==== 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 COLD-ACTIVITY 20-FEB-98 1A59 . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANTARCTIC BACTERIUM DS2-3R; . AUTHOR R.J.M.RUSSELL,U.GERIKE,M.J.DANSON,D.W.HOUGH,G.L.TAYLOR . 377 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 66.6 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 . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 2 0 0 4 1 1 1 3 0 0 2 0 0 0 0 1 0 0 0 1 0 0 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 . 1 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 2 A E 0 0 204 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 144.0 -31.9 85.3 94.0 2 3 A P - 0 0 87 0, 0.0 2,-0.6 0, 0.0 365,-0.0 -0.333 360.0 -98.7 -78.2 165.3 -31.3 82.6 96.7 3 4 A T - 0 0 111 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.796 35.8-141.7 -87.1 122.3 -28.3 80.2 96.5 4 5 A I - 0 0 110 -2,-0.6 2,-0.5 1,-0.1 362,-0.0 -0.739 9.0-160.2 -86.3 130.5 -29.5 76.8 95.0 5 6 A H > - 0 0 102 -2,-0.4 3,-2.6 3,-0.0 6,-0.1 -0.606 10.0-162.4-113.2 69.8 -27.9 73.8 96.6 6 7 A K G > S- 0 0 181 -2,-0.5 3,-1.3 1,-0.3 -2,-0.0 -0.287 79.9 -1.8 -52.4 124.1 -28.4 71.0 94.1 7 8 A G G 3 S- 0 0 53 1,-0.2 -1,-0.3 -2,-0.1 3,-0.2 0.590 112.8 -91.6 66.8 11.3 -27.9 67.7 95.8 8 9 A L G X - 0 0 82 -3,-2.6 3,-1.9 1,-0.2 2,-0.2 0.808 65.5-174.5 51.0 34.4 -27.0 69.6 99.0 9 10 A A T < - 0 0 54 -3,-1.3 -1,-0.2 1,-0.3 3,-0.1 -0.417 67.4 -0.8 -63.4 121.6 -23.4 69.4 97.9 10 11 A G T 3 S+ 0 0 83 -2,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.515 99.2 136.1 76.8 4.3 -21.1 70.9 100.6 11 12 A V < - 0 0 57 -3,-1.9 2,-0.9 -4,-0.1 -1,-0.2 -0.774 50.5-144.3 -91.5 122.9 -24.1 71.6 102.8 12 13 A T - 0 0 129 -2,-0.5 3,-0.1 1,-0.2 -3,-0.0 -0.779 19.2-178.8 -86.6 105.3 -23.7 70.7 106.5 13 14 A A - 0 0 53 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.729 58.3 -31.3 -77.3 -27.4 -27.2 69.6 107.5 14 15 A D - 0 0 61 2,-0.0 2,-0.2 173,-0.0 -1,-0.2 -0.971 64.8 -85.5-172.7-176.7 -26.5 68.9 111.1 15 16 A V - 0 0 107 -2,-0.3 2,-0.3 -3,-0.1 0, 0.0 -0.660 39.2-170.7-103.8 157.3 -24.0 67.8 113.7 16 17 A T - 0 0 40 -2,-0.2 335,-0.0 1,-0.1 -2,-0.0 -0.964 27.4-167.6-153.8 143.3 -23.3 64.1 114.6 17 18 A A S S+ 0 0 64 -2,-0.3 3,-0.1 1,-0.1 14,-0.1 0.335 78.5 80.5-107.2 2.0 -21.5 62.1 117.2 18 19 A I S S- 0 0 2 1,-0.2 13,-2.5 13,-0.1 2,-0.3 0.925 101.9 -10.7 -78.2 -47.4 -21.7 58.8 115.3 19 20 A S E -A 30 0A 11 11,-0.2 2,-0.5 12,-0.1 -1,-0.2 -0.994 50.0-140.4-155.4 157.1 -18.9 59.0 112.7 20 21 A K E -A 29 0A 126 9,-1.4 9,-2.0 -2,-0.3 2,-0.6 -0.986 14.1-163.6-123.6 121.7 -16.4 61.4 111.1 21 22 A V E -A 28 0A 30 -2,-0.5 2,-0.6 7,-0.2 7,-0.2 -0.924 7.9-172.7-108.5 116.4 -15.8 61.2 107.4 22 23 A N E > -A 27 0A 42 5,-2.8 5,-1.8 -2,-0.6 4,-0.5 -0.913 15.0-175.2-117.0 112.9 -12.6 62.9 106.2 23 24 A S T > 5S+ 0 0 22 -2,-0.6 3,-1.0 3,-0.2 250,-0.3 0.923 84.2 57.9 -66.0 -47.8 -11.8 63.3 102.5 24 25 A D T 3 5S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.894 120.4 26.4 -50.4 -48.5 -8.4 64.8 103.0 25 26 A T T 3 5S- 0 0 93 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.248 101.1-123.1-103.2 11.7 -7.0 61.9 105.0 26 27 A N T < 5 + 0 0 54 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.913 64.0 148.2 47.3 46.9 -9.2 59.1 103.7 27 28 A S E < -A 22 0A 32 -5,-1.8 -5,-2.8 8,-0.0 2,-0.4 -0.867 35.8-172.3-119.3 153.1 -10.3 58.4 107.2 28 29 A L E -A 21 0A 0 -2,-0.3 7,-2.6 -7,-0.2 2,-0.4 -0.968 6.9-164.5-142.6 120.5 -13.5 57.2 108.9 29 30 A L E -AB 20 34A 51 -9,-2.0 -9,-1.4 -2,-0.4 2,-0.7 -0.899 9.2-155.8-109.8 133.2 -14.1 57.1 112.7 30 31 A Y E > S-AB 19 33A 0 3,-3.1 3,-2.2 -2,-0.4 -11,-0.2 -0.936 86.4 -31.5-106.3 104.6 -16.9 55.1 114.3 31 32 A R T 3 S- 0 0 43 -13,-2.5 -1,-0.2 -2,-0.7 -12,-0.1 0.913 130.7 -41.3 49.2 47.6 -17.5 57.0 117.6 32 33 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 -14,-0.1 -13,-0.1 0.011 117.7 108.7 94.3 -26.9 -13.9 57.9 117.7 33 34 A Y E < S-B 30 0A 81 -3,-2.2 -3,-3.1 1,-0.1 -1,-0.2 -0.731 73.0-115.8 -92.8 130.5 -12.3 54.6 116.5 34 35 A P E >> -B 29 0A 28 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.360 20.5-133.2 -61.3 130.4 -10.8 54.3 113.0 35 36 A V H 3> S+ 0 0 0 -7,-2.6 4,-2.6 1,-0.2 5,-0.2 0.789 104.2 59.6 -56.3 -33.0 -12.7 51.8 110.9 36 37 A Q H 3> S+ 0 0 67 -8,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.897 107.6 46.2 -63.0 -41.9 -9.6 50.0 109.8 37 38 A E H <> S+ 0 0 108 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.849 112.7 48.7 -69.6 -37.8 -8.7 49.2 113.5 38 39 A L H X S+ 0 0 5 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.909 112.5 49.0 -68.6 -41.2 -12.3 48.0 114.3 39 40 A A H < S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.841 110.3 52.7 -66.3 -33.0 -12.3 45.8 111.2 40 41 A A H < S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.776 129.2 10.6 -75.3 -29.7 -8.9 44.4 112.1 41 42 A K H < S+ 0 0 173 -4,-1.4 2,-0.3 -3,-0.2 -2,-0.2 0.333 109.3 74.9-139.0 18.9 -9.8 43.3 115.7 42 43 A C < - 0 0 19 -4,-2.0 2,-0.2 -5,-0.1 138,-0.1 -0.841 65.8-124.2-128.2 161.3 -13.5 43.5 116.4 43 44 A S > - 0 0 29 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.619 33.2-111.5 -95.4 162.0 -16.6 41.5 115.5 44 45 A F H > S+ 0 0 1 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.894 119.3 61.4 -60.4 -36.6 -19.5 43.2 113.8 45 46 A E H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 104.5 46.8 -56.3 -43.5 -21.4 42.7 117.1 46 47 A Q H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 114.0 48.0 -66.0 -38.4 -18.9 44.9 119.0 47 48 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.866 111.1 50.6 -70.3 -36.5 -19.1 47.5 116.2 48 49 A A H X S+ 0 0 0 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.941 112.9 45.9 -65.4 -46.7 -22.9 47.4 116.3 49 50 A Y H X S+ 0 0 28 -4,-2.7 4,-2.8 -5,-0.2 6,-0.4 0.911 112.3 53.1 -61.5 -42.7 -22.8 47.8 120.1 50 51 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.917 106.5 50.4 -58.5 -49.3 -20.3 50.6 119.6 51 52 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 118.3 39.2 -60.9 -34.3 -22.4 52.6 117.1 52 53 A W H < S+ 0 0 24 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.867 126.2 32.6 -83.5 -39.3 -25.5 52.5 119.4 53 54 A N H < S- 0 0 61 -4,-2.8 -2,-0.2 2,-0.3 -3,-0.2 0.488 95.6-127.8 -98.9 -5.8 -23.8 53.0 122.8 54 55 A S S < S+ 0 0 51 -4,-2.2 2,-0.3 -5,-0.2 -4,-0.1 0.489 84.3 75.6 69.6 6.3 -20.9 55.2 121.8 55 56 A E S S- 0 0 120 -6,-0.4 -2,-0.3 -5,-0.2 -1,-0.1 -0.990 88.1-106.6-145.2 148.5 -18.5 52.8 123.6 56 57 A L - 0 0 55 -2,-0.3 2,-0.1 1,-0.1 -9,-0.1 -0.517 50.6-105.8 -69.7 143.4 -17.0 49.4 122.9 57 58 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.444 23.9-133.8 -75.5 143.3 -18.6 46.8 125.1 58 59 A N > - 0 0 87 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.360 43.4 -86.4 -81.6 176.4 -16.9 45.2 128.1 59 60 A D H > S+ 0 0 148 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.894 128.4 43.7 -51.4 -48.9 -17.1 41.4 128.4 60 61 A S H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 113.9 49.8 -66.7 -40.9 -20.4 41.4 130.3 61 62 A E H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 111.4 49.7 -64.4 -40.2 -22.1 43.9 128.0 62 63 A L H X S+ 0 0 36 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.884 108.5 53.3 -66.5 -37.8 -21.0 42.0 125.0 63 64 A K H X S+ 0 0 144 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.937 111.8 44.2 -62.9 -47.8 -22.3 38.7 126.4 64 65 A A H X S+ 0 0 62 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.915 115.0 49.3 -63.1 -44.4 -25.8 40.3 127.0 65 66 A F H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 112.5 47.3 -61.1 -46.3 -25.7 41.9 123.6 66 67 A V H X S+ 0 0 26 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.868 109.3 54.7 -65.0 -35.8 -24.7 38.7 121.8 67 68 A N H X S+ 0 0 86 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.902 110.6 44.7 -65.6 -40.1 -27.4 36.8 123.8 68 69 A F H >< S+ 0 0 48 -4,-2.0 3,-0.6 2,-0.2 4,-0.4 0.911 113.3 51.9 -68.5 -44.3 -30.2 39.1 122.6 69 70 A E H >< S+ 0 0 5 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.981 109.3 47.4 -56.8 -59.2 -28.8 39.1 119.0 70 71 A R H 3< S+ 0 0 56 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.630 112.2 51.0 -61.3 -14.9 -28.7 35.3 118.7 71 72 A S T << S+ 0 0 65 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.365 105.6 55.4-104.0 6.0 -32.3 34.9 120.1 72 73 A H S < S+ 0 0 58 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.081 79.0 93.8-124.8 26.9 -33.9 37.4 117.8 73 74 A R + 0 0 2 -3,-0.3 58,-0.3 55,-0.1 -2,-0.1 0.761 50.8 112.1 -89.0 -31.8 -32.9 36.0 114.4 74 75 A K S S- 0 0 131 1,-0.1 2,-0.4 -4,-0.1 73,-0.1 -0.169 73.7-114.1 -50.1 135.3 -35.9 33.8 113.6 75 76 A L - 0 0 11 56,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.603 33.1-117.8 -75.5 121.2 -38.0 35.0 110.6 76 77 A D > - 0 0 71 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.306 19.3-121.6 -60.0 140.4 -41.5 36.0 111.8 77 78 A E H > S+ 0 0 167 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.861 110.8 45.2 -51.6 -46.0 -44.3 34.0 110.3 78 79 A N H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.824 110.0 54.5 -70.6 -34.2 -46.1 37.0 108.7 79 80 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 110.5 45.9 -66.4 -42.6 -42.9 38.4 107.3 80 81 A K H X S+ 0 0 65 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 110.6 54.9 -65.6 -40.1 -42.1 35.1 105.6 81 82 A G H < S+ 0 0 34 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.889 107.5 49.4 -59.1 -40.0 -45.7 35.1 104.4 82 83 A A H >< S+ 0 0 14 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.898 109.1 51.6 -66.6 -41.7 -45.2 38.5 102.9 83 84 A I H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.895 105.8 56.3 -61.7 -38.9 -42.0 37.5 101.1 84 85 A D T 3< S+ 0 0 78 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.543 98.8 61.0 -71.9 -6.7 -43.9 34.5 99.7 85 86 A L T < S+ 0 0 153 -3,-1.3 2,-0.4 -4,-0.3 -1,-0.3 0.428 94.1 81.8 -94.1 -4.8 -46.5 36.9 98.1 86 87 A L S < S- 0 0 47 -3,-1.6 2,-0.0 -4,-0.2 9,-0.0 -0.812 90.6-105.3-102.7 143.5 -43.7 38.4 96.1 87 88 A S > - 0 0 71 -2,-0.4 3,-1.5 1,-0.1 -2,-0.1 -0.338 18.8-126.9 -67.5 148.1 -42.4 36.9 92.9 88 89 A T T 3 S+ 0 0 82 1,-0.3 -1,-0.1 51,-0.1 -4,-0.0 0.372 111.1 59.5 -73.5 4.6 -39.0 35.1 92.9 89 90 A A T 3 S+ 0 0 87 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.460 82.5 101.3-109.8 -7.8 -38.2 37.5 90.0 90 91 A C S < S- 0 0 31 -3,-1.5 5,-0.0 1,-0.1 -4,-0.0 -0.240 87.9 -80.9 -74.3 166.9 -38.6 40.8 91.9 91 92 A H >> - 0 0 46 1,-0.1 4,-1.2 2,-0.0 3,-1.1 -0.517 31.1-132.2 -72.7 132.8 -35.7 42.8 93.2 92 93 A P H 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.811 107.5 59.0 -52.4 -32.4 -34.2 41.6 96.5 93 94 A M H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.860 102.8 52.1 -66.8 -33.9 -34.3 45.2 97.8 94 95 A D H <> S+ 0 0 36 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.774 109.6 50.3 -71.4 -26.3 -38.0 45.4 97.2 95 96 A V H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.895 112.0 46.4 -75.0 -42.7 -38.3 42.1 99.3 96 97 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.913 112.0 51.6 -63.4 -45.3 -36.2 43.7 102.1 97 98 A R H X S+ 0 0 94 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.896 113.7 44.2 -58.2 -42.6 -38.3 46.8 101.9 98 99 A T H X S+ 0 0 37 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.917 112.3 51.7 -70.3 -44.3 -41.5 44.8 102.2 99 100 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.929 112.2 44.8 -58.6 -50.3 -40.2 42.5 105.0 100 101 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.826 111.0 55.7 -65.1 -31.7 -39.1 45.5 107.1 101 102 A S H X S+ 0 0 60 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.917 110.9 43.2 -66.2 -44.2 -42.4 47.2 106.4 102 103 A V H X S+ 0 0 31 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.896 111.7 55.5 -67.6 -40.4 -44.3 44.2 107.7 103 104 A L H < S+ 0 0 31 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.889 111.7 43.2 -58.8 -43.2 -41.9 43.9 110.7 104 105 A G H >< S+ 0 0 4 -4,-2.1 3,-0.9 2,-0.2 -1,-0.2 0.914 111.5 54.1 -69.7 -42.9 -42.7 47.5 111.6 105 106 A A H 3< S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.2 39.5 -57.7 -48.3 -46.4 47.2 111.1 106 107 A N T 3< S+ 0 0 97 -4,-2.5 -1,-0.2 -5,-0.1 2,-0.2 0.446 87.6 123.5 -85.2 2.8 -46.8 44.2 113.4 107 108 A H X - 0 0 42 -3,-0.9 3,-1.4 -4,-0.3 4,-0.2 -0.437 62.2-139.2 -68.1 132.5 -44.4 45.4 116.0 108 109 A A T 3 S+ 0 0 103 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.829 103.7 35.9 -60.1 -32.6 -45.9 45.7 119.4 109 110 A R T > S+ 0 0 115 1,-0.2 3,-0.9 8,-0.1 -1,-0.3 -0.177 73.8 132.1-116.0 40.6 -44.1 49.0 120.0 110 111 A A T < S+ 0 0 8 -3,-1.4 94,-0.2 1,-0.2 95,-0.2 0.868 77.1 45.6 -57.4 -38.7 -44.3 50.6 116.5 111 112 A Q T 3 S+ 0 0 167 -3,-0.2 2,-0.6 -4,-0.2 -1,-0.2 0.538 92.0 91.9 -86.3 -5.7 -45.5 53.9 117.8 112 113 A D < + 0 0 45 -3,-0.9 -3,-0.1 1,-0.1 0, 0.0 -0.795 42.5 173.2 -95.4 122.8 -43.1 54.3 120.7 113 114 A S + 0 0 30 -2,-0.6 -1,-0.1 4,-0.1 -3,-0.0 0.055 29.1 137.0-113.2 20.9 -39.9 56.2 119.8 114 115 A S S > S- 0 0 41 1,-0.1 4,-3.0 4,-0.0 5,-0.3 -0.350 71.1-106.5 -66.1 150.4 -38.4 56.4 123.3 115 116 A P H > S+ 0 0 105 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.836 121.8 48.2 -45.9 -39.0 -34.6 55.6 123.4 116 117 A E H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.884 112.8 46.5 -70.4 -44.9 -35.3 52.2 125.0 117 118 A A H > S+ 0 0 1 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.913 114.1 47.8 -64.0 -46.6 -38.0 51.3 122.5 118 119 A N H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.839 111.1 50.5 -65.2 -35.8 -35.9 52.3 119.5 119 120 A L H X S+ 0 0 44 -4,-1.6 4,-2.8 -5,-0.3 5,-0.2 0.930 112.1 47.4 -67.9 -44.3 -32.8 50.5 120.8 120 121 A E H X S+ 0 0 56 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 115.4 45.5 -62.1 -43.9 -34.8 47.3 121.3 121 122 A K H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.901 113.2 51.2 -66.4 -39.3 -36.4 47.7 117.8 122 123 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.923 113.7 42.6 -62.9 -48.6 -33.0 48.4 116.3 123 124 A M H X S+ 0 0 34 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.857 114.8 49.6 -67.5 -39.5 -31.3 45.4 117.8 124 125 A S H X S+ 0 0 27 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.871 112.1 49.1 -67.8 -36.8 -34.2 43.1 117.0 125 126 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.921 109.9 50.8 -68.0 -43.7 -34.2 44.3 113.4 126 127 A L H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.892 112.6 48.2 -61.1 -39.1 -30.5 43.8 113.1 127 128 A A H < S+ 0 0 1 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.888 117.2 37.9 -69.5 -42.2 -30.8 40.3 114.4 128 129 A T H >X S+ 0 0 7 -4,-2.1 3,-1.3 1,-0.2 4,-0.7 0.725 95.9 80.0 -86.0 -22.8 -33.7 39.2 112.2 129 130 A F H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.3 3,-1.3 0.849 83.7 61.9 -55.1 -41.3 -32.8 40.9 108.9 130 131 A P H 3> S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.814 98.0 59.7 -57.0 -27.1 -30.2 38.3 107.8 131 132 A S H <> S+ 0 0 5 -3,-1.3 4,-1.7 -58,-0.3 -2,-0.2 0.792 103.1 52.2 -69.1 -28.8 -33.1 35.7 107.8 132 133 A V H S+ 0 0 32 -4,-2.3 5,-3.4 1,-0.2 3,-0.2 0.853 107.4 53.9 -63.9 -37.3 -32.7 30.3 98.8 139 140 A R H ><5S+ 0 0 22 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.866 106.7 52.8 -66.1 -34.3 -36.3 30.7 97.6 140 141 A R H 3<5S+ 0 0 48 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.778 108.0 51.7 -69.8 -26.1 -35.0 31.9 94.2 141 142 A R T 3<5S- 0 0 95 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.160 123.3-107.4 -93.1 13.8 -32.8 28.8 94.0 142 143 A G T < 5S+ 0 0 71 -3,-1.3 -3,-0.2 1,-0.2 2,-0.2 0.779 80.7 125.8 65.5 28.6 -35.8 26.6 94.8 143 144 A E < - 0 0 79 -5,-3.4 -1,-0.2 -6,-0.1 2,-0.2 -0.612 55.3-110.5-113.1 172.4 -34.6 25.9 98.3 144 145 A E - 0 0 161 -2,-0.2 -1,-0.0 1,-0.1 -6,-0.0 -0.633 37.6 -80.9-106.6 164.5 -36.1 26.2 101.7 145 146 A L - 0 0 44 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.261 36.1-148.7 -60.6 140.6 -35.6 28.4 104.8 146 147 A I - 0 0 30 15,-0.3 -11,-0.1 -15,-0.1 -12,-0.1 -0.975 18.8-126.6-115.1 122.3 -32.7 27.4 107.1 147 148 A E - 0 0 100 -2,-0.5 -73,-0.0 1,-0.1 0, 0.0 -0.271 29.7 -97.8 -67.9 153.0 -33.2 28.3 110.8 148 149 A P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.252 29.3-137.1 -66.8 157.7 -30.7 30.3 112.8 149 150 A R > - 0 0 62 4,-0.1 3,-2.0 1,-0.1 11,-0.1 -0.966 4.4-155.9-123.9 116.3 -28.1 28.7 115.0 150 151 A E T 3 S+ 0 0 120 -2,-0.5 -80,-0.1 1,-0.3 -1,-0.1 0.633 93.6 63.8 -64.0 -12.9 -27.4 30.1 118.4 151 152 A D T 3 S+ 0 0 101 2,-0.1 2,-0.4 -81,-0.1 -1,-0.3 0.530 93.9 75.8 -88.5 -3.9 -23.9 28.6 118.4 152 153 A L S < S- 0 0 11 -3,-2.0 -3,-0.1 -82,-0.1 0, 0.0 -0.844 79.8-126.4-109.4 141.7 -22.9 30.7 115.5 153 154 A D > - 0 0 50 -2,-0.4 4,-3.1 1,-0.1 5,-0.3 -0.165 43.2 -83.4 -75.0 178.1 -22.0 34.4 115.6 154 155 A Y H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.915 128.2 37.6 -46.8 -56.9 -23.7 37.0 113.4 155 156 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 118.0 47.5 -65.8 -46.2 -21.5 36.5 110.3 156 157 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 11,-0.3 0.889 115.5 47.2 -64.3 -38.5 -21.1 32.7 110.6 157 158 A N H X S+ 0 0 2 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.897 107.8 56.0 -69.5 -39.6 -24.9 32.4 111.1 158 159 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.969 112.8 41.1 -55.8 -53.7 -25.5 34.7 108.2 159 160 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 6,-0.4 0.848 114.2 55.0 -61.6 -38.2 -23.5 32.5 105.8 160 161 A W H X S+ 0 0 52 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.923 108.2 45.6 -62.0 -50.1 -25.0 29.3 107.5 161 162 A M H < S+ 0 0 1 -4,-2.9 -15,-0.3 2,-0.2 -1,-0.2 0.794 116.2 48.1 -65.7 -29.6 -28.7 30.3 106.9 162 163 A T H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.939 127.4 20.5 -76.8 -48.2 -27.9 31.3 103.3 163 164 A F H < S- 0 0 56 -4,-2.5 -2,-0.2 2,-0.3 -3,-0.2 0.607 90.8-129.0-101.9 -13.2 -25.9 28.2 102.2 164 165 A G S < S+ 0 0 30 -4,-2.7 2,-0.3 -5,-0.3 -4,-0.1 0.683 83.7 80.3 73.4 16.6 -26.9 25.5 104.7 165 166 A E S S- 0 0 145 -6,-0.4 -2,-0.3 -5,-0.2 -1,-0.2 -0.973 89.6-101.8-152.0 140.2 -23.3 24.7 105.4 166 167 A E - 0 0 103 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.427 39.5-126.2 -66.2 140.8 -20.9 26.5 107.7 167 168 A A - 0 0 32 -11,-0.3 -1,-0.1 1,-0.1 -7,-0.1 -0.375 29.4 -89.8 -84.1 164.6 -18.4 28.7 105.9 168 169 A A > - 0 0 29 1,-0.1 4,-2.3 -2,-0.1 3,-0.4 -0.353 38.5-110.5 -69.9 154.7 -14.6 28.6 106.3 169 170 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.887 120.2 51.7 -53.4 -41.8 -13.0 30.7 109.1 170 171 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.848 109.4 50.9 -64.1 -37.2 -11.5 33.0 106.4 171 172 A V H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.935 110.7 44.8 -69.1 -49.3 -14.9 33.5 104.8 172 173 A V H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.898 114.4 53.1 -63.8 -31.7 -16.8 34.4 107.9 173 174 A E H X S+ 0 0 128 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.916 109.9 45.2 -66.9 -45.8 -13.9 36.7 108.8 174 175 A A H X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.811 114.2 50.9 -68.1 -28.9 -14.0 38.5 105.4 175 176 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.889 108.0 51.9 -73.5 -39.7 -17.8 38.7 105.7 176 177 A N H X S+ 0 0 18 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.899 107.8 52.6 -61.8 -42.3 -17.4 40.2 109.2 177 178 A V H X S+ 0 0 16 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.899 107.5 51.3 -61.8 -41.4 -15.0 42.8 107.8 178 179 A S H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.834 107.6 53.0 -67.1 -31.6 -17.5 43.8 105.1 179 180 A M H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.903 110.8 47.0 -68.5 -40.7 -20.3 44.3 107.7 180 181 A I H < S+ 0 0 0 -4,-1.9 4,-0.4 1,-0.2 3,-0.3 0.880 112.1 49.7 -67.3 -40.1 -18.1 46.6 109.7 181 182 A L H < S+ 0 0 0 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.825 115.9 42.3 -69.7 -32.1 -17.0 48.6 106.7 182 183 A Y H < S+ 0 0 1 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.531 90.9 94.9 -90.0 -9.9 -20.6 49.1 105.5 183 184 A A S < S+ 0 0 0 -4,-0.8 164,-1.5 -3,-0.3 2,-0.3 0.835 92.4 0.8 -51.6 -46.0 -22.0 49.8 109.0 184 185 A E + 0 0 0 -4,-0.4 -1,-0.1 -3,-0.2 161,-0.0 -1.000 48.4 164.5-152.6 146.7 -22.0 53.6 109.1 185 186 A H - 0 0 9 1,-0.4 3,-0.4 -2,-0.3 6,-0.1 -0.171 45.4-109.9-163.3 60.7 -21.1 56.6 107.0 186 187 A S S S- 0 0 34 1,-0.2 2,-1.4 5,-0.1 -1,-0.4 -0.016 84.9 -10.7 48.8-143.4 -22.4 60.0 108.0 187 188 A F S S+ 0 0 50 4,-0.1 -1,-0.2 -173,-0.1 -174,-0.0 -0.357 80.7 155.1 -88.7 58.4 -25.2 61.7 106.0 188 189 A N > - 0 0 25 -2,-1.4 4,-3.1 -3,-0.4 5,-0.3 -0.317 61.5 -91.9 -73.3 168.3 -25.3 59.5 102.9 189 190 A A H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.868 125.0 43.8 -51.0 -47.2 -28.5 59.4 100.9 190 191 A S H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 116.7 45.9 -68.9 -40.2 -30.1 56.4 102.7 191 192 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.889 114.3 48.7 -69.3 -37.9 -29.0 57.6 106.2 192 193 A F H X S+ 0 0 41 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.868 107.9 54.5 -69.2 -35.3 -30.3 61.1 105.4 193 194 A T H X S+ 0 0 46 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.926 108.1 50.5 -61.8 -42.3 -33.6 59.7 104.1 194 195 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.877 111.1 48.2 -62.7 -39.1 -33.9 57.9 107.5 195 196 A R H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.858 110.1 51.1 -72.0 -33.9 -33.2 61.2 109.3 196 197 A V H < S+ 0 0 47 -4,-2.5 4,-0.4 2,-0.2 166,-0.4 0.924 111.9 47.2 -68.4 -42.7 -35.8 63.2 107.2 197 198 A I H ><>S+ 0 0 44 -4,-2.4 5,-1.2 1,-0.2 3,-0.9 0.906 114.9 47.0 -63.6 -39.4 -38.4 60.5 107.9 198 199 A T H ><5S+ 0 0 0 -4,-2.0 3,-2.5 1,-0.2 -2,-0.2 0.826 98.8 68.6 -70.3 -32.8 -37.5 60.7 111.6 199 200 A S T 3<5S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.626 96.0 56.4 -61.8 -14.6 -37.6 64.5 111.6 200 201 A T T < 5S- 0 0 91 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.494 121.1-112.8 -93.4 -8.6 -41.3 64.2 111.1 201 202 A L T < 5 + 0 0 122 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.617 67.4 148.4 78.8 20.5 -41.5 62.1 114.3 202 203 A A < - 0 0 28 -5,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.390 52.1 -84.6 -76.3 160.5 -42.5 59.0 112.3 203 204 A D > - 0 0 22 -2,-0.1 4,-2.0 -3,-0.1 3,-0.3 -0.107 32.1-105.6 -69.8 166.3 -41.3 55.6 113.7 204 205 A L H > S+ 0 0 1 1,-0.2 4,-2.6 -94,-0.2 5,-0.2 0.891 118.1 50.9 -54.8 -48.2 -38.0 53.7 113.3 205 206 A H H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.830 107.5 53.6 -63.5 -34.3 -39.4 51.1 110.8 206 207 A S H > S+ 0 0 51 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.923 111.4 47.3 -63.9 -43.7 -40.9 53.9 108.6 207 208 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.919 113.1 46.3 -63.2 -47.7 -37.4 55.5 108.5 208 209 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.910 109.2 55.6 -63.4 -41.5 -35.5 52.2 107.7 209 210 A T H X S+ 0 0 28 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.862 111.3 44.5 -60.4 -37.3 -38.1 51.3 105.0 210 211 A G H X S+ 0 0 26 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.887 111.1 53.3 -73.8 -39.2 -37.4 54.6 103.3 211 212 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.850 104.7 55.8 -63.0 -36.4 -33.7 54.3 103.7 212 213 A I H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.918 105.1 52.9 -62.7 -41.9 -33.8 50.8 102.1 213 214 A G H X S+ 0 0 34 -4,-1.3 4,-0.6 1,-0.2 -2,-0.2 0.915 111.9 45.2 -59.6 -42.0 -35.5 52.4 99.1 214 215 A A H >< S+ 0 0 28 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.893 108.2 56.0 -69.7 -40.5 -32.7 55.0 98.8 215 216 A L H 3< S+ 0 0 0 -4,-2.7 7,-1.0 1,-0.2 -1,-0.2 0.812 95.3 71.6 -63.1 -26.0 -29.9 52.4 99.3 216 217 A K H 3< S+ 0 0 65 -4,-1.6 -1,-0.2 5,-0.2 -2,-0.2 0.834 74.4 101.4 -59.2 -39.2 -31.3 50.5 96.3 217 218 A G S X<>S- 0 0 26 -3,-0.8 5,-2.0 -4,-0.6 3,-1.8 -0.106 78.4-124.3 -55.7 146.1 -30.2 52.9 93.6 218 219 A P T 3 5S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.690 112.6 58.2 -61.1 -21.6 -27.1 52.3 91.4 219 220 A L T 3 5S+ 0 0 136 3,-0.1 -2,-0.1 45,-0.1 -3,-0.1 0.623 119.9 25.7 -82.9 -15.2 -25.7 55.7 92.6 220 221 A H T X 5S- 0 0 35 -3,-1.8 3,-1.8 -6,-0.2 4,-0.2 0.160 136.4 -23.0-115.1-128.2 -25.9 54.5 96.2 221 222 A G T > 5S+ 0 0 0 1,-0.3 3,-1.8 -6,-0.2 4,-0.4 0.768 122.5 75.6 -61.1 -26.4 -25.8 51.0 97.6 222 223 A G T 3> S+ 0 0 5 -3,-1.8 4,-2.2 -6,-0.5 -1,-0.3 0.772 81.4 60.4 -66.9 -28.2 -23.4 50.2 93.0 224 225 A N H <> S+ 0 0 0 -3,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.885 109.0 42.3 -69.4 -33.2 -22.1 46.9 94.5 225 226 A E H > S+ 0 0 25 -4,-0.4 4,-2.1 -3,-0.2 -2,-0.2 0.867 113.5 53.5 -75.7 -38.8 -24.6 44.9 92.5 226 227 A A H X S+ 0 0 21 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.874 103.2 57.3 -63.4 -40.0 -23.8 47.0 89.4 227 228 A V H X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.930 110.8 42.6 -56.5 -47.9 -20.1 46.4 89.8 228 229 A M H X S+ 0 0 13 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.875 110.3 55.5 -69.2 -37.9 -20.6 42.7 89.6 229 230 A H H X S+ 0 0 62 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.869 107.3 52.3 -60.7 -37.2 -23.1 42.9 86.7 230 231 A T H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.896 107.2 50.3 -65.6 -41.8 -20.4 44.8 84.8 231 232 A F H < S+ 0 0 14 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 110.4 51.6 -67.0 -27.2 -17.9 42.1 85.4 232 233 A E H < S+ 0 0 98 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.843 105.8 54.1 -75.3 -37.0 -20.5 39.6 84.1 233 234 A E H < S+ 0 0 133 -4,-1.9 -2,-0.2 -5,-0.1 2,-0.2 0.969 106.7 56.6 -59.4 -56.0 -21.1 41.7 80.9 234 235 A I S < S- 0 0 12 -4,-2.1 2,-0.1 1,-0.1 15,-0.0 -0.538 114.5 -95.1 -71.8 142.6 -17.3 41.6 80.2 235 236 A G - 0 0 23 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.435 28.7-157.9 -65.7 133.9 -16.3 38.0 80.1 236 237 A I + 0 0 59 -4,-0.2 -1,-0.1 -2,-0.1 64,-0.1 0.967 39.6 151.1 -70.8 -57.0 -14.9 36.6 83.3 237 238 A R - 0 0 147 2,-0.1 2,-0.3 1,-0.1 59,-0.0 0.305 39.6-122.9 49.4 178.5 -12.9 33.7 81.7 238 239 A K S S+ 0 0 158 57,-0.0 2,-0.6 58,-0.0 3,-0.1 -0.945 82.7 30.4-150.1 155.2 -9.7 32.0 82.8 239 240 A D S S+ 0 0 111 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.090 78.5 131.2 84.9 -37.7 -6.3 31.5 81.1 240 241 A E - 0 0 53 -2,-0.6 -1,-0.2 1,-0.1 5,-0.1 -0.187 65.0-110.2 -49.6 134.8 -6.6 34.8 79.1 241 242 A S >> - 0 0 69 1,-0.1 3,-1.8 -3,-0.1 4,-1.1 -0.284 34.0 -97.9 -64.8 160.0 -3.4 36.8 79.4 242 243 A L H 3> S+ 0 0 80 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.711 126.1 69.0 -52.9 -17.2 -3.6 40.0 81.5 243 244 A D H 3>>S+ 0 0 67 2,-0.2 4,-3.0 3,-0.2 5,-0.5 0.926 95.8 50.8 -65.9 -46.5 -3.9 41.6 78.0 244 245 A E H <>5S+ 0 0 20 -3,-1.8 4,-2.8 2,-0.2 5,-0.3 0.985 115.3 42.2 -54.2 -60.0 -7.4 40.0 77.7 245 246 A A H X5S+ 0 0 11 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.918 121.8 37.6 -51.5 -60.1 -8.5 41.4 81.0 246 247 A A H X5S+ 0 0 46 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.867 119.1 46.5 -65.1 -40.8 -7.0 44.9 80.7 247 248 A T H X5S+ 0 0 64 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.926 119.4 41.6 -68.1 -43.9 -7.7 45.5 77.0 248 249 A R H X<>S+ 0 0 4 -4,-1.9 5,-2.5 2,-0.2 3,-0.5 0.930 113.9 49.1 -74.1 -44.6 -19.2 53.3 78.5 257 258 A L H ><5S+ 0 0 39 -4,-3.5 3,-1.5 1,-0.2 -2,-0.2 0.875 108.6 52.1 -62.2 -40.9 -17.2 56.6 78.9 258 259 A A H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.734 106.0 56.0 -68.5 -23.0 -17.7 57.6 75.3 259 260 A Q T <<5S- 0 0 127 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.180 119.6-111.9 -92.7 14.2 -21.5 57.1 75.8 260 261 A K T < 5 + 0 0 186 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.755 68.8 149.8 60.3 28.8 -21.4 59.5 78.7 261 262 A K < - 0 0 116 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.599 46.2-123.5 -90.6 152.7 -22.2 56.6 81.1 262 263 A K - 0 0 160 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.0 -0.716 17.7-133.7 -94.2 142.7 -21.0 56.4 84.7 263 264 A V > - 0 0 7 -2,-0.3 3,-0.8 3,-0.1 2,-0.1 -0.896 25.5-130.6 -98.8 115.6 -19.0 53.5 85.8 264 265 A M T 3 S+ 0 0 36 -2,-0.7 3,-0.1 1,-0.2 -45,-0.1 -0.369 86.9 40.8 -66.5 144.9 -20.3 52.1 89.1 265 266 A G T 3 S+ 0 0 2 1,-0.3 52,-2.5 2,-0.1 2,-0.4 0.484 98.4 94.3 95.9 6.0 -18.0 51.4 92.0 266 267 A F B < +C 316 0B 21 -3,-0.8 -1,-0.3 50,-0.3 -3,-0.1 -0.993 67.5 21.3-133.3 137.4 -16.0 54.6 91.3 267 268 A G - 0 0 30 48,-2.2 2,-0.3 -2,-0.4 -2,-0.1 0.037 54.6-145.0 93.9 158.9 -16.3 58.1 92.8 268 269 A H - 0 0 55 3,-0.3 6,-0.1 1,-0.1 47,-0.1 -0.973 20.9-129.7-161.5 145.4 -17.8 59.5 96.0 269 270 A R S S+ 0 0 147 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 0.858 110.7 19.7 -65.0 -37.6 -19.6 62.6 97.1 270 271 A V S S+ 0 0 62 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 0.882 109.1 75.1 -98.0 -57.5 -17.2 63.1 100.0 271 272 A Y + 0 0 10 1,-0.2 -3,-0.3 -4,-0.1 4,-0.1 -0.460 44.1 162.8 -64.3 117.0 -14.1 61.2 99.3 272 273 A K S S+ 0 0 136 -2,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.510 76.6 40.2-109.9 -9.4 -12.0 63.0 96.7 273 274 A N S S- 0 0 78 1,-0.5 2,-0.1 -250,-0.3 -2,-0.1 0.195 127.1 -52.3-124.1 13.0 -8.7 61.2 97.4 274 275 A G - 0 0 11 41,-0.1 -1,-0.5 -6,-0.1 2,-0.3 -0.308 63.1 -78.4 124.9 148.1 -9.8 57.6 97.9 275 276 A D > - 0 0 5 41,-0.7 3,-0.7 -2,-0.1 -252,-0.0 -0.647 28.3-140.8 -82.6 133.8 -12.2 55.7 100.0 276 277 A S T 3 S+ 0 0 4 -2,-0.3 4,-0.3 1,-0.2 -248,-0.2 0.700 103.8 46.0 -63.5 -23.4 -11.2 55.1 103.7 277 278 A R T 3> S+ 0 0 11 2,-0.1 4,-2.4 1,-0.1 -1,-0.2 0.563 90.1 84.2 -98.7 -12.4 -12.7 51.6 103.4 278 279 A V H <> S+ 0 0 20 -3,-0.7 4,-3.0 2,-0.2 5,-0.3 0.927 87.1 51.1 -59.2 -51.2 -11.2 50.5 100.1 279 280 A P H > S+ 0 0 88 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.908 115.0 45.1 -55.8 -39.4 -7.8 49.2 101.3 280 281 A T H > S+ 0 0 28 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.924 114.9 45.7 -70.1 -45.1 -9.5 47.1 103.9 281 282 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.859 111.4 53.5 -67.1 -34.7 -12.2 45.7 101.6 282 283 A K H X S+ 0 0 46 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.828 106.4 53.3 -66.9 -34.3 -9.6 45.0 98.9 283 284 A S H X S+ 0 0 76 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.848 109.9 47.4 -68.4 -36.0 -7.6 43.0 101.5 284 285 A A H X S+ 0 0 8 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.912 110.7 51.9 -71.2 -40.8 -10.7 41.0 102.2 285 286 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.916 109.8 49.7 -59.8 -43.4 -11.2 40.5 98.5 286 287 A D H X S+ 0 0 63 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.887 107.1 54.1 -62.9 -40.2 -7.6 39.3 98.2 287 288 A A H X S+ 0 0 41 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.893 112.1 45.3 -61.5 -38.3 -8.1 36.9 101.1 288 289 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.837 107.7 55.9 -74.9 -32.8 -11.1 35.5 99.2 289 290 A I H <>S+ 0 0 12 -4,-2.2 5,-2.7 2,-0.2 4,-0.3 0.939 114.4 41.9 -61.7 -45.1 -9.2 35.3 95.8 290 291 A K H ><5S+ 0 0 172 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.921 114.2 51.6 -66.6 -48.0 -6.6 33.2 97.6 291 292 A H H 3<5S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.912 119.3 33.2 -57.6 -51.9 -9.1 31.1 99.5 292 293 A Y T 3<5S- 0 0 80 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.386 109.2-125.6 -86.6 1.0 -11.3 30.1 96.5 293 294 A D T < 5 + 0 0 131 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.964 61.9 139.0 52.4 64.0 -8.1 30.1 94.4 294 295 A R > < + 0 0 74 -5,-2.7 3,-1.2 -6,-0.1 4,-0.3 -0.505 13.1 157.0-138.1 71.2 -9.4 32.5 91.7 295 296 A P T >> + 0 0 86 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.647 65.0 83.3 -67.5 -15.4 -6.8 35.0 90.5 296 297 A E H >> S+ 0 0 35 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.853 79.0 66.2 -56.4 -36.3 -8.7 35.4 87.3 297 298 A M H <> S+ 0 0 27 -3,-1.2 4,-2.0 1,-0.3 3,-0.5 0.874 92.8 59.9 -52.5 -46.3 -11.0 37.9 89.0 298 299 A L H <> S+ 0 0 39 -3,-0.7 4,-3.7 -4,-0.3 5,-0.5 0.752 91.5 68.6 -57.6 -29.3 -8.1 40.4 89.5 299 300 A G H S+ 0 0 5 -4,-1.7 4,-3.0 2,-0.2 6,-0.8 0.899 110.4 48.2 -71.7 -42.0 -10.6 54.6 85.3 309 310 A E H X5S+ 0 0 79 -4,-2.2 4,-1.5 4,-0.2 -2,-0.2 0.929 115.1 46.8 -62.8 -44.0 -7.7 56.3 87.0 310 311 A E H <5S+ 0 0 133 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.916 121.9 33.8 -64.7 -46.0 -6.0 56.9 83.6 311 312 A A H <5S+ 0 0 42 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.862 140.0 8.7 -82.9 -36.2 -9.2 58.2 81.9 312 313 A K H <5S- 0 0 112 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.429 83.8-125.8-127.7 -1.1 -10.9 60.1 84.7 313 314 A Q << + 0 0 136 -4,-1.5 2,-0.5 -5,-0.7 -4,-0.2 0.870 64.7 139.8 54.3 36.7 -8.6 60.3 87.7 314 315 A I - 0 0 54 -6,-0.8 -1,-0.2 -9,-0.1 -2,-0.2 -0.962 42.0-148.0-114.9 124.8 -11.4 58.7 89.8 315 316 A K - 0 0 90 -2,-0.5 -48,-2.2 1,-0.1 -41,-0.1 -0.544 26.6 -95.5 -90.5 156.6 -10.6 56.0 92.3 316 317 A P B -C 266 0B 16 0, 0.0 -41,-0.7 0, 0.0 -50,-0.3 -0.210 34.0-141.7 -67.3 157.3 -12.8 53.1 93.3 317 318 A N > - 0 0 16 -52,-2.5 3,-1.9 -43,-0.1 -49,-0.1 -0.620 39.3 -80.6-111.0 177.4 -15.2 53.2 96.3 318 319 A L T 3> S+ 0 0 2 1,-0.3 4,-1.7 -2,-0.2 5,-0.1 0.794 124.3 62.2 -47.6 -37.6 -16.1 50.5 98.8 319 320 A D H 3> S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.746 92.6 67.5 -64.5 -24.7 -18.6 48.8 96.4 320 321 A Y H <4 S+ 0 0 0 -3,-1.9 -1,-0.2 -55,-0.4 -2,-0.2 0.973 111.0 28.6 -62.9 -58.4 -15.9 48.1 93.9 321 322 A P H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.785 117.8 62.1 -74.7 -23.0 -14.0 45.5 96.0 322 323 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.905 95.8 56.7 -67.5 -44.8 -17.1 44.4 97.8 323 324 A G H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.940 109.3 44.0 -52.7 -56.0 -19.1 43.2 94.8 324 325 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.806 111.0 57.8 -60.4 -31.1 -16.4 40.6 93.7 325 326 A T H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.954 108.5 43.0 -64.9 -50.9 -16.0 39.5 97.4 326 327 A Y H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.3 0.789 111.8 57.0 -66.0 -28.7 -19.7 38.6 97.8 327 328 A N H ><5S+ 0 0 37 -4,-1.6 3,-1.5 -5,-0.3 -1,-0.2 0.943 106.7 47.1 -66.4 -47.8 -19.5 36.9 94.4 328 329 A L H 3<5S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.843 105.9 61.1 -61.2 -33.6 -16.7 34.6 95.4 329 330 A M T 3<5S- 0 0 9 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.592 121.9-107.1 -70.2 -12.2 -18.6 33.9 98.6 330 331 A G T < 5 + 0 0 30 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.2 0.496 69.3 143.1 100.7 3.3 -21.4 32.4 96.5 331 332 A F < - 0 0 5 -5,-2.1 -1,-0.3 1,-0.1 2,-0.2 -0.497 55.6-111.7 -76.7 147.8 -24.1 35.1 96.8 332 333 A D > - 0 0 41 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.582 28.7-117.8 -75.6 143.3 -26.2 35.9 93.7 333 334 A T G > S+ 0 0 5 1,-0.3 3,-1.7 -2,-0.2 4,-0.3 0.813 111.7 62.6 -52.4 -36.8 -25.5 39.3 92.4 334 335 A E G 3 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.667 98.6 59.6 -64.3 -18.0 -29.0 40.6 93.0 335 336 A M G <> S+ 0 0 1 -3,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.427 77.2 92.5 -90.4 -1.6 -28.4 40.0 96.7 336 337 A F H <> S+ 0 0 0 -3,-1.7 4,-0.9 1,-0.2 3,-0.2 0.884 85.5 46.8 -63.3 -41.7 -25.5 42.4 97.1 337 338 A T H >> S+ 0 0 0 -4,-0.3 4,-2.0 -3,-0.3 3,-0.5 0.879 106.8 57.2 -69.6 -37.4 -27.4 45.5 98.2 338 339 A P H 3> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.826 103.5 56.0 -61.3 -27.2 -29.5 43.6 100.7 339 340 A L H 3X S+ 0 0 0 -4,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.815 104.4 52.6 -70.0 -31.8 -26.2 42.5 102.3 340 341 A F H < S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.2 4,-0.4 0.928 114.6 55.6 -79.8 -48.8 -24.8 46.0 108.0 344 345 A R H 3X S+ 0 0 2 -4,-3.0 4,-3.1 1,-0.3 5,-0.2 0.587 83.9 85.3 -64.4 -11.2 -26.1 49.6 107.6 345 346 A I H 3X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.902 88.2 55.5 -57.1 -36.7 -29.1 48.9 109.8 346 347 A T H <> S+ 0 0 0 -3,-1.5 4,-1.7 -4,-0.3 -1,-0.2 0.934 111.9 39.2 -60.5 -53.4 -26.7 49.8 112.7 347 348 A G H > S+ 0 0 0 -164,-1.5 4,-2.1 -4,-0.4 5,-0.2 0.912 115.0 53.8 -65.6 -43.7 -25.7 53.2 111.3 348 349 A W H X S+ 0 0 0 -4,-3.1 4,-2.1 -165,-0.3 -2,-0.2 0.942 112.2 42.8 -55.1 -52.6 -29.3 54.0 110.1 349 350 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.814 110.1 56.1 -67.0 -31.3 -30.8 53.3 113.6 350 351 A A H X S+ 0 0 6 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.897 111.9 44.0 -67.0 -39.2 -28.1 55.1 115.5 351 352 A H H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.861 110.2 55.7 -71.7 -36.7 -28.8 58.2 113.3 352 353 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.959 111.9 42.9 -60.1 -47.5 -32.6 57.7 113.8 353 354 A M H X S+ 0 0 35 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.888 114.0 50.9 -66.8 -37.7 -32.1 57.7 117.5 354 355 A E H X S+ 0 0 40 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.919 110.5 50.0 -64.9 -42.3 -29.7 60.7 117.3 355 356 A Q H >< S+ 0 0 1 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.920 109.1 51.3 -61.1 -46.1 -32.3 62.6 115.2 356 357 A V H >< S+ 0 0 43 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.859 107.4 54.3 -59.8 -37.5 -35.1 61.8 117.7 357 358 A A H 3< S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.717 124.4 22.1 -71.5 -23.9 -33.0 63.1 120.6 358 359 A D T << S- 0 0 110 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.1 -0.500 93.2-180.0-143.6 67.2 -32.3 66.5 119.0 359 360 A N < + 0 0 56 -3,-0.7 2,-0.3 -161,-0.0 -3,-0.1 -0.370 22.1 158.9 -84.8 151.3 -35.1 67.0 116.5 360 361 A A - 0 0 63 -2,-0.1 -2,-0.1 -5,-0.1 -161,-0.1 -0.886 49.1-102.0-161.0 128.7 -36.0 69.7 114.0 361 362 A L - 0 0 109 -2,-0.3 2,-0.8 1,-0.1 -161,-0.1 -0.337 30.4-135.7 -57.8 135.3 -38.3 69.0 111.0 362 363 A I + 0 0 48 -166,-0.4 -1,-0.1 -167,-0.1 -163,-0.0 -0.884 48.3 139.3 -98.5 109.1 -36.3 68.7 107.8 363 364 A R - 0 0 176 -2,-0.8 2,-0.1 -164,-0.0 -2,-0.0 -0.775 27.0-172.6-154.9 97.3 -38.1 70.7 105.1 364 365 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.193 23.1-107.2 -81.8-176.7 -36.1 72.8 102.7 365 366 A L - 0 0 159 -2,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.684 20.5-147.4-110.7 166.1 -37.3 75.3 100.1 366 367 A S - 0 0 108 -2,-0.2 2,-0.6 -362,-0.0 -362,-0.0 -0.898 15.4-127.4-129.2 155.6 -37.5 75.1 96.3 367 368 A E - 0 0 69 -2,-0.3 2,-0.2 -365,-0.0 -363,-0.0 -0.948 30.0-126.2-107.1 121.1 -37.1 77.9 93.8 368 369 A Y + 0 0 160 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.449 40.9 157.7 -70.4 134.8 -40.0 78.1 91.4 369 370 A N + 0 0 153 -2,-0.2 -1,-0.1 2,-0.0 3,-0.1 0.001 44.0 106.4-141.0 24.7 -39.3 78.0 87.6 370 371 A G S S- 0 0 34 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.091 81.4 -37.1 -92.4-163.5 -42.6 76.7 86.3 371 372 A P - 0 0 67 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.272 68.2-112.2 -58.7 135.4 -45.5 78.4 84.5 372 373 A E - 0 0 81 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.303 57.7 -61.7 -65.8 155.5 -46.1 82.0 85.6 373 374 A Q + 0 0 185 1,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.084 65.2 179.8 -42.3 124.9 -49.4 82.6 87.5 374 375 A R - 0 0 194 -3,-0.1 2,-0.4 0, 0.0 -1,-0.0 -0.932 28.4-115.0-128.5 154.6 -52.4 81.8 85.2 375 376 A Q - 0 0 161 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.725 33.5-113.9 -91.6 137.6 -56.2 82.0 85.8 376 377 A V 0 0 134 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.562 360.0 360.0 -70.2 128.6 -58.1 78.8 85.7 377 378 A P 0 0 188 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.890 360.0 360.0 -65.7 360.0 -60.5 78.8 82.7