==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-JUN-97 1AL6 . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.C.USHER,S.J.REMINGTON . 435 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 72.4 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 . 12 2.8 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 . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 49.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 0 1 2 2 3 1 1 3 1 0 1 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 179 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.5 11.2 3.8 -35.6 2 4 A T + 0 0 40 101,-0.1 2,-0.2 4,-0.0 102,-0.0 -0.772 360.0 161.3 -88.9 134.9 11.6 2.5 -32.1 3 5 A N >> - 0 0 60 -2,-0.4 4,-1.5 1,-0.1 3,-0.9 -0.701 26.0-166.1-156.2 102.4 8.4 2.1 -30.2 4 6 A L H 3> S+ 0 0 0 1,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.837 91.9 62.0 -55.3 -38.1 8.2 -0.1 -27.1 5 7 A K H 3> S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.891 104.3 46.7 -57.8 -40.7 4.5 0.1 -27.2 6 8 A D H <> S+ 0 0 105 -3,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.847 111.0 53.4 -69.6 -34.6 4.4 -1.7 -30.6 7 9 A V H >X S+ 0 0 45 -4,-1.5 4,-2.0 1,-0.2 3,-0.9 0.966 109.1 47.3 -65.1 -47.4 6.9 -4.3 -29.4 8 10 A L H 3X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.880 102.9 64.6 -59.2 -36.4 4.7 -5.1 -26.5 9 11 A A H 3< S+ 0 0 50 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.811 109.3 39.9 -58.4 -27.6 1.6 -5.3 -28.8 10 12 A S H X S+ 0 0 33 -4,-2.0 4,-2.0 1,-0.2 3,-0.9 0.909 99.6 66.7 -63.9 -45.4 4.6 -9.9 -27.3 12 14 A I H 3X S+ 0 0 7 -4,-3.1 4,-2.5 1,-0.3 -1,-0.2 0.874 97.9 48.1 -48.8 -53.7 1.3 -9.8 -25.3 13 15 A P H 3> S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.788 109.9 52.7 -64.3 -30.6 -0.7 -12.2 -27.4 14 16 A K H < S+ 0 0 98 -4,-3.0 3,-2.6 -5,-0.2 -3,-0.2 0.380 77.8 114.1-126.0 6.3 -1.1 -27.8 -15.1 27 29 A G T 3< S+ 0 0 56 -4,-1.9 -3,-0.1 -5,-0.3 -4,-0.1 0.816 87.8 44.3 -47.0 -35.4 -3.6 -25.4 -13.3 28 30 A N T 3 S+ 0 0 141 -5,-0.2 -1,-0.3 -4,-0.2 2,-0.3 0.447 85.4 116.0 -95.7 4.4 -4.4 -28.1 -10.8 29 31 A T < - 0 0 73 -3,-2.6 2,-0.4 1,-0.1 -3,-0.1 -0.530 65.9-127.5 -74.1 133.9 -0.9 -29.1 -10.2 30 32 A A + 0 0 87 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.701 26.3 179.0 -86.0 133.4 0.3 -28.5 -6.7 31 33 A V - 0 0 106 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.372 65.3 -18.8-108.5 -4.9 3.6 -26.6 -6.3 32 34 A G - 0 0 50 14,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.986 59.1-108.3 176.6 174.5 3.6 -26.5 -2.5 33 35 A Q - 0 0 176 -2,-0.3 2,-0.5 -3,-0.1 14,-0.2 -0.860 22.2-130.7-123.3 158.9 1.9 -26.8 0.8 34 36 A I - 0 0 118 -2,-0.3 2,-0.3 12,-0.1 -2,-0.0 -0.954 24.6-170.8-112.1 129.7 0.8 -24.3 3.5 35 37 A T >> - 0 0 73 -2,-0.5 4,-1.6 1,-0.1 3,-0.8 -0.759 37.1-107.9-114.7 165.6 1.7 -25.0 7.1 36 38 A V H 3> S+ 0 0 72 -2,-0.3 4,-1.9 1,-0.3 5,-0.3 0.893 118.8 54.7 -55.6 -44.0 0.7 -23.2 10.3 37 39 A D H 3> S+ 0 0 128 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.812 103.9 54.5 -64.6 -28.9 4.1 -21.8 10.7 38 40 A M H <4>S+ 0 0 41 -3,-0.8 5,-2.1 2,-0.2 6,-0.6 0.893 109.0 48.5 -70.2 -37.2 4.0 -20.2 7.3 39 41 A S H ><5S+ 0 0 75 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.823 116.0 42.2 -67.1 -38.6 0.8 -18.5 8.0 40 42 A Y H 3<5S+ 0 0 125 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.727 110.8 62.7 -78.4 -23.8 2.1 -17.2 11.3 41 43 A G T ><5S- 0 0 31 -4,-1.4 3,-1.0 -5,-0.3 -1,-0.2 -0.009 119.8 -95.0 -97.9 31.6 5.4 -16.4 9.7 42 44 A G T < 5S- 0 0 53 -3,-0.6 -3,-0.2 1,-0.2 3,-0.1 0.865 78.2 -64.6 61.2 39.7 4.5 -13.8 7.1 43 45 A M T > -A 61 0A 61 4,-2.2 4,-2.4 -2,-0.5 263,-0.1 -0.880 17.5-137.2 -97.1 131.9 17.6 -17.3 -6.1 58 60 A P T 4 S+ 0 0 50 0, 0.0 264,-3.1 0, 0.0 265,-0.6 0.801 102.9 28.2 -59.7 -29.1 18.4 -17.8 -2.4 59 61 A D T 4 S+ 0 0 88 262,-0.2 262,-0.0 263,-0.1 -3,-0.0 0.833 129.3 36.7 -97.6 -41.1 22.0 -18.7 -3.1 60 62 A E T 4 S- 0 0 137 1,-0.3 2,-0.1 265,-0.0 261,-0.0 0.622 97.7-137.5 -92.7 -15.0 22.7 -16.9 -6.4 61 63 A G E < -A 57 0A 1 -4,-2.4 -4,-2.2 264,-0.1 -1,-0.3 -0.485 48.3 -9.2 91.0-170.3 20.8 -13.7 -5.9 62 64 A I E -A 56 0A 3 -6,-0.2 7,-0.5 -2,-0.1 2,-0.4 -0.392 49.1-167.2 -74.0 142.8 18.6 -11.8 -8.3 63 65 A R E -AB 55 68A 83 -8,-1.9 -8,-2.2 5,-0.2 2,-0.8 -0.990 12.8-147.1-128.1 132.5 18.2 -12.4 -12.0 64 66 A F E > S-AB 54 67A 1 3,-2.8 3,-2.2 -2,-0.4 -10,-0.2 -0.906 84.6 -27.0-101.2 107.3 16.6 -9.9 -14.3 65 67 A R T 3 S- 0 0 63 -12,-1.4 -1,-0.2 -2,-0.8 -11,-0.1 0.903 131.8 -45.1 51.3 42.5 14.8 -11.7 -17.0 66 68 A G T 3 S+ 0 0 49 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.355 116.5 113.9 87.3 -9.6 17.3 -14.5 -16.5 67 69 A F E < -B 64 0A 55 -3,-2.2 -3,-2.8 4,-0.0 -1,-0.2 -0.822 56.0-139.7-103.5 138.6 20.4 -12.3 -16.3 68 70 A S E > -B 63 0A 19 -2,-0.5 4,-2.9 -5,-0.2 5,-0.2 -0.279 33.2 -98.6 -78.9 167.5 22.6 -11.8 -13.3 69 71 A I H > S+ 0 0 10 -7,-0.5 4,-3.0 1,-0.2 5,-0.3 0.946 123.7 48.9 -53.2 -52.3 24.0 -8.5 -12.3 70 72 A P H > S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.891 110.0 54.0 -56.9 -37.6 27.4 -9.1 -13.8 71 73 A E H > S+ 0 0 69 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.946 109.9 46.5 -62.2 -47.1 25.7 -10.2 -17.0 72 74 A C H X S+ 0 0 3 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.926 108.6 55.1 -59.6 -43.7 23.8 -6.9 -17.1 73 75 A Q H < S+ 0 0 41 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.937 116.0 40.0 -54.5 -44.0 26.9 -4.9 -16.4 74 76 A K H < S+ 0 0 161 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.874 124.0 35.0 -74.6 -37.2 28.4 -6.6 -19.3 75 77 A L H < S+ 0 0 77 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.759 92.4 89.5 -92.7 -31.7 25.4 -6.6 -21.7 76 78 A L S < S- 0 0 0 -4,-3.0 25,-0.1 -5,-0.2 23,-0.0 -0.487 84.1-100.8 -74.2 144.8 23.5 -3.4 -21.1 77 79 A P - 0 0 18 0, 0.0 9,-2.2 0, 0.0 12,-0.2 -0.264 38.9-152.2 -60.9 141.3 24.4 -0.3 -23.0 78 80 A K B -C 85 0B 74 7,-0.2 3,-0.1 1,-0.1 2,-0.1 -0.597 24.3 -87.9-109.2 172.0 26.5 2.3 -21.2 79 81 A A > - 0 0 14 5,-0.7 3,-2.8 -2,-0.2 2,-0.3 -0.349 62.9 -76.9 -72.1 157.6 26.8 6.0 -21.5 80 82 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.405 125.5 2.4 -59.4 117.9 29.3 7.4 -23.9 81 83 A G T 3 S+ 0 0 93 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.324 112.7 132.1 84.7 -6.5 32.6 7.0 -22.2 82 84 A G < - 0 0 23 -3,-2.8 -1,-0.3 1,-0.1 -4,-0.1 -0.116 47.1-166.7 -75.6 169.3 30.7 5.2 -19.3 83 85 A E + 0 0 128 -3,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.483 67.0 77.8-123.7 -31.1 31.3 2.0 -17.4 84 86 A E S S- 0 0 13 1,-0.1 -5,-0.7 -10,-0.0 -2,-0.1 -0.724 86.1-104.2 -93.6 145.4 28.0 1.6 -15.6 85 87 A P B -C 78 0B 3 0, 0.0 -7,-0.2 0, 0.0 146,-0.2 -0.307 32.5-117.3 -64.6 140.8 24.8 0.3 -17.2 86 88 A L >> - 0 0 13 -9,-2.2 4,-1.3 1,-0.1 3,-1.1 -0.642 13.3-138.1 -81.1 130.1 22.1 2.8 -18.1 87 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.775 100.7 69.9 -58.7 -27.2 18.9 2.1 -16.1 88 90 A E H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.894 99.6 47.7 -55.1 -44.4 17.0 2.9 -19.3 89 91 A G H <> S+ 0 0 0 -3,-1.1 4,-2.5 -12,-0.2 -1,-0.2 0.858 107.2 55.3 -66.2 -37.5 18.3 -0.3 -20.8 90 92 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.936 106.0 53.0 -61.2 -41.2 17.4 -2.3 -17.7 91 93 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.953 107.9 50.1 -58.8 -47.5 13.9 -1.1 -18.1 92 94 A W H X>S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.5 0.951 110.5 50.1 -55.0 -46.8 13.8 -2.3 -21.7 93 95 A L H X5S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 110.6 48.9 -61.6 -39.8 15.1 -5.6 -20.7 94 96 A L H <5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.9 43.3 -67.5 -39.8 12.5 -6.0 -17.9 95 97 A V H <5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.892 129.5 22.1 -73.5 -43.0 9.7 -5.1 -20.1 96 98 A T H <5S- 0 0 9 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.643 91.1-128.1-100.4 -20.1 10.5 -7.1 -23.2 97 99 A G S < - 0 0 57 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.433 31.6-108.4 -86.1 168.2 20.3 -1.9 -28.5 102 104 A P H > S+ 0 0 78 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.850 122.1 56.9 -67.3 -29.2 21.8 1.4 -27.8 103 105 A E H > S+ 0 0 126 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.908 107.1 46.4 -66.4 -40.4 19.4 2.9 -30.2 104 106 A Q H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.915 111.4 53.8 -66.8 -39.9 16.6 1.5 -28.3 105 107 A V H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.922 105.0 52.6 -61.2 -45.7 18.1 2.8 -25.2 106 108 A S H X S+ 0 0 55 -4,-2.9 4,-2.1 1,-0.2 -1,-0.3 0.846 104.9 56.6 -62.8 -25.9 18.4 6.3 -26.5 107 109 A W H X S+ 0 0 32 -4,-1.2 4,-2.9 -3,-0.3 -1,-0.2 0.914 104.8 51.1 -70.3 -38.8 14.8 6.2 -27.4 108 110 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.953 108.9 52.4 -60.9 -44.4 13.8 5.5 -23.9 109 111 A S H X S+ 0 0 14 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.908 112.0 45.0 -59.2 -41.0 16.0 8.4 -22.7 110 112 A K H X S+ 0 0 79 -4,-2.1 4,-3.3 -5,-0.2 -1,-0.2 0.940 111.5 52.5 -68.4 -43.0 14.3 10.8 -25.1 111 113 A E H X S+ 0 0 28 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.914 111.0 47.0 -56.4 -49.3 10.8 9.5 -24.2 112 114 A W H X S+ 0 0 3 -4,-2.9 4,-0.7 -5,-0.2 -1,-0.2 0.892 112.4 50.3 -62.7 -36.7 11.5 10.0 -20.5 113 115 A A H >< S+ 0 0 14 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.938 110.3 50.6 -66.9 -41.4 12.8 13.4 -21.2 114 116 A K H 3< S+ 0 0 120 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.8 47.6 -61.5 -41.1 9.8 14.4 -23.2 115 117 A R H 3< S+ 0 0 43 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.2 0.536 81.1 114.5 -82.4 -5.2 7.3 13.3 -20.7 116 118 A A << + 0 0 22 -3,-0.9 2,-0.3 -4,-0.7 85,-0.1 -0.505 37.5 123.7 -72.4 113.1 8.8 15.0 -17.6 117 119 A A - 0 0 57 -2,-0.6 62,-0.1 58,-0.2 65,-0.0 -0.901 43.4-142.5-167.6 140.3 6.6 17.7 -16.3 118 120 A L - 0 0 42 -2,-0.3 2,-0.1 64,-0.1 -2,-0.0 -0.917 18.0-126.7-112.5 141.3 4.9 18.6 -13.0 119 121 A P >> - 0 0 22 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.447 27.0-117.8 -77.4 150.9 1.5 20.1 -12.5 120 122 A S H 3> S+ 0 0 94 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.825 110.4 62.1 -61.4 -36.3 1.4 23.2 -10.3 121 123 A H H 3> S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.897 106.6 47.0 -58.7 -36.0 -0.7 21.7 -7.6 122 124 A V H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 5,-0.2 0.925 111.0 49.8 -73.4 -40.0 2.1 19.3 -7.0 123 125 A V H X S+ 0 0 42 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.934 111.1 50.9 -60.8 -40.8 4.7 21.9 -7.0 124 126 A T H X S+ 0 0 74 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.915 108.5 51.3 -61.3 -44.4 2.7 24.0 -4.6 125 127 A M H X S+ 0 0 47 -4,-1.9 4,-0.9 -5,-0.3 3,-0.3 0.911 110.7 47.4 -60.3 -46.6 2.3 21.1 -2.2 126 128 A L H >< S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.959 110.7 52.1 -64.3 -44.1 5.9 20.3 -2.1 127 129 A D H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.734 110.5 49.2 -64.2 -21.1 6.9 23.9 -1.5 128 130 A N H 3< S+ 0 0 126 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.598 84.7 111.7 -95.8 -8.0 4.5 24.1 1.4 129 131 A F S << S- 0 0 46 -3,-1.1 2,-0.1 -4,-0.9 -3,-0.0 -0.310 72.1-112.3 -64.4 145.3 5.6 20.9 3.2 130 132 A P > - 0 0 68 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.425 19.2-122.2 -77.0 152.8 7.3 21.4 6.5 131 133 A T T 3 S+ 0 0 116 1,-0.3 -2,-0.1 -2,-0.1 60,-0.0 0.655 109.4 62.9 -71.9 -12.8 11.0 20.4 6.8 132 134 A N T 3 S+ 0 0 141 2,-0.1 2,-0.7 3,-0.0 -1,-0.3 0.350 77.8 102.3 -91.7 7.6 10.3 17.9 9.5 133 135 A L S < S- 0 0 52 -3,-1.6 5,-0.1 1,-0.1 -4,-0.0 -0.826 85.3-111.0 -92.3 118.0 8.1 15.9 7.2 134 136 A H >> - 0 0 52 -2,-0.7 4,-2.6 1,-0.1 3,-0.6 -0.111 18.7-120.5 -50.8 142.6 10.2 12.9 6.1 135 137 A P H 3> S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.868 112.0 52.5 -54.2 -39.4 11.4 12.8 2.5 136 138 A M H 3> S+ 0 0 3 253,-0.3 4,-2.7 1,-0.2 5,-0.2 0.857 109.3 49.9 -68.2 -32.8 9.6 9.5 1.8 137 139 A S H <> S+ 0 0 56 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.901 110.4 49.5 -70.3 -41.0 6.4 10.8 3.2 138 140 A Q H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.917 112.9 49.4 -59.8 -40.3 6.8 13.9 1.0 139 141 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.972 111.6 45.7 -65.5 -50.1 7.4 11.6 -2.0 140 142 A S H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.925 112.6 50.8 -62.2 -44.3 4.5 9.3 -1.4 141 143 A A H X S+ 0 0 38 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.943 110.9 50.1 -58.7 -44.8 2.1 12.2 -0.9 142 144 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.921 110.7 47.9 -59.9 -44.9 3.3 13.9 -4.1 143 145 A I H < S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 3,-0.4 0.906 112.1 49.8 -63.5 -43.4 2.9 10.7 -6.2 144 146 A T H >< S+ 0 0 62 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.2 0.958 108.6 53.0 -57.0 -48.3 -0.6 10.2 -4.8 145 147 A A H >< S+ 0 0 25 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.704 99.9 64.4 -59.9 -23.1 -1.4 13.8 -5.6 146 148 A L G >< S+ 0 0 1 -4,-1.2 3,-2.6 -3,-0.4 -1,-0.3 0.619 74.3 90.9 -75.2 -15.4 -0.3 13.2 -9.2 147 149 A N G X + 0 0 51 -3,-1.9 3,-2.1 -4,-0.4 -1,-0.2 0.712 65.5 80.2 -59.5 -11.0 -3.1 10.7 -9.8 148 150 A S G < S+ 0 0 69 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.760 94.9 49.0 -63.7 -20.8 -5.2 13.6 -11.0 149 151 A E G < S+ 0 0 70 -3,-2.6 -1,-0.3 -4,-0.1 -2,-0.2 0.389 80.5 138.5 -96.6 1.9 -3.3 13.2 -14.3 150 152 A S <> - 0 0 3 -3,-2.1 4,-1.3 1,-0.2 5,-0.1 -0.288 36.4-167.8 -57.8 127.5 -3.8 9.4 -14.5 151 153 A N H > S+ 0 0 39 17,-0.2 4,-2.8 2,-0.2 5,-0.2 0.865 91.1 51.0 -80.6 -33.0 -4.6 8.3 -18.0 152 154 A F H > S+ 0 0 4 16,-0.4 4,-2.7 2,-0.2 5,-0.3 0.952 108.3 50.3 -66.6 -44.5 -5.6 4.9 -16.8 153 155 A A H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 113.0 48.9 -59.4 -39.0 -7.9 6.3 -14.2 154 156 A R H X S+ 0 0 128 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.928 110.8 47.6 -66.9 -46.6 -9.5 8.4 -16.9 155 157 A A H X>S+ 0 0 9 -4,-2.8 5,-1.9 2,-0.2 4,-0.6 0.893 110.0 53.9 -63.2 -40.5 -9.9 5.6 -19.3 156 158 A Y H ><5S+ 0 0 123 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.941 106.2 51.4 -58.9 -48.0 -11.4 3.4 -16.7 157 159 A A H 3<5S+ 0 0 84 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.809 105.4 58.3 -60.4 -25.0 -14.0 6.1 -15.8 158 160 A E H 3<5S- 0 0 158 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.580 120.2-107.4 -81.6 -10.5 -14.8 6.2 -19.5 159 161 A G T <<5 - 0 0 61 -3,-1.6 -3,-0.2 -4,-0.6 -2,-0.1 0.675 48.1-176.0 95.2 20.2 -15.7 2.5 -19.6 160 162 A I < - 0 0 49 -5,-1.9 2,-0.2 1,-0.1 -1,-0.1 -0.060 35.0-102.7 -48.7 141.9 -12.8 1.2 -21.5 161 163 A N > - 0 0 103 1,-0.1 3,-2.4 3,-0.1 4,-0.2 -0.474 30.9-119.0 -66.5 139.5 -13.0 -2.5 -22.3 162 164 A R G > S+ 0 0 185 1,-0.3 3,-1.9 -2,-0.2 4,-0.3 0.780 106.4 72.2 -51.2 -33.0 -10.8 -4.5 -19.9 163 165 A T G 3 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.728 96.6 51.2 -59.2 -17.9 -8.6 -5.9 -22.7 164 166 A K G X> S+ 0 0 67 -3,-2.4 3,-1.3 1,-0.2 4,-1.0 0.386 74.7 106.0-100.7 3.7 -7.0 -2.4 -23.3 165 167 A Y H X> S+ 0 0 32 -3,-1.9 4,-2.5 1,-0.3 3,-0.9 0.923 73.8 60.0 -46.8 -49.5 -6.0 -1.8 -19.7 166 168 A W H 3> S+ 0 0 24 -4,-0.3 4,-2.3 245,-0.3 -1,-0.3 0.786 97.0 60.3 -49.9 -36.2 -2.4 -2.4 -20.4 167 169 A E H <> S+ 0 0 51 -3,-1.3 4,-1.2 2,-0.2 -1,-0.3 0.894 109.8 39.9 -63.2 -41.6 -2.2 0.3 -22.9 168 170 A F H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 3,-0.7 0.785 92.0 85.3 -81.4 -23.2 8.4 12.6 -13.5 180 182 A L H 3X S+ 0 0 1 -4,-2.1 4,-3.3 1,-0.3 5,-0.3 0.865 88.2 48.8 -44.4 -54.0 10.0 10.8 -10.6 181 183 A P H 3> S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.860 109.0 54.0 -62.0 -32.3 13.3 12.5 -10.7 182 184 A C H <> S+ 0 0 8 -3,-0.7 4,-2.1 -4,-0.4 -2,-0.2 0.927 113.4 42.9 -67.4 -43.7 11.7 15.9 -10.9 183 185 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.952 115.6 48.0 -63.6 -53.2 9.7 15.2 -7.8 184 186 A A H X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.3 -2,-0.2 0.925 114.2 46.5 -55.5 -44.5 12.5 13.6 -6.0 185 187 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.847 106.3 57.1 -70.2 -32.1 14.9 16.4 -6.8 186 188 A K H X S+ 0 0 27 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.893 107.5 50.4 -64.5 -34.9 12.4 19.1 -5.9 187 189 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.946 109.2 51.3 -64.0 -44.5 12.3 17.5 -2.4 188 190 A Y H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.4 0.924 113.5 43.2 -58.1 -48.9 16.0 17.5 -2.2 189 191 A R H X S+ 0 0 36 -4,-2.3 4,-2.3 3,-0.2 7,-0.3 0.896 112.9 51.6 -65.9 -41.7 16.4 21.2 -3.0 190 192 A N H < S+ 0 0 38 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.893 119.9 35.6 -64.8 -38.2 13.5 22.3 -0.9 191 193 A L H < S+ 0 0 32 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.889 135.6 17.0 -82.6 -44.3 14.9 20.5 2.1 192 194 A Y H < S+ 0 0 66 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.492 129.8 36.9-113.5 -6.1 18.6 20.9 1.6 193 195 A R S >< S- 0 0 89 -4,-2.3 3,-1.8 -5,-0.4 -1,-0.1 -0.174 77.9-170.5-139.0 45.5 19.2 23.7 -0.9 194 196 A A T 3 + 0 0 88 1,-0.3 -4,-0.1 -4,-0.2 3,-0.1 -0.075 69.3 25.3 -45.8 128.5 16.5 26.1 0.1 195 197 A G T 3 S+ 0 0 90 1,-0.4 -1,-0.3 -6,-0.0 2,-0.2 0.229 100.5 100.2 99.8 -11.2 16.1 29.0 -2.4 196 198 A S < - 0 0 49 -3,-1.8 -1,-0.4 -7,-0.3 2,-0.3 -0.481 63.5-128.3-100.2 174.9 17.6 27.2 -5.4 197 199 A S - 0 0 77 -2,-0.2 3,-0.1 -3,-0.1 -11,-0.0 -0.936 12.0-132.4-126.5 149.2 15.8 25.5 -8.4 198 200 A I - 0 0 27 -2,-0.3 18,-0.1 1,-0.2 2,-0.1 0.730 47.1-154.3 -73.9 -20.7 16.0 22.1 -10.0 199 201 A G - 0 0 44 2,-0.0 2,-0.3 15,-0.0 -1,-0.2 -0.420 26.3 -42.3 83.6-160.6 16.2 23.6 -13.4 200 202 A A - 0 0 90 -2,-0.1 2,-0.2 -3,-0.1 -3,-0.0 -0.741 49.9-103.8-115.7 161.6 15.2 22.0 -16.6 201 203 A I - 0 0 50 -2,-0.3 2,-0.7 -85,-0.1 -2,-0.0 -0.548 24.9-140.8 -80.2 140.2 15.5 18.7 -18.3 202 204 A D > - 0 0 72 -2,-0.2 3,-2.2 4,-0.1 8,-0.1 -0.923 4.2-154.0-103.6 109.3 17.9 18.3 -21.1 203 205 A S T 3 S+ 0 0 68 -2,-0.7 -90,-0.2 1,-0.3 -89,-0.1 0.599 91.3 62.3 -59.1 -9.6 16.3 16.2 -23.8 204 206 A K T 3 S+ 0 0 150 -91,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.528 91.5 75.5 -95.4 -7.1 19.8 15.2 -24.8 205 207 A L S < S- 0 0 36 -3,-2.2 -92,-0.1 -96,-0.1 2,-0.1 -0.654 83.4-101.5-103.9 164.6 20.9 13.4 -21.6 206 208 A D > - 0 0 18 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.353 40.1-105.1 -74.6 160.0 20.2 10.1 -20.0 207 209 A W H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 118.9 51.4 -53.5 -49.0 17.7 9.9 -17.2 208 210 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.906 111.0 49.9 -55.8 -45.4 20.4 9.4 -14.5 209 211 A H H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.930 109.2 48.9 -64.9 -44.7 22.3 12.4 -15.7 210 212 A N H X S+ 0 0 10 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.935 112.0 53.0 -60.7 -38.7 19.3 14.8 -15.8 211 213 A F H X S+ 0 0 1 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.943 108.4 46.5 -60.7 -49.7 18.6 13.6 -12.3 212 214 A T H X>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.9 0.834 111.1 53.9 -63.2 -33.8 22.1 14.3 -10.9 213 215 A N H <5S+ 0 0 72 -4,-2.0 3,-0.5 -5,-0.2 -1,-0.2 0.923 108.7 47.6 -65.1 -46.3 22.0 17.7 -12.5 214 216 A M H <5S+ 0 0 4 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.838 110.1 53.1 -64.2 -30.2 18.7 18.5 -10.9 215 217 A L H <5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.657 117.9-118.5 -73.7 -21.0 20.2 17.3 -7.5 216 218 A G T <5 + 0 0 44 -4,-0.9 2,-0.4 -3,-0.5 -3,-0.2 0.688 63.1 142.4 91.5 26.5 23.0 19.7 -8.2 217 219 A Y < + 0 0 24 -5,-2.7 -1,-0.2 1,-0.1 -2,-0.1 -0.802 25.6 179.5-103.2 135.9 26.0 17.3 -8.4 218 220 A T + 0 0 136 -2,-0.4 -1,-0.1 4,-0.0 5,-0.1 0.778 43.9 110.3-104.4 -27.7 28.8 17.9 -10.9 219 221 A D >> - 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