==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAY-13 4BO8 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.CUKIER,R.SCHNELL,Y.LINDQVIST,G.SCHNEIDER . 952 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 761 79.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 85 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 377 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 0 0 0 4 0 0 4 4 4 4 0 0 0 0 0 0 0 0 2 1 1 2 2 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 12 8 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 3 1 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 Q 0 0 200 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.5 -9.7 17.2 -67.7 2 0 A S - 0 0 85 2,-0.1 216,-0.3 0, 0.0 217,-0.2 -0.927 360.0-103.4-165.1 172.1 -11.1 13.7 -67.1 3 1 A M + 0 0 42 -2,-0.3 2,-0.4 214,-0.1 213,-0.0 -0.133 62.4 149.5-102.8 32.4 -11.1 10.7 -64.7 4 2 A S - 0 0 60 1,-0.1 27,-0.2 27,-0.1 214,-0.1 -0.555 33.4-171.3 -75.7 126.8 -8.9 8.6 -67.0 5 3 A L > + 0 0 2 25,-3.7 3,-1.9 -2,-0.4 28,-0.3 0.025 33.8 149.1-102.2 24.5 -6.6 6.1 -65.4 6 4 A Q T 3 + 0 0 140 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.299 67.7 19.9 -55.2 136.5 -4.8 5.4 -68.6 7 5 A G T 3 S+ 0 0 71 24,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.328 100.4 113.6 84.8 -9.6 -1.2 4.5 -68.0 8 6 A K < - 0 0 55 -3,-1.9 25,-2.8 23,-0.2 2,-0.5 -0.766 58.4-141.1 -98.5 144.7 -1.8 3.5 -64.4 9 7 A V E -ab 33 85A 13 75,-0.5 78,-1.9 -2,-0.3 77,-1.6 -0.899 19.8-166.1-102.2 129.5 -1.4 0.0 -63.0 10 8 A A E -ab 34 87A 0 23,-3.0 25,-3.2 -2,-0.5 2,-0.5 -0.904 10.1-156.3-119.6 143.9 -4.0 -1.0 -60.4 11 9 A L E -ab 35 88A 0 76,-2.4 78,-2.9 -2,-0.4 2,-0.5 -0.977 10.3-174.9-121.3 119.0 -4.0 -4.0 -58.0 12 10 A V E -ab 36 89A 0 23,-2.6 25,-1.8 -2,-0.5 3,-0.3 -0.964 13.5-148.7-120.9 112.1 -7.3 -5.2 -56.7 13 11 A T E S+a 37 0A 0 76,-2.3 78,-0.2 -2,-0.5 25,-0.1 -0.587 78.4 19.8 -81.5 145.7 -7.3 -8.0 -54.1 14 12 A G S S+ 0 0 20 23,-0.6 6,-0.3 -2,-0.2 3,-0.3 0.973 76.7 150.7 64.9 57.9 -10.1 -10.5 -53.9 15 13 A A + 0 0 4 22,-2.5 23,-0.2 -3,-0.3 9,-0.1 0.324 36.4 95.0-105.3 5.6 -11.3 -9.8 -57.4 16 14 A S S S+ 0 0 31 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.690 95.4 1.0 -76.0 -17.2 -12.8 -13.2 -58.5 17 15 A R S >> S- 0 0 144 -3,-0.3 4,-1.7 162,-0.0 3,-0.5 -0.964 104.6 -0.9-157.4 170.6 -16.4 -12.2 -57.5 18 16 A G H 3> S+ 0 0 18 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.041 118.1 0.8 52.0-129.4 -18.8 -9.6 -56.1 19 17 A I H 3> S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.926 133.5 50.6 -61.6 -50.8 -17.4 -6.3 -55.1 20 18 A G H <> S+ 0 0 0 -3,-0.5 4,-2.5 -6,-0.3 -1,-0.2 0.887 111.3 49.0 -57.4 -42.3 -13.8 -6.9 -56.0 21 19 A Q H X S+ 0 0 50 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.948 111.0 49.9 -61.8 -47.8 -14.8 -8.1 -59.4 22 20 A A H X S+ 0 0 19 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.890 111.1 50.8 -60.8 -35.2 -17.0 -5.0 -59.9 23 21 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.923 107.7 51.8 -67.3 -44.4 -14.0 -2.8 -58.7 24 22 A A H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.911 112.4 46.1 -58.1 -44.1 -11.6 -4.5 -61.2 25 23 A L H X S+ 0 0 41 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.839 111.5 51.8 -68.8 -33.9 -14.0 -3.8 -64.1 26 24 A E H X S+ 0 0 14 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.941 111.0 45.8 -70.3 -44.9 -14.6 -0.3 -63.1 27 25 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 -1,-0.2 0.851 114.1 51.3 -65.5 -32.6 -10.9 0.6 -62.9 28 26 A G H ><5S+ 0 0 11 -4,-1.7 3,-2.7 -5,-0.3 -2,-0.2 0.951 105.2 54.5 -65.1 -47.5 -10.5 -1.2 -66.2 29 27 A R H 3<5S+ 0 0 126 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.828 104.8 55.8 -52.8 -34.7 -13.4 0.9 -67.6 30 28 A L T 3<5S- 0 0 19 -4,-1.6 -25,-3.7 -5,-0.1 -24,-0.4 0.398 127.6 -98.5 -82.5 1.0 -11.4 4.0 -66.6 31 29 A G T < 5S+ 0 0 18 -3,-2.7 -24,-0.6 1,-0.3 -23,-0.2 0.505 73.8 142.8 100.1 7.3 -8.4 2.9 -68.5 32 30 A A < - 0 0 4 -5,-2.4 2,-0.6 -26,-0.2 -1,-0.3 -0.492 56.2-120.6 -76.1 149.8 -6.2 1.3 -65.8 33 31 A V E -a 9 0A 34 -25,-2.8 -23,-3.0 -28,-0.3 2,-0.6 -0.846 42.3-148.4 -81.9 122.2 -4.1 -1.8 -66.4 34 32 A V E -ac 10 58A 0 23,-2.4 25,-2.1 -2,-0.6 2,-0.6 -0.845 26.3-174.2-113.1 120.0 -5.7 -4.1 -63.8 35 33 A I E -ac 11 59A 0 -25,-3.2 -23,-2.6 -2,-0.6 2,-0.3 -0.936 17.5-173.1-101.1 112.5 -4.1 -6.9 -61.8 36 34 A G E -ac 12 60A 0 23,-2.5 25,-2.0 -2,-0.6 2,-0.3 -0.754 7.3-152.5-101.4 153.2 -6.8 -8.7 -59.8 37 35 A T E +ac 13 61A 2 -25,-1.8 -22,-2.5 -2,-0.3 -23,-0.6 -0.940 19.2 172.1-132.0 157.0 -6.1 -11.4 -57.2 38 36 A A E - c 0 62A 8 23,-1.8 25,-2.7 -2,-0.3 6,-0.1 -0.911 41.0-113.9-148.3 170.4 -7.5 -14.5 -55.6 39 37 A T S S+ 0 0 110 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.639 94.2 53.5 -87.2 -13.9 -6.2 -17.1 -53.2 40 38 A S S > S- 0 0 50 21,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.793 80.2-121.4-121.1 161.5 -6.4 -20.0 -55.8 41 39 A A H > S+ 0 0 71 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.913 114.3 50.7 -67.3 -44.2 -5.2 -20.7 -59.3 42 40 A S H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.830 109.8 52.5 -64.3 -32.4 -8.7 -21.3 -60.7 43 41 A G H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 110.8 47.1 -64.8 -44.4 -9.8 -18.0 -59.1 44 42 A A H X S+ 0 0 8 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.889 111.4 50.6 -65.7 -42.6 -6.9 -16.2 -60.8 45 43 A E H X S+ 0 0 125 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.949 109.0 51.8 -58.2 -47.8 -7.7 -17.8 -64.1 46 44 A K H X S+ 0 0 73 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.860 105.2 55.4 -59.7 -39.6 -11.3 -16.7 -63.8 47 45 A I H X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.921 106.7 52.3 -56.3 -44.0 -10.2 -13.1 -63.1 48 46 A A H X S+ 0 0 43 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.872 107.6 50.0 -63.0 -39.7 -8.2 -13.2 -66.4 49 47 A E H X S+ 0 0 120 -4,-1.8 4,-3.6 1,-0.2 5,-0.2 0.968 109.7 51.3 -61.5 -51.5 -11.2 -14.5 -68.4 50 48 A T H X S+ 0 0 22 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.873 109.4 51.2 -54.2 -42.4 -13.4 -11.7 -67.0 51 49 A L H ><>S+ 0 0 6 -4,-2.1 5,-2.7 2,-0.2 3,-1.0 0.980 114.6 40.6 -61.1 -56.5 -10.8 -9.1 -67.9 52 50 A K H ><5S+ 0 0 181 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.928 111.4 59.1 -55.5 -45.1 -10.5 -10.2 -71.6 53 51 A A H 3<5S+ 0 0 79 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.748 114.2 36.6 -60.4 -24.8 -14.3 -10.7 -71.7 54 52 A N T <<5S- 0 0 99 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.106 117.8-108.9-112.0 22.0 -14.7 -7.0 -70.8 55 53 A G T < 5 + 0 0 74 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.797 66.4 149.3 62.5 33.4 -11.7 -5.8 -72.8 56 54 A V < - 0 0 17 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.855 44.0-135.2-104.7 126.9 -9.5 -4.9 -69.8 57 55 A E + 0 0 148 -2,-0.5 -23,-2.4 -25,-0.3 2,-0.3 -0.660 63.6 73.6 -76.8 128.9 -5.7 -5.2 -70.1 58 56 A G E -c 34 0A 27 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.3 -0.942 63.9 -99.9 168.3-145.3 -4.3 -6.9 -67.0 59 57 A A E -c 35 0A 29 -25,-2.1 -23,-2.5 -2,-0.3 2,-0.5 -0.990 13.9-120.0-165.0 160.0 -3.9 -10.2 -65.2 60 58 A G E -c 36 0A 20 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.961 34.4-177.3-107.6 132.0 -5.1 -12.6 -62.6 61 59 A L E -c 37 0A 37 -25,-2.0 -23,-1.8 -2,-0.5 2,-0.5 -0.911 30.3-116.6-123.8 159.8 -2.6 -13.6 -59.8 62 60 A V E +c 38 0A 74 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.815 44.8 166.6 -91.0 126.5 -2.5 -15.9 -56.9 63 61 A L - 0 0 4 -25,-2.7 2,-0.6 -2,-0.5 -49,-0.1 -0.983 29.0-167.7-147.3 129.6 -2.1 -13.9 -53.7 64 62 A D > - 0 0 67 -2,-0.3 3,-1.9 3,-0.2 7,-0.4 -0.927 9.5-164.8-112.8 103.2 -2.5 -14.6 -50.0 65 63 A V T 3 S+ 0 0 16 -2,-0.6 45,-0.2 1,-0.3 44,-0.1 0.586 81.6 70.8 -69.6 -4.9 -2.4 -11.2 -48.2 66 64 A S T 3 S+ 0 0 61 43,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.558 92.0 67.3 -84.6 -6.5 -1.8 -13.0 -44.8 67 65 A S <> - 0 0 38 -3,-1.9 4,-2.1 1,-0.1 -3,-0.2 -0.956 67.2-148.9-126.9 132.3 1.8 -14.0 -45.8 68 66 A D H > S+ 0 0 111 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.862 99.8 53.7 -62.8 -40.2 4.9 -11.9 -46.3 69 67 A E H > S+ 0 0 166 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.944 108.1 48.4 -62.0 -50.4 6.4 -14.2 -48.9 70 68 A S H > S+ 0 0 23 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.952 115.3 46.4 -54.4 -51.0 3.2 -14.3 -51.1 71 69 A V H X S+ 0 0 4 -4,-2.1 4,-2.6 -7,-0.4 5,-0.2 0.907 113.9 45.7 -59.3 -51.3 3.1 -10.5 -51.0 72 70 A A H X S+ 0 0 55 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.931 117.3 44.0 -60.2 -47.5 6.7 -9.9 -51.7 73 71 A A H X S+ 0 0 38 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.925 112.8 51.4 -64.7 -48.3 6.9 -12.4 -54.5 74 72 A T H X S+ 0 0 8 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.933 109.9 48.7 -55.5 -50.2 3.6 -11.2 -56.1 75 73 A L H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.881 110.2 53.0 -61.4 -37.6 4.6 -7.6 -56.1 76 74 A E H X S+ 0 0 108 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.958 106.5 51.7 -59.3 -52.7 7.9 -8.6 -57.7 77 75 A H H X S+ 0 0 108 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.893 111.9 47.6 -50.9 -43.5 6.1 -10.5 -60.5 78 76 A I H X>S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 5,-1.8 0.909 112.3 48.5 -66.8 -43.6 4.0 -7.4 -61.2 79 77 A Q H <5S+ 0 0 63 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.922 113.2 46.8 -63.6 -45.3 7.0 -5.1 -61.2 80 78 A Q H <5S+ 0 0 155 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.852 127.4 25.5 -65.7 -34.5 9.0 -7.3 -63.5 81 79 A H H <5S+ 0 0 166 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.923 135.3 12.8 -96.9 -55.8 6.1 -7.8 -66.0 82 80 A L T <5S- 0 0 71 -4,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.613 99.9-108.6-107.7 -13.5 3.5 -5.0 -65.9 83 81 A G < - 0 0 27 -5,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 -0.660 56.9 -30.1 112.2-171.1 5.1 -2.1 -64.0 84 82 A Q - 0 0 60 -2,-0.2 2,-0.7 -5,-0.1 -75,-0.5 -0.713 56.1-127.5 -90.4 126.5 4.5 -0.5 -60.5 85 83 A P E +b 9 0A 1 0, 0.0 -75,-0.2 0, 0.0 33,-0.2 -0.586 32.6 169.6 -73.0 112.5 1.0 -0.6 -59.1 86 84 A L E + 0 0 25 -77,-1.6 39,-2.8 -2,-0.7 2,-0.5 0.587 67.1 58.3-101.2 -13.6 0.1 2.9 -58.1 87 85 A I E +bd 10 125A 0 -78,-1.9 -76,-2.4 37,-0.2 2,-0.4 -0.984 68.6 177.8-113.5 128.9 -3.5 2.2 -57.4 88 86 A V E -bd 11 126A 0 37,-2.6 39,-2.8 -2,-0.5 2,-0.6 -0.977 11.1-172.3-138.5 122.9 -4.2 -0.5 -54.8 89 87 A V E -bd 12 127A 0 -78,-2.9 -76,-2.3 -2,-0.4 2,-0.9 -0.940 11.3-154.8-118.2 109.5 -7.5 -1.6 -53.5 90 88 A N E + d 0 128A 8 37,-1.9 39,-2.9 -2,-0.6 -76,-0.1 -0.749 39.4 138.9 -84.9 109.0 -7.5 -4.0 -50.6 91 89 A N + 0 0 35 -2,-0.9 2,-0.7 -78,-0.2 -1,-0.2 0.497 36.2 102.8-124.4 -15.1 -10.7 -6.0 -50.8 92 90 A A 0 0 35 -3,-0.2 -78,-0.1 1,-0.1 -79,-0.0 -0.635 360.0 360.0 -73.6 114.3 -9.6 -9.5 -49.8 93 91 A G 0 0 92 -2,-0.7 -1,-0.1 -79,-0.1 10,-0.1 -0.464 360.0 360.0 -74.5 360.0 -10.7 -10.1 -46.2 94 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 95 105 A E > 0 0 171 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -15.6 -14.1 -13.9 -32.7 96 106 A W H > + 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.923 360.0 52.3 -56.2 -44.6 -14.3 -10.1 -33.3 97 107 A F H > S+ 0 0 17 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.965 111.5 42.7 -63.1 -56.7 -10.8 -9.4 -32.0 98 108 A D H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.870 112.6 54.3 -55.9 -44.0 -9.0 -11.9 -34.2 99 109 A V H X S+ 0 0 46 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.972 115.6 38.4 -54.1 -55.7 -11.0 -11.1 -37.3 100 110 A V H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.923 115.8 51.2 -67.2 -44.4 -10.1 -7.4 -37.0 101 111 A N H X S+ 0 0 29 -4,-3.3 4,-1.6 -5,-0.3 -1,-0.2 0.905 113.5 45.9 -57.9 -41.8 -6.6 -7.9 -35.9 102 112 A T H X S+ 0 0 76 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.939 112.5 49.7 -67.7 -48.3 -5.9 -10.3 -38.8 103 113 A N H >X S+ 0 0 43 -4,-2.7 4,-2.4 -5,-0.3 3,-0.7 0.971 112.2 47.1 -54.4 -55.6 -7.5 -8.0 -41.4 104 114 A L H 3X S+ 0 0 30 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.799 108.3 55.2 -62.8 -30.7 -5.6 -4.9 -40.3 105 115 A N H 3X S+ 0 0 39 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.3 0.852 109.3 49.2 -65.1 -35.1 -2.3 -6.8 -40.2 106 116 A S H S+ 0 0 4 -4,-0.4 4,-1.4 -3,-0.2 -1,-0.2 0.896 113.5 46.1 -64.0 -43.3 6.6 2.1 -55.5 118 128 A M H X>S+ 0 0 0 -4,-1.5 5,-1.6 2,-0.2 4,-1.0 0.888 109.4 55.2 -69.5 -40.4 4.3 5.0 -54.8 119 129 A T H ><5S+ 0 0 25 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.931 107.9 50.0 -52.7 -50.2 6.9 6.9 -52.9 120 130 A K H 3<5S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 114.9 42.5 -60.0 -36.6 9.2 6.6 -55.9 121 131 A A H 3<5S- 0 0 53 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.519 101.9-133.9 -88.7 -7.7 6.5 7.9 -58.2 122 132 A R T <<5S+ 0 0 143 -4,-1.0 2,-0.3 -3,-0.8 -3,-0.2 0.878 78.1 79.3 51.7 42.5 5.4 10.6 -55.8 123 133 A W < + 0 0 48 -5,-1.6 2,-0.3 44,-0.0 44,-0.2 -0.905 51.6 145.7-168.5 147.0 1.7 9.6 -56.4 124 134 A G E - 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0 0 109 0, 0.0 4,-1.1 0, 0.0 3,-0.8 -0.172 29.7-107.4 -61.4 159.7 0.3 36.8 -44.8 912 197 D E H 3> S+ 0 0 77 1,-0.2 4,-6.4 2,-0.2 5,-0.5 0.498 98.7 71.9 -65.2 -35.0 2.3 33.7 -44.9 913 198 D A H 3> S+ 0 0 91 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.882 117.5 29.6 -59.2 -39.3 4.3 33.1 -41.6 914 199 D Q H <4 S+ 0 0 98 -3,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.813 124.4 48.8 -79.5 -39.7 1.1 32.3 -39.9 915 200 D R H >X S+ 0 0 40 -4,-1.1 3,-2.0 2,-0.2 4,-0.6 0.914 106.9 56.1 -65.9 -41.3 -0.6 31.0 -43.0 916 201 D E H >X S+ 0 0 110 -4,-6.4 4,-1.2 1,-0.3 3,-0.7 0.855 96.0 65.5 -62.5 -35.9 2.4 28.8 -43.8 917 202 D A H 3< S+ 0 0 47 -4,-0.7 4,-0.3 -5,-0.5 -1,-0.3 0.712 94.0 63.3 -50.6 -23.8 2.0 27.2 -40.3 918 203 D L H X4 S+ 0 0 18 -3,-2.0 3,-1.4 -4,-0.3 4,-0.4 0.891 94.8 55.7 -70.8 -41.3 -1.3 26.0 -41.8 919 204 D L H X< S+ 0 0 61 -3,-0.7 3,-1.3 -4,-0.6 6,-0.3 0.833 99.9 62.0 -60.4 -33.3 0.5 23.8 -44.4 920 205 D G T 3< S+ 0 0 71 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.690 101.5 52.2 -64.8 -20.9 2.3 22.1 -41.5 921 206 D Q T < S+ 0 0 116 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.508 97.9 77.6 -88.7 -8.9 -1.1 20.9 -40.2 922 207 D I X - 0 0 4 -3,-1.3 3,-2.8 -4,-0.4 36,-0.1 -0.904 68.7-152.8-111.5 111.5 -2.0 19.4 -43.6 923 208 D P T 3 S+ 0 0 27 0, 0.0 -757,-0.2 0, 0.0 35,-0.2 0.855 98.1 57.3 -51.7 -41.8 -0.4 16.0 -44.4 924 209 D L T 3 S- 0 0 22 33,-1.9 34,-0.1 2,-0.1 3,-0.1 0.645 105.5-135.1 -63.1 -14.4 -0.7 16.7 -48.2 925 210 D G < + 0 0 41 -3,-2.8 2,-0.3 -6,-0.3 -6,-0.1 0.694 68.9 76.8 71.2 21.3 1.3 19.8 -47.5 926 211 D R S S- 0 0 84 -7,-0.1 2,-0.2 31,-0.1 -1,-0.2 -0.977 82.3 -97.1-153.0 164.6 -0.9 22.1 -49.6 927 212 D L - 0 0 21 -2,-0.3 -25,-0.2 -3,-0.1 2,-0.2 -0.558 44.9-115.4 -78.7 148.9 -4.1 24.0 -49.8 928 213 D G B -d 902 0I 0 -27,-2.9 -25,-3.7 -2,-0.2 2,-0.3 -0.524 26.7-121.3 -83.5 155.0 -6.9 22.3 -51.7 929 214 D Q >> - 0 0 72 -27,-0.2 4,-0.9 -2,-0.2 3,-0.7 -0.684 15.1-122.4 -94.3 152.5 -8.3 23.8 -54.9 930 215 D A H >> S+ 0 0 8 -27,-0.4 4,-2.1 -2,-0.3 3,-1.0 0.905 114.5 58.9 -55.9 -42.4 -11.9 24.8 -55.4 931 216 D E H 3> S+ 0 0 107 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.827 98.1 59.9 -54.6 -33.7 -12.0 22.4 -58.3 932 217 D E H <> S+ 0 0 27 -3,-0.7 4,-0.6 1,-0.2 -1,-0.3 0.766 106.5 45.6 -75.2 -24.4 -11.1 19.6 -56.0 933 218 D I H < S+ 0 0 11 -4,-2.5 3,-1.6 1,-0.2 6,-0.5 0.928 109.7 53.5 -63.3 -47.2 -19.4 12.6 -58.4 940 225 D L H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 105.5 56.7 -60.3 -30.3 -22.1 12.7 -55.7 941 226 D A T 3< S+ 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.640 93.2 94.3 -73.9 -15.0 -24.5 14.1 -58.2 942 227 D S S X S- 0 0 1 -3,-1.6 3,-0.8 -4,-0.5 -220,-0.1 -0.249 86.7-116.2 -79.3 165.2 -24.0 11.1 -60.6 943 228 D D G > S+ 0 0 86 -220,-0.3 3,-1.7 -222,-0.3 4,-0.1 0.801 113.0 68.4 -66.6 -30.1 -26.0 7.9 -60.9 944 229 D G G 3 S+ 0 0 8 -223,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.799 95.4 53.7 -58.4 -31.7 -22.9 6.1 -59.7 945 230 D A G X S+ 0 0 0 -3,-0.8 3,-1.9 -6,-0.5 -1,-0.3 0.162 73.4 119.0 -88.6 19.3 -23.3 7.6 -56.3 946 231 D A T < S+ 0 0 20 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.782 73.5 48.6 -61.3 -29.5 -26.9 6.4 -55.9 947 232 D Y T 3 S+ 0 0 1 -3,-0.4 -715,-2.5 -4,-0.1 2,-0.7 0.412 91.0 94.0 -91.9 4.4 -26.2 4.2 -52.8 948 233 D V < + 0 0 2 -3,-1.9 2,-0.3 -718,-0.2 -718,-0.1 -0.860 51.6 145.6 -94.8 116.5 -24.3 7.0 -51.0 949 234 D T + 0 0 0 -2,-0.7 -716,-0.4 -720,-0.2 -718,-0.3 -0.995 54.9 19.1-152.8 147.5 -26.7 9.0 -48.7 950 235 D G S S+ 0 0 0 -56,-3.2 2,-0.3 -2,-0.3 -69,-0.2 0.661 90.9 135.2 69.3 18.5 -26.4 10.8 -45.3 951 236 D A - 0 0 0 -57,-0.4 -55,-2.6 -71,-0.1 2,-0.5 -0.727 48.1-153.1-101.0 147.6 -22.7 10.9 -45.8 952 237 D T E -c 896 0H 20 -2,-0.3 -55,-0.2 -57,-0.2 -75,-0.0 -0.957 14.0-154.9-119.6 110.6 -20.4 13.8 -45.2 953 238 D V E -c 897 0H 10 -57,-2.5 -55,-2.3 -2,-0.5 2,-0.3 -0.745 8.1-144.8 -90.7 115.0 -17.2 13.6 -47.3 954 239 D P E -c 898 0H 13 0, 0.0 2,-0.3 0, 0.0 -730,-0.1 -0.593 16.3-176.6 -80.5 138.1 -14.2 15.4 -45.9 955 240 D V E +c 899 0H 0 -57,-1.9 -55,-2.0 -2,-0.3 -732,-0.2 -0.701 40.2 120.9-134.8 75.5 -12.0 17.0 -48.5 956 241 D N S > S- 0 0 0 -734,-0.3 3,-1.7 -2,-0.3 -55,-0.3 0.192 79.5-108.9-135.2 11.6 -9.2 18.4 -46.3 957 242 D G T 3 S- 0 0 0 -735,-2.5 -33,-1.9 1,-0.3 -32,-0.2 0.633 84.4 -53.4 65.2 14.4 -5.9 16.9 -47.3 958 243 D G T 3 S+ 0 0 1 -734,-0.4 2,-0.8 -736,-0.3 -1,-0.3 0.431 103.3 130.4 98.4 2.4 -5.8 14.8 -44.1 959 244 D M < - 0 0 13 -3,-1.7 2,-0.5 -37,-0.1 -1,-0.3 -0.815 34.1-178.5 -88.6 108.5 -6.3 17.7 -41.7 960 245 D Y + 0 0 16 -2,-0.8 -489,-0.5 -3,-0.1 2,-0.4 -0.939 8.5 165.4-116.1 124.0 -9.2 16.6 -39.3 961 246 D M 0 0 31 -2,-0.5 -491,-0.1 -490,-0.2 -2,-0.0 -0.999 360.0 360.0-137.7 127.5 -10.5 18.8 -36.6 962 247 D S 0 0 49 -493,-0.4 -493,-0.2 -2,-0.4 -92,-0.1 -0.840 360.0 360.0-142.7 360.0 -13.8 18.4 -34.6