==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-SEP-12 4H16 . COMPND 2 MOLECULE: SHORT CHAIN ALCOHOL DEHYDROGENASE-RELATED DEHYDRO . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR A.GHOSH,S.C.ALMO,NEW YORK STRUCTURAL GENOMICS RESEARCH CONSO . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 12.4 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 . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 0 0 0 1 1 1 2 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 0 1 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 1 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 I 0 0 192 0, 0.0 2,-1.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 135.9 30.5 -60.3 19.9 2 3 A E + 0 0 109 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.579 360.0 179.4 -97.6 71.1 33.4 -58.6 18.3 3 4 A F + 0 0 110 -2,-1.2 2,-0.4 1,-0.1 -1,-0.2 0.804 66.8 23.3 -35.1 -47.4 32.6 -59.4 14.7 4 5 A L + 0 0 34 -3,-0.2 2,-0.3 234,-0.1 -1,-0.1 -0.974 64.5 154.6-135.5 135.4 35.6 -57.6 13.4 5 6 A N - 0 0 50 -2,-0.4 233,-0.4 228,-0.1 27,-0.2 -0.977 28.0-159.4-149.6 166.0 39.0 -56.5 14.8 6 7 A L > + 0 0 0 25,-2.9 3,-1.5 -2,-0.3 28,-0.2 -0.043 37.8 153.9-133.3 27.3 42.5 -55.7 13.5 7 8 A R T 3 S+ 0 0 135 24,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.347 70.3 14.0 -60.6 137.2 44.4 -56.3 16.7 8 9 A G T 3 S+ 0 0 67 24,-1.0 -1,-0.3 1,-0.3 2,-0.2 0.137 96.0 128.9 84.9 -20.2 48.1 -57.2 16.1 9 10 A K < - 0 0 36 -3,-1.5 25,-2.7 68,-0.1 2,-0.6 -0.486 51.0-145.6 -77.1 136.1 47.9 -56.2 12.5 10 11 A R E -a 34 0A 60 -2,-0.2 67,-2.7 23,-0.2 68,-2.2 -0.886 23.2-169.6-102.3 121.1 50.6 -53.8 11.1 11 12 A A E -ab 35 78A 0 23,-3.3 25,-2.7 -2,-0.6 2,-0.6 -0.943 23.4-162.6-123.7 128.4 49.2 -51.5 8.5 12 13 A L E -ab 36 79A 0 66,-2.4 68,-3.1 -2,-0.5 2,-0.5 -0.945 17.6-179.1 -96.9 119.3 50.7 -49.0 6.1 13 14 A I E -ab 37 80A 0 23,-2.5 25,-0.7 -2,-0.6 3,-0.4 -0.967 18.2-143.1-120.7 111.3 48.0 -46.6 4.9 14 15 A T S S+ 0 0 2 66,-2.3 68,-0.3 -2,-0.5 25,-0.1 -0.439 73.8 12.9 -77.4 150.4 49.2 -44.1 2.4 15 16 A A + 0 0 31 67,-0.1 3,-0.4 1,-0.1 -1,-0.2 0.924 69.4 160.0 58.8 58.1 48.0 -40.5 2.3 16 17 A G + 0 0 6 22,-1.1 -1,-0.1 -3,-0.4 23,-0.1 0.147 38.8 102.0 -99.9 21.4 46.2 -40.4 5.7 17 18 A T S S- 0 0 54 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.893 89.8 -11.3 -70.7 -42.0 46.1 -36.7 6.2 18 19 A K S >> S+ 0 0 156 -3,-0.4 4,-1.4 4,-0.0 3,-0.9 -0.850 103.4 19.5-149.5 178.7 42.5 -36.0 5.3 19 20 A G H 3> S- 0 0 25 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.147 122.4 -13.7 56.1-142.0 39.3 -37.4 3.7 20 21 A A H 3> S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.802 135.8 61.9 -64.0 -31.8 38.9 -41.2 3.5 21 22 A G H <> S+ 0 0 5 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.960 107.8 41.6 -57.0 -53.0 42.6 -41.6 4.2 22 23 A A H X S+ 0 0 33 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.883 113.9 52.8 -63.2 -39.5 42.3 -40.0 7.7 23 24 A A H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.877 110.3 48.3 -65.5 -34.8 39.0 -41.9 8.4 24 25 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.903 111.2 49.2 -73.1 -42.5 40.7 -45.2 7.5 25 26 A V H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.959 113.4 48.4 -55.9 -49.7 43.7 -44.4 9.8 26 27 A S H X S+ 0 0 67 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.918 113.2 45.7 -61.6 -45.4 41.3 -43.5 12.5 27 28 A L H X S+ 0 0 28 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.918 110.8 52.6 -64.5 -45.1 39.2 -46.6 12.1 28 29 A F H <>S+ 0 0 1 -4,-2.7 5,-2.5 1,-0.2 -1,-0.2 0.900 109.9 49.0 -57.4 -41.8 42.2 -49.0 11.9 29 30 A L H ><5S+ 0 0 83 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.915 109.3 52.9 -64.1 -42.5 43.5 -47.5 15.2 30 31 A E H 3<5S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 107.4 52.7 -55.6 -37.5 40.1 -48.0 16.8 31 32 A L T 3<5S- 0 0 35 -4,-1.9 -25,-2.9 -5,-0.1 -24,-0.3 0.338 125.7 -97.9 -88.7 5.3 40.2 -51.6 15.7 32 33 A G T < 5S+ 0 0 34 -3,-1.4 -24,-1.0 1,-0.3 -3,-0.2 0.489 72.9 143.4 97.4 5.7 43.6 -52.3 17.3 33 34 A A < - 0 0 8 -5,-2.5 2,-0.6 -26,-0.2 -1,-0.3 -0.438 51.8-126.4 -78.1 150.2 45.9 -52.0 14.4 34 35 A Q E -a 10 0A 87 -25,-2.7 -23,-3.3 -28,-0.2 2,-0.4 -0.883 40.0-159.7 -89.3 121.7 49.4 -50.5 14.5 35 36 A V E -a 11 0A 12 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.860 26.3-175.9-116.0 137.7 49.4 -47.9 11.8 36 37 A L E +a 12 0A 1 -25,-2.7 -23,-2.5 -2,-0.4 2,-0.2 -0.999 19.5 177.6-119.6 131.8 52.0 -46.0 9.7 37 38 A T E -ac 13 51A 0 13,-2.9 15,-2.4 -2,-0.4 2,-0.3 -0.783 14.6-134.8-129.4 174.8 50.7 -43.3 7.4 38 39 A T E + c 0 52A 3 -25,-0.7 -22,-1.1 -2,-0.2 -21,-0.4 -0.910 25.0 152.0-133.1 154.1 52.2 -40.8 5.0 39 40 A A E - c 0 53A 14 13,-1.4 15,-2.3 -2,-0.3 3,-0.2 -0.939 51.4-111.2-167.5 161.5 52.0 -37.1 3.9 40 41 A R S S+ 0 0 175 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.885 110.7 14.1 -63.4 -38.5 54.2 -34.4 2.5 41 42 A A S S- 0 0 66 12,-0.1 -1,-0.3 -3,-0.1 11,-0.1 -0.999 88.0-113.2-139.5 136.7 54.0 -32.7 5.9 42 43 A R - 0 0 85 -2,-0.4 2,-0.1 -3,-0.2 6,-0.1 -0.433 35.1-114.9 -65.4 132.2 52.7 -34.0 9.2 43 44 A P > - 0 0 33 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.511 28.8-118.1 -68.2 144.0 49.5 -32.4 10.4 44 45 A E T 3 S+ 0 0 167 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.711 102.5 51.7 -57.0 -29.8 50.2 -30.5 13.7 45 46 A G T 3 S+ 0 0 58 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.769 90.7 82.8 -85.5 -26.6 48.0 -32.5 16.0 46 47 A L S < S- 0 0 89 -3,-0.8 5,-0.1 1,-0.1 -4,-0.0 -0.479 85.5 -86.9 -97.7 153.2 48.9 -36.1 15.5 47 48 A P >> - 0 0 81 0, 0.0 3,-1.2 0, 0.0 4,-0.6 -0.171 26.5-133.8 -57.8 138.0 51.8 -38.3 17.0 48 49 A E G >4 S+ 0 0 152 1,-0.3 3,-0.9 2,-0.2 -2,-0.1 0.828 105.2 63.2 -58.1 -35.0 55.1 -38.2 15.2 49 50 A E G 34 S+ 0 0 120 1,-0.2 -1,-0.3 -13,-0.0 -3,-0.0 0.794 97.9 57.8 -61.0 -28.7 55.3 -42.0 15.4 50 51 A L G <4 S+ 0 0 15 -3,-1.2 -13,-2.9 -14,-0.1 2,-0.4 0.735 103.4 56.5 -75.8 -24.3 52.1 -42.3 13.2 51 52 A F E << -c 37 0A 7 -3,-0.9 2,-0.5 -4,-0.6 -13,-0.2 -0.871 54.0-163.6-119.2 142.1 53.5 -40.4 10.2 52 53 A V E -c 38 0A 7 -15,-2.4 -13,-1.4 -2,-0.4 2,-0.5 -0.989 27.0-132.9-114.4 131.7 56.4 -40.6 7.8 53 54 A E E +c 39 0A 115 -2,-0.5 2,-0.3 -15,-0.2 -13,-0.2 -0.723 48.3 125.6 -86.6 126.7 57.0 -37.4 5.8 54 55 A A - 0 0 13 -15,-2.3 2,-0.8 -2,-0.5 -13,-0.1 -0.977 61.5-115.3-170.9 156.7 57.5 -38.0 2.1 55 56 A D > - 0 0 53 -2,-0.3 3,-1.7 1,-0.1 6,-0.6 -0.864 27.8-172.5-101.8 95.3 56.5 -37.1 -1.5 56 57 A L T 3 S+ 0 0 6 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.542 75.6 76.3 -68.6 -7.6 55.1 -40.5 -2.7 57 58 A T T 3 S+ 0 0 26 4,-0.1 2,-0.3 54,-0.1 -1,-0.3 0.440 92.2 65.6 -80.6 1.3 54.7 -39.1 -6.2 58 59 A T S <> S- 0 0 39 -3,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.896 85.4-127.1-120.3 154.5 58.5 -39.5 -6.6 59 60 A K H > S+ 0 0 127 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.840 112.5 56.2 -68.8 -28.6 60.5 -42.7 -6.6 60 61 A E H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 106.1 50.3 -64.6 -45.7 62.7 -41.2 -3.9 61 62 A G H > S+ 0 0 4 -6,-0.6 4,-2.4 1,-0.2 -5,-0.2 0.896 109.7 50.4 -58.6 -42.6 59.7 -40.7 -1.7 62 63 A C H X S+ 0 0 5 -4,-1.9 4,-2.5 -7,-0.3 -1,-0.2 0.900 108.9 51.7 -63.8 -40.4 58.5 -44.3 -2.2 63 64 A A H X S+ 0 0 58 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.902 110.7 49.3 -60.9 -41.8 62.0 -45.6 -1.3 64 65 A I H X S+ 0 0 93 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 112.0 47.2 -63.6 -46.0 61.9 -43.5 1.9 65 66 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.895 109.2 52.9 -66.5 -41.8 58.4 -44.8 2.9 66 67 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.929 113.6 44.1 -59.8 -43.2 59.3 -48.4 2.2 67 68 A E H X S+ 0 0 81 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.917 112.0 51.9 -68.6 -41.5 62.3 -48.2 4.5 68 69 A A H X S+ 0 0 14 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.869 107.8 54.0 -61.1 -37.1 60.4 -46.2 7.2 69 70 A T H X>S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-1.1 0.943 108.5 48.2 -61.7 -48.5 57.8 -49.0 7.1 70 71 A R H X5S+ 0 0 78 -4,-2.0 4,-0.7 3,-0.2 -2,-0.2 0.912 117.0 42.8 -57.9 -43.6 60.5 -51.6 7.7 71 72 A Q H <5S+ 0 0 141 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.901 122.9 34.9 -72.2 -41.5 62.0 -49.6 10.6 72 73 A R H <5S+ 0 0 78 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.878 132.1 25.0 -85.9 -38.9 58.8 -48.5 12.3 73 74 A L H <5S- 0 0 14 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.751 85.6-143.3 -96.6 -28.5 56.5 -51.5 11.8 74 75 A G S < - 0 0 16 53,-2.6 3,-1.6 1,-0.2 4,-0.3 -0.173 64.3 -34.5 79.0-170.5 39.4 -32.5 -22.6 93 94 A F G > S+ 0 0 156 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.831 132.5 57.5 -59.4 -35.8 42.0 -35.0 -23.8 94 95 A S G 3 S+ 0 0 95 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.636 98.9 60.4 -76.6 -10.4 43.8 -32.4 -26.0 95 96 A A G < S+ 0 0 48 -3,-1.6 2,-0.6 -4,-0.2 -1,-0.3 0.476 80.3 104.1 -92.6 -3.0 44.5 -30.1 -23.1 96 97 A L < - 0 0 20 -3,-1.4 2,-0.1 -4,-0.3 -6,-0.0 -0.698 59.2-158.4 -80.5 118.5 46.5 -32.8 -21.2 97 98 A S > - 0 0 50 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.323 35.4-100.5 -85.1 174.4 50.2 -32.1 -21.5 98 99 A D H > S+ 0 0 150 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.900 127.6 54.7 -58.5 -41.4 53.0 -34.6 -21.0 99 100 A D H > S+ 0 0 112 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 105.1 52.1 -56.7 -45.7 53.3 -33.2 -17.5 100 101 A D H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 111.2 46.4 -57.9 -48.2 49.6 -33.9 -16.8 101 102 A W H X S+ 0 0 94 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.939 113.7 48.2 -61.5 -46.5 50.0 -37.5 -17.9 102 103 A Y H X S+ 0 0 128 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.900 112.8 49.3 -58.7 -44.1 53.1 -38.0 -15.8 103 104 A N H X S+ 0 0 71 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.912 111.4 47.9 -62.9 -45.8 51.5 -36.4 -12.8 104 105 A E H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.906 115.8 43.9 -63.5 -43.2 48.3 -38.5 -13.0 105 106 A L H X>S+ 0 0 45 -4,-2.5 5,-2.7 -5,-0.2 4,-2.1 0.919 113.1 51.3 -68.2 -42.6 50.3 -41.7 -13.4 106 107 A S H <>S+ 0 0 2 -4,-2.6 5,-0.7 -5,-0.2 -1,-0.2 0.841 118.3 37.6 -62.3 -35.8 52.8 -40.9 -10.7 107 108 A L H <5S+ 0 0 35 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.888 127.0 30.7 -84.7 -44.0 50.1 -40.1 -8.2 108 109 A N H <5S+ 0 0 4 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.696 134.9 13.5 -95.8 -21.5 47.5 -42.7 -8.9 109 110 A L T X5S+ 0 0 20 -4,-2.1 4,-2.0 -5,-0.3 3,-0.3 0.753 115.0 56.3-118.3 -53.5 49.5 -45.6 -10.2 110 111 A F H > S+ 0 0 6 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.958 115.7 48.9 -60.0 -50.0 51.3 -48.3 -5.3 113 114 A V H X S+ 0 0 36 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.937 114.2 44.4 -55.3 -51.8 53.6 -50.1 -7.9 114 115 A R H X S+ 0 0 44 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.905 117.2 44.8 -62.9 -43.9 56.8 -48.8 -6.3 115 116 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 3,-0.4 0.945 113.0 50.4 -64.5 -50.2 55.6 -49.6 -2.7 116 117 A D H X S+ 0 0 3 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.896 105.1 57.6 -54.7 -44.6 54.2 -53.0 -3.6 117 118 A R H < S+ 0 0 167 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.878 115.6 36.9 -56.3 -38.2 57.5 -54.0 -5.4 118 119 A Q H < S+ 0 0 90 -4,-1.2 4,-0.3 -3,-0.4 -2,-0.2 0.876 128.2 29.8 -81.3 -40.0 59.4 -53.4 -2.1 119 120 A L H >X S+ 0 0 4 -4,-2.7 4,-1.2 2,-0.1 3,-0.6 0.819 105.0 65.8 -97.9 -36.5 56.9 -54.6 0.5 120 121 A V H 3X S+ 0 0 7 -4,-2.3 4,-2.8 -5,-0.3 3,-0.2 0.872 91.6 62.7 -62.0 -39.6 54.8 -57.4 -1.0 121 122 A P H 3> S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 104.0 50.0 -55.9 -36.0 57.6 -60.0 -1.5 122 123 A D H <> S+ 0 0 95 -3,-0.6 4,-1.9 -4,-0.3 -2,-0.2 0.873 110.1 50.2 -67.8 -36.5 58.2 -60.1 2.3 123 124 A X H X>S+ 0 0 2 -4,-1.2 4,-2.1 -3,-0.2 5,-1.4 0.912 110.5 50.2 -64.5 -42.7 54.5 -60.6 2.8 124 125 A V H <5S+ 0 0 34 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.896 108.0 53.2 -60.2 -40.8 54.6 -63.4 0.3 125 126 A A H <5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.891 111.1 45.9 -64.7 -39.0 57.6 -65.0 2.1 126 127 A R H <5S- 0 0 96 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.837 108.5-132.2 -70.0 -33.3 55.6 -64.9 5.3 127 128 A G T <5S+ 0 0 35 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.677 71.3 76.7 89.5 19.4 52.6 -66.3 3.5 128 129 A S < + 0 0 52 -5,-1.4 -1,-0.3 45,-0.1 45,-0.2 -0.987 48.9 90.5-153.9 158.9 50.0 -63.9 4.8 129 130 A G E - 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