==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 30-SEP-09 3K2S . COMPND 2 MOLECULE: APOLIPOPROTEIN A-I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WU,V.GOGONEA,X.LEE,M.A.WAGNER,X.-M.LI,Y.HUANG,A.UNDURTI,R. . 486 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 70.0 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 . 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 . 19 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 4 1 0 2 3 0 3 1 1 1 0 0 1 0 0 1 2 0 0 0 0 0 0 1 0 0 1 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 . 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 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 D 0 0 125 0, 0.0 477,-0.2 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0-123.7 83.6 33.6 44.3 2 2 A E - 0 0 98 475,-0.3 475,-0.0 5,-0.1 0, 0.0 -0.659 360.0-132.1-103.5 124.1 82.1 36.9 43.4 3 3 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.141 50.9 -69.2 -44.7 167.5 82.6 40.6 44.6 4 4 A P S S- 0 0 141 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.502 105.3 -19.8 -44.6 -33.8 79.8 43.2 45.5 5 5 A Q S > S+ 0 0 169 0, 0.0 3,-0.7 0, 0.0 -3,-0.0 0.478 117.5 61.8-144.9 -68.9 78.1 44.1 42.1 6 6 A S T 3 S+ 0 0 125 1,-0.3 2,-1.2 2,-0.1 3,-0.3 0.868 103.2 53.5 -44.2 -52.2 79.8 43.6 38.7 7 7 A P T 3 + 0 0 36 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.252 66.7 133.2 -82.5 50.9 80.2 39.7 39.0 8 8 A W < + 0 0 199 -2,-1.2 3,-0.4 -3,-0.7 -2,-0.1 0.548 30.6 119.8 -72.0 -8.8 76.3 39.3 39.7 9 9 A D S S- 0 0 148 -3,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.708 98.1 -13.4 -26.0 -73.4 76.2 36.4 37.1 10 10 A R S > S+ 0 0 124 -3,-0.3 3,-0.8 1,-0.1 2,-0.5 0.022 104.3 120.0-127.0 23.6 75.0 33.4 39.2 11 11 A V T 3 S+ 0 0 39 -3,-0.4 -1,-0.1 1,-0.3 467,-0.0 -0.822 88.9 19.9-110.2 77.8 75.7 35.2 42.5 12 12 A K T 3 S+ 0 0 51 -2,-0.5 -1,-0.3 -3,-0.1 4,-0.3 0.412 72.5 108.1-151.9 131.0 72.7 34.8 43.0 13 13 A D S X S+ 0 0 84 -3,-0.8 3,-0.8 2,-0.1 2,-0.3 0.818 99.9 53.4 -91.6 -49.2 70.0 32.4 41.5 14 14 A L T 3 S+ 0 0 37 -4,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.047 90.3 86.1 -69.5 31.8 70.0 30.5 44.9 15 15 A A T > S+ 0 0 8 -2,-0.3 3,-3.3 -3,-0.1 4,-0.3 0.878 76.0 62.1 -82.0 -58.0 69.4 34.0 46.5 16 16 A T T <> S+ 0 0 102 -3,-0.8 4,-0.6 1,-0.3 3,-0.3 0.478 91.6 65.5 -58.4 -5.8 65.5 33.8 46.0 17 17 A V H 3> S+ 0 0 54 2,-0.2 4,-1.1 -4,-0.2 -1,-0.3 0.662 87.4 70.4 -86.1 -17.0 65.2 30.8 48.4 18 18 A Y H <> S+ 0 0 145 -3,-3.3 4,-0.5 2,-0.2 -2,-0.2 0.628 100.5 46.9 -71.6 -13.6 66.4 33.0 51.3 19 19 A V H > S+ 0 0 79 -4,-0.3 4,-2.9 -3,-0.3 -1,-0.2 0.776 101.9 63.5 -88.2 -34.3 63.0 34.8 51.0 20 20 A D H X S+ 0 0 59 -4,-0.6 4,-1.9 1,-0.2 -2,-0.2 0.784 95.5 63.7 -58.7 -28.6 61.3 31.3 50.9 21 21 A V H < S+ 0 0 31 -4,-1.1 4,-0.5 2,-0.2 -1,-0.2 0.978 113.4 29.5 -44.0 -69.1 62.8 31.0 54.5 22 22 A L H >X S+ 0 0 143 -4,-0.5 3,-0.8 -3,-0.2 4,-0.7 0.929 121.3 54.0 -67.2 -49.2 60.6 33.9 55.8 23 23 A K H >< S+ 0 0 128 -4,-2.9 3,-1.4 1,-0.2 4,-0.5 0.907 104.9 49.6 -51.0 -59.1 57.6 33.3 53.4 24 24 A D T 3< S+ 0 0 32 -4,-1.9 4,-0.2 1,-0.3 -1,-0.2 0.492 94.6 71.5 -82.7 4.2 56.9 29.6 54.0 25 25 A S T X> S+ 0 0 28 -3,-0.8 4,-3.0 -4,-0.5 3,-0.8 0.875 104.1 45.4 -65.3 -35.6 56.8 30.1 57.9 26 26 A G T << S+ 0 0 38 -3,-1.4 4,-0.3 -4,-0.7 -2,-0.2 0.598 103.9 61.4 -89.1 -9.2 53.5 31.9 57.0 27 27 A R T 34 S+ 0 0 108 -4,-0.5 -1,-0.2 437,-0.1 -2,-0.2 0.597 120.4 26.3 -75.8 -16.2 52.5 29.0 54.6 28 28 A D T X4 S+ 0 0 20 -3,-0.8 3,-1.6 -4,-0.2 4,-0.5 0.715 104.4 68.4-127.4 -34.0 52.5 26.7 57.7 29 29 A Y G >< S+ 0 0 141 -4,-3.0 3,-0.9 1,-0.3 4,-0.3 0.806 93.0 70.0 -63.0 -23.5 51.9 28.7 61.0 30 30 A V G 3 S+ 0 0 78 -4,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.810 102.7 41.7 -52.3 -37.1 48.3 29.1 59.5 31 31 A S G < S+ 0 0 55 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.521 116.0 54.3 -84.6 -9.1 47.9 25.3 60.2 32 32 A Q S < S+ 0 0 55 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.109 86.5 68.0-131.8 22.5 49.6 25.6 63.6 33 33 A F S > S+ 0 0 136 -4,-0.3 4,-0.8 -3,-0.3 -1,-0.1 0.397 90.2 76.0-100.6 -3.9 47.8 28.4 65.6 34 34 A E T 4 S+ 0 0 139 -5,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.822 95.0 41.9 -68.6 -37.0 44.8 25.8 65.7 35 35 A G T 4 S+ 0 0 22 2,-0.2 4,-0.2 -4,-0.1 -1,-0.2 0.533 105.9 56.4-106.8 -9.8 46.2 23.4 68.4 36 36 A S T >4 S+ 0 0 28 2,-0.1 3,-1.5 1,-0.1 4,-0.2 0.897 106.5 53.2 -78.6 -46.6 47.8 25.7 71.1 37 37 A A G >< S+ 0 0 67 -4,-0.8 3,-1.1 1,-0.2 -2,-0.2 0.778 96.1 70.8 -54.6 -31.8 44.3 27.5 71.5 38 38 A L G 3 S+ 0 0 151 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.711 103.2 38.9 -60.4 -25.9 42.6 24.1 72.0 39 39 A G G < S+ 0 0 31 -3,-1.5 2,-0.8 -4,-0.2 415,-0.2 0.303 78.4 143.0-111.3 5.5 44.2 23.5 75.6 40 40 A K < + 0 0 112 -3,-1.1 2,-0.2 -4,-0.2 -3,-0.0 -0.428 29.6 92.6 -72.0 100.7 44.1 27.1 77.1 41 41 A Q - 0 0 172 -2,-0.8 2,-0.3 0, 0.0 -2,-0.0 -0.855 48.5-167.8-154.8 176.8 43.3 27.1 80.9 42 42 A L - 0 0 68 -2,-0.2 410,-0.1 411,-0.1 3,-0.0 -0.994 40.7-140.7-163.3 177.7 45.7 27.2 83.9 43 43 A N + 0 0 135 -2,-0.3 -1,-0.1 1,-0.1 409,-0.0 0.068 60.6 139.1-118.2 10.5 46.5 26.9 87.7 44 44 A L - 0 0 109 1,-0.1 4,-0.2 407,-0.1 3,-0.1 0.687 35.3-159.1 -26.3 -85.0 49.0 29.9 87.5 45 45 A K - 0 0 131 1,-0.1 4,-0.2 2,-0.1 -1,-0.1 -0.043 28.1-112.3 96.2 162.7 49.0 32.5 90.4 46 46 A L S S+ 0 0 132 2,-0.1 -1,-0.1 -2,-0.1 4,-0.0 -0.023 103.6 63.3-111.0 19.4 50.1 36.1 90.9 47 47 A L S > S+ 0 0 140 -3,-0.1 3,-0.9 2,-0.1 4,-0.2 0.757 89.2 57.5-113.3 -46.4 53.0 35.3 93.3 48 48 A D T >> S+ 0 0 65 1,-0.2 4,-1.0 -4,-0.2 3,-1.0 0.774 99.3 62.0 -64.0 -32.7 55.6 33.1 91.5 49 49 A N H 3> S+ 0 0 40 1,-0.2 4,-3.1 -4,-0.2 -1,-0.2 0.812 92.1 66.3 -58.1 -36.1 56.2 35.7 88.7 50 50 A W H <> S+ 0 0 164 -3,-0.9 4,-0.6 2,-0.2 -1,-0.2 0.511 96.9 54.0 -77.2 -6.4 57.5 38.3 91.3 51 51 A D H <> S+ 0 0 131 -3,-1.0 4,-2.1 -4,-0.2 -1,-0.2 0.906 115.2 40.2 -77.1 -58.2 60.6 36.1 92.0 52 52 A S H X S+ 0 0 9 -4,-1.0 4,-2.7 1,-0.2 -2,-0.2 0.934 118.1 46.8 -50.0 -58.5 61.5 36.0 88.2 53 53 A V H X S+ 0 0 60 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.823 110.3 53.0 -59.7 -38.5 60.5 39.8 87.7 54 54 A T H X S+ 0 0 94 -4,-0.6 4,-1.8 -5,-0.2 -1,-0.2 0.933 115.2 40.5 -65.4 -46.4 62.5 41.0 90.8 55 55 A S H X S+ 0 0 43 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 115.3 52.4 -62.1 -43.4 65.7 39.1 89.5 56 56 A T H < S+ 0 0 18 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.758 109.3 48.8 -70.2 -28.8 64.9 40.3 85.9 57 57 A F H >X S+ 0 0 154 -4,-2.0 3,-1.0 -5,-0.2 4,-0.9 0.845 109.5 51.8 -76.3 -37.2 64.7 44.0 87.1 58 58 A S H 3X S+ 0 0 48 -4,-1.8 4,-1.4 1,-0.3 2,-0.5 0.930 99.5 68.6 -54.2 -43.7 68.0 43.4 89.0 59 59 A K H 3< S+ 0 0 59 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.018 94.3 55.1 -72.8 28.4 69.1 42.2 85.5 60 60 A L H <> S+ 0 0 84 -3,-1.0 4,-1.6 -2,-0.5 -1,-0.2 0.553 105.8 49.0-108.3 -52.9 68.9 45.8 84.1 61 61 A R H X S+ 0 0 190 -4,-0.9 4,-2.1 -3,-0.3 -2,-0.2 0.816 107.1 55.5 -51.8 -43.4 71.2 47.4 86.8 62 62 A E H < S+ 0 0 70 -4,-1.4 -1,-0.2 1,-0.2 -3,-0.1 0.929 116.4 31.1 -64.9 -52.2 74.1 44.9 86.4 63 63 A Q H > S+ 0 0 78 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.549 112.5 63.4 -91.6 -6.1 74.8 45.1 82.6 64 64 A L H X S+ 0 0 94 -4,-1.6 4,-3.2 3,-0.1 5,-0.3 0.949 94.8 69.9 -63.9 -51.5 73.8 48.8 82.5 65 65 A G H X S+ 0 0 33 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.755 108.7 26.3 -17.0 -73.2 76.9 49.1 84.9 66 66 A P H 4 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.820 120.2 56.5 -75.8 -33.7 79.7 48.4 82.3 67 67 A V H >X S+ 0 0 32 -4,-1.0 4,-1.6 1,-0.2 3,-1.4 0.869 104.5 54.3 -66.5 -36.5 77.7 49.6 79.2 68 68 A T H 3< S+ 0 0 95 -4,-3.2 -1,-0.2 1,-0.3 -3,-0.2 0.898 108.7 49.0 -57.7 -41.7 77.3 53.0 81.1 69 69 A Q T 3< S+ 0 0 163 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.241 112.5 52.9 -82.3 13.5 81.1 53.0 81.4 70 70 A E T <> S+ 0 0 62 -3,-1.4 2,-1.8 2,-0.1 4,-1.7 0.790 95.7 53.6-115.9 -63.0 81.4 52.2 77.6 71 71 A F T < S+ 0 0 79 -4,-1.6 -2,-0.1 2,-0.2 -1,-0.1 -0.137 107.5 57.7 -79.3 47.2 79.4 54.7 75.3 72 72 A W T >> S+ 0 0 220 -2,-1.8 3,-1.9 -3,-0.1 4,-0.8 0.421 106.3 43.0-125.6 -70.2 81.2 57.6 77.0 73 73 A D H 3> S+ 0 0 135 1,-0.3 4,-0.8 -4,-0.2 3,-0.4 0.793 112.1 59.9 -36.7 -44.7 84.9 56.6 76.2 74 74 A N H 3< S+ 0 0 3 -4,-1.7 -1,-0.3 1,-0.2 -3,-0.1 0.674 101.5 49.9 -61.5 -31.7 83.7 55.7 72.6 75 75 A L H <> S+ 0 0 57 -3,-1.9 4,-2.6 2,-0.2 3,-0.5 0.601 94.1 68.9-102.8 -8.6 82.4 59.2 71.6 76 76 A E H X S+ 0 0 87 -4,-0.8 4,-3.5 -3,-0.4 5,-0.4 0.923 96.4 57.4 -69.9 -38.0 85.5 61.4 72.6 77 77 A K H < S+ 0 0 98 -4,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.567 109.6 46.2 -70.7 -6.2 87.3 59.6 69.7 78 78 A E H > S+ 0 0 10 -3,-0.5 4,-3.2 3,-0.1 3,-0.3 0.846 116.7 42.0 -84.6 -56.5 84.4 61.0 67.5 79 79 A T H X S+ 0 0 56 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.818 115.3 49.6 -63.5 -32.8 84.6 64.6 69.1 80 80 A E H X S+ 0 0 74 -4,-3.5 4,-0.5 2,-0.2 -1,-0.2 0.822 115.1 46.0 -69.7 -33.8 88.5 64.7 69.1 81 81 A G H >> S+ 0 0 18 -5,-0.4 4,-3.4 -3,-0.3 3,-1.5 0.992 114.4 48.1 -65.9 -62.4 88.2 63.6 65.4 82 82 A L H 3X S+ 0 0 63 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.847 108.9 52.5 -36.9 -56.3 85.5 66.3 64.8 83 83 A R H 3< S+ 0 0 125 -4,-3.1 -1,-0.2 2,-0.2 4,-0.2 0.631 118.7 36.8 -71.1 -11.2 87.5 69.1 66.5 84 84 A Q H XX S+ 0 0 126 -3,-1.5 3,-1.0 -4,-0.5 4,-0.5 0.764 115.3 52.6 -98.8 -39.6 90.5 68.3 64.3 85 85 A E H 3X S+ 0 0 113 -4,-3.4 4,-2.7 1,-0.2 5,-0.2 0.659 91.3 81.6 -70.5 -14.9 88.4 67.5 61.1 86 86 A M H 3X S+ 0 0 104 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.909 92.9 46.6 -46.8 -49.0 86.8 71.0 61.8 87 87 A S H <> S+ 0 0 91 -3,-1.0 4,-0.5 2,-0.2 -1,-0.2 0.758 111.4 52.6 -70.2 -27.8 89.8 72.5 60.0 88 88 A K H >X S+ 0 0 113 -4,-0.5 4,-2.0 2,-0.2 3,-0.8 0.920 107.0 49.3 -76.1 -45.4 89.5 70.0 57.1 89 89 A D H 3X S+ 0 0 60 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.868 102.9 62.4 -64.5 -32.6 85.8 70.6 56.3 90 90 A L H 3< S+ 0 0 133 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.2 0.777 113.9 34.4 -63.6 -26.5 86.3 74.4 56.2 91 91 A E H X S+ 0 0 71 -4,-2.5 4,-2.6 2,-0.2 3,-1.4 0.844 108.4 58.4 -74.0 -31.2 83.5 73.1 51.3 94 94 A K H 3> S+ 0 0 132 -4,-0.4 4,-1.3 -5,-0.3 -2,-0.2 0.923 98.8 59.8 -60.8 -43.0 85.6 76.0 49.8 95 95 A A H 3< S+ 0 0 61 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.461 113.8 37.8 -63.8 -3.7 86.8 73.4 47.1 96 96 A K H <> S+ 0 0 100 -3,-1.4 4,-1.0 2,-0.1 -2,-0.2 0.669 105.0 69.4-111.4 -40.6 83.0 73.1 46.2 97 97 A V H < S+ 0 0 86 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.862 104.8 35.6 -43.1 -60.9 81.9 76.8 46.7 98 98 A Q T >< S+ 0 0 146 -4,-1.3 3,-1.4 1,-0.2 -1,-0.2 0.918 110.6 59.6 -75.3 -42.4 83.8 78.5 43.6 99 99 A P T >4 S+ 0 0 91 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.704 91.3 72.1 -51.1 -26.7 83.4 75.5 41.0 100 100 A Y T >X + 0 0 108 -4,-1.0 3,-1.9 -3,-0.4 4,-1.2 0.524 63.0 112.0 -68.3 -9.7 79.5 75.7 41.2 101 101 A L H <> + 0 0 103 -3,-1.4 4,-2.5 1,-0.3 5,-0.2 0.723 69.2 56.6 -42.5 -45.5 79.4 79.1 39.3 102 102 A D H <> S+ 0 0 134 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.839 110.1 47.1 -52.4 -42.1 77.7 77.7 36.1 103 103 A D H <> S+ 0 0 71 -3,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.945 114.2 43.6 -67.9 -54.2 74.7 76.4 38.2 104 104 A F H X S+ 0 0 100 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.797 114.5 51.5 -75.3 -19.6 74.1 79.6 40.3 105 105 A Q H X S+ 0 0 82 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.886 111.0 47.9 -71.1 -42.0 74.5 81.7 37.1 106 106 A K H X S+ 0 0 76 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.900 113.5 47.6 -64.4 -37.7 71.9 79.4 35.4 107 107 A K H < S+ 0 0 20 -4,-2.7 4,-0.2 2,-0.2 -2,-0.2 0.912 112.2 49.6 -67.3 -42.7 69.6 79.8 38.6 108 108 A W H >X S+ 0 0 163 -4,-1.9 4,-3.5 2,-0.2 3,-1.0 0.923 113.7 46.3 -55.3 -47.6 70.2 83.7 38.5 109 109 A Q H 3X>S+ 0 0 111 -4,-2.7 4,-0.9 1,-0.2 5,-0.7 0.901 110.0 53.1 -63.8 -40.0 69.3 83.6 34.7 110 110 A E H 3<5S+ 0 0 66 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.453 121.9 33.0 -71.3 -2.1 66.2 81.4 35.5 111 111 A E H <45S+ 0 0 36 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.2 0.688 125.6 35.1-120.0 -44.9 65.2 84.1 38.1 112 112 A M H >X5S+ 0 0 94 -4,-3.5 4,-1.7 2,-0.2 3,-1.0 0.920 122.0 41.8 -85.5 -47.4 66.4 87.5 36.6 113 113 A E H 3X5S+ 0 0 84 -4,-0.9 4,-0.9 -5,-0.4 -3,-0.2 0.813 119.7 48.2 -70.4 -28.1 65.8 87.0 32.8 114 114 A L H 34 S+ 0 0 101 -3,-1.0 4,-1.4 2,-0.1 3,-1.3 0.867 106.6 42.8 -87.2 -53.9 61.6 88.2 36.1 116 116 A R H 3X S+ 0 0 113 -4,-1.7 4,-3.3 1,-0.2 -2,-0.2 0.803 101.4 71.9 -63.4 -28.9 61.6 90.9 33.4 117 117 A Q H 3< S+ 0 0 95 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.718 106.5 37.0 -55.1 -30.4 59.7 88.5 31.0 118 118 A K H <> S+ 0 0 14 -3,-1.3 4,-1.9 2,-0.1 -1,-0.2 0.854 119.8 46.3 -88.9 -45.0 56.5 89.1 33.1 119 119 A V H X S+ 0 0 80 -4,-1.4 4,-3.0 1,-0.2 5,-0.2 0.843 100.8 66.7 -71.7 -37.6 57.1 92.8 33.9 120 120 A E H < S+ 0 0 86 -4,-3.3 4,-0.4 2,-0.2 -1,-0.2 0.839 114.4 29.4 -56.4 -42.0 57.9 93.9 30.3 121 121 A P H >> S+ 0 0 55 0, 0.0 4,-2.7 0, 0.0 3,-0.7 0.894 118.7 57.9 -76.4 -45.0 54.4 93.1 29.0 122 122 A L H 3X S+ 0 0 20 -4,-1.9 4,-1.7 1,-0.2 5,-0.2 0.828 99.3 58.1 -58.8 -35.8 52.7 93.9 32.5 123 123 A R H 3X S+ 0 0 139 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.900 116.0 36.1 -52.0 -44.4 54.1 97.5 32.6 124 124 A A H <> S+ 0 0 29 -3,-0.7 4,-3.0 -4,-0.4 5,-0.3 0.854 112.9 56.0 -84.8 -39.7 52.3 98.3 29.2 125 125 A E H < S+ 0 0 89 -4,-2.7 4,-0.2 2,-0.2 -2,-0.2 0.746 115.4 41.7 -69.6 -19.6 49.2 96.1 29.9 126 126 A L H X S+ 0 0 106 -4,-1.7 4,-2.8 -5,-0.2 3,-0.3 0.903 117.7 45.7 -81.4 -53.3 48.8 98.3 33.1 127 127 A Q H < S+ 0 0 107 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.888 116.4 43.8 -55.5 -46.1 49.7 101.7 31.4 128 128 A E T < S+ 0 0 99 -4,-3.0 -1,-0.2 1,-0.2 -3,-0.2 0.727 119.5 43.5 -78.0 -21.7 47.5 101.2 28.2 129 129 A G T >4 S+ 0 0 12 -5,-0.3 3,-1.3 -3,-0.3 4,-0.3 0.818 101.1 67.9 -92.8 -35.9 44.5 99.9 30.4 130 130 A A T >X S+ 0 0 39 -4,-2.8 4,-2.4 1,-0.2 3,-0.6 0.573 78.6 82.5 -61.9 -11.6 44.9 102.6 33.1 131 131 A R H 3> S+ 0 0 123 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.877 88.4 54.3 -60.6 -34.9 43.7 105.3 30.6 132 132 A Q H <> S+ 0 0 41 -3,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.755 112.0 44.6 -66.2 -25.3 40.1 104.2 31.4 133 133 A K H <> S+ 0 0 53 -3,-0.6 4,-0.8 -4,-0.3 -2,-0.2 0.744 105.1 59.3 -93.8 -24.9 41.0 104.9 35.1 134 134 A L H >X S+ 0 0 103 -4,-2.4 4,-3.3 2,-0.2 3,-0.8 0.933 107.2 48.9 -61.1 -41.1 42.7 108.2 34.2 135 135 A H H 3X S+ 0 0 96 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.848 104.1 60.0 -62.4 -32.8 39.2 109.1 32.8 136 136 A E H 3< S+ 0 0 28 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.674 117.4 31.6 -65.0 -21.9 37.8 107.8 36.3 137 137 A L H XX S+ 0 0 105 -3,-0.8 4,-2.5 -4,-0.8 3,-1.8 0.837 119.8 49.9 -94.6 -54.6 40.0 110.5 37.9 138 138 A Q H 3< S+ 0 0 110 -4,-3.3 4,-0.4 1,-0.3 -3,-0.2 0.718 118.2 39.2 -59.6 -31.9 39.9 113.3 35.2 139 139 A E T 3< S+ 0 0 89 -4,-1.9 -1,-0.3 -5,-0.2 -3,-0.1 0.002 118.0 50.8-111.8 25.3 36.1 113.2 34.8 140 140 A K T <> S+ 0 0 33 -3,-1.8 4,-1.6 3,-0.1 -2,-0.2 0.632 101.7 54.5-115.2 -53.1 35.5 112.8 38.6 141 141 A L H X S+ 0 0 113 -4,-2.5 4,-2.2 2,-0.2 3,-0.2 0.886 110.9 42.7 -54.2 -50.3 37.5 115.6 40.3 142 142 A S H > S+ 0 0 76 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.899 112.7 52.3 -69.7 -40.3 36.0 118.7 38.4 143 143 A P H 4 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.744 110.9 48.3 -70.1 -17.3 32.4 117.4 38.6 144 144 A L H >X S+ 0 0 38 -4,-1.6 3,-2.4 -3,-0.2 4,-1.9 0.963 104.7 64.9 -67.7 -56.2 32.8 117.0 42.4 145 145 A G H 3X S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.681 87.5 65.4 -19.2 -56.4 34.3 120.6 42.3 146 146 A E H 3< S+ 0 0 109 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.603 116.8 26.9 -61.1 -18.9 31.1 122.4 41.2 147 147 A E H X> S+ 0 0 60 -3,-2.4 4,-2.6 -4,-0.2 3,-0.6 0.677 115.8 62.7-108.1 -36.9 29.3 121.5 44.5 148 148 A M H 3< S+ 0 0 89 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.802 99.4 56.7 -56.7 -33.4 32.5 121.3 46.7 149 149 A R T 3< S+ 0 0 154 -4,-2.5 3,-0.5 2,-0.2 -1,-0.2 0.814 111.1 41.1 -69.6 -34.1 33.2 125.0 46.0 150 150 A D T X> S+ 0 0 83 -3,-0.6 4,-3.2 -5,-0.2 3,-1.9 0.866 107.3 63.7 -81.2 -33.7 29.7 126.1 47.4 151 151 A R T 3< S+ 0 0 130 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.376 97.6 58.5 -69.4 5.4 30.3 123.5 50.2 152 152 A A T 34 S+ 0 0 65 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.614 124.4 16.6 -95.2 -20.7 33.3 125.8 51.2 153 153 A R T X4 S+ 0 0 130 -3,-1.9 3,-1.2 -4,-0.2 -2,-0.2 0.761 104.4 77.4-117.6 -48.2 31.0 128.9 51.7 154 154 A A T 3< S+ 0 0 34 -4,-3.2 -3,-0.1 1,-0.4 -4,-0.0 0.433 101.3 51.4 -33.7 -42.5 27.2 127.9 52.0 155 155 A H T 3 S+ 0 0 58 -5,-0.1 -1,-0.4 196,-0.1 2,-0.3 -0.821 80.0 99.2 115.2 -11.8 28.0 127.0 55.2 156 156 A V S < S- 0 0 80 -3,-1.2 3,-0.0 1,-0.4 -4,-0.0 -0.799 83.0 -66.3-142.8 95.5 29.9 129.9 57.0 157 157 A D - 0 0 111 -2,-0.3 -1,-0.4 1,-0.2 0, 0.0 0.279 46.4 -96.1 64.9 176.3 27.8 132.2 59.4 158 158 A A - 0 0 76 -3,-0.1 3,-0.3 3,-0.0 -1,-0.2 0.251 69.3 -99.5 -95.4 -2.4 25.0 134.7 58.7 159 159 A L - 0 0 125 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.750 59.4 -82.8 76.7 33.0 27.9 137.3 58.8 160 160 A R - 0 0 148 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.736 61.0-149.6 42.7 41.5 26.8 138.0 62.4 161 161 A T - 0 0 103 -3,-0.3 2,-0.4 1,-0.1 -1,-0.2 -0.090 7.2-151.2 -45.6 108.4 24.1 140.5 61.1 162 162 A H - 0 0 77 -3,-0.2 -1,-0.1 1,-0.1 6,-0.0 -0.730 16.4-168.9 -89.7 128.5 23.5 143.3 63.7 163 163 A L S S+ 0 0 171 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.594 79.9 26.1 -90.1 -11.7 20.0 144.9 64.0 164 164 A A S > S- 0 0 50 1,-0.1 3,-0.9 0, 0.0 -1,-0.2 -0.987 78.4-120.3-146.8 147.5 21.4 147.8 66.3 165 165 A P G > S+ 0 0 116 0, 0.0 3,-0.6 0, 0.0 2,-0.2 0.800 111.0 62.8 -52.5 -33.7 24.9 149.4 66.8 166 166 A Y G 3 S+ 0 0 217 1,-0.2 -3,-0.0 3,-0.1 3,-0.0 -0.100 72.1 100.5 -90.4 34.7 24.7 148.3 70.5 167 167 A S G < S+ 0 0 63 -3,-0.9 2,-0.3 -2,-0.2 -1,-0.2 0.398 81.2 47.5-113.2 2.3 24.7 144.5 69.7 168 168 A D S < S- 0 0 58 -3,-0.6 2,-0.4 -4,-0.1 -6,-0.0 -0.920 70.3-155.4-106.2 158.1 28.4 144.0 70.4 169 169 A E + 0 0 144 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.982 40.4 150.1-116.1 117.1 29.9 145.4 73.6 170 170 A L - 0 0 134 -2,-0.4 2,-0.3 2,-0.0 -2,-0.1 -0.898 29.1-162.4-144.3 163.6 33.6 145.8 72.5 171 171 A R - 0 0 168 -2,-0.3 2,-0.4 0, 0.0 -2,-0.0 -0.981 12.2-139.1-153.9 150.2 36.7 148.0 73.2 172 172 A Q + 0 0 160 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.959 38.4 133.4-123.6 137.0 40.1 148.8 71.5 173 173 A R + 0 0 131 -2,-0.4 -1,-0.1 1,-0.0 5,-0.1 0.022 8.7 153.6-143.4-123.8 43.4 149.1 73.4 174 174 A L >> + 0 0 92 3,-0.1 4,-2.5 -2,-0.1 3,-2.4 0.610 16.9 154.8 84.4 20.3 46.9 147.6 72.7 175 175 A A H 3> + 0 0 48 1,-0.3 4,-1.6 2,-0.2 5,-0.5 0.693 57.9 87.0 -43.0 -30.2 49.0 150.4 74.5 176 176 A A H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.1 142,-0.1 0.753 118.2 1.4 -39.6 -41.3 51.6 147.6 74.8 177 177 A R H <> S+ 0 0 209 -3,-2.4 4,-3.2 3,-0.1 3,-0.3 0.632 122.3 77.2-115.0 -36.6 52.9 148.7 71.3 178 178 A L H X S+ 0 0 88 -4,-2.5 4,-1.6 1,-0.2 -3,-0.2 0.763 98.4 46.3 -47.7 -38.0 50.4 151.7 70.5 179 179 A E H X S+ 0 0 101 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.947 118.1 39.9 -71.0 -49.4 52.4 154.0 72.9 180 180 A A H > S+ 0 0 37 -5,-0.5 4,-2.9 -3,-0.3 -2,-0.2 0.851 113.7 57.7 -67.6 -33.9 55.9 153.1 71.6 181 181 A L H X S+ 0 0 107 -4,-3.2 4,-0.6 2,-0.2 -2,-0.2 0.856 105.1 49.6 -58.1 -43.3 54.3 153.0 68.0 182 182 A K H X S+ 0 0 104 -4,-1.6 4,-0.9 -5,-0.2 -2,-0.2 0.882 113.4 46.3 -66.1 -38.2 53.3 156.7 68.4 183 183 A E H >X S+ 0 0 109 -4,-1.5 4,-2.8 2,-0.2 3,-0.6 0.943 113.7 47.2 -71.2 -45.2 56.9 157.6 69.6 184 184 A N H 3< S+ 0 0 84 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.604 116.8 46.7 -67.7 -11.5 58.4 155.6 66.6 185 185 A G H 3< S+ 0 0 22 -4,-0.6 4,-0.4 -5,-0.2 -2,-0.2 0.561 115.7 43.8-103.9 -12.0 55.8 157.4 64.4 186 186 A G H S+ 0 0 103 -5,-0.3 4,-2.9 -4,-0.3 -2,-0.2 0.847 104.2 56.0 -49.9 -44.2 59.8 159.5 62.3 189 189 A L H 4 S+ 0 0 93 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.890 113.0 40.6 -62.6 -41.3 57.6 162.6 61.6 190 190 A A H >X S+ 0 0 65 -4,-1.3 4,-2.1 -3,-0.2 3,-0.8 0.854 115.4 52.3 -74.5 -36.9 60.6 164.9 62.7 191 191 A E H 3X S+ 0 0 34 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.947 105.7 53.4 -61.8 -49.6 63.1 162.7 60.9 192 192 A Y H 3< S+ 0 0 150 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.1 0.349 117.0 38.8 -74.4 5.4 61.2 162.8 57.5 193 193 A H H X> S+ 0 0 116 -3,-0.8 4,-1.6 -5,-0.1 3,-0.6 0.556 115.0 49.8-126.1 -27.2 61.2 166.6 57.6 194 194 A A H 3X S+ 0 0 57 -4,-2.1 4,-1.1 1,-0.2 2,-0.9 0.958 112.6 50.3 -65.1 -50.6 64.7 167.2 59.0 195 195 A K H 3< S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.1 -0.153 115.2 46.1 -79.6 39.6 65.9 164.7 56.2 196 196 A A H <> S+ 0 0 24 -2,-0.9 4,-3.7 -3,-0.6 5,-0.2 0.369 99.2 63.5-143.0 -38.1 63.9 166.9 53.7 197 197 A T H X S+ 0 0 101 -4,-1.6 4,-1.3 -3,-0.3 -2,-0.2 0.883 110.5 39.3 -62.9 -42.5 64.9 170.5 54.7 198 198 A E H X S+ 0 0 64 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.825 119.8 48.4 -75.3 -32.5 68.7 170.0 53.8 199 199 A H H > S+ 0 0 66 -5,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.918 108.1 53.0 -72.3 -43.3 67.5 167.9 50.7 200 200 A L H X S+ 0 0 107 -4,-3.7 4,-2.4 2,-0.2 -2,-0.2 0.874 114.1 43.7 -59.3 -40.7 64.9 170.6 49.5 201 201 A S H X S+ 0 0 63 -4,-1.3 4,-0.6 -5,-0.2 -1,-0.2 0.899 114.5 48.8 -68.8 -40.8 67.7 173.2 49.6 202 202 A T H < S+ 0 0 40 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.2 0.814 116.7 45.3 -68.1 -32.7 70.2 170.8 47.9 203 203 A L H >< S+ 0 0 120 -4,-2.7 3,-2.1 1,-0.1 -2,-0.2 0.983 113.4 45.9 -64.1 -70.8 67.5 170.1 45.2 204 204 A S H 3< S+ 0 0 95 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.407 99.2 72.3 -67.5 4.1 66.3 173.8 44.6 205 205 A E T 3< S+ 0 0 112 -4,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.674 102.1 43.2 -71.7 -28.0 70.0 175.0 44.3 206 206 A K <> + 0 0 33 -3,-2.1 2,-2.3 -4,-0.2 4,-1.6 -0.004 58.1 142.0-128.3 25.3 70.4 173.3 40.9 207 207 A A T 4 S+ 0 0 82 -3,-0.2 -1,-0.1 1,-0.2 -3,-0.1 -0.039 89.7 21.3 -62.6 35.6 67.2 173.9 38.7 208 208 A K T >4 S+ 0 0 165 -2,-2.3 3,-0.9 0, 0.0 -1,-0.2 0.149 119.1 51.0-166.1 -58.5 69.6 174.2 35.6 209 209 A P G >> S+ 0 0 67 0, 0.0 3,-2.8 0, 0.0 4,-2.5 0.761 87.4 90.4 -69.4 -20.9 73.1 172.5 36.0 210 210 A A G 3< S+ 0 0 45 -4,-1.6 4,-0.2 1,-0.3 -3,-0.1 0.526 86.4 48.4 -43.8 -24.7 71.3 169.2 37.2 211 211 A L G <4 S+ 0 0 140 -3,-0.9 -1,-0.3 3,-0.1 4,-0.2 0.525 121.1 34.8 -92.1 -13.1 71.2 167.9 33.6 212 212 A E T <> S+ 0 0 93 -3,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.613 104.3 61.6-134.1 -22.0 74.9 168.7 32.8 213 213 A D H X S+ 0 0 34 -4,-2.5 4,-0.7 2,-0.2 -3,-0.1 0.916 112.2 48.7 -64.2 -41.7 76.9 168.1 36.0 214 214 A L H >> S+ 0 0 110 -5,-0.3 3,-0.8 2,-0.2 4,-0.5 0.914 110.8 48.4 -51.2 -53.5 75.4 164.6 35.4 215 215 A R H >> S+ 0 0 124 1,-0.2 4,-3.3 2,-0.2 3,-1.3 0.901 104.3 58.8 -63.3 -41.2 76.6 164.8 31.7 216 216 A Q H 3< S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.726 107.1 49.4 -58.2 -20.6 80.2 166.0 32.9 217 217 A G H << S+ 0 0 12 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.508 114.3 44.5 -98.1 -7.7 80.2 162.6 34.8 218 218 A L H XX S+ 0 0 69 -3,-1.3 4,-2.5 -4,-0.5 3,-0.6 0.842 94.3 82.5 -88.3 -50.0 79.2 160.8 31.6 219 219 A L H 3X S+ 0 0 83 -4,-3.3 4,-1.4 1,-0.3 -2,-0.1 0.675 107.6 18.7 -28.2 -67.0 81.6 162.6 29.1 220 220 A P H 3> S+ 0 0 52 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.746 120.5 63.9 -82.1 -22.9 84.9 160.6 29.6 221 221 A V H <4 S+ 0 0 55 -3,-0.6 4,-0.4 55,-0.2 -2,-0.2 0.772 107.2 47.5 -66.3 -28.9 83.0 157.6 31.2 222 222 A L H >< S+ 0 0 53 -4,-2.5 3,-3.0 2,-0.1 4,-0.4 0.990 102.0 58.6 -65.7 -75.3 81.4 157.3 27.7 223 223 A E H 3< S+ 0 0 144 -4,-1.4 3,-0.5 1,-0.3 -2,-0.1 0.627 106.9 47.8 -40.1 -35.2 84.5 157.6 25.3 224 224 A S T >X>S+ 0 0 23 -4,-1.0 3,-1.7 1,-0.2 5,-1.2 0.738 94.4 76.0 -74.8 -26.3 86.3 154.5 26.8 225 225 A F T <45S+ 0 0 111 -3,-3.0 -1,-0.2 -4,-0.4 -2,-0.2 0.647 97.6 46.3 -63.5 -19.0 83.1 152.2 26.6 226 226 A K T 345S+ 0 0 140 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.331 126.6 27.0-101.9 -1.7 83.5 151.7 22.8 227 227 A V T X45S+ 0 0 108 -3,-1.7 3,-0.7 -4,-0.0 -2,-0.2 0.605 126.1 25.1-126.8 -81.1 87.3 151.0 23.1 228 228 A S T 3<5S+ 0 0 55 -4,-0.9 4,-0.3 1,-0.2 3,-0.2 0.780 122.3 49.9 -69.2 -29.8 88.8 149.5 26.3 229 229 A F T 3>> S+ 0 0 83 -3,-0.2 3,-1.2 2,-0.2 4,-0.5 0.923 117.9 49.2 -71.9 -40.8 85.8 142.2 25.0 232 232 A A H >> S+ 0 0 5 -4,-0.3 4,-0.8 1,-0.2 3,-0.8 0.932 115.9 44.4 -51.4 -50.5 84.9 142.5 28.8 233 233 A L H 3< S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.038 96.3 74.4 -91.2 23.3 81.3 143.6 27.7 234 234 A E H <4 S+ 0 0 152 -3,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.565 100.8 45.1 -98.8 -17.0 81.0 140.9 24.9 235 235 A E H << S+ 0 0 52 -3,-0.8 -2,-0.2 -4,-0.5 11,-0.2 0.959 71.2 167.9 -82.8 -65.8 80.4 138.2 27.6 236 236 A Y < + 0 0 124 -4,-0.8 -1,-0.1 1,-0.1 -3,-0.1 -0.054 62.4 29.0 84.5 -29.6 77.9 140.0 30.0 237 237 A T + 0 0 8 23,-0.1 -1,-0.1 12,-0.0 24,-0.1 0.845 53.5 172.0-128.3 -61.2 77.0 136.9 32.0 238 238 A K + 0 0 88 22,-0.1 23,-0.2 1,-0.1 22,-0.2 -0.037 35.0 106.5 -80.7 146.5 78.4 133.7 33.1 239 239 A K + 0 0 59 1,-0.2 -1,-0.1 21,-0.1 21,-0.1 0.573 22.3 63.2 176.2 169.5 77.0 131.7 35.2 240 240 A L S S+ 0 0 90 2,-0.1 -1,-0.2 11,-0.1 12,-0.0 -0.175 77.1 76.2 -39.2 139.3 75.0 128.7 36.6 241 241 A N S S- 0 0 138 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.750 90.8 -97.9 94.6 95.7 76.9 125.3 36.2 242 242 A T 0 0 126 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.030 360.0 360.0 -48.4 129.7 79.9 124.9 38.7 243 243 A Q 0 0 204 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 -0.501 360.0 360.0-128.8 360.0 83.5 125.6 37.7 244 !* 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 0.0 245 1 B D 0 0 160 0, 0.0 -9,-0.1 0, 0.0 -10,-0.0 0.000 360.0 360.0 360.0-175.9 74.0 137.9 24.4 246 2 B E - 0 0 78 -11,-0.2 -8,-0.0 -8,-0.0 0, 0.0 -0.842 360.0 -37.8-146.8 176.6 72.9 135.3 27.1 247 3 B P - 0 0 74 0, 0.0 -8,-0.0 0, 0.0 0, 0.0 -0.193 62.9-146.6 -40.1 102.8 70.9 135.9 30.4 248 4 B P + 0 0 73 0, 0.0 2,-0.2 0, 0.0 -13,-0.0 0.745 64.6 35.5 -53.0 -40.0 72.4 139.3 31.6 249 5 B Q S S- 0 0 151 1,-0.0 -10,-0.1 -10,-0.0 -12,-0.0 -0.543 88.9 -69.4-127.1 178.8 72.4 138.9 35.5 250 6 B S - 0 0 68 -2,-0.2 2,-0.9 2,-0.1 -12,-0.1 -0.636 17.2-164.7 -92.9 111.3 72.8 136.4 38.3 251 7 B P S S+ 0 0 65 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 -0.849 74.5 7.7 -80.1 92.2 70.7 133.4 39.5 252 8 B W S S- 0 0 213 -2,-0.9 -2,-0.1 -12,-0.0 -12,-0.0 -0.681 92.0 -71.3 139.3-162.5 72.2 132.8 42.9 253 9 B D + 0 0 128 -2,-0.2 -3,-0.1 0, 0.0 -1,-0.0 0.647 60.9 175.5 -72.8 -87.5 74.6 134.1 45.5 254 10 B R + 0 0 48 3,-0.0 4,-0.2 4,-0.0 -4,-0.0 0.970 34.5 156.4 96.5 81.4 78.1 133.5 44.0 255 11 B V S S+ 0 0 123 2,-0.1 4,-0.1 3,-0.1 0, 0.0 0.783 85.8 44.9 -68.9 -36.3 81.6 134.3 45.1 256 12 B K S > S+ 0 0 168 2,-0.1 3,-1.2 1,-0.1 -1,-0.0 0.962 106.2 38.8 -93.5 -61.9 83.0 131.5 42.9 257 13 B D T > S+ 0 0 17 1,-0.3 3,-1.6 2,-0.1 -1,-0.1 0.775 98.9 74.6 -76.6 -26.0 81.8 130.9 39.3 258 14 B L T >> + 0 0 12 1,-0.3 4,-3.2 -4,-0.2 3,-2.1 0.535 68.7 95.4 -64.2 -4.7 81.6 134.6 38.3 259 15 B A H <> S+ 0 0 47 -3,-1.2 4,-2.3 1,-0.3 5,-0.3 0.816 73.0 66.2 -48.1 -34.7 85.5 134.5 38.2 260 16 B T H <4 S+ 0 0 54 -3,-1.6 -1,-0.3 -22,-0.2 -2,-0.2 0.595 115.3 28.1 -67.8 -13.5 84.9 133.9 34.4 261 17 B V H <> S+ 0 0 21 -3,-2.1 4,-3.0 -23,-0.2 5,-0.2 0.722 118.6 56.3-104.4 -51.5 83.5 137.5 34.2 262 18 B Y H X S+ 0 0 130 -4,-3.2 4,-1.7 2,-0.2 -3,-0.2 0.807 108.8 47.3 -56.1 -39.7 85.4 139.1 37.2 263 19 B V H X S+ 0 0 92 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.990 118.2 38.8 -60.7 -64.2 88.9 138.2 35.8 264 20 B D H > S+ 0 0 83 -5,-0.3 4,-1.7 2,-0.2 5,-0.3 0.816 115.7 52.4 -63.5 -37.1 88.3 139.4 32.1 265 21 B V H X>S+ 0 0 46 -4,-3.0 5,-3.1 2,-0.2 4,-2.8 0.966 116.2 39.5 -60.9 -53.5 86.2 142.6 33.2 266 22 B L H <>S+ 0 0 111 -4,-1.7 5,-0.6 4,-0.2 -2,-0.2 0.866 112.8 58.3 -63.1 -38.8 89.0 143.7 35.7 267 23 B K H <5S+ 0 0 171 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.858 123.0 20.0 -57.6 -44.8 91.8 142.7 33.1 268 24 B D H <5S- 0 0 63 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.848 142.1 -18.0 -93.4 -44.6 90.4 145.0 30.3 269 25 B S T X5S+ 0 0 2 -4,-2.8 4,-1.5 -5,-0.3 -3,-0.2 0.568 100.8 90.0-153.5 -15.7 88.2 147.7 31.9 270 26 B G T 4>> S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.727 98.1 72.0 -68.8 -24.7 89.6 152.3 34.7 273 29 B Y H 3X S+ 0 0 142 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.859 96.4 54.1 -54.0 -37.7 85.9 152.8 35.5 274 30 B V H <> S+ 0 0 79 -3,-1.1 4,-2.0 -4,-0.3 -1,-0.2 0.827 109.6 46.6 -68.3 -33.6 86.8 153.7 39.2 275 31 B S H > + 0 0 57 -3,-0.2 3,-1.3 -5,-0.1 4,-0.8 -0.449 34.4 99.0-169.5 -39.2 80.4 168.3 44.3 287 43 B N T 34 S+ 0 0 67 -3,-0.5 -5,-0.1 -6,-0.3 -1,-0.1 0.476 100.6 52.0 -53.9 -12.8 83.3 166.3 46.0 288 44 B L T >> S+ 0 0 115 2,-0.1 4,-2.4 3,-0.1 3,-1.0 0.721 99.6 62.2 -93.7 -32.0 82.0 167.6 49.4 289 45 B K H <> S+ 0 0 76 -3,-1.3 4,-0.6 1,-0.3 -2,-0.2 0.620 90.0 65.5 -83.8 -10.8 78.4 166.5 49.0 290 46 B L H 3< S+ 0 0 106 -4,-0.8 -1,-0.3 2,-0.1 -2,-0.1 0.733 116.7 31.7 -72.2 -21.5 79.1 162.7 48.7 291 47 B L H X> S+ 0 0 102 -3,-1.0 3,-2.3 3,-0.1 4,-1.4 0.859 104.4 71.6 -96.5 -49.3 80.3 163.1 52.4 292 48 B D H 3< S+ 0 0 85 -4,-2.4 -3,-0.1 1,-0.3 -2,-0.1 0.683 117.1 21.9 -45.4 -31.8 77.9 165.9 53.8 293 49 B N T 3< S+ 0 0 45 -4,-0.6 -1,-0.3 2,-0.1 -2,-0.1 -0.026 108.9 76.3-132.6 32.0 74.8 163.6 53.7 294 50 B W T X> S+ 0 0 145 -3,-2.3 3,-2.0 2,-0.1 4,-1.6 0.798 96.5 46.6 -92.9 -53.3 76.5 160.1 53.8 295 51 B D H 3X S+ 0 0 84 -4,-1.4 4,-2.6 1,-0.3 -3,-0.1 0.635 100.2 68.9 -72.2 -5.4 77.4 160.2 57.6 296 52 B S H 34 S+ 0 0 37 -5,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.779 105.3 42.7 -68.4 -26.4 73.8 161.4 58.2 297 53 B V H <> S+ 0 0 67 -3,-2.0 4,-2.3 2,-0.2 3,-0.3 0.868 113.5 50.7 -83.9 -40.7 73.0 157.8 57.1 298 54 B T H X S+ 0 0 63 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.951 114.3 44.4 -58.7 -50.2 75.9 156.3 59.2 299 55 B S H X S+ 0 0 61 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.609 108.6 58.7 -73.1 -9.7 74.6 158.3 62.3 300 56 B T H > S+ 0 0 33 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.885 108.6 43.9 -80.0 -41.4 71.0 157.2 61.4 301 57 B F H X S+ 0 0 154 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.905 119.7 43.8 -65.1 -40.5 72.1 153.5 61.7 302 58 B S H X S+ 0 0 44 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.978 114.6 48.4 -59.0 -57.9 73.9 154.6 64.9 303 59 B K H X S+ 0 0 104 -4,-2.7 4,-0.7 2,-0.2 5,-0.3 0.800 112.0 51.5 -59.3 -30.3 70.9 156.8 66.1 304 60 B L H >X S+ 0 0 78 -4,-2.6 4,-3.2 2,-0.2 3,-1.2 0.994 115.8 38.6 -61.3 -62.1 68.6 153.7 65.4 305 61 B R H 3< S+ 0 0 175 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.635 121.5 46.5 -65.9 -16.4 70.8 151.3 67.5 306 62 B E H 3< S+ 0 0 89 -4,-1.9 -1,-0.2 3,-0.1 -2,-0.2 0.419 118.9 38.9-108.3 -2.1 71.4 154.1 70.2 307 63 B Q H + 0 0 53 2,-0.1 3,-1.0 -4,-0.0 2,-0.6 0.704 59.1 83.9-142.4 -38.9 61.1 148.0 77.3 316 72 B W T 3 S+ 0 0 198 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.192 86.9 74.6 -70.7 27.0 59.4 144.4 77.4 317 73 B D T > S+ 0 0 114 -2,-0.6 3,-1.1 2,-0.1 2,-0.5 0.829 78.9 63.9 -95.8 -49.7 57.9 145.5 80.8 318 74 B N T < S+ 0 0 85 -3,-1.0 -2,-0.1 1,-0.2 -1,-0.1 0.221 108.9 40.1 -69.8 13.0 55.1 148.0 79.7 319 75 B L T > S+ 0 0 46 -2,-0.5 3,-1.3 -4,-0.1 4,-0.3 0.474 75.9 97.8-142.7 -15.4 53.0 145.3 77.9 320 76 B E T X> S+ 0 0 86 -3,-1.1 3,-2.2 1,-0.2 4,-1.6 0.871 75.5 71.5 -57.0 -42.0 53.0 141.9 79.8 321 77 B K H 3> S+ 0 0 120 -4,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.665 85.9 65.6 -47.9 -29.1 49.5 142.7 81.3 322 78 B E H <> S+ 0 0 39 -3,-1.3 4,-1.3 2,-0.2 -1,-0.3 0.791 111.5 34.4 -67.4 -31.4 47.8 142.2 77.9 323 79 B T H <> S+ 0 0 83 -3,-2.2 4,-2.3 -4,-0.3 5,-0.2 0.636 105.1 65.6-105.2 -19.2 48.7 138.4 77.9 324 80 B E H X S+ 0 0 68 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.890 107.8 50.3 -60.3 -35.7 48.4 138.0 81.7 325 81 B G H >X S+ 0 0 12 -4,-1.7 4,-2.7 -5,-0.2 3,-1.5 0.996 104.8 53.0 -32.8 -88.8 45.0 138.8 80.1 326 82 B L H 3X S+ 0 0 104 -4,-1.3 4,-2.8 1,-0.3 -2,-0.2 0.721 107.8 49.6 -37.1 -41.3 45.3 136.0 77.4 327 83 B R H 3< S+ 0 0 160 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.846 117.3 41.8 -70.7 -33.4 46.0 133.1 79.9 328 84 B Q H XX S+ 0 0 116 -3,-1.5 3,-1.1 -4,-0.9 4,-1.0 0.903 116.9 50.7 -71.1 -45.0 43.0 134.3 82.0 329 85 B E H >X S+ 0 0 43 -4,-2.7 3,-2.1 1,-0.2 4,-2.0 0.987 107.3 49.9 -56.2 -63.5 41.0 134.8 78.7 330 86 B M H 3< S+ 0 0 174 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.069 118.8 41.8 -75.4 33.1 41.7 131.3 77.2 331 87 B S H <4 S+ 0 0 95 -2,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.307 123.3 34.7-142.3 -12.0 40.6 129.8 80.6 332 88 B K H X< S+ 0 0 97 -3,-2.1 3,-0.7 -4,-1.0 -2,-0.2 0.369 75.8 115.0-123.4 -4.6 37.5 132.0 81.3 333 89 B D G >< + 0 0 78 -4,-2.0 3,-0.7 1,-0.2 4,-0.5 0.380 46.5 114.1 -56.5 4.6 36.1 132.6 77.7 334 90 B L G >> + 0 0 106 1,-0.2 4,-1.1 2,-0.1 3,-0.6 0.669 52.9 68.5 -23.2 -57.7 33.0 130.6 78.8 335 91 B E G <4 S+ 0 0 130 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.664 96.1 48.2 -83.0 -20.2 30.2 133.2 78.7 336 92 B E G X> S+ 0 0 110 -3,-0.7 4,-2.3 3,-0.1 3,-0.8 0.886 109.8 55.6 -61.3 -44.0 29.9 133.8 74.9 337 93 B V H <> S+ 0 0 76 -3,-0.6 4,-1.7 -4,-0.5 -2,-0.2 0.832 96.3 50.3 -86.0 -49.1 29.7 130.2 74.0 338 94 B K H 3< S+ 0 0 110 -4,-1.1 -1,-0.3 1,-0.2 -3,-0.1 0.308 122.6 38.8 -76.3 5.7 27.0 128.2 75.9 339 95 B A H <4 S+ 0 0 61 -3,-0.8 -2,-0.2 -4,-0.0 -1,-0.2 0.594 110.6 60.5-114.8 -42.1 24.5 131.0 74.7 340 96 B K H X S+ 0 0 104 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.825 102.0 48.8 -47.1 -54.1 26.0 131.5 71.2 341 97 B V H >X S+ 0 0 41 -4,-1.7 4,-1.0 1,-0.2 3,-1.0 0.937 90.8 74.1 -66.9 -53.7 25.4 127.9 69.7 342 98 B Q H 34 S+ 0 0 117 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.689 98.5 41.8 -37.8 -49.8 21.8 127.0 70.6 343 99 B P H >4 S+ 0 0 97 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.862 108.1 58.5 -71.8 -34.3 19.9 129.2 68.0 344 100 B Y H XX S+ 0 0 119 -3,-1.0 4,-1.2 -4,-0.6 3,-1.2 0.766 86.9 78.3 -70.7 -21.3 22.2 128.6 64.9 345 101 B L H 3X S+ 0 0 79 -4,-1.0 4,-0.9 -3,-0.3 -1,-0.2 0.758 83.0 67.1 -51.2 -30.4 21.5 124.8 65.2 346 102 B D H <> S+ 0 0 146 -3,-1.2 4,-0.6 -4,-0.3 -1,-0.2 0.840 105.8 38.0 -65.1 -37.5 18.1 125.4 63.5 347 103 B D H <4 S+ 0 0 83 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.675 100.9 75.2 -87.4 -18.3 19.8 126.5 60.1 348 104 B F H >X S+ 0 0 103 -4,-1.2 4,-1.5 1,-0.2 3,-0.6 0.838 92.3 57.6 -63.6 -28.1 22.6 123.7 60.5 349 105 B Q H 3X S+ 0 0 123 -4,-0.9 2,-1.7 1,-0.2 4,-1.6 0.968 101.4 53.7 -52.3 -61.5 19.7 121.3 59.5 350 106 B K H 3< S+ 0 0 138 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.255 110.5 49.1 -79.9 48.3 19.1 123.2 56.1 351 107 B K H X> S+ 0 0 23 -2,-1.7 4,-3.1 -3,-0.6 3,-1.0 0.248 99.9 57.7-155.7 -32.5 22.9 122.8 55.3 352 108 B W H 3X>S+ 0 0 150 -4,-1.5 4,-3.1 -3,-0.5 5,-0.5 0.911 108.8 53.1 -60.1 -36.0 23.4 119.0 56.0 353 109 B Q H 3<5S+ 0 0 81 -4,-1.6 -1,-0.2 2,-0.2 -3,-0.1 0.406 111.0 45.3 -80.3 -0.1 20.6 118.9 53.3 354 110 B E H <>5S+ 0 0 27 -3,-1.0 4,-1.1 -5,-0.2 -2,-0.2 0.771 120.0 39.4 -91.6 -55.1 22.8 121.1 51.0 355 111 B E H <5S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 4,-0.2 0.836 127.1 28.8 -64.5 -44.4 26.1 119.1 51.7 356 112 B M T X5S+ 0 0 91 -4,-3.1 4,-1.7 -5,-0.2 5,-0.2 0.802 115.9 54.0 -97.1 -31.0 24.7 115.5 51.7 357 113 B E H >> S+ 0 0 117 2,-0.2 4,-3.4 -4,-0.2 3,-1.3 0.977 108.8 37.9 -76.9 -58.4 26.6 114.6 47.2 360 116 B R H 3X 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2,-1.4 1,-0.2 3,-0.1 -0.093 23.1-130.1 77.4 -38.8 81.3 31.5 55.1 483 239 B K S S+ 0 0 206 -2,-1.9 2,-0.7 4,-0.1 -1,-0.2 -0.207 105.9 63.6 77.8 -36.0 84.3 32.7 57.3 484 240 B L S S- 0 0 128 -2,-1.4 -3,-0.0 1,-0.1 -1,-0.0 -0.946 76.4-168.1 -92.5 100.3 81.8 34.6 59.4 485 241 B N S S+ 0 0 123 -2,-0.7 2,-0.2 1,-0.3 -1,-0.1 0.350 77.2 90.5 -79.4 14.9 79.9 31.5 60.6 486 242 B T 0 0 124 -4,-0.0 -1,-0.3 0, 0.0 -4,-0.0 -0.408 360.0 360.0 -82.0 41.8 77.4 34.1 61.7 487 243 B Q 0 0 145 -2,-0.2 -4,-0.1 -6,-0.1 -14,-0.0 -0.913 360.0 360.0-168.4 360.0 76.2 33.3 58.1