==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JAN-11 3QIV . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE OR 3-OXOACYL-[ACYL-CARR . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM SUBSP. PARATUBERCU . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 394 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 80.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 17.0 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 . 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 . 28 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 0 1 2 2 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 2 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 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 1 A M > 0 0 153 0, 0.0 3,-1.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 50.4 -0.6 33.6 22.7 2 2 A R T 3 + 0 0 93 1,-0.2 27,-0.1 28,-0.0 23,-0.0 0.784 360.0 46.9 -62.9 -29.7 3.0 32.5 23.1 3 3 A F T > S+ 0 0 1 25,-1.5 3,-2.1 22,-0.2 -1,-0.2 -0.001 74.2 156.9-110.7 28.4 4.5 36.0 22.7 4 4 A E T < S+ 0 0 125 -3,-1.1 26,-0.2 1,-0.3 25,-0.1 -0.311 76.9 2.1 -59.5 129.3 2.2 38.0 25.0 5 5 A N T 3 S+ 0 0 136 24,-1.2 -1,-0.3 1,-0.2 2,-0.2 0.675 104.5 127.8 63.3 20.3 3.9 41.2 26.1 6 6 A K < - 0 0 61 -3,-2.1 25,-3.0 23,-0.2 2,-0.4 -0.598 52.8-136.6 -97.3 166.4 7.0 40.4 23.9 7 7 A V E +a 31 0A 5 23,-0.2 77,-2.7 -2,-0.2 78,-2.3 -0.983 23.0 178.5-131.8 121.6 8.5 42.7 21.4 8 8 A G E -ab 32 85A 0 23,-2.3 25,-2.6 -2,-0.4 2,-0.4 -0.952 16.6-154.2-127.8 140.6 9.7 41.6 17.9 9 9 A I E -ab 33 86A 0 76,-2.2 78,-2.9 -2,-0.4 2,-0.5 -0.945 9.6-170.0-109.4 131.6 11.2 43.4 14.9 10 10 A V E > -ab 34 87A 0 23,-2.3 25,-2.1 -2,-0.4 3,-0.7 -0.967 8.5-155.4-122.6 114.2 10.7 42.0 11.4 11 11 A T E 3 S+ab 35 88A 3 76,-2.5 78,-0.5 -2,-0.5 25,-0.2 -0.569 81.2 25.1 -82.7 153.5 12.8 43.5 8.6 12 12 A G T > S+ 0 0 13 23,-0.9 3,-0.6 -2,-0.2 6,-0.4 0.789 82.2 135.3 62.6 30.4 11.4 43.2 5.1 13 13 A S T < + 0 0 0 22,-1.9 23,-0.2 -3,-0.7 10,-0.1 0.313 35.7 95.6 -96.8 9.0 7.9 42.9 6.5 14 14 A G T 3 S- 0 0 14 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.582 102.4 -15.1 -70.6 -11.0 6.2 45.3 4.1 15 15 A G S X> S+ 0 0 31 -3,-0.6 4,-1.1 30,-0.0 3,-0.7 -0.977 105.2 30.1-173.3 177.2 5.2 42.3 2.0 16 16 A G H 3> S- 0 0 62 -2,-0.3 4,-1.5 1,-0.2 3,-0.5 -0.140 116.1 -19.0 59.9-147.9 5.7 38.6 1.3 17 17 A I H 3> S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.792 134.7 62.0 -67.2 -29.6 6.8 36.2 4.0 18 18 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -6,-0.4 -5,-0.3 0.896 102.8 50.5 -59.9 -42.5 8.1 39.0 6.2 19 19 A Q H X S+ 0 0 64 -4,-1.1 4,-2.9 -3,-0.5 -2,-0.2 0.918 109.6 50.5 -61.3 -44.3 4.5 40.4 6.4 20 20 A A H X S+ 0 0 32 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.845 110.2 50.4 -64.3 -35.0 3.2 36.9 7.4 21 21 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.947 112.4 46.9 -63.9 -49.6 5.9 36.7 10.1 22 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.954 114.9 45.8 -55.0 -53.8 4.9 40.2 11.4 23 23 A E H X S+ 0 0 53 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.870 111.3 51.8 -60.6 -42.0 1.2 39.4 11.4 24 24 A A H X S+ 0 0 3 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.919 109.3 50.2 -62.3 -44.4 1.7 36.0 13.0 25 25 A L H <>S+ 0 0 1 -4,-2.3 5,-2.1 1,-0.2 3,-0.4 0.918 113.1 45.7 -58.8 -46.8 3.7 37.5 15.9 26 26 A A H ><5S+ 0 0 9 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.843 107.0 59.0 -65.1 -36.8 1.1 40.1 16.5 27 27 A R H 3<5S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 106.6 49.4 -60.3 -30.7 -1.7 37.5 16.3 28 28 A E T 3<5S- 0 0 46 -4,-1.3 -25,-1.5 -3,-0.4 -1,-0.3 0.129 130.0 -90.9-101.6 18.9 0.1 35.7 19.2 29 29 A G T < 5S+ 0 0 28 -3,-1.5 -24,-1.2 1,-0.3 -3,-0.2 0.297 78.7 134.7 103.1 -6.7 0.3 38.8 21.4 30 30 A A < - 0 0 1 -5,-2.1 2,-0.6 -26,-0.2 25,-0.6 -0.458 59.1-120.5 -76.7 144.5 3.7 40.4 20.5 31 31 A A E -ac 7 55A 13 -25,-3.0 -23,-2.3 -28,-0.2 2,-0.4 -0.786 41.0-154.8 -75.3 118.4 4.2 44.1 19.9 32 32 A V E -ac 8 56A 0 23,-2.7 25,-1.8 -2,-0.6 2,-0.7 -0.857 17.5-152.3-109.4 131.3 5.6 44.0 16.3 33 33 A V E -ac 9 57A 0 -25,-2.6 -23,-2.3 -2,-0.4 2,-1.1 -0.900 15.3-150.6 -97.3 114.0 7.8 46.6 14.6 34 34 A V E -ac 10 58A 0 23,-3.6 25,-2.3 -2,-0.7 2,-0.5 -0.728 21.0-174.7 -90.4 95.8 7.1 46.4 10.9 35 35 A A E +ac 11 59A 0 -25,-2.1 -22,-1.9 -2,-1.1 -23,-0.9 -0.814 14.1 147.7-102.6 126.9 10.4 47.4 9.3 36 36 A D E - c 0 60A 25 23,-2.0 25,-1.4 -2,-0.5 6,-0.0 -0.988 55.8-124.0-152.1 154.1 10.8 47.9 5.6 37 37 A I S S+ 0 0 118 -2,-0.3 2,-0.8 23,-0.2 -1,-0.1 0.795 105.9 70.7 -66.2 -29.1 12.8 50.0 3.1 38 38 A N > - 0 0 83 1,-0.2 4,-1.9 21,-0.1 5,-0.1 -0.827 68.9-169.9 -91.1 109.7 9.3 50.9 1.8 39 39 A A H > S+ 0 0 55 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.900 82.7 50.7 -66.4 -44.6 7.6 53.1 4.3 40 40 A E H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 111.5 47.1 -65.2 -42.2 4.1 53.1 2.8 41 41 A A H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 113.0 49.9 -64.2 -45.1 4.0 49.3 2.5 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.891 111.3 48.6 -59.9 -42.7 5.2 48.9 6.1 43 43 A E H X S+ 0 0 101 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.905 108.6 54.7 -65.7 -40.3 2.6 51.4 7.4 44 44 A A H X S+ 0 0 63 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.913 111.1 43.9 -58.0 -45.7 -0.1 49.5 5.5 45 45 A V H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.909 113.9 50.5 -68.6 -41.7 0.8 46.2 7.2 46 46 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 108.5 53.0 -59.9 -41.0 1.1 47.9 10.6 47 47 A K H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.886 109.8 47.3 -64.5 -40.9 -2.3 49.6 10.2 48 48 A Q H X S+ 0 0 46 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.879 109.7 53.5 -67.6 -40.3 -4.1 46.2 9.4 49 49 A I H <>S+ 0 0 9 -4,-2.1 5,-2.5 2,-0.2 3,-0.2 0.929 111.9 45.2 -58.8 -45.7 -2.4 44.5 12.3 50 50 A V H ><5S+ 0 0 79 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.902 111.3 52.3 -65.5 -42.2 -3.7 47.3 14.6 51 51 A A H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.758 105.6 56.9 -63.4 -24.3 -7.2 47.1 13.0 52 52 A D T 3<5S- 0 0 148 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.396 130.1 -94.0 -88.7 2.3 -7.1 43.3 13.7 53 53 A G T < 5S+ 0 0 74 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.637 87.0 122.8 94.3 19.0 -6.6 43.9 17.4 54 54 A G < - 0 0 18 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.373 62.6-114.9-100.5-179.3 -2.8 43.6 17.4 55 55 A T E +c 31 0A 75 -25,-0.6 -23,-2.7 -2,-0.1 2,-0.3 -0.984 51.8 136.3-119.8 118.9 0.0 45.9 18.5 56 56 A A E -c 32 0A 11 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.989 29.3-170.3-159.3 149.0 2.3 47.2 15.8 57 57 A I E -c 33 0A 25 -25,-1.8 -23,-3.6 -2,-0.3 2,-0.3 -0.926 22.9-128.6-130.1 164.1 4.1 50.2 14.3 58 58 A S E -c 34 0A 17 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.812 22.6-177.8-108.8 151.3 6.0 50.7 11.0 59 59 A V E -c 35 0A 18 -25,-2.3 -23,-2.0 -2,-0.3 2,-0.4 -0.981 25.4-126.7-150.1 140.2 9.5 52.0 10.5 60 60 A A E +c 36 0A 60 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.730 36.7 174.5 -84.1 128.6 11.6 52.7 7.5 61 61 A V - 0 0 8 -25,-1.4 2,-0.7 -2,-0.4 -49,-0.1 -1.000 32.9-154.0-137.9 137.6 15.0 51.0 7.6 62 62 A D > - 0 0 59 -2,-0.4 3,-2.3 3,-0.2 7,-0.3 -0.912 16.4-164.9-103.1 100.8 17.9 50.6 5.2 63 63 A V T 3 S+ 0 0 8 -2,-0.7 59,-0.2 1,-0.3 60,-0.2 0.680 84.4 62.9 -61.9 -20.8 19.3 47.3 6.5 64 64 A S T 3 S+ 0 0 29 1,-0.1 -1,-0.3 58,-0.1 51,-0.0 0.578 92.9 75.5 -77.8 -10.1 22.6 47.9 4.6 65 65 A D S X> S- 0 0 67 -3,-2.3 4,-1.9 1,-0.1 3,-0.6 -0.913 70.5-154.4-109.8 112.0 23.2 51.0 6.7 66 66 A P H 3> S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.795 96.0 51.2 -54.2 -33.0 24.4 50.4 10.4 67 67 A E H 3> S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.818 106.7 52.0 -76.7 -34.3 22.9 53.7 11.5 68 68 A S H <> S+ 0 0 26 -3,-0.6 4,-1.7 -6,-0.3 -1,-0.2 0.850 110.8 49.5 -67.3 -35.6 19.5 53.1 10.0 69 69 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -7,-0.3 -2,-0.2 0.918 110.2 50.7 -66.2 -45.0 19.5 49.7 11.8 70 70 A K H X S+ 0 0 107 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.923 109.1 51.0 -56.0 -47.6 20.4 51.5 15.1 71 71 A A H X S+ 0 0 58 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.860 107.7 53.7 -60.1 -38.6 17.6 54.0 14.6 72 72 A M H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.927 111.0 46.0 -59.0 -46.9 15.2 51.1 14.0 73 73 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 112.1 49.7 -63.8 -45.8 16.3 49.5 17.4 74 74 A D H X S+ 0 0 88 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.847 109.4 52.6 -63.7 -36.1 16.1 52.9 19.3 75 75 A R H X S+ 0 0 105 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.893 107.9 51.4 -63.2 -42.7 12.6 53.5 17.9 76 76 A T H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 6,-0.5 0.914 111.0 48.2 -61.8 -44.9 11.5 50.0 19.1 77 77 A L H X S+ 0 0 68 -4,-2.2 4,-2.8 3,-0.2 -2,-0.2 0.947 113.5 46.7 -55.9 -53.1 12.9 50.8 22.6 78 78 A A H < S+ 0 0 86 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.861 120.1 39.3 -60.2 -38.5 11.1 54.2 22.7 79 79 A E H < S+ 0 0 95 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.853 135.0 14.5 -82.3 -37.7 7.8 52.7 21.5 80 80 A F H < S- 0 0 47 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.463 93.6-119.3-125.0 -4.2 7.7 49.4 23.3 81 81 A G S < S+ 0 0 57 -4,-2.8 2,-0.3 -5,-0.4 -4,-0.2 0.349 80.8 12.1 85.5 -5.0 10.4 49.5 26.1 82 82 A G - 0 0 3 -6,-0.5 2,-0.4 -9,-0.1 -2,-0.1 -0.981 66.5-114.1 179.5 176.8 12.5 46.6 25.0 83 83 A I + 0 0 0 -2,-0.3 51,-0.2 47,-0.3 -75,-0.2 -0.973 28.5 160.9-138.4 120.7 13.4 44.1 22.2 84 84 A D + 0 0 10 -77,-2.7 54,-1.9 -2,-0.4 2,-0.3 0.768 66.5 28.4-102.2 -38.8 13.0 40.3 22.5 85 85 A Y E -bd 8 138A 10 -78,-2.3 -76,-2.2 52,-0.2 2,-0.4 -0.932 50.9-171.0-134.3 149.2 13.1 39.1 18.9 86 86 A L E -bd 9 139A 0 52,-1.6 54,-2.2 -2,-0.3 2,-0.6 -0.985 4.6-166.7-138.9 126.3 14.5 40.0 15.5 87 87 A V E -bd 10 140A 1 -78,-2.9 -76,-2.5 -2,-0.4 2,-1.3 -0.963 10.8-155.2-112.5 110.8 13.7 38.4 12.2 88 88 A N E +bd 11 141A 9 52,-3.0 54,-2.5 -2,-0.6 32,-0.1 -0.699 43.3 136.1 -86.1 87.7 16.2 39.4 9.5 89 89 A N + 0 0 20 -2,-1.3 -77,-0.2 -78,-0.5 -1,-0.2 0.562 25.6 120.8-109.3 -15.1 14.0 38.9 6.4 90 90 A A + 0 0 27 -3,-0.3 2,-0.3 -72,-0.1 54,-0.1 -0.262 38.1 156.1 -52.8 133.3 14.9 42.1 4.4 91 91 A A - 0 0 57 53,-0.1 2,-0.6 28,-0.1 21,-0.1 -0.991 44.7-121.9-158.7 155.4 16.4 41.2 1.0 92 92 A I - 0 0 55 20,-0.3 2,-0.8 -2,-0.3 24,-0.1 -0.932 25.0-148.6-101.8 119.8 17.0 42.4 -2.5 93 93 A F + 0 0 100 -2,-0.6 -2,-0.0 1,-0.2 19,-0.0 -0.823 30.4 159.2 -91.1 110.8 15.4 40.1 -5.1 94 94 A G > + 0 0 14 -2,-0.8 3,-1.7 1,-0.1 2,-0.2 0.795 9.0 166.5-102.3 -39.4 17.6 40.3 -8.2 95 95 A G G > S+ 0 0 65 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 -0.363 73.1 5.7 61.9-120.8 16.8 37.1 -10.2 96 96 A M G > S+ 0 0 147 1,-0.2 3,-1.6 -2,-0.2 -1,-0.3 0.616 113.8 80.8 -75.7 -13.0 18.1 37.2 -13.7 97 97 A K G X S+ 0 0 116 -3,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.889 86.9 58.8 -58.1 -39.0 20.0 40.5 -13.3 98 98 A L G < S+ 0 0 37 -3,-0.8 3,-0.4 1,-0.3 -1,-0.3 0.497 88.5 74.1 -73.2 -2.5 22.9 38.6 -11.6 99 99 A D G < S+ 0 0 106 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.452 95.9 53.2 -81.3 -0.7 23.3 36.6 -14.8 100 100 A F X> + 0 0 126 -3,-1.7 4,-1.5 1,-0.1 3,-1.0 -0.415 61.1 150.5-133.5 57.4 24.9 39.7 -16.3 101 101 A L T 34 + 0 0 99 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.766 68.3 64.4 -62.8 -30.0 27.6 40.7 -13.9 102 102 A L T 34 S+ 0 0 183 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.831 119.6 22.2 -62.5 -32.9 29.8 42.2 -16.7 103 103 A T T <4 S+ 0 0 120 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.432 90.1 125.1-117.0 -3.4 27.1 44.9 -17.4 104 104 A I S < S- 0 0 30 -4,-1.5 -6,-0.0 1,-0.1 -3,-0.0 -0.255 74.6 -95.9 -59.8 143.3 25.1 45.1 -14.1 105 105 A D > - 0 0 93 1,-0.1 4,-2.4 2,-0.1 5,-0.2 -0.453 30.9-138.1 -61.0 127.0 24.9 48.5 -12.5 106 106 A P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.886 100.9 49.2 -56.7 -44.1 27.6 48.8 -9.9 107 107 A E H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.872 111.1 50.4 -66.7 -37.0 25.4 50.5 -7.2 108 108 A Y H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.937 112.0 47.8 -61.3 -47.8 22.7 47.9 -7.7 109 109 A Y H X S+ 0 0 83 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.902 112.1 48.9 -61.1 -43.7 25.2 45.1 -7.3 110 110 A K H X S+ 0 0 131 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.892 113.3 46.7 -63.3 -41.1 26.7 46.7 -4.2 111 111 A K H X S+ 0 0 42 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.901 111.8 51.7 -69.3 -41.7 23.3 47.2 -2.6 112 112 A F H X S+ 0 0 35 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