2,-0.4 -23,-1.1 -0.870 26.0 163.2-107.2 147.9 50.2 78.5 69.4 32 33 A D E - c 0 52A 6 19,-1.3 21,-1.4 -2,-0.4 -2,-0.0 -0.970 41.1-131.4-164.3 145.6 53.5 80.2 69.8 33 34 A I S S+ 0 0 69 -2,-0.3 2,-0.9 19,-0.2 21,-0.1 0.687 89.4 75.2 -74.9 -20.6 56.4 80.3 72.2 34 35 A D > - 0 0 69 1,-0.2 4,-2.0 19,-0.1 5,-0.2 -0.778 58.8-172.4-102.7 102.2 56.7 84.2 72.4 35 36 A E H > S+ 0 0 113 -2,-0.9 4,-3.1 1,-0.2 5,-0.3 0.874 77.7 51.9 -59.6 -45.1 54.0 85.6 74.5 36 37 A K H > S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.951 113.8 39.6 -62.6 -53.2 54.5 89.3 73.8 37 38 A R H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 119.3 49.4 -64.0 -38.7 54.6 89.3 70.0 38 39 A S H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.889 109.0 49.0 -70.9 -42.4 51.8 86.8 69.9 39 40 A A H X S+ 0 0 43 -4,-3.1 4,-1.3 -5,-0.2 -1,-0.2 0.937 112.5 50.3 -61.3 -44.1 49.5 88.6 72.3 40 41 A D H < S+ 0 0 90 -4,-2.3 3,-0.5 -5,-0.3 -2,-0.2 0.916 108.0 53.1 -57.4 -44.2 50.1 91.8 70.3 41 42 A F H < S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.918 113.9 42.4 -59.4 -44.1 49.2 89.9 67.0 42 43 A A H >< S+ 0 0 18 -4,-2.1 3,-1.7 -5,-0.1 6,-0.3 0.667 88.6 117.2 -75.6 -17.3 45.9 88.7 68.5 43 44 A K T 3< S- 0 0 150 -4,-1.3 -3,-0.0 -3,-0.5 6,-0.0 -0.279 88.0 -1.7 -63.0 132.5 45.0 92.1 70.1 44 45 A E T 3 S+ 0 0 173 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.794 103.4 110.1 59.1 27.7 41.9 93.7 68.8 45 46 A R X - 0 0 106 -3,-1.7 3,-2.3 3,-0.2 -1,-0.1 -0.795 51.4-168.8-125.9 89.2 41.4 90.9 66.3 46 47 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.692 81.8 50.5 -62.1 -21.8 38.3 89.1 67.6 47 48 A N T 3 S+ 0 0 78 -21,-0.1 -19,-2.7 -20,-0.1 2,-0.5 0.266 96.8 81.9 -96.2 13.0 38.5 86.1 65.4 48 49 A L E < -c 28 0A 6 -3,-2.3 2,-0.4 -6,-0.3 -3,-0.2 -0.972 60.3-173.3-122.3 118.3 42.2 85.4 66.2 49 50 A F E -c 29 0A 45 -21,-2.9 -19,-2.6 -2,-0.5 2,-0.4 -0.933 8.1-152.9-117.9 137.0 43.0 83.6 69.4 50 51 A Y E -c 30 0A 31 -2,-0.4 2,-0.4 -21,-0.2 -19,-0.2 -0.881 7.9-170.5-114.1 139.7 46.4 83.0 70.9 51 52 A F E -c 31 0A 40 -21,-2.5 -19,-1.3 -2,-0.4 2,-0.4 -0.990 18.5-142.6-122.9 116.8 47.6 80.2 73.1 52 53 A H E +c 32 0A 88 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.666 47.9 103.2 -81.1 128.0 51.1 80.6 74.7 53 54 A G - 0 0 11 -21,-1.4 2,-0.6 -2,-0.4 -19,-0.1 -0.936 67.3 -91.8 175.9 170.7 53.1 77.4 74.9 54 55 A D > - 0 0 42 -2,-0.3 3,-1.8 1,-0.1 6,-0.2 -0.887 21.4-153.5-100.3 118.6 55.9 75.1 73.7 55 56 A V T 3 S+ 0 0 11 -2,-0.6 6,-0.1 1,-0.3 -1,-0.1 0.644 89.0 78.8 -65.2 -10.5 54.7 72.5 71.1 56 57 A A T 3 S+ 0 0 24 1,-0.1 -1,-0.3 4,-0.1 48,-0.1 0.685 82.0 76.3 -66.8 -19.5 57.7 70.3 72.3 57 58 A D S X> S- 0 0 64 -3,-1.8 4,-1.8 1,-0.1 3,-0.5 -0.849 70.7-154.9-103.1 117.4 55.5 69.4 75.3 58 59 A P H 3> S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.841 95.4 55.0 -61.3 -34.0 52.7 66.8 74.6 59 60 A L H 3> S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.880 106.0 52.5 -68.9 -32.5 50.6 68.0 77.5 60 61 A T H <> S+ 0 0 18 -3,-0.5 4,-2.5 -6,-0.2 -1,-0.2 0.886 105.8 54.9 -66.2 -38.9 50.7 71.5 76.1 61 62 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 107.8 49.1 -61.2 -42.6 49.5 70.2 72.8 62 63 A K H X S+ 0 0 104 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.941 113.1 45.9 -62.2 -44.4 46.5 68.6 74.4 63 64 A K H X S+ 0 0 111 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.850 110.5 55.0 -68.0 -32.6 45.6 71.8 76.3 64 65 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.924 109.0 46.6 -64.4 -46.8 46.1 73.8 73.1 65 66 A V H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 111.9 51.0 -64.5 -38.3 43.7 71.6 71.2 66 67 A E H X S+ 0 0 86 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.910 111.6 48.2 -62.1 -41.3 41.2 71.9 74.1 67 68 A Y H X S+ 0 0 59 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.934 110.8 50.3 -65.2 -46.1 41.6 75.7 74.1 68 69 A A H X>S+ 0 0 0 -4,-2.8 4,-3.5 1,-0.2 5,-0.6 0.902 109.2 51.2 -60.0 -40.0 41.1 75.9 70.4 69 70 A M H X5S+ 0 0 58 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.901 110.3 50.3 -64.3 -37.1 37.9 73.8 70.6 70 71 A E H <5S+ 0 0 135 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.878 120.4 34.6 -67.6 -37.1 36.6 76.1 73.3 71 72 A K H <5S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.841 131.0 29.2 -86.3 -37.9 37.3 79.2 71.2 72 73 A L H <5S- 0 0 12 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.765 83.0-149.4 -94.0 -29.8 36.6 77.9 67.6 73 74 A Q S < > - 0 0 2 55,-0.2 5,-2.6 54,-0.1 3,-0.8 -0.630 45.3 -27.4-157.8-141.0 74.3 69.4 63.8 89 90 A I G > 5S+ 0 0 119 1,-0.3 3,-0.8 3,-0.2 -2,-0.0 0.761 123.3 56.9 -68.1 -27.7 77.1 66.9 63.8 90 91 A L G 3 5S+ 0 0 129 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.789 112.9 42.8 -75.0 -25.8 79.9 69.4 63.1 91 92 A S G < 5S- 0 0 59 -3,-0.8 -1,-0.3 50,-0.0 -2,-0.2 0.390 114.4-123.6 -89.5 -0.4 78.9 71.3 66.2 92 93 A S T < 5 - 0 0 93 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.895 32.7-155.9 51.3 45.8 78.5 67.9 68.0 93 94 A L < - 0 0 29 -5,-2.6 -1,-0.2 1,-0.1 5,-0.1 -0.281 20.0-114.0 -52.2 121.8 74.8 68.8 68.7 94 95 A L >> - 0 0 101 -3,-0.2 4,-2.3 1,-0.1 3,-1.0 -0.174 17.7-110.5 -65.3 153.7 73.9 66.8 71.8 95 96 A Y H 3> S+ 0 0 180 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.856 116.8 53.0 -48.0 -46.0 71.3 64.0 71.7 96 97 A E H 3> S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.810 110.0 47.0 -64.5 -32.5 68.8 66.0 73.8 97 98 A E H <> S+ 0 0 104 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.852 111.4 50.6 -79.9 -34.9 69.0 69.1 71.5 98 99 A F H X S+ 0 0 68 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.932 111.3 50.7 -61.2 -45.5 68.6 66.9 68.4 99 100 A D H X S+ 0 0 60 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.899 105.9 54.6 -60.3 -40.2 65.6 65.3 70.2 100 101 A Y H X S+ 0 0 83 -4,-1.6 4,-2.1 1,-0.2 5,-0.2 0.918 105.6 52.1 -62.9 -43.6 64.1 68.8 71.0 101 102 A I H X S+ 0 0 15 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.901 110.9 48.7 -57.8 -40.4 64.2 69.7 67.3 102 103 A L H X>S+ 0 0 35 -4,-1.9 5,-2.8 2,-0.2 4,-2.2 0.881 107.0 56.6 -66.1 -38.2 62.4 66.5 66.5 103 104 A S H <>S+ 0 0 11 -4,-2.5 5,-1.8 3,-0.2 -2,-0.2 0.933 115.3 35.9 -58.1 -46.0 59.8 67.3 69.3 104 105 A V H <5S+ 0 0 6 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.872 127.7 34.8 -74.8 -36.3 58.9 70.6 67.7 105 106 A G H <5S+ 0 0 7 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.587 134.6 9.5-102.5 -10.1 59.2 69.6 64.1 106 107 A L T X5S+ 0 0 45 -4,-2.2 4,-1.5 -5,-0.2 -3,-0.2 0.593 123.6 49.0-138.7 -48.9 58.0 66.0 63.9 107 108 A K H > S+ 0 0 4 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.910 114.6 46.6 -60.3 -36.0 52.7 67.5 63.9 110 111 A Y H X S+ 0 0 115 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.956 114.3 45.6 -65.5 -51.3 51.9 63.9 64.6 111 112 A E H X S+ 0 0 40 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.877 112.9 49.3 -64.1 -39.1 50.4 64.5 68.0 112 113 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.920 112.1 49.6 -68.1 -38.1 48.3 67.4 66.9 113 114 A S H X S+ 0 0 3 -4,-1.8 4,-0.5 -5,-0.3 -2,-0.2 0.924 113.0 47.3 -61.7 -41.8 47.1 65.3 64.0 114 115 A R H >< S+ 0 0 113 -4,-2.8 3,-1.0 1,-0.2 4,-0.4 0.938 112.6 48.1 -64.4 -46.1 46.3 62.5 66.4 115 116 A L H 3< S+ 0 0 39 -4,-2.9 4,-0.2 1,-0.3 -1,-0.2 0.861 119.8 39.2 -61.1 -37.2 44.5 64.9 68.9 116 117 A C H 3X S+ 0 0 2 -4,-2.2 4,-3.2 -5,-0.2 5,-0.3 0.373 86.3 108.8 -93.4 3.4 42.5 66.4 66.1 117 118 A R H S+ 0 0 103 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.887 117.1 50.5 -61.6 -41.3 38.2 62.6 64.9 119 120 A E H > S+ 0 0 37 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 112.6 46.1 -63.3 -45.3 37.3 66.2 64.5 120 121 A L H <>S+ 0 0 0 -4,-3.2 5,-2.7 2,-0.2 4,-0.4 0.889 113.2 49.8 -65.1 -39.1 39.1 66.6 61.2 121 122 A I H ><5S+ 0 0 54 -4,-2.5 3,-1.3 -5,-0.3 -2,-0.2 0.957 112.5 48.1 -61.8 -47.0 37.5 63.3 59.9 122 123 A K H 3<5S+ 0 0 138 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.886 116.7 41.9 -61.1 -39.5 34.1 64.5 61.0 123 124 A N T 3<5S- 0 0 22 -4,-2.3 -1,-0.3 -48,-0.3 -2,-0.2 0.395 106.1-124.6 -89.5 4.2 34.6 67.9 59.3 124 125 A K T < 5 + 0 0 134 -3,-1.3 -3,-0.2 -4,-0.4 43,-0.1 0.933 58.0 167.7 48.6 52.3 36.2 66.5 56.2 125 126 A G < - 0 0 4 -5,-2.7 43,-1.7 -50,-0.2 2,-0.4 0.202 31.6-112.6 -89.1-159.4 39.1 68.8 56.9 126 127 A R E -de 77 168A 41 -50,-2.2 -48,-2.2 41,-0.2 2,-0.4 -0.990 8.3-156.4-141.4 144.1 42.7 69.4 55.9 127 128 A I E -de 78 169A 0 41,-2.1 43,-2.2 -2,-0.4 2,-0.5 -0.988 11.9-170.8-119.7 130.6 46.2 69.2 57.3 128 129 A I E -de 79 170A 2 -50,-2.9 -48,-2.4 -2,-0.4 2,-0.4 -0.981 4.6-162.5-122.0 123.2 49.0 71.2 55.9 129 130 A N E -de 80 171A 0 41,-2.9 43,-2.5 -2,-0.5 2,-0.7 -0.862 9.8-146.0-104.8 135.0 52.6 70.6 57.0 130 131 A I E + e 0 172A 5 -50,-3.1 -48,-0.4 -2,-0.4 43,-0.2 -0.885 31.8 158.0-100.1 118.3 55.3 73.1 56.4 131 132 A A - 0 0 4 41,-3.4 2,-0.3 -2,-0.7 42,-0.1 0.235 31.2-118.9-105.0-128.9 58.7 71.5 55.7 132 133 A S > - 0 0 8 41,-0.2 3,-1.9 17,-0.1 43,-0.2 -0.920 24.1-108.7-172.3 151.5 61.7 72.9 54.0 133 134 A T G >> S+ 0 0 20 41,-2.1 3,-1.9 1,-0.3 4,-1.4 0.668 110.2 82.1 -63.2 -13.4 63.8 72.2 50.9 134 135 A R G 34 S+ 0 0 89 40,-0.3 -1,-0.3 1,-0.3 16,-0.2 0.584 74.9 73.2 -66.5 -6.7 66.4 71.1 53.5 135 136 A A G <4 S+ 0 0 27 -3,-1.9 -1,-0.3 14,-0.2 -2,-0.2 0.728 108.8 29.8 -68.5 -23.6 64.4 67.8 53.5 136 137 A F T <4 S+ 0 0 108 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.655 127.7 24.8-118.4 -22.4 65.9 67.0 50.1 137 138 A Q S < S- 0 0 107 -4,-1.4 2,-0.4 2,-0.0 -1,-0.3 -0.957 71.6-147.7-137.9 156.0 69.4 68.7 50.0 138 139 A S - 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