==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-MAR-09 3GK3 . COMPND 2 MOLECULE: ACETOACETYL-COA REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI 1710B; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 960 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 732 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 14.4 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 . 62 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 359 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 3.8 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 1 5 0 2 0 0 2 8 5 1 0 5 1 2 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 16 0 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 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 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 3 A A 0 0 155 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.7 5.6 33.2 32.9 2 4 A K - 0 0 126 1,-0.1 2,-0.4 25,-0.0 25,-0.1 -0.300 360.0-112.4 -73.0 147.3 6.2 29.5 33.4 3 5 A R - 0 0 70 23,-0.2 25,-1.4 78,-0.1 2,-0.5 -0.673 27.4-140.3 -82.0 136.8 7.0 27.0 30.6 4 6 A V E -a 28 0A 6 -2,-0.4 79,-2.0 23,-0.2 78,-1.4 -0.794 15.7-169.5-105.1 127.6 4.4 24.4 29.8 5 7 A A E -ab 29 83A 0 23,-2.8 25,-3.0 -2,-0.5 2,-0.4 -0.876 7.3-161.2-113.9 144.6 5.2 20.8 28.9 6 8 A F E -ab 30 84A 3 77,-2.1 79,-2.4 -2,-0.4 2,-0.6 -0.987 7.8-170.3-126.1 121.0 2.9 18.1 27.5 7 9 A V E > -ab 31 85A 0 23,-2.5 25,-2.1 -2,-0.4 3,-1.0 -0.944 12.4-147.7-116.2 115.3 4.0 14.5 27.9 8 10 A T T 3 S+ 0 0 2 77,-1.8 79,-0.3 -2,-0.6 25,-0.1 -0.588 91.5 21.9 -80.8 146.7 2.0 11.9 26.0 9 11 A G T > S+ 0 0 19 -2,-0.2 3,-2.4 78,-0.2 7,-0.3 0.794 85.2 165.0 64.7 26.4 1.9 8.6 27.9 10 12 A G T < + 0 0 0 -3,-1.0 9,-0.1 22,-0.9 -1,-0.1 0.311 63.2 52.2 -64.3 11.4 2.6 10.8 30.8 11 13 A M T 3 S+ 0 0 27 21,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.289 85.1 103.0-129.2 1.8 1.7 8.1 33.3 12 14 A G S <> S- 0 0 37 -3,-2.4 4,-3.8 1,-0.1 5,-0.5 -0.307 93.1 -91.6 -74.9 166.3 3.8 5.2 32.1 13 15 A G H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.962 130.1 27.4 -38.9 -64.5 7.0 4.2 33.8 14 16 A L H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 121.7 53.3 -71.2 -47.6 9.0 6.5 31.5 15 17 A G H > S+ 0 0 1 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.953 111.3 46.1 -50.4 -55.7 6.3 9.0 30.8 16 18 A A H X S+ 0 0 3 -4,-3.8 4,-2.3 -7,-0.3 5,-0.2 0.922 109.7 54.5 -57.3 -43.6 5.7 9.5 34.6 17 19 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 -5,-0.5 -1,-0.2 0.911 110.2 48.7 -53.7 -41.2 9.4 9.8 35.3 18 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.936 108.1 51.2 -66.7 -47.9 9.6 12.6 32.7 19 21 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.909 110.3 50.1 -59.0 -40.5 6.6 14.5 34.0 20 22 A R H X S+ 0 0 85 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.931 111.2 49.3 -63.0 -45.6 8.1 14.5 37.5 21 23 A R H < S+ 0 0 60 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.869 112.9 46.4 -62.0 -38.1 11.5 15.8 36.2 22 24 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.0 2,-0.2 3,-0.5 0.878 112.0 49.7 -74.7 -41.1 9.9 18.6 34.2 23 25 A H H ><5S+ 0 0 43 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.966 109.1 52.2 -58.6 -53.1 7.7 19.7 37.0 24 26 A D T 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.575 103.0 60.8 -62.6 -10.3 10.6 19.8 39.4 25 27 A A T < 5S- 0 0 68 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.581 129.9 -95.8 -91.5 -13.3 12.4 21.9 36.8 26 28 A G T < 5S+ 0 0 38 -3,-2.5 2,-0.3 -4,-0.4 -23,-0.2 0.414 79.9 135.0 120.1 7.1 9.7 24.6 37.1 27 29 A M < - 0 0 13 -5,-2.0 2,-0.4 -4,-0.1 -1,-0.3 -0.643 58.2-124.8 -87.4 138.0 7.4 23.6 34.3 28 30 A A E -a 4 0A 21 -25,-1.4 -23,-2.8 -2,-0.3 2,-0.5 -0.672 40.5-150.6 -67.7 134.2 3.7 23.4 34.4 29 31 A V E -a 5 0A 2 24,-0.5 26,-1.3 -2,-0.4 2,-0.4 -0.943 21.8-174.0-126.2 124.5 3.0 19.9 33.2 30 32 A A E -ac 6 55A 0 -25,-3.0 -23,-2.5 -2,-0.5 2,-0.3 -0.878 13.2-158.9-109.2 151.0 0.1 18.3 31.3 31 33 A V E -ac 7 56A 0 24,-2.4 26,-1.6 -2,-0.4 2,-0.3 -0.922 4.7-147.1-134.8 147.3 -0.0 14.6 30.7 32 34 A S E + c 0 57A 2 -25,-2.1 -22,-0.9 -2,-0.3 2,-0.3 -0.770 25.4 157.5-115.8 155.7 -1.9 12.5 28.1 33 35 A H E - c 0 58A 25 24,-1.8 26,-1.7 -2,-0.3 -25,-0.0 -0.973 42.3-141.6-161.6 167.3 -3.3 9.0 28.6 34 36 A S + 0 0 109 -2,-0.3 2,-0.2 24,-0.2 24,-0.1 -0.267 63.9 117.8-127.8 48.4 -5.8 6.5 27.4 35 37 A E S S- 0 0 34 1,-0.1 -2,-0.1 2,-0.0 2,-0.0 -0.735 70.2 -89.3-109.6 159.3 -6.7 5.0 30.9 36 38 A R > - 0 0 65 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.343 40.7-108.4 -69.0 149.7 -10.0 4.9 32.8 37 39 A N H > S+ 0 0 137 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.759 116.6 62.0 -46.2 -36.7 -10.8 7.8 35.2 38 40 A D H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.982 108.8 40.2 -50.3 -65.9 -10.2 5.5 38.2 39 41 A H H > S+ 0 0 107 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.933 118.4 48.8 -53.4 -48.3 -6.6 4.9 37.3 40 42 A V H X S+ 0 0 7 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.901 109.8 47.5 -63.1 -48.1 -6.1 8.5 36.3 41 43 A S H X S+ 0 0 63 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.903 114.0 49.0 -66.7 -37.8 -7.5 10.3 39.3 42 44 A T H X S+ 0 0 67 -4,-2.1 4,-2.3 -5,-0.3 5,-0.3 0.891 109.7 50.9 -64.7 -41.1 -5.6 8.0 41.7 43 45 A W H X S+ 0 0 26 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.970 110.9 50.1 -61.5 -49.9 -2.4 8.6 39.7 44 46 A L H X S+ 0 0 46 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.802 108.9 53.9 -51.3 -34.5 -3.1 12.3 40.1 45 47 A M H X S+ 0 0 45 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.959 107.3 46.4 -74.9 -53.6 -3.7 11.9 43.9 46 48 A H H < S+ 0 0 118 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.818 113.1 51.9 -53.5 -36.8 -0.4 10.2 44.7 47 49 A E H ><>S+ 0 0 11 -4,-1.8 5,-2.2 -5,-0.3 3,-0.7 0.891 110.2 47.7 -67.8 -38.5 1.4 12.8 42.7 48 50 A R H ><5S+ 0 0 55 -4,-1.6 3,-0.7 1,-0.3 -2,-0.2 0.801 106.4 58.6 -74.8 -26.8 -0.4 15.5 44.6 49 51 A D T 3<5S+ 0 0 130 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.652 105.9 51.2 -67.0 -19.6 0.5 13.6 47.8 50 52 A A T < 5S- 0 0 65 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.506 128.1 -99.1-101.1 -4.3 4.1 14.1 46.6 51 53 A G T < 5S+ 0 0 60 -3,-0.7 2,-0.4 -4,-0.3 -3,-0.2 0.752 85.2 120.5 91.8 27.8 3.7 17.8 46.1 52 54 A R < - 0 0 51 -5,-2.2 2,-0.7 -8,-0.1 -1,-0.3 -0.983 45.7-159.0-125.2 121.1 3.1 17.8 42.3 53 55 A D + 0 0 113 -2,-0.4 -24,-0.5 -5,-0.1 2,-0.3 -0.866 20.3 173.0 -94.3 108.7 -0.0 19.1 40.6 54 56 A F - 0 0 12 -2,-0.7 2,-0.4 -10,-0.2 -24,-0.2 -0.814 25.3-142.5-105.8 156.1 -0.5 17.6 37.1 55 57 A K E -c 30 0A 83 -26,-1.3 -24,-2.4 -2,-0.3 2,-0.3 -0.968 21.8-155.0-108.6 136.9 -3.5 18.0 34.7 56 58 A A E -c 31 0A 26 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.793 9.2-169.1-113.2 155.5 -4.3 14.8 32.7 57 59 A Y E -c 32 0A 11 -26,-1.6 -24,-1.8 -2,-0.3 2,-0.2 -0.996 20.9-124.1-147.9 131.9 -6.0 14.5 29.3 58 60 A A E +c 33 0A 67 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.593 41.6 153.2 -74.6 143.7 -7.5 11.6 27.3 59 61 A V - 0 0 12 -26,-1.7 2,-0.6 -2,-0.2 8,-0.1 -0.947 42.8-142.0-160.0 150.8 -6.1 11.2 23.8 60 62 A D > - 0 0 81 3,-0.3 3,-2.5 -2,-0.3 7,-0.3 -0.921 18.2-162.7-111.4 99.4 -5.6 8.5 21.2 61 63 A V T 3 S+ 0 0 9 -2,-0.6 56,-0.2 1,-0.3 57,-0.2 0.701 87.8 63.8 -57.9 -21.3 -2.3 9.6 19.7 62 64 A A T 3 S+ 0 0 28 1,-0.1 2,-0.5 55,-0.1 -1,-0.3 0.353 95.1 73.3 -77.4 4.6 -3.0 7.3 16.6 63 65 A D <> - 0 0 53 -3,-2.5 4,-2.3 1,-0.1 -3,-0.3 -0.947 66.2-157.6-130.8 112.9 -6.1 9.5 15.8 64 66 A F H > S+ 0 0 44 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.894 95.0 46.2 -58.6 -46.8 -5.6 13.0 14.3 65 67 A E H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 110.4 53.9 -62.9 -43.0 -9.0 14.3 15.5 66 68 A S H > S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.913 109.2 48.7 -54.5 -44.7 -8.6 12.9 19.0 67 69 A C H X S+ 0 0 4 -4,-2.3 4,-2.3 -7,-0.3 -1,-0.2 0.861 109.2 53.3 -68.5 -34.2 -5.3 14.8 19.2 68 70 A E H X S+ 0 0 83 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.891 111.8 44.6 -66.6 -37.4 -6.9 17.9 18.0 69 71 A R H X S+ 0 0 145 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.921 113.0 50.3 -69.3 -44.2 -9.6 17.6 20.7 70 72 A C H X S+ 0 0 4 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.930 109.2 53.2 -65.3 -38.5 -7.1 16.8 23.4 71 73 A A H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.823 102.0 55.7 -72.0 -36.0 -4.9 19.7 22.4 72 74 A E H X S+ 0 0 125 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.914 109.6 48.9 -57.1 -43.6 -7.7 22.4 22.6 73 75 A K H X S+ 0 0 129 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.932 111.5 47.8 -61.3 -47.0 -8.3 21.3 26.2 74 76 A V H X S+ 0 0 0 -4,-2.0 4,-3.6 1,-0.2 5,-0.3 0.953 116.4 44.9 -59.2 -44.6 -4.6 21.5 27.1 75 77 A L H X S+ 0 0 58 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.828 109.9 52.4 -74.0 -39.1 -4.4 24.9 25.4 76 78 A A H < S+ 0 0 82 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.908 117.5 42.2 -59.0 -43.1 -7.5 26.3 27.0 77 79 A D H < S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.982 130.5 20.4 -70.5 -56.2 -6.1 25.2 30.3 78 80 A F H < S- 0 0 32 -4,-3.6 2,-0.3 -5,-0.2 -3,-0.2 0.552 90.8-132.4 -99.5 -5.8 -2.5 26.2 30.1 79 81 A G S < S+ 0 0 57 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.1 0.029 76.6 12.5 80.2 -31.3 -2.7 28.8 27.3 80 82 A K - 0 0 53 -2,-0.3 2,-0.4 -6,-0.2 42,-0.0 -0.982 62.4-126.4-160.7 173.1 0.3 27.3 25.4 81 83 A V + 0 0 1 -2,-0.3 45,-0.2 41,-0.2 -76,-0.2 -0.897 25.2 166.7-131.5 107.3 2.7 24.4 25.0 82 84 A D S S+ 0 0 10 -78,-1.4 51,-1.4 -2,-0.4 2,-0.4 0.739 71.5 36.6 -85.6 -27.9 6.5 25.2 25.0 83 85 A V E -bd 5 133A 0 -79,-2.0 -77,-2.1 49,-0.2 2,-0.5 -0.997 65.2-169.7-135.1 123.1 7.8 21.7 25.4 84 86 A L E -bd 6 134A 0 49,-3.1 51,-2.6 -2,-0.4 2,-0.6 -0.976 2.9-169.2-120.7 128.5 6.4 18.5 23.8 85 87 A I E -bd 7 135A 0 -79,-2.4 -77,-1.8 -2,-0.5 2,-1.6 -0.897 9.7-156.9-116.9 101.5 7.6 15.0 24.7 86 88 A N E + d 0 136A 5 49,-2.0 51,-2.5 -2,-0.6 -79,-0.1 -0.591 43.0 136.5 -80.3 90.8 6.2 12.4 22.3 87 89 A N + 0 0 21 -2,-1.6 -1,-0.2 -79,-0.3 -78,-0.2 0.740 24.7 110.9-108.6 -34.4 6.5 9.5 24.6 88 90 A A + 0 0 19 -3,-0.3 2,-0.3 26,-0.1 49,-0.1 -0.073 44.5 132.1 -47.2 147.2 3.2 7.5 24.1 89 91 A G - 0 0 41 2,-0.0 2,-0.3 25,-0.0 18,-0.1 -0.978 32.8-153.0 176.2 163.5 3.7 4.1 22.4 90 92 A I - 0 0 51 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.929 9.5-135.6-148.3 178.4 3.1 0.4 22.2 91 93 A T - 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0 0 2 -4,-0.5 2,-0.3 -5,-0.4 -3,-0.1 0.050 25.7-129.5 85.2 156.2 34.7 14.8 7.4 867 148 D A > - 0 0 9 -220,-0.3 3,-1.7 -5,-0.1 7,-0.2 -0.961 13.5-109.1-154.4 133.6 36.2 18.2 6.5 868 149 D F T 3 S+ 0 0 139 -2,-0.3 -52,-0.1 1,-0.3 -216,-0.1 -0.264 104.5 19.1 -53.5 136.4 38.2 19.8 3.7 869 150 D G T 3 S+ 0 0 8 -218,-0.2 -54,-2.2 -55,-0.1 -1,-0.3 0.572 111.6 81.3 78.1 10.6 41.7 20.7 4.6 870 151 D Q <> + 0 0 19 -3,-1.7 4,-2.9 -56,-0.2 5,-0.4 0.017 30.5 139.1-146.6 39.0 41.7 18.3 7.7 871 152 D A H > S+ 0 0 0 -56,-0.4 4,-1.1 1,-0.2 -220,-0.1 0.840 86.1 48.7 -44.4 -41.8 42.4 14.7 6.9 872 153 D N H > S+ 0 0 0 -57,-0.2 4,-2.0 -59,-0.2 -1,-0.2 0.965 113.6 44.2 -65.2 -55.1 44.6 14.6 10.1 873 154 D Y H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.869 115.3 46.4 -55.8 -43.0 42.0 16.3 12.4 874 155 D A H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.784 113.0 51.0 -77.2 -26.9 39.1 14.2 11.2 875 156 D S H X S+ 0 0 0 -4,-1.1 4,-1.1 -5,-0.4 -1,-0.2 0.835 114.0 43.7 -74.6 -37.7 41.1 11.0 11.4 876 157 D A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.931 116.3 45.7 -73.8 -47.5 42.1 11.8 14.9 877 158 D K H X S+ 0 0 11 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.816 114.2 49.2 -68.7 -34.3 38.7 13.0 16.1 878 159 D A H X S+ 0 0 14 -4,-1.6 4,-0.7 -5,-0.2 3,-0.4 0.805 108.1 54.1 -69.8 -37.6 37.0 10.0 14.5 879 160 D G H >X S+ 0 0 0 -4,-1.1 4,-1.6 -236,-0.2 3,-0.7 0.831 95.4 69.0 -66.3 -32.6 39.5 7.7 16.1 880 161 D I H 3X S+ 0 0 0 -4,-1.7 4,-3.3 1,-0.3 -1,-0.2 0.874 95.6 54.3 -52.7 -37.9 38.6 9.1 19.5 881 162 D H H 3X S+ 0 0 17 -4,-0.6 4,-2.6 -3,-0.4 -1,-0.3 0.808 101.5 56.7 -72.7 -28.3 35.2 7.5 19.2 882 163 D G H <>S+ 0 0 1 -4,-1.4 3,-1.8 1,-0.1 5,-1.3 0.200 84.9 110.2 -97.9 10.1 34.8 -0.1 32.3 892 173 D A G > 5S+ 0 0 7 -4,-0.4 3,-0.7 -3,-0.4 -1,-0.1 0.908 80.1 41.6 -63.6 -48.9 31.1 -0.9 32.0 893 174 D K G 3 5S+ 0 0 147 -4,-0.3 -1,-0.3 1,-0.2 -691,-0.1 0.073 104.8 71.3 -85.0 28.2 30.7 -3.0 35.1 894 175 D R G < 5S- 0 0 86 -3,-1.8 -1,-0.2 2,-0.3 -2,-0.2 0.100 110.9-102.5-133.5 19.6 33.0 -0.6 37.2 895 176 D G T < 5S+ 0 0 39 -3,-0.7 -42,-1.6 1,-0.2 2,-0.4 0.654 83.3 123.3 75.1 13.1 30.8 2.5 37.6 896 177 D I E < -c 853 0J 1 -5,-1.3 2,-0.4 -44,-0.3 -2,-0.3 -0.898 43.8-161.2-110.7 135.9 32.7 4.4 34.9 897 178 D T E -c 854 0J 4 -44,-2.3 -42,-2.9 -2,-0.4 2,-0.4 -0.925 1.9-166.5-114.3 146.8 31.1 5.9 31.8 898 179 D V E +c 855 0J 0 -2,-0.4 57,-3.1 -44,-0.2 58,-0.3 -0.981 18.7 158.1-131.7 117.4 33.0 6.9 28.7 899 180 D N E -c 856 0J 0 -44,-2.2 -42,-2.5 -2,-0.4 2,-0.4 -0.934 32.5-131.7-136.7 163.9 31.4 9.1 26.0 900 181 D T E -cd 857 957J 1 56,-2.7 58,-2.6 -2,-0.3 2,-0.5 -0.890 12.9-156.7-108.9 143.4 32.4 11.4 23.2 901 182 D V E -cd 858 958J 0 -44,-2.1 -42,-2.4 -2,-0.4 58,-0.2 -0.992 7.2-160.2-118.2 125.0 30.8 14.9 22.8 902 183 D S E - d 0 959J 4 56,-2.5 58,-2.2 -2,-0.5 -42,-0.2 -0.859 10.0-165.0-110.3 99.0 31.0 16.2 19.2 903 184 D P E - d 0 960J 9 0, 0.0 -42,-2.2 0, 0.0 -41,-0.3 -0.475 7.3-147.2 -78.3 153.4 30.6 20.0 19.0 904 185 D G - 0 0 7 56,-1.7 2,-0.2 1,-0.2 58,-0.1 0.005 60.8 -31.4 -92.4-151.2 29.9 22.0 15.8 905 186 D Y - 0 0 59 56,-0.3 28,-2.7 18,-0.1 2,-0.3 -0.496 69.8-164.2 -76.2 131.3 31.2 25.5 15.3 906 187 D L B -e 933 0K 16 -2,-0.2 2,-1.6 26,-0.2 28,-0.2 -0.836 30.4-114.8-120.4 157.6 31.6 27.5 18.5 907 188 D A + 0 0 45 26,-1.8 2,-0.1 -2,-0.3 27,-0.1 -0.301 57.4 151.2 -88.4 50.6 32.0 31.1 19.4 908 189 D T > - 0 0 35 -2,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.341 64.1 -98.6 -73.9 166.7 35.5 30.7 20.8 909 190 D A H > S+ 0 0 88 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.895 123.1 55.5 -58.7 -42.2 37.9 33.7 20.6 910 191 D M H >> S+ 0 0 77 1,-0.2 3,-1.6 2,-0.2 4,-0.6 0.967 110.5 43.9 -48.0 -57.0 39.6 32.3 17.5 911 192 D V H >4 S+ 0 0 39 1,-0.3 3,-0.6 -5,-0.2 -1,-0.2 0.799 105.6 61.2 -68.3 -29.7 36.3 32.0 15.6 912 193 D E H 3< S+ 0 0 69 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.614 93.0 67.8 -71.2 -12.1 35.0 35.4 16.6 913 194 D A H << S+ 0 0 77 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.826 76.4 97.8 -76.6 -32.5 38.1 36.9 14.9 914 195 D V S << S- 0 0 55 -4,-0.6 5,-0.1 -3,-0.6 -3,-0.0 -0.421 92.7 -99.6 -55.1 119.5 36.7 35.9 11.5 915 196 D P >> - 0 0 71 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.073 26.1-117.4 -43.5 134.0 35.0 39.0 10.0 916 197 D Q H 3> S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.897 114.4 51.2 -38.3 -58.5 31.2 39.0 10.3 917 198 D D H 3> S+ 0 0 109 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.806 108.7 52.6 -57.2 -34.7 30.7 38.9 6.4 918 199 D V H <>>S+ 0 0 60 -3,-0.9 4,-3.4 2,-0.2 5,-0.6 0.919 111.2 43.6 -68.1 -47.6 33.0 35.9 6.1 919 200 D L H X>S+ 0 0 23 -4,-2.2 5,-3.0 1,-0.2 4,-1.2 0.906 112.5 53.0 -71.2 -28.7 31.2 33.8 8.7 920 201 D E H <5S+ 0 0 124 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.878 117.8 40.4 -66.5 -31.3 27.8 34.8 7.3 921 202 D A H <5S+ 0 0 75 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.936 134.2 14.0 -80.2 -48.7 29.2 33.7 3.9 922 203 D K H <5S+ 0 0 51 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.1 0.728 132.1 29.8-105.7 -27.3 31.1 30.5 4.8 923 204 D I T >X4 - 0 0 90 -2,-0.4 4,-1.2 -28,-0.2 3,-0.3 -0.438 11.7-129.7 -68.5 148.0 28.5 29.0 22.9 935 216 D P H > S+ 0 0 21 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.832 108.1 65.9 -67.3 -25.6 31.2 27.0 24.7 936 217 D D H > S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.902 98.2 51.8 -58.1 -41.5 29.0 27.4 27.8 937 218 D E H > S+ 0 0 2 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.915 110.8 46.8 -62.1 -44.8 26.3 25.2 26.1 938 219 D V H X S+ 0 0 1 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.898 112.7 50.4 -65.2 -41.8 28.7 22.5 25.3 939 220 D A H X S+ 0 0 1 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.892 107.7 54.2 -59.1 -40.7 30.0 22.8 28.9 940 221 D A H X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.974 108.6 47.6 -63.9 -49.3 26.4 22.5 30.1 941 222 D L H X S+ 0 0 3 -4,-2.7 4,-1.8 -719,-0.3 -1,-0.2 0.906 113.7 48.5 -52.7 -45.6 25.9 19.3 28.2 942 223 D I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.917 105.5 56.6 -65.1 -40.0 29.2 17.9 29.5 943 224 D A H < S+ 0 0 23 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.881 108.5 50.2 -57.0 -40.2 28.3 18.9 33.1 944 225 D F H >< S+ 0 0 23 -4,-2.0 3,-1.1 -5,-0.2 6,-0.3 0.888 108.0 50.8 -61.0 -45.2 25.2 16.8 32.7 945 226 D L H 3< S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.811 106.7 55.6 -67.0 -28.2 27.1 13.8 31.4 946 227 D C T 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.480 92.5 94.7 -82.9 -6.3 29.5 13.9 34.4 947 228 D S S X S- 0 0 33 -3,-1.1 3,-1.5 -4,-0.3 -3,-0.0 -0.415 89.0-111.8 -78.4 162.4 26.6 13.7 36.9 948 229 D D G > S+ 0 0 87 1,-0.3 3,-1.2 2,-0.1 -1,-0.1 0.703 113.9 71.4 -60.6 -28.9 25.2 10.6 38.6 949 230 D D G 3 S+ 0 0 49 1,-0.2 3,-0.3 -5,-0.1 -1,-0.3 0.681 93.8 55.1 -61.2 -19.4 22.1 11.1 36.6 950 231 D A G X + 0 0 0 -3,-1.5 3,-2.0 -6,-0.3 -1,-0.2 0.134 65.9 117.5-103.6 17.3 24.0 10.0 33.4 951 232 D G T < S+ 0 0 12 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.666 75.6 54.0 -61.3 -19.2 25.2 6.7 34.6 952 233 D F T 3 S+ 0 0 0 -3,-0.3 -717,-3.3 -745,-0.1 2,-0.9 0.365 88.6 90.4 -94.1 -3.3 23.2 4.9 31.8 953 234 D V < + 0 0 1 -3,-2.0 2,-0.3 -720,-0.2 -720,-0.1 -0.854 56.6 142.8 -90.7 100.8 24.8 7.0 29.1 954 235 D T + 0 0 2 -2,-0.9 -718,-0.3 -57,-0.1 -720,-0.2 -0.991 56.2 12.7-144.1 144.9 27.9 5.2 27.9 955 236 D G S S+ 0 0 0 -57,-3.1 -715,-0.5 -2,-0.3 2,-0.3 0.721 92.0 136.6 71.9 23.8 29.8 4.6 24.6 956 237 D A - 0 0 11 -58,-0.3 -56,-2.7 -717,-0.1 2,-0.6 -0.704 53.3-143.5-105.0 150.1 27.6 7.4 23.0 957 238 D D E -d 900 0J 49 -2,-0.3 2,-0.7 -58,-0.2 -56,-0.2 -0.974 19.5-158.1-108.7 112.9 28.6 10.2 20.8 958 239 D L E -d 901 0J 4 -58,-2.6 -56,-2.5 -2,-0.6 2,-0.6 -0.850 7.8-149.8 -97.3 117.8 26.5 13.2 21.7 959 240 D A E +d 902 0J 23 -2,-0.7 2,-0.4 -58,-0.2 -732,-0.2 -0.732 23.5 170.4 -96.9 122.9 26.2 15.6 18.9 960 241 D I E +d 903 0J 0 -58,-2.2 -56,-1.7 -2,-0.6 -734,-0.2 -0.707 30.6 127.0-131.0 82.9 25.8 19.3 19.7 961 242 D N S > S- 0 0 3 -2,-0.4 3,-1.7 -58,-0.3 -56,-0.3 0.155 77.6-105.2-132.7 13.2 26.3 21.0 16.4 962 243 D G T 3 S- 0 0 0 -737,-2.9 -33,-2.1 1,-0.3 -32,-0.2 0.670 80.3 -59.2 73.1 14.6 23.3 23.3 15.9 963 244 D G T 3 S+ 0 0 5 -738,-0.4 -1,-0.3 -736,-0.3 3,-0.1 0.376 103.8 129.7 88.9 -1.4 21.9 20.9 13.3 964 245 D M S < S+ 0 0 20 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.836 78.4 21.7 -51.3 -41.1 25.0 21.2 11.1 965 246 D H + 0 0 23 2,-0.0 2,-0.3 -480,-0.0 -2,-0.3 -1.000 65.6 166.9-138.6 138.6 25.2 17.4 10.9 966 247 D M 0 0 11 -2,-0.4 -737,-0.1 -3,-0.1 -738,-0.1 -0.925 360.0 360.0-138.8 153.1 22.6 14.7 11.4 967 248 D S 0 0 71 -739,-0.3 -803,-0.1 -2,-0.3 -482,-0.1 -0.905 360.0 360.0-153.6 360.0 22.8 10.9 10.6