==== 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 23-AUG-08 3E9Q . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A; . AUTHOR Y.KIM,X.XU,H.CUI,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST . 511 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.3 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 . 2 0.4 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 . 22 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 2 0 2 0 0 2 3 0 2 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 5 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 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 F 0 0 197 0, 0.0 2,-0.3 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 117.1 16.9 6.2 24.1 2 -1 A Q > + 0 0 110 4,-0.1 3,-2.8 233,-0.0 4,-0.2 -0.936 360.0 21.6-176.6 178.4 14.0 8.3 25.3 3 0 A G G > S+ 0 0 10 1,-0.3 3,-1.0 -2,-0.3 226,-0.2 -0.268 136.5 4.5 47.3-110.9 12.1 11.4 24.2 4 1 A X G 3 S+ 0 0 64 240,-0.2 -1,-0.3 1,-0.2 222,-0.1 0.683 130.5 60.3 -79.0 -17.4 12.9 11.8 20.5 5 2 A H G < S+ 0 0 122 -3,-2.8 -1,-0.2 220,-0.1 -2,-0.2 0.265 79.8 140.5 -87.2 12.8 14.9 8.5 20.3 6 3 A Y < - 0 0 20 -3,-1.0 222,-0.1 -4,-0.2 -4,-0.1 -0.329 37.8-167.2 -70.0 133.6 11.7 6.6 21.4 7 4 A Q - 0 0 161 -2,-0.1 -1,-0.1 -6,-0.1 -2,-0.0 -0.858 22.2-158.1-120.0 89.5 10.9 3.2 19.8 8 5 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.241 14.5-117.9 -74.8 154.5 7.3 2.6 20.9 9 6 A K > - 0 0 177 1,-0.1 3,-1.3 29,-0.1 2,-0.0 -0.645 40.9 -98.4 -76.5 151.4 5.5 -0.7 21.0 10 7 A Q T 3 S+ 0 0 155 -2,-0.3 28,-0.1 1,-0.2 -1,-0.1 -0.408 112.4 25.3 -63.0 153.5 2.4 -1.1 18.8 11 8 A D T > S+ 0 0 94 26,-0.3 3,-1.8 1,-0.1 -1,-0.2 0.637 74.7 147.8 56.5 24.6 -0.7 -0.4 20.8 12 9 A L T < S+ 0 0 33 -3,-1.3 221,-0.3 1,-0.3 27,-0.1 0.791 74.0 43.6 -45.2 -38.5 1.1 1.7 23.3 13 10 A L T > S+ 0 0 0 25,-2.7 3,-1.7 22,-0.2 28,-0.3 0.193 75.8 149.8-108.9 17.7 -2.1 3.8 23.8 14 11 A N T < S+ 0 0 92 -3,-1.8 26,-0.2 24,-0.3 3,-0.1 -0.227 76.4 7.5 -48.5 132.2 -4.7 1.1 24.0 15 12 A D T 3 S+ 0 0 107 24,-0.9 2,-0.5 1,-0.2 -1,-0.3 0.785 96.3 130.5 61.1 28.1 -7.6 2.3 26.2 16 13 A R < - 0 0 35 -3,-1.7 25,-3.0 23,-0.3 2,-0.6 -0.957 49.0-148.9-108.7 132.3 -6.2 5.9 26.5 17 14 A I E -a 41 0A 11 -2,-0.5 80,-2.4 23,-0.2 81,-1.7 -0.912 23.0-179.5-102.2 118.0 -8.7 8.7 25.8 18 15 A I E -ab 42 98A 1 23,-2.3 25,-2.3 -2,-0.6 2,-0.4 -0.982 18.2-153.7-129.4 126.9 -6.7 11.7 24.3 19 16 A L E -ab 43 99A 1 79,-2.7 81,-2.5 -2,-0.4 2,-0.5 -0.817 12.6-166.6-100.0 132.6 -8.1 15.1 23.2 20 17 A V E -ab 44 100A 0 23,-2.9 25,-2.3 -2,-0.4 3,-0.4 -0.984 5.1-153.7-123.8 125.7 -6.1 16.9 20.6 21 18 A T S S+ 0 0 1 79,-2.5 25,-0.2 -2,-0.5 81,-0.2 -0.559 78.8 27.6 -96.1 163.8 -6.7 20.6 19.8 22 19 A G S > S+ 0 0 12 23,-0.4 3,-0.8 -2,-0.2 6,-0.4 0.876 78.7 156.5 54.0 40.6 -6.0 22.3 16.5 23 20 A A T 3 + 0 0 0 22,-2.1 23,-0.1 -3,-0.4 -1,-0.1 0.488 44.7 80.5 -79.9 -3.7 -6.6 18.8 15.0 24 21 A S T 3 S+ 0 0 10 21,-0.2 2,-0.3 5,-0.0 -1,-0.2 0.776 98.4 12.3 -75.1 -24.0 -7.6 19.9 11.5 25 22 A D S X> S- 0 0 79 -3,-0.8 4,-2.2 30,-0.0 3,-0.7 -0.843 103.6 -6.9-146.5 166.4 -4.1 20.5 10.0 26 23 A G H 3> S- 0 0 14 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.047 119.8 -2.5 48.6-129.3 -0.4 20.0 10.4 27 24 A I H 3> S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.885 132.4 54.8 -69.7 -38.5 0.9 18.6 13.6 28 25 A G H <> S+ 0 0 0 -3,-0.7 4,-2.5 -6,-0.4 -5,-0.2 0.924 109.9 47.9 -63.1 -41.5 -2.5 18.4 15.4 29 26 A R H X S+ 0 0 101 -4,-2.2 4,-2.2 -7,-0.4 -1,-0.2 0.932 113.8 46.7 -60.8 -44.1 -3.8 16.3 12.5 30 27 A E H X S+ 0 0 39 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.908 111.7 51.2 -68.8 -38.6 -0.8 14.0 12.5 31 28 A A H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.928 109.8 49.3 -66.6 -43.3 -0.9 13.6 16.3 32 29 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.929 115.0 44.5 -59.0 -47.6 -4.6 12.6 16.3 33 30 A X H X S+ 0 0 22 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.900 114.8 48.5 -65.8 -40.0 -4.0 10.1 13.5 34 31 A T H X S+ 0 0 2 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.932 109.9 51.0 -68.5 -42.3 -0.9 8.7 15.2 35 32 A Y H <>S+ 0 0 0 -4,-3.2 5,-2.7 -5,-0.2 3,-0.3 0.948 111.7 47.6 -61.8 -41.9 -2.5 8.4 18.6 36 33 A A H ><5S+ 0 0 2 -4,-2.1 3,-1.8 -5,-0.3 -1,-0.2 0.906 107.7 56.4 -64.9 -36.2 -5.4 6.5 17.1 37 34 A R H 3<5S+ 0 0 98 -4,-2.2 -26,-0.3 1,-0.3 -1,-0.2 0.820 106.5 50.9 -65.3 -30.6 -3.0 4.2 15.1 38 35 A Y T 3<5S- 0 0 58 -4,-1.8 -25,-2.7 -3,-0.3 -24,-0.3 0.190 133.3 -89.1 -95.0 18.4 -1.3 3.3 18.4 39 36 A G T < 5S+ 0 0 11 -3,-1.8 -24,-0.9 1,-0.3 -23,-0.3 0.381 77.1 142.3 107.8 -3.6 -4.6 2.4 20.0 40 37 A A < - 0 0 1 -5,-2.7 2,-0.9 -26,-0.2 -1,-0.3 -0.338 53.0-127.2 -74.1 154.9 -6.0 5.6 21.5 41 38 A T E -a 17 0A 56 -25,-3.0 -23,-2.3 -28,-0.3 2,-0.3 -0.880 40.5-157.3 -90.4 107.8 -9.6 6.8 21.6 42 39 A V E -a 18 0A 4 -2,-0.9 26,-0.6 -25,-0.2 2,-0.4 -0.694 18.6-161.3 -95.2 142.2 -9.1 10.3 20.2 43 40 A I E -ac 19 68A 0 -25,-2.3 -23,-2.9 -2,-0.3 2,-0.4 -0.990 17.4-148.5-115.9 126.0 -11.3 13.4 20.5 44 41 A L E -ac 20 69A 0 24,-2.3 26,-2.3 -2,-0.4 2,-0.4 -0.801 13.7-173.0 -97.4 133.9 -10.6 16.1 17.9 45 42 A L E + c 0 70A 4 -25,-2.3 -22,-2.1 -2,-0.4 -23,-0.4 -0.990 25.1 117.7-124.5 136.1 -11.1 19.7 18.7 46 43 A G E - c 0 71A 6 24,-1.6 26,-2.1 -2,-0.4 3,-0.1 -0.975 62.6-106.7-171.8-172.6 -10.9 22.6 16.2 47 44 A R S S+ 0 0 179 -2,-0.3 2,-0.8 24,-0.2 26,-0.1 0.672 92.8 78.4-103.8 -13.4 -12.9 25.4 14.6 48 45 A N > - 0 0 67 1,-0.2 4,-2.4 24,-0.1 5,-0.2 -0.807 55.5-169.8-105.0 100.8 -13.4 23.9 11.1 49 46 A E H > S+ 0 0 98 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.905 85.3 50.9 -55.3 -46.9 -16.2 21.3 11.0 50 47 A E H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 112.7 44.6 -57.8 -48.7 -15.4 20.1 7.4 51 48 A K H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 112.6 51.6 -70.1 -37.1 -11.7 19.6 8.0 52 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.919 108.5 51.2 -64.6 -44.5 -12.3 17.9 11.4 53 50 A R H X S+ 0 0 125 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.882 108.6 53.3 -55.1 -39.1 -14.8 15.5 9.8 54 51 A Q H X S+ 0 0 103 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.928 109.5 46.6 -67.1 -40.2 -12.1 14.8 7.1 55 52 A V H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.934 113.0 49.9 -65.3 -46.2 -9.5 13.9 9.8 56 53 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.903 109.3 52.0 -57.9 -39.9 -12.0 11.7 11.6 57 54 A S H X S+ 0 0 64 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.919 109.4 49.5 -65.8 -39.2 -12.9 10.0 8.3 58 55 A H H X S+ 0 0 111 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.893 111.3 48.4 -64.9 -41.5 -9.2 9.3 7.6 59 56 A I H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 6,-0.4 0.908 112.0 50.4 -65.1 -43.4 -8.8 7.8 11.1 60 57 A N H X S+ 0 0 57 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.929 109.8 50.1 -56.7 -42.5 -11.9 5.7 10.6 61 58 A E H < S+ 0 0 157 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.950 118.1 40.4 -64.9 -40.6 -10.6 4.5 7.3 62 59 A E H < S+ 0 0 99 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.881 131.3 19.3 -75.6 -39.1 -7.3 3.6 8.9 63 60 A T H < S- 0 0 46 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.569 93.6-118.7-115.1 -14.4 -8.3 2.1 12.2 64 61 A G S < S+ 0 0 65 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.2 0.353 82.1 95.6 89.9 -6.0 -12.0 1.1 11.9 65 62 A R - 0 0 91 -6,-0.4 -2,-0.3 -9,-0.1 -1,-0.3 -0.859 68.6-132.8-117.6 152.4 -13.3 3.4 14.6 66 63 A Q - 0 0 104 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.905 17.6-150.1-106.3 114.7 -14.7 6.9 14.2 67 64 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -24,-0.2 -0.473 18.8-124.7 -71.6 150.5 -13.4 9.5 16.6 68 65 A Q E -c 43 0A 60 -26,-0.6 -24,-2.3 -2,-0.1 2,-0.3 -0.633 21.7-154.1 -93.6 159.7 -15.7 12.3 17.6 69 66 A W E -c 44 0A 61 -2,-0.2 2,-0.3 -26,-0.2 -24,-0.2 -0.938 5.3-161.4-129.6 155.2 -15.0 16.0 17.1 70 67 A F E -c 45 0A 20 -26,-2.3 -24,-1.6 -2,-0.3 2,-0.5 -0.942 20.5-122.0-132.5 155.1 -16.2 19.1 18.9 71 68 A I E +c 46 0A 71 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.855 37.5 154.4-104.4 128.5 -16.0 22.7 17.7 72 69 A L - 0 0 12 -26,-2.1 2,-0.7 -2,-0.5 -24,-0.1 -0.944 27.6-155.2-149.1 133.7 -14.3 25.4 19.7 73 70 A D >> - 0 0 57 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.920 5.7-164.0-104.8 107.8 -12.8 28.6 18.4 74 71 A L T 34 S+ 0 0 12 -2,-0.7 -1,-0.1 1,-0.2 56,-0.1 0.766 84.3 64.1 -67.4 -22.6 -10.0 29.7 20.8 75 72 A L T 34 S+ 0 0 61 1,-0.2 -1,-0.2 -3,-0.1 51,-0.0 0.841 121.1 17.6 -65.9 -33.3 -10.0 33.2 19.4 76 73 A T T <4 S+ 0 0 94 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.493 92.0 123.1-119.7 -4.1 -13.5 34.0 20.5 77 74 A C < - 0 0 6 -4,-1.8 2,-0.2 4,-0.1 56,-0.1 -0.292 46.2-148.6 -67.4 140.2 -14.4 31.3 23.2 78 75 A T > - 0 0 60 1,-0.1 4,-1.9 55,-0.0 5,-0.2 -0.581 32.6-103.2 -94.9 171.6 -15.5 32.5 26.6 79 76 A S H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 125.4 56.8 -59.8 -40.8 -14.9 30.6 29.8 80 77 A E H > S+ 0 0 129 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.923 103.5 52.4 -53.6 -46.5 -18.5 29.5 29.6 81 78 A N H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 109.1 49.8 -59.6 -43.7 -17.9 28.0 26.2 82 79 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.923 111.4 48.1 -62.1 -44.8 -15.0 26.0 27.5 83 80 A Q H X S+ 0 0 100 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.909 110.1 52.5 -60.2 -40.7 -17.2 24.8 30.4 84 81 A Q H X S+ 0 0 70 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.918 109.2 50.9 -59.9 -43.1 -20.0 23.9 27.9 85 82 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.939 108.6 49.1 -60.2 -47.6 -17.5 21.9 25.9 86 83 A A H X S+ 0 0 13 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.911 110.0 54.0 -61.6 -37.6 -16.3 20.0 28.9 87 84 A Q H X S+ 0 0 121 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.955 107.1 51.1 -57.5 -49.5 -20.0 19.3 29.6 88 85 A R H >< S+ 0 0 116 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.917 113.7 43.0 -58.2 -46.4 -20.4 17.9 26.1 89 86 A I H >X S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.2 4,-1.8 0.936 105.7 63.8 -64.8 -38.4 -17.5 15.6 26.4 90 87 A V H 3< S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.766 95.9 59.2 -61.0 -22.8 -18.5 14.6 30.0 91 88 A V T << S+ 0 0 115 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.717 119.1 28.8 -73.7 -20.1 -21.8 13.1 28.6 92 89 A N T <4 S+ 0 0 97 -3,-2.5 -2,-0.2 -4,-0.5 -1,-0.2 0.592 116.3 49.4-118.8 -17.0 -19.8 10.7 26.4 93 90 A Y < - 0 0 33 -4,-1.8 -1,-0.2 1,-0.1 3,-0.0 -0.992 57.1-148.9-135.4 136.8 -16.4 10.0 28.1 94 91 A P S S- 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.755 78.5 -16.1 -78.8 -21.7 -15.5 8.9 31.7 95 92 A R - 0 0 66 48,-0.0 2,-0.4 49,-0.0 47,-0.2 -0.915 61.0-115.0-159.1 174.3 -12.1 10.6 31.9 96 93 A L - 0 0 0 45,-2.2 49,-0.4 -2,-0.3 -78,-0.2 -0.995 18.3-173.7-120.0 124.2 -9.4 12.2 29.7 97 94 A D S S+ 0 0 7 -80,-2.4 52,-1.8 -2,-0.4 2,-0.3 0.716 73.4 11.2 -84.2 -23.6 -6.0 10.4 29.8 98 95 A G E -bd 18 149A 0 -81,-1.7 -79,-2.7 50,-0.2 2,-0.4 -0.994 52.5-166.1-150.1 153.9 -4.3 13.1 27.7 99 96 A V E -bd 19 150A 0 50,-2.1 52,-2.6 -2,-0.3 2,-0.6 -0.981 9.4-166.9-135.7 121.0 -4.8 16.6 26.4 100 97 A L E -bd 20 151A 0 -81,-2.5 -79,-2.5 -2,-0.4 2,-1.1 -0.950 9.2-155.0-107.5 113.2 -2.5 17.9 23.7 101 98 A H E + d 0 152A 6 50,-3.1 52,-0.6 -2,-0.6 -79,-0.1 -0.758 36.8 145.5 -86.6 102.5 -2.8 21.6 23.2 102 99 A N + 0 0 23 -2,-1.1 -1,-0.2 -81,-0.2 -80,-0.2 0.560 31.8 108.9-114.4 -15.0 -1.6 22.1 19.7 103 100 A A + 0 0 18 -3,-0.2 2,-0.3 -75,-0.1 50,-0.2 -0.328 43.3 141.2 -59.9 144.4 -3.9 25.0 18.6 104 101 A G - 0 0 41 27,-0.0 2,-0.4 -82,-0.0 19,-0.1 -0.961 44.2-129.8-176.8 160.4 -2.0 28.2 18.1 105 102 A L - 0 0 63 -2,-0.3 22,-0.1 18,-0.2 21,-0.0 -0.992 8.0-158.7-124.3 134.6 -1.6 31.4 16.1 106 103 A L - 0 0 16 -2,-0.4 62,-0.4 1,-0.1 -1,-0.1 0.879 28.4-175.1 -77.1 -44.6 1.7 32.5 14.8 107 104 A G - 0 0 22 60,-0.1 2,-0.3 61,-0.1 -1,-0.1 -0.408 43.5 -7.3 79.7-155.8 0.8 36.2 14.2 108 105 A D - 0 0 45 8,-0.2 2,-0.7 -2,-0.1 60,-0.4 -0.570 49.1-156.6 -80.7 138.0 3.2 38.8 12.7 109 106 A V + 0 0 57 -2,-0.3 56,-0.2 57,-0.1 -2,-0.1 -0.926 58.2 98.7-109.7 99.9 6.8 37.9 11.9 110 107 A C S S- 0 0 22 54,-1.4 56,-0.3 -2,-0.7 54,-0.1 -0.953 79.5 -62.5-174.9 162.7 8.2 41.4 11.9 111 108 A P >> - 0 0 37 0, 0.0 3,-2.4 0, 0.0 4,-1.0 -0.146 48.5-111.3 -64.2 155.9 10.2 43.8 14.2 112 109 A X T 34 S+ 0 0 4 1,-0.3 3,-0.4 2,-0.2 329,-0.1 0.827 117.8 64.3 -58.1 -27.7 8.6 44.9 17.4 113 110 A S T 34 S+ 0 0 57 1,-0.2 -1,-0.3 285,-0.0 285,-0.0 0.679 113.4 33.6 -69.6 -15.5 8.3 48.4 16.0 114 111 A E T <4 S+ 0 0 131 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.401 81.4 130.1-117.6 -7.7 5.9 47.0 13.3 115 112 A Q < - 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