==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXO-ACID-LYASE 07-MAY-90 4CSC . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.KARPUSAS,D.HOLLAND,S.J.REMINGTON . 429 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 49.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 1 1 1 1 2 2 2 1 3 2 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.9 9.3 1.0 -42.5 2 2 A S - 0 0 131 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.256 360.0-120.4 86.7 153.2 9.4 2.7 -39.1 3 3 A S - 0 0 113 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.193 59.4 -36.1-107.1-165.9 11.8 3.6 -36.2 4 4 A T + 0 0 40 -2,-0.1 2,-0.2 101,-0.1 -1,-0.1 -0.378 52.7 156.2 -74.2 140.7 11.6 2.6 -32.3 5 5 A N >> - 0 0 63 -2,-0.2 4,-1.7 1,-0.1 3,-1.1 -0.734 26.2-162.5-164.9 104.6 8.5 2.1 -30.1 6 6 A L H 3> S+ 0 0 0 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.833 94.4 60.0 -54.2 -34.7 8.3 0.0 -27.0 7 7 A K H 3> S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.877 103.5 50.1 -66.6 -33.3 4.6 0.0 -27.1 8 8 A D H <> S+ 0 0 112 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.858 109.9 50.4 -67.0 -42.4 4.6 -1.6 -30.6 9 9 A V H >X S+ 0 0 50 -4,-1.7 4,-2.3 1,-0.2 3,-1.0 0.981 110.5 49.9 -60.6 -52.7 7.0 -4.3 -29.4 10 10 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.3 -2,-0.2 0.808 105.3 56.1 -51.9 -48.6 4.7 -5.0 -26.4 11 11 A A H 3< S+ 0 0 51 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.781 111.3 46.0 -54.7 -32.9 1.6 -5.3 -28.5 12 12 A A H X S+ 0 0 40 -4,-2.3 4,-1.9 1,-0.2 3,-0.7 0.850 101.2 68.5 -57.3 -54.6 4.6 -9.7 -27.2 14 14 A I H 3X S+ 0 0 7 -4,-3.2 4,-2.4 1,-0.3 -1,-0.2 0.833 99.2 45.4 -42.3 -58.1 1.2 -9.6 -25.2 15 15 A P H 3> S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.853 112.1 52.1 -61.6 -35.6 -0.9 -12.1 -27.3 16 16 A K H < S+ 0 0 80 -4,-1.1 3,-1.5 -5,-0.1 -3,-0.2 0.391 76.1 111.7-133.2 5.5 -1.3 -27.7 -15.0 29 29 A G T 3< S+ 0 0 58 -4,-2.5 -3,-0.1 1,-0.3 -4,-0.1 0.781 88.0 49.5 -50.1 -31.2 -3.6 -25.3 -13.2 30 30 A G T 3 S+ 0 0 82 -5,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.608 82.9 119.0 -87.2 -14.3 -4.4 -28.1 -10.8 31 31 A T < - 0 0 71 -3,-1.5 2,-0.3 1,-0.1 -3,-0.1 -0.331 67.1-125.7 -60.6 130.9 -0.9 -29.0 -10.1 32 32 A A + 0 0 89 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.592 29.7 176.2 -77.1 126.3 0.1 -28.7 -6.5 33 33 A L - 0 0 117 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.373 62.3 -30.8-112.3 -7.3 3.2 -26.4 -6.2 34 34 A G - 0 0 60 14,-0.1 -1,-0.4 2,-0.0 2,-0.3 -0.950 54.0-106.8 169.9 171.1 3.2 -26.5 -2.5 35 35 A Q - 0 0 167 -2,-0.3 2,-0.4 -3,-0.1 14,-0.2 -0.807 23.0-134.9-116.6 162.6 1.7 -26.7 0.8 36 36 A I - 0 0 110 -2,-0.3 2,-0.2 12,-0.1 11,-0.0 -0.931 19.8-164.3-119.9 139.9 1.1 -24.2 3.5 37 37 A T > - 0 0 73 -2,-0.4 4,-1.1 1,-0.1 3,-0.1 -0.716 35.1-105.5-116.7 172.4 1.7 -24.7 7.2 38 38 A V H >> S+ 0 0 80 -2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.928 120.2 53.6 -63.6 -44.7 0.7 -23.0 10.5 39 39 A D H 3> S+ 0 0 128 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.812 105.7 52.6 -59.6 -37.9 4.2 -21.6 10.8 40 40 A M H 34>S+ 0 0 32 2,-0.2 5,-2.3 1,-0.2 6,-0.5 0.793 109.9 49.0 -65.7 -36.5 4.0 -20.0 7.3 41 41 A S H X<5S+ 0 0 76 -4,-1.1 3,-0.6 -3,-0.6 -2,-0.2 0.880 118.2 38.7 -74.2 -35.3 0.8 -18.3 8.1 42 42 A Y H 3<5S+ 0 0 128 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.664 113.8 62.0 -81.8 -20.7 2.1 -17.0 11.4 43 43 A G T ><5S- 0 0 30 -4,-1.3 3,-0.6 -5,-0.3 -1,-0.2 0.002 119.5 -93.1-102.8 28.2 5.4 -16.3 9.7 44 44 A G T < 5S- 0 0 53 -3,-0.6 -3,-0.2 1,-0.2 3,-0.2 0.859 76.7 -65.3 67.3 38.6 4.6 -13.7 7.0 45 45 A M T > -A 63 0A 59 4,-1.5 4,-2.8 -2,-0.6 261,-0.1 -0.876 15.2-139.0 -97.6 125.7 17.6 -17.1 -6.1 60 60 A P T 4 S+ 0 0 53 0, 0.0 262,-2.5 0, 0.0 263,-0.4 0.714 101.7 18.7 -50.1 -36.0 18.2 -17.8 -2.5 61 61 A D T 4 S+ 0 0 81 260,-0.2 260,-0.0 2,-0.1 -2,-0.0 0.664 130.9 43.1-108.8 -35.0 21.8 -18.6 -3.1 62 62 A E T 4 S- 0 0 111 1,-0.2 2,-0.1 263,-0.0 259,-0.0 0.766 98.4-139.2 -83.4 -29.6 22.6 -17.0 -6.4 63 63 A G E < -A 59 0A 0 -4,-2.8 -4,-1.5 262,-0.1 -1,-0.2 -0.425 46.3 -9.0 97.4-173.1 20.7 -13.7 -5.9 64 64 A I E -A 58 0A 5 -6,-0.2 7,-0.5 -2,-0.1 2,-0.4 -0.198 53.2-162.6 -62.9 143.6 18.5 -11.7 -8.2 65 65 A R E -A 57 0A 79 -8,-1.8 -8,-2.1 1,-0.2 5,-0.2 -0.994 11.9-162.5-127.5 139.0 18.1 -12.3 -12.0 66 66 A F S S- 0 0 8 3,-2.8 -1,-0.2 -2,-0.4 4,-0.1 0.930 90.2 -19.9 -85.4 -64.3 16.7 -10.0 -14.5 67 67 A R S S- 0 0 151 3,-0.1 -10,-0.2 -11,-0.1 -2,-0.1 0.520 124.1 -55.3 -84.2 -82.4 15.8 -12.3 -17.4 68 68 A G S S+ 0 0 42 -3,-0.1 2,-0.5 -12,-0.1 -12,-0.0 -0.026 115.2 130.9-123.7 8.6 18.0 -14.9 -16.3 69 69 A F - 0 0 24 4,-0.1 -3,-2.8 3,-0.0 2,-0.1 -0.568 49.4-146.0 -78.8 119.9 20.6 -12.1 -16.4 70 70 A S > - 0 0 17 -2,-0.5 4,-2.7 -5,-0.2 5,-0.2 -0.376 30.9-103.1 -71.1 165.4 22.7 -11.7 -13.3 71 71 A I H > S+ 0 0 10 -7,-0.5 4,-2.8 2,-0.2 5,-0.1 0.922 125.6 51.2 -54.5 -46.3 23.9 -8.3 -12.2 72 72 A P H > S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.940 109.3 51.0 -59.8 -41.4 27.3 -9.2 -13.6 73 73 A E H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.891 111.5 46.6 -60.9 -40.9 25.7 -10.1 -16.8 74 74 A C H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.897 104.7 63.8 -63.8 -42.0 23.8 -6.8 -17.0 75 75 A Q H < S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.936 115.3 29.1 -49.3 -47.4 27.0 -5.1 -16.1 76 76 A K H < S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 123.4 47.4 -85.1 -29.3 28.5 -6.3 -19.3 77 77 A L H < S+ 0 0 76 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.731 91.0 80.1 -87.2 -33.6 25.4 -6.5 -21.5 78 78 A L S < S- 0 0 3 -4,-2.8 2,-0.1 -5,-0.2 25,-0.1 -0.530 88.2 -97.7 -77.6 146.4 23.5 -3.3 -21.0 79 79 A P - 0 0 28 0, 0.0 9,-2.5 0, 0.0 12,-0.3 -0.408 35.2-145.1 -66.4 140.0 24.5 -0.1 -22.8 80 80 A K B -B 87 0B 63 7,-0.2 -5,-0.0 2,-0.2 5,-0.0 -0.625 26.5-105.5-100.9 162.1 26.6 2.4 -21.0 81 81 A G 0 0 40 5,-0.8 -1,-0.0 -2,-0.2 127,-0.0 0.665 360.0 360.0 -63.3 -22.7 26.4 6.2 -21.3 82 82 A G 0 0 96 0, 0.0 -2,-0.2 0, 0.0 0, 0.0 -0.254 360.0 360.0-163.6 360.0 29.7 6.4 -23.3 83 ! 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 84 84 A G 0 0 60 0, 0.0 -4,-0.1 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 24.0 30.9 5.4 -19.4 85 85 A G + 0 0 33 -6,-0.1 -5,-0.0 2,-0.1 141,-0.0 0.465 360.0 85.2-130.8 -14.7 31.1 2.0 -17.6 86 86 A E S S- 0 0 24 1,-0.1 -5,-0.8 -10,-0.0 144,-0.1 -0.801 81.0-107.5-101.2 140.3 27.9 1.6 -15.8 87 87 A P B -B 80 0B 2 0, 0.0 -7,-0.2 0, 0.0 146,-0.2 -0.292 32.8-114.4 -59.4 140.9 24.7 0.3 -17.3 88 88 A L >> - 0 0 14 -9,-2.5 4,-1.6 1,-0.1 3,-0.8 -0.607 11.1-140.0 -79.6 125.5 21.8 2.7 -18.1 89 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.864 104.8 66.8 -55.9 -27.1 18.7 2.0 -16.0 90 90 A E H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.905 100.1 46.0 -52.0 -50.8 16.9 2.8 -19.3 91 91 A G H <> S+ 0 0 0 -3,-0.8 4,-2.4 -12,-0.3 -1,-0.2 0.887 111.0 53.0 -63.3 -42.3 18.4 -0.4 -20.8 92 92 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.914 107.4 52.0 -55.8 -48.3 17.4 -2.3 -17.7 93 93 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.899 109.2 48.7 -57.9 -45.7 13.9 -1.1 -18.1 94 94 A W H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 6,-0.4 0.907 111.4 52.3 -58.3 -45.4 13.7 -2.2 -21.6 95 95 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 110.1 46.7 -58.3 -45.2 15.1 -5.5 -20.5 96 96 A L H < S+ 0 0 9 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.869 115.4 44.7 -63.8 -44.7 12.5 -5.9 -17.8 97 97 A V H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.888 127.6 25.5 -68.4 -43.0 9.6 -5.0 -20.0 98 98 A T H < S- 0 0 6 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.444 91.3-124.5-103.4 -17.3 10.5 -7.0 -23.0 99 99 A G S < S+ 0 0 27 -4,-2.3 2,-0.3 1,-0.2 -4,-0.1 0.297 79.1 107.5 80.5 -12.4 12.7 -10.0 -21.9 100 100 A Q S S- 0 0 108 -6,-0.4 -2,-0.3 -5,-0.1 -1,-0.2 -0.747 77.2-115.7-109.8 156.2 15.3 -8.7 -24.3 101 101 A I - 0 0 50 -2,-0.3 -9,-0.1 -3,-0.1 2,-0.1 -0.671 42.6-134.2 -77.2 115.5 18.7 -6.9 -24.2 102 102 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.353 7.9-122.0 -75.0 157.4 18.1 -3.5 -25.8 103 103 A T > - 0 0 75 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.463 32.4-105.2 -89.4 166.0 20.4 -1.9 -28.4 104 104 A G H > S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.949 125.1 54.6 -58.0 -40.8 21.9 1.5 -27.8 105 105 A A H > S+ 0 0 68 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.867 107.3 48.7 -63.3 -31.4 19.4 2.9 -30.2 106 106 A Q H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.873 112.5 50.7 -66.2 -44.4 16.6 1.4 -28.2 107 107 A V H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.883 102.1 56.8 -63.8 -40.4 18.1 2.8 -25.2 108 108 A S H X S+ 0 0 72 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.864 103.8 58.5 -57.3 -34.7 18.4 6.3 -26.5 109 109 A W H X S+ 0 0 30 -4,-1.2 4,-3.3 2,-0.2 5,-0.3 0.934 101.8 50.4 -64.4 -47.8 14.7 6.2 -27.1 110 110 A L H X S+ 0 0 0 -4,-1.4 4,-3.6 1,-0.2 5,-0.3 0.962 112.2 50.9 -55.4 -45.9 13.7 5.5 -23.5 111 111 A S H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.952 113.1 42.7 -52.0 -62.5 15.9 8.4 -22.6 112 112 A K H X S+ 0 0 116 -4,-3.0 4,-3.5 1,-0.2 -2,-0.2 0.935 116.0 50.3 -48.6 -48.3 14.2 10.8 -25.2 113 113 A E H X S+ 0 0 26 -4,-3.3 4,-1.4 1,-0.3 -2,-0.2 0.903 112.5 44.8 -56.5 -50.5 10.8 9.5 -24.2 114 114 A W H X S+ 0 0 1 -4,-3.6 4,-0.7 -5,-0.3 -1,-0.3 0.843 111.8 54.2 -69.9 -27.9 11.4 10.0 -20.5 115 115 A A H >< S+ 0 0 13 -4,-2.7 3,-1.0 -5,-0.3 -2,-0.2 0.975 109.3 48.2 -68.4 -42.8 12.9 13.4 -21.3 116 116 A K H 3< S+ 0 0 151 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.740 110.3 51.7 -62.2 -31.8 9.7 14.3 -23.2 117 117 A R H 3< S+ 0 0 40 -4,-1.4 2,-1.1 -5,-0.2 -1,-0.2 0.551 77.3 112.1 -84.6 -15.7 7.3 13.1 -20.4 118 118 A A << + 0 0 24 -3,-1.0 2,-0.4 -4,-0.7 85,-0.2 -0.571 38.2 132.9 -75.4 94.3 8.9 15.0 -17.5 119 119 A A - 0 0 57 -2,-1.1 62,-0.1 58,-0.2 65,-0.0 -1.000 39.4-149.6-146.7 133.3 6.4 17.6 -16.4 120 120 A L - 0 0 45 -2,-0.4 2,-0.4 64,-0.0 -2,-0.0 -0.810 19.1-127.0-107.3 140.1 5.1 18.5 -13.0 121 121 A P >> - 0 0 17 0, 0.0 4,-1.7 0, 0.0 3,-1.7 -0.731 19.8-116.4 -92.3 150.2 1.8 19.9 -12.4 122 122 A S H 3> S+ 0 0 96 -2,-0.4 4,-1.9 1,-0.3 5,-0.2 0.766 110.8 53.1 -45.1 -50.0 1.1 23.0 -10.5 123 123 A H H 3> S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.843 110.7 50.3 -60.7 -31.5 -0.8 21.6 -7.6 124 124 A V H <> S+ 0 0 0 -3,-1.7 4,-2.2 2,-0.2 3,-0.4 0.953 107.5 48.9 -72.7 -48.0 2.0 19.2 -7.0 125 125 A V H X S+ 0 0 42 -4,-1.7 4,-2.6 1,-0.3 -2,-0.2 0.875 111.2 56.6 -55.4 -34.9 4.9 21.8 -7.0 126 126 A T H X S+ 0 0 71 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.3 0.878 105.9 45.1 -63.3 -45.9 2.7 23.7 -4.6 127 127 A M H X S+ 0 0 55 -4,-1.3 4,-0.7 -3,-0.4 3,-0.3 0.934 111.8 52.2 -68.9 -40.8 2.3 21.0 -2.1 128 128 A L H >< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.954 109.1 51.7 -60.5 -45.8 6.0 20.1 -2.1 129 129 A D H 3< S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 112.1 45.7 -63.8 -30.9 6.9 23.8 -1.6 130 130 A N H 3< S+ 0 0 129 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.464 86.1 120.3 -90.5 -4.7 4.5 24.1 1.5 131 131 A F << - 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0 0 56 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.422 30.1-119.9 -67.0 149.6 39.1 -2.4 17.6 296 298 A D H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.829 117.3 55.7 -57.1 -37.3 37.2 -5.5 16.2 297 299 A A H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 108.1 43.9 -63.8 -41.3 36.5 -6.3 19.8 298 300 A S H > S+ 0 0 70 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.896 111.7 54.5 -69.8 -39.1 34.9 -2.9 20.6 299 301 A L H X S+ 0 0 9 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.861 108.1 51.3 -60.3 -33.4 32.9 -3.2 17.3 300 302 A R H X S+ 0 0 108 -4,-1.5 4,-2.2 -5,-0.3 3,-0.2 0.955 106.5 51.0 -72.6 -42.2 31.8 -6.5 18.6 301 303 A D H X S+ 0 0 114 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.854 108.9 54.8 -54.3 -45.1 30.6 -5.0 22.0 302 304 A Y H X S+ 0 0 40 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.829 107.7 47.4 -56.6 -46.9 28.7 -2.4 20.0 303 305 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.870 110.7 51.8 -66.7 -40.3 26.8 -5.0 18.0 304 306 A W H X S+ 0 0 47 -4,-2.2 4,-3.6 1,-0.2 5,-0.2 0.862 104.1 58.1 -65.5 -37.9 25.9 -7.0 21.1 305 307 A N H X S+ 0 0 78 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.915 107.0 46.5 -62.5 -38.2 24.5 -4.0 22.7 306 308 A T H ><>S+ 0 0 5 -4,-1.2 5,-1.8 2,-0.2 3,-0.9 0.977 114.5 48.2 -66.3 -51.1 22.1 -3.5 19.8 307 309 A L H ><5S+ 0 0 20 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.936 111.3 49.0 -53.5 -47.7 21.1 -7.1 19.9 308 310 A N H 3<5S+ 0 0 125 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.729 105.5 61.2 -67.4 -18.3 20.6 -7.1 23.7 309 311 A S T <<5S- 0 0 57 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.383 116.8-111.5 -90.0 -0.6 18.5 -4.0 23.3 310 312 A G T < 5S+ 0 0 73 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.825 77.7 125.3 70.3 33.9 16.0 -5.7 21.2 311 313 A R < - 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