==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-JUN-10 3NOR . COMPND 2 MOLECULE: THIJ/PFPI FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.LAKSHMINARASIMHAN,P.MADZELAN,R.NAN,N.M.MILKOVIC,M.A.WILSON . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.3 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 0 0 1 2 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 G 0 0 113 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.1 -8.3 -25.7 -37.3 2 2 A S + 0 0 113 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.027 360.0 59.2 -87.8 24.7 -6.1 -28.5 -38.6 3 3 A H S S- 0 0 122 30,-0.1 2,-0.5 29,-0.0 30,-0.0 -0.957 103.0 -93.2-133.9 161.4 -3.2 -26.9 -36.7 4 4 A M - 0 0 144 -2,-0.3 2,-0.6 1,-0.1 -2,-0.1 -0.570 38.7-141.6 -68.0 121.5 -3.0 -26.2 -33.0 5 5 A A - 0 0 17 -2,-0.5 2,-0.4 -4,-0.1 29,-0.2 -0.737 8.4-140.1 -86.7 119.3 -4.2 -22.7 -32.2 6 6 A V - 0 0 15 -2,-0.6 29,-3.0 26,-0.4 2,-0.6 -0.666 15.8-138.5 -76.2 131.5 -2.2 -21.0 -29.5 7 7 A Q E -a 35 0A 29 -2,-0.4 60,-2.8 27,-0.2 61,-1.8 -0.872 23.4-175.6 -98.1 114.9 -4.5 -19.0 -27.2 8 8 A I E -ab 36 68A 0 27,-2.8 29,-3.1 -2,-0.6 2,-0.4 -0.936 2.8-169.3-118.0 130.9 -3.1 -15.6 -26.4 9 9 A G E -ab 37 69A 0 59,-2.8 61,-2.7 -2,-0.4 2,-0.4 -0.977 12.8-169.2-134.8 128.3 -4.8 -13.3 -24.0 10 10 A F E -ab 38 70A 0 27,-2.7 29,-3.1 -2,-0.4 2,-0.5 -0.926 27.5-126.3-106.9 132.4 -4.4 -9.7 -22.9 11 11 A L E -a 39 0A 0 59,-2.1 2,-0.5 -2,-0.4 29,-0.2 -0.697 26.6-163.7 -72.0 124.2 -6.3 -8.2 -19.9 12 12 A L + 0 0 0 27,-3.2 44,-0.1 -2,-0.5 26,-0.0 -0.968 19.6 161.6-114.7 115.0 -8.1 -5.2 -21.2 13 13 A F > - 0 0 2 -2,-0.5 3,-1.6 27,-0.1 63,-0.1 -0.941 46.3 -78.2-135.3 154.8 -9.3 -2.8 -18.4 14 14 A P T 3 S+ 0 0 61 0, 0.0 34,-0.2 0, 0.0 35,-0.1 -0.257 116.2 17.2 -56.9 138.8 -10.4 0.8 -18.1 15 15 A E T 3 S+ 0 0 111 32,-3.0 61,-2.4 1,-0.2 62,-0.3 0.673 86.4 161.6 66.4 25.1 -7.5 3.3 -18.1 16 16 A V < - 0 0 0 -3,-1.6 33,-2.9 31,-0.3 2,-1.2 -0.389 52.5-114.3 -59.3 143.4 -5.0 0.7 -19.6 17 17 A Q >> - 0 0 69 56,-2.9 3,-1.4 31,-0.2 4,-0.6 -0.784 36.6-153.4 -77.4 97.7 -1.9 2.2 -21.1 18 18 A Q H >> S+ 0 0 46 -2,-1.2 4,-3.0 1,-0.3 3,-1.5 0.815 84.2 58.7 -53.7 -36.8 -3.0 1.0 -24.6 19 19 A L H 3> S+ 0 0 58 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.845 94.2 67.8 -68.3 -28.7 0.4 0.7 -26.2 20 20 A D H <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.847 116.2 26.3 -46.6 -43.1 1.4 -1.8 -23.5 21 21 A L H S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.830 113.7 64.8 -60.3 -29.4 2.6 -7.3 -28.4 25 25 A H H X S+ 0 0 48 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.953 103.2 44.1 -58.4 -49.3 -0.9 -7.8 -29.8 26 26 A D H < S+ 0 0 108 -4,-2.0 4,-0.4 -3,-0.3 -1,-0.2 0.867 116.6 47.9 -67.5 -34.8 0.1 -6.9 -33.4 27 27 A V H >< S+ 0 0 7 -4,-1.5 3,-1.3 -5,-0.2 4,-0.2 0.979 116.9 39.7 -67.0 -54.8 3.3 -9.0 -33.1 28 28 A L H >< S+ 0 0 4 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.840 107.9 62.4 -67.9 -33.8 1.7 -12.1 -31.6 29 29 A A T 3< S+ 0 0 44 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.662 95.3 64.7 -66.9 -13.1 -1.4 -11.8 -33.9 30 30 A S T < S+ 0 0 43 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.567 82.3 104.7 -77.7 -14.1 1.0 -12.3 -36.8 31 31 A L S X S- 0 0 7 -3,-1.9 3,-1.2 -4,-0.2 2,-0.0 -0.368 84.6 -84.5 -80.1 155.1 1.9 -15.9 -35.7 32 32 A P T 3 S- 0 0 39 0, 0.0 -26,-0.4 0, 0.0 -1,-0.1 -0.303 100.8 -15.3 -58.3 126.3 0.6 -19.0 -37.4 33 33 A D T 3 S+ 0 0 81 1,-0.2 -30,-0.1 -28,-0.1 -4,-0.1 0.448 93.8 149.0 74.3 0.8 -2.8 -20.3 -36.3 34 34 A V < - 0 0 22 -3,-1.2 2,-0.4 -29,-0.2 -27,-0.2 -0.278 36.4-151.6 -73.5 156.2 -3.0 -18.1 -33.1 35 35 A Q E -a 7 0A 101 -29,-3.0 -27,-2.8 2,-0.0 2,-0.4 -0.994 12.2-157.7-127.3 125.5 -6.1 -16.8 -31.6 36 36 A V E -a 8 0A 33 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.887 5.4-162.2-112.2 131.5 -5.8 -13.5 -29.6 37 37 A H E -a 9 0A 30 -29,-3.1 -27,-2.7 -2,-0.4 2,-0.6 -0.872 16.4-153.7-115.0 139.3 -8.3 -12.4 -26.9 38 38 A L E -a 10 0A 21 -2,-0.4 19,-2.1 -29,-0.2 20,-1.9 -0.979 32.5-157.5-107.6 113.5 -8.9 -9.0 -25.3 39 39 A I E +ac 11 58A 0 -29,-3.1 -27,-3.2 -2,-0.6 2,-0.3 -0.801 26.9 141.5-110.6 128.9 -10.3 -10.1 -21.9 40 40 A W E - c 0 59A 25 18,-2.3 20,-0.7 -2,-0.4 -27,-0.1 -0.856 67.1 -83.6-145.9-178.9 -12.5 -8.1 -19.6 41 41 A K S S+ 0 0 130 -2,-0.3 20,-0.2 18,-0.2 18,-0.1 0.819 117.8 7.2 -61.2 -26.7 -15.5 -8.7 -17.2 42 42 A E S S- 0 0 114 16,-0.2 16,-0.2 17,-0.2 -1,-0.2 -0.988 86.2-105.3-147.8 150.7 -17.6 -8.3 -20.3 43 43 A P S S+ 0 0 72 0, 0.0 14,-0.2 0, 0.0 -4,-0.1 -0.403 75.7 66.7 -67.9 159.2 -17.0 -7.9 -24.0 44 44 A G E S-G 56 0B 19 12,-2.2 12,-2.9 -2,-0.1 14,-0.1 -0.698 86.1 -6.2 121.5-172.2 -17.4 -4.4 -25.5 45 45 A P E +G 55 0B 95 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.225 50.3 179.9 -64.6 137.7 -15.9 -1.0 -25.4 46 46 A V E -G 54 0B 5 8,-3.0 8,-3.1 -33,-0.1 2,-0.5 -0.988 22.4-135.4-134.5 127.0 -13.1 -0.2 -22.8 47 47 A V E -G 53 0B 73 -2,-0.4 -32,-3.0 6,-0.2 -31,-0.3 -0.750 15.9-145.0 -88.4 124.5 -11.5 3.2 -22.7 48 48 A A > - 0 0 3 4,-3.3 3,-2.1 -2,-0.5 -31,-0.2 -0.224 35.4 -93.9 -77.6 172.5 -7.7 3.4 -22.4 49 49 A S T 3 S+ 0 0 45 -33,-2.9 -32,-0.1 1,-0.3 -1,-0.1 0.770 126.3 53.4 -64.0 -23.1 -5.9 6.1 -20.4 50 50 A S T 3 S- 0 0 80 -34,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.550 121.8-104.2 -85.2 -7.7 -5.5 8.3 -23.5 51 51 A G S < S+ 0 0 44 -3,-2.1 -2,-0.1 1,-0.4 2,-0.1 0.207 75.8 143.5 94.6 -14.4 -9.3 8.1 -24.3 52 52 A L - 0 0 75 -5,-0.1 -4,-3.3 1,-0.1 2,-0.6 -0.398 47.2-134.2 -55.6 128.3 -8.6 5.6 -27.1 53 53 A V E -G 47 0B 80 -6,-0.2 -6,-0.2 -2,-0.1 2,-0.2 -0.796 25.7-179.1 -95.9 120.6 -11.5 3.1 -27.2 54 54 A L E -G 46 0B 29 -8,-3.1 -8,-3.0 -2,-0.6 2,-0.5 -0.666 22.4-126.1-105.7 167.1 -10.7 -0.6 -27.5 55 55 A Q E -G 45 0B 101 -10,-0.2 2,-0.3 -2,-0.2 -17,-0.1 -0.976 11.3-142.3-117.6 119.4 -13.1 -3.6 -27.6 56 56 A A E -G 44 0B 5 -12,-2.9 -12,-2.2 -2,-0.5 -17,-0.2 -0.631 9.4-161.6 -70.5 135.8 -12.9 -6.5 -25.3 57 57 A T + 0 0 82 -19,-2.1 2,-0.3 -2,-0.3 -18,-0.2 0.582 65.5 24.7 -98.0 -15.8 -13.6 -9.7 -27.2 58 58 A T E -c 39 0A 11 -20,-1.9 -18,-2.3 -16,-0.2 -1,-0.2 -0.999 66.4-125.0-150.7 152.2 -14.4 -11.9 -24.3 59 59 A S E > -c 40 0A 16 -2,-0.3 4,-0.6 -20,-0.2 -18,-0.2 -0.417 40.0-105.9 -78.6 166.5 -15.6 -12.1 -20.7 60 60 A F T >4 S+ 0 0 33 -20,-0.7 3,-1.1 1,-0.2 -19,-0.1 0.929 120.9 51.7 -51.5 -48.1 -13.6 -13.8 -17.9 61 61 A A T 34 S+ 0 0 95 1,-0.3 -1,-0.2 -20,-0.2 -20,-0.1 0.809 112.5 43.7 -67.0 -31.7 -16.1 -16.7 -17.9 62 62 A D T 34 S+ 0 0 125 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.439 84.6 114.8 -94.8 -2.7 -15.9 -17.3 -21.7 63 63 A C << - 0 0 12 -3,-1.1 3,-0.1 -4,-0.6 -54,-0.0 -0.538 64.9-130.2 -72.3 129.6 -12.2 -17.0 -22.0 64 64 A P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.324 43.2 -72.2 -71.9 163.0 -10.6 -20.3 -23.1 65 65 A P - 0 0 111 0, 0.0 2,-0.3 0, 0.0 -58,-0.1 -0.377 62.3-132.6 -49.8 124.7 -7.6 -21.7 -21.2 66 66 A L - 0 0 5 1,-0.1 32,-0.2 -3,-0.1 -58,-0.2 -0.639 25.1-166.3 -91.7 144.9 -4.8 -19.4 -22.3 67 67 A D S S+ 0 0 26 -60,-2.8 32,-1.7 1,-0.3 31,-0.5 0.719 89.9 24.2 -88.3 -33.6 -1.3 -20.4 -23.4 68 68 A V E S-bd 8 99A 1 -61,-1.8 -59,-2.8 30,-0.2 2,-0.4 -0.987 70.1-172.2-129.7 125.8 -0.0 -16.9 -23.0 69 69 A I E -bd 9 100A 0 30,-2.3 32,-2.0 -2,-0.4 2,-0.4 -0.944 5.9-171.0-112.3 139.4 -1.6 -14.4 -20.6 70 70 A C E -bd 10 101A 1 -61,-2.7 -59,-2.1 -2,-0.4 32,-0.3 -0.987 9.7-161.6-130.5 123.3 -0.3 -10.8 -20.7 71 71 A I E - d 0 102A 0 30,-2.3 32,-2.2 -2,-0.4 35,-0.2 -0.906 14.5-158.4-100.3 113.6 -1.3 -8.0 -18.2 72 72 A P - 0 0 0 0, 0.0 32,-0.1 0, 0.0 2,-0.1 -0.263 10.3-132.6 -78.9 175.4 -0.6 -4.5 -19.5 73 73 A G + 0 0 0 -56,-0.3 -56,-2.9 32,-0.1 2,-0.2 -0.157 40.0 124.8-109.6-154.7 -0.1 -1.5 -17.2 74 74 A G S > S- 0 0 5 -58,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.521 78.9 -58.8 118.4 167.7 -1.5 2.1 -17.1 75 75 A T T > S+ 0 0 84 1,-0.3 3,-1.4 -60,-0.3 4,-0.4 0.836 125.8 70.6 -51.0 -35.5 -3.3 4.2 -14.5 76 76 A G T 3> S+ 0 0 6 -61,-2.4 4,-1.6 1,-0.3 3,-0.3 0.572 75.7 83.3 -62.3 -8.3 -6.0 1.6 -14.4 77 77 A V H <> S+ 0 0 0 -3,-2.1 4,-2.1 -62,-0.3 -1,-0.3 0.840 78.7 65.0 -69.1 -32.3 -3.8 -0.9 -12.6 78 78 A G H <4 S+ 0 0 8 -3,-1.4 4,-0.3 -4,-0.3 -1,-0.2 0.913 106.3 42.1 -59.2 -43.6 -4.5 0.5 -9.2 79 79 A A H >4 S+ 0 0 77 -4,-0.4 3,-1.8 -3,-0.3 -1,-0.2 0.926 111.7 55.8 -65.8 -46.4 -8.1 -0.5 -9.3 80 80 A L H >< S+ 0 0 3 -4,-1.6 3,-1.5 1,-0.3 -2,-0.2 0.808 95.8 66.4 -56.0 -34.3 -7.3 -3.8 -10.8 81 81 A M T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.629 110.5 35.4 -63.6 -17.0 -4.9 -4.6 -7.9 82 82 A E T < S+ 0 0 57 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.046 87.4 114.7-124.0 24.7 -8.0 -4.7 -5.5 83 83 A D <> - 0 0 45 -3,-1.5 4,-2.8 1,-0.2 5,-0.3 -0.826 48.7-165.0 -99.7 100.5 -10.4 -6.3 -8.0 84 84 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.849 86.2 48.4 -63.2 -32.9 -11.2 -9.7 -6.5 85 85 A Q H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 113.6 46.2 -68.7 -47.3 -12.8 -11.0 -9.7 86 86 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 113.5 48.9 -64.4 -43.9 -10.0 -9.9 -11.9 87 87 A L H X S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.903 110.4 51.5 -63.1 -39.4 -7.3 -11.3 -9.5 88 88 A A H X S+ 0 0 39 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.891 110.9 47.8 -65.5 -39.1 -9.2 -14.6 -9.3 89 89 A F H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.918 110.9 51.2 -66.1 -42.5 -9.3 -14.9 -13.1 90 90 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.940 112.6 46.0 -62.7 -43.8 -5.6 -14.0 -13.4 91 91 A R H X S+ 0 0 134 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.906 111.2 52.8 -59.9 -44.2 -4.7 -16.7 -10.8 92 92 A Q H X S+ 0 0 133 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.946 115.7 39.5 -55.9 -50.8 -7.0 -19.2 -12.6 93 93 A Q H >X S+ 0 0 22 -4,-2.6 4,-1.7 1,-0.2 3,-0.6 0.842 111.4 56.7 -72.0 -37.3 -5.3 -18.6 -15.9 94 94 A A H 3< S+ 0 0 13 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.773 91.6 73.4 -64.9 -28.2 -1.8 -18.4 -14.5 95 95 A A H 3< S+ 0 0 80 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.889 118.1 12.8 -54.4 -40.7 -2.0 -21.8 -12.9 96 96 A R H << S+ 0 0 227 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.519 92.9 121.8-119.2 -9.9 -1.7 -23.6 -16.3 97 97 A A < - 0 0 7 -4,-1.7 -30,-0.2 1,-0.1 3,-0.1 -0.274 58.6-139.2 -56.7 136.9 -0.6 -21.0 -18.8 98 98 A R S S+ 0 0 125 -31,-0.5 2,-0.4 1,-0.2 -30,-0.2 0.841 91.7 26.1 -55.9 -40.4 2.7 -21.8 -20.6 99 99 A Y E -d 68 0A 18 -32,-1.7 -30,-2.3 -33,-0.1 2,-0.5 -0.996 63.0-168.8-135.6 129.7 3.7 -18.1 -20.3 100 100 A V E +de 69 149A 9 48,-2.3 50,-2.2 -2,-0.4 2,-0.3 -0.984 27.6 163.5-118.2 122.9 2.6 -15.5 -17.7 101 101 A T E -de 70 150A 0 -32,-2.0 -30,-2.3 -2,-0.5 2,-0.3 -0.880 19.0-177.0-142.1 161.1 3.7 -12.0 -18.7 102 102 A S E -de 71 151A 0 48,-1.5 50,-2.1 -2,-0.3 2,-0.4 -0.983 14.6-141.7-156.8 161.1 3.1 -8.3 -18.0 103 103 A V E > - e 0 152A 0 -32,-2.2 3,-2.4 -2,-0.3 50,-0.2 -0.968 64.6 -29.6-124.9 139.7 4.2 -4.9 -19.2 104 104 A C T > S- 0 0 10 48,-2.3 3,-1.2 -2,-0.4 4,-0.2 -0.260 133.3 -4.4 65.2-134.3 4.8 -1.8 -17.2 105 105 A S T >> S+ 0 0 2 1,-0.2 3,-1.3 18,-0.2 4,-0.7 0.484 111.7 95.1 -75.3 -1.5 2.7 -1.7 -14.0 106 106 A G H X> S+ 0 0 0 -3,-2.4 4,-1.8 1,-0.3 3,-0.7 0.821 74.4 64.9 -53.6 -33.7 1.0 -4.9 -15.1 107 107 A S H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 -1,-0.3 0.804 91.9 61.9 -63.1 -27.1 3.5 -6.8 -13.0 108 108 A L H <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.811 102.4 51.7 -69.2 -26.2 2.0 -5.2 -9.9 109 109 A V H S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 6,-0.4 0.919 112.5 50.6 -51.4 -44.9 0.5 -10.2 -11.0 111 111 A G H ><5S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 5,-0.3 0.930 108.3 50.1 -61.1 -46.1 2.0 -9.3 -7.6 112 112 A A H 3<5S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.811 106.0 57.8 -63.5 -29.4 -1.4 -8.5 -6.1 113 113 A A T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.410 120.2-111.5 -78.7 -1.8 -2.6 -11.9 -7.4 114 114 A G T < 5S+ 0 0 22 -3,-1.7 3,-0.4 -4,-0.2 -3,-0.2 0.658 85.4 120.0 88.0 14.2 0.1 -13.6 -5.5 115 115 A L < + 0 0 41 -5,-2.4 -4,-0.2 1,-0.2 -5,-0.1 0.371 61.8 60.9 -99.1 -1.3 2.1 -14.6 -8.5 116 116 A L > + 0 0 0 -6,-0.4 3,-2.4 18,-0.3 2,-0.3 0.368 67.0 136.7-103.7 4.9 5.4 -12.8 -7.9 117 117 A Q T 3 S- 0 0 133 -3,-0.4 19,-0.2 1,-0.3 18,-0.1 -0.326 87.5 -10.1 -60.2 116.1 6.3 -14.6 -4.6 118 118 A G T 3 S+ 0 0 45 17,-2.8 2,-0.3 -2,-0.3 -1,-0.3 0.577 109.3 128.2 73.7 8.2 10.0 -15.4 -4.7 119 119 A K < - 0 0 74 -3,-2.4 18,-3.1 16,-0.2 2,-0.3 -0.771 64.8-120.1 -97.8 142.1 10.1 -14.5 -8.4 120 120 A R E +h 137 0C 87 -2,-0.3 2,-0.3 16,-0.2 31,-0.1 -0.632 52.6 153.8 -71.6 132.6 12.6 -12.2 -10.1 121 121 A A E -h 138 0C 0 16,-2.2 18,-2.3 -2,-0.3 2,-0.2 -0.983 30.4-155.2-157.6 157.1 10.5 -9.4 -11.7 122 122 A T - 0 0 5 -2,-0.3 2,-0.3 22,-0.2 30,-0.1 -0.785 10.4-179.6-126.0 176.3 10.5 -5.8 -12.8 123 123 A T - 0 0 2 -2,-0.2 -18,-0.2 16,-0.2 30,-0.1 -0.914 52.2 -38.9-155.9-175.0 7.9 -3.1 -13.4 124 124 A H > - 0 0 55 -2,-0.3 3,-2.5 -20,-0.2 4,-0.2 -0.349 62.3-121.1 -55.1 132.8 7.7 0.5 -14.5 125 125 A W G > S+ 0 0 73 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.739 108.1 58.6 -54.0 -31.9 10.8 2.3 -13.1 126 126 A A G 3 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.698 114.0 38.6 -74.0 -15.9 8.8 4.9 -11.1 127 127 A Y G X S+ 0 0 23 -3,-2.5 3,-2.3 1,-0.1 -1,-0.3 0.149 77.5 117.6-115.9 11.6 7.0 2.1 -9.1 128 128 A H G X + 0 0 15 -3,-1.1 3,-1.7 1,-0.3 4,-0.4 0.780 66.9 66.1 -59.4 -28.5 9.9 -0.3 -8.7 129 129 A E G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.575 89.5 69.0 -68.7 -8.7 9.8 -0.1 -4.9 130 130 A L G <> S+ 0 0 2 -3,-2.3 4,-0.5 1,-0.2 -1,-0.3 0.505 82.8 74.8 -90.1 -3.1 6.4 -1.7 -5.0 131 131 A L T X4>S+ 0 0 0 -3,-1.7 5,-1.8 -4,-0.2 3,-1.0 0.921 88.4 54.2 -73.1 -47.7 7.9 -5.0 -6.1 132 132 A A G >45S+ 0 0 59 -4,-0.4 3,-2.1 1,-0.3 -1,-0.2 0.892 102.6 56.0 -60.1 -41.3 9.4 -6.2 -2.8 133 133 A P G 345S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.782 105.1 54.7 -61.4 -23.2 6.2 -5.8 -0.8 134 134 A L G <<5S- 0 0 2 -3,-1.0 -18,-0.3 -4,-0.5 -2,-0.2 0.306 125.3-105.1 -95.1 7.7 4.5 -8.2 -3.3 135 135 A G T < 5S+ 0 0 16 -3,-2.1 -17,-2.8 1,-0.3 -16,-0.2 0.446 74.9 137.1 92.3 0.9 7.2 -10.7 -2.7 136 136 A A < - 0 0 7 -5,-1.8 -1,-0.3 -19,-0.2 -16,-0.2 -0.426 60.4-123.1 -76.7 153.6 9.2 -10.3 -5.9 137 137 A I E -h 120 0C 87 -18,-3.1 -16,-2.2 -21,-0.2 2,-0.3 -0.904 40.0-131.7 -87.7 109.6 12.9 -10.1 -6.1 138 138 A P E -h 121 0C 56 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.513 29.1-176.4 -77.3 133.0 13.1 -6.7 -7.8 139 139 A V - 0 0 16 -18,-2.3 2,-1.2 -2,-0.3 -16,-0.2 -0.983 24.5-141.9-132.0 132.4 15.4 -6.6 -10.9 140 140 A H + 0 0 145 -2,-0.4 2,-0.3 -18,-0.1 -18,-0.1 -0.699 57.8 118.1 -96.0 79.4 16.3 -3.6 -13.0 141 141 A E S S- 0 0 99 -2,-1.2 12,-0.4 1,-0.1 3,-0.2 -0.959 72.9-115.6-138.9 156.2 16.4 -5.1 -16.5 142 142 A R S S+ 0 0 218 -2,-0.3 11,-1.9 1,-0.3 2,-0.4 0.916 107.5 13.2 -62.9 -41.5 14.2 -4.3 -19.6 143 143 A V E S-F 152 0A 45 9,-0.2 2,-0.5 10,-0.1 -1,-0.3 -0.989 76.7-160.7-135.7 123.5 12.7 -7.7 -19.6 144 144 A V E -F 151 0A 0 7,-3.2 7,-2.3 -2,-0.4 2,-0.4 -0.916 6.9-162.1-108.0 127.6 13.1 -10.0 -16.6 145 145 A R E +F 150 0A 89 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.914 17.2 171.0-114.5 134.6 12.6 -13.7 -16.9 146 146 A D E > S-F 149 0A 38 3,-2.5 3,-2.0 -2,-0.4 2,-0.3 -0.866 70.1 -59.0-137.1 99.5 12.0 -16.3 -14.2 147 147 A G T 3 S- 0 0 56 -2,-0.4 -1,-0.1 1,-0.3 -28,-0.0 -0.494 123.1 -14.6 59.9-119.9 11.0 -19.7 -15.5 148 148 A N T 3 S+ 0 0 64 -2,-0.3 -48,-2.3 -3,-0.1 2,-0.5 0.247 116.4 101.3-100.9 11.6 7.9 -19.0 -17.6 149 149 A L E < -eF 100 146A 7 -3,-2.0 -3,-2.5 -50,-0.2 2,-0.5 -0.857 47.7-178.5 -95.2 123.9 7.3 -15.5 -16.0 150 150 A L E -eF 101 145A 2 -50,-2.2 -48,-1.5 -2,-0.5 2,-0.4 -0.981 0.7-179.1-123.0 122.4 8.3 -12.6 -18.2 151 151 A T E -eF 102 144A 0 -7,-2.3 -7,-3.2 -2,-0.5 2,-0.4 -0.969 7.8-162.1-121.0 135.9 7.9 -9.0 -16.9 152 152 A G E -eF 103 143A 0 -50,-2.1 -48,-2.3 -2,-0.4 -9,-0.2 -0.955 8.8-155.7-120.2 134.1 8.8 -6.0 -18.9 153 153 A G + 0 0 10 -11,-1.9 -1,-0.1 -2,-0.4 -10,-0.1 0.931 67.1 56.3 -71.5 -49.2 9.4 -2.5 -17.4 154 154 A G S > S- 0 0 36 -12,-0.4 3,-1.8 -30,-0.1 4,-0.4 -0.305 90.2 -96.3-100.3 175.2 8.7 -0.1 -20.3 155 155 A I T 3 S+ 0 0 73 1,-0.3 3,-0.3 2,-0.1 -132,-0.2 0.767 120.0 32.4 -62.0 -35.9 5.9 0.7 -22.7 156 156 A T T >> S+ 0 0 55 1,-0.2 4,-1.4 2,-0.1 3,-1.3 0.246 82.5 109.1-104.5 12.9 7.1 -1.4 -25.6 157 157 A A H <> S+ 0 0 7 -3,-1.8 4,-2.8 1,-0.3 5,-0.3 0.834 75.3 60.9 -59.2 -28.9 8.8 -4.2 -23.7 158 158 A G H 3> S+ 0 0 0 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.3 0.816 97.4 57.5 -69.9 -28.0 5.9 -6.5 -24.8 159 159 A I H <> S+ 0 0 26 -3,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.956 111.5 43.5 -63.0 -46.9 6.9 -6.0 -28.5 160 160 A D H >X S+ 0 0 66 -4,-1.4 4,-1.3 1,-0.2 3,-0.7 0.943 116.3 43.8 -63.4 -51.5 10.4 -7.3 -27.6 161 161 A F H 3X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.822 103.6 66.4 -71.5 -20.8 9.3 -10.3 -25.5 162 162 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.885 100.5 51.5 -59.9 -36.4 6.6 -11.1 -28.0 163 163 A L H - 0 0 79 -5,-0.5 4,-2.1 1,-0.1 3,-0.2 -0.980 35.5 -99.7-161.2 168.4 11.1 -21.2 -34.0 172 172 A A H > S+ 0 0 59 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.875 121.0 56.6 -59.6 -37.3 13.7 -18.5 -34.3 173 173 A A H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 106.8 49.6 -63.6 -39.9 13.2 -18.4 -38.1 174 174 A T H > S+ 0 0 21 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.925 111.1 48.1 -62.7 -46.8 9.5 -17.6 -37.4 175 175 A A H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.917 113.0 48.6 -60.7 -44.4 10.3 -14.8 -35.0 176 176 A Q H X S+ 0 0 128 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.921 109.7 52.8 -62.8 -42.6 12.8 -13.4 -37.4 177 177 A R H X S+ 0 0 96 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.889 109.5 48.2 -57.4 -42.4 10.3 -13.6 -40.2 178 178 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.934 110.9 51.0 -64.7 -42.9 7.7 -11.7 -38.2 179 179 A Q H X>S+ 0 0 82 -4,-2.3 5,-2.3 1,-0.2 4,-0.8 0.890 115.3 42.9 -62.4 -40.8 10.3 -9.0 -37.3 180 180 A L H <5S+ 0 0 141 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.908 113.3 50.1 -70.4 -44.3 11.2 -8.6 -40.9 181 181 A Q H <5S+ 0 0 125 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 118.7 38.6 -64.4 -39.8 7.6 -8.6 -42.3 182 182 A L H <5S- 0 0 77 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.679 105.6-136.1 -78.7 -17.1 6.5 -6.0 -39.7 183 183 A E T <5 - 0 0 157 -4,-0.8 2,-1.0 -5,-0.3 -3,-0.2 0.949 30.2-176.6 55.4 55.5 9.9 -4.3 -40.2 184 184 A Y < + 0 0 45 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.706 20.7 146.8 -87.2 104.6 10.3 -3.7 -36.5 185 185 A A - 0 0 81 -2,-1.0 -1,-0.1 -3,-0.2 2,-0.0 -0.664 29.3-162.3-144.6 73.7 13.5 -1.7 -36.3 186 186 A P + 0 0 81 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.327 20.7 162.2 -71.7 142.6 13.5 0.8 -33.4 187 187 A A - 0 0 89 -2,-0.0 -2,-0.0 3,-0.0 0, 0.0 -0.472 23.4-155.2-157.8 80.6 15.9 3.7 -33.2 188 188 A P - 0 0 103 0, 0.0 5,-0.0 0, 0.0 0, 0.0 -0.273 15.2-138.7 -63.7 142.1 14.7 6.4 -30.8 189 189 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.440 87.8 47.9 -81.8 -1.7 16.0 10.0 -31.4 190 190 A F - 0 0 169 8,-0.0 3,-0.1 0, 0.0 8,-0.1 -0.910 69.6-143.6-130.3 167.3 16.6 10.4 -27.7 191 191 A N + 0 0 119 -2,-0.3 3,-0.3 1,-0.1 0, 0.0 -0.337 67.9 108.6-123.0 44.7 18.3 8.3 -25.0 192 192 A A + 0 0 52 1,-0.2 6,-0.2 6,-0.1 -1,-0.1 0.072 36.8 108.8-115.8 25.2 15.9 9.1 -22.1 193 193 A G S S+ 0 0 83 -3,-0.1 -1,-0.2 4,-0.1 -2,-0.0 0.501 78.0 49.4 -80.1 -5.2 14.1 5.8 -21.8 194 194 A S S >> S- 0 0 39 -3,-0.3 4,-2.3 1,-0.1 3,-1.5 -0.985 79.6-128.8-132.5 144.4 15.9 4.9 -18.6 195 195 A P T 34 S+ 0 0 37 0, 0.0 8,-0.1 0, 0.0 -1,-0.1 0.717 112.9 57.0 -63.5 -14.7 16.4 6.9 -15.4 196 196 A D T 34 S+ 0 0 147 1,-0.1 4,-0.1 7,-0.0 -4,-0.0 0.563 115.4 34.4 -89.1 -12.8 20.1 6.1 -15.7 197 197 A T T <4 S+ 0 0 66 -3,-1.5 -6,-0.1 2,-0.1 -1,-0.1 0.655 97.5 88.8-109.0 -25.0 20.4 7.6 -19.2 198 198 A A S < S- 0 0 15 -4,-2.3 -6,-0.1 -6,-0.2 5,-0.1 -0.351 92.6 -85.4 -72.1 157.2 18.0 10.6 -19.2 199 199 A P > - 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.306 37.0-121.4 -58.2 143.5 19.2 14.0 -18.0 200 200 A A H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 113.2 55.6 -57.6 -40.9 19.0 14.4 -14.2 201 201 A S H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 110.0 47.0 -59.5 -41.3 16.7 17.4 -14.5 202 202 A V H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 109.4 52.8 -66.3 -38.6 14.3 15.3 -16.6 203 203 A V H X S+ 0 0 17 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.902 110.3 48.8 -66.3 -37.6 14.5 12.4 -14.1 204 204 A Q H X S+ 0 0 109 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.917 109.0 52.0 -68.7 -46.7 13.6 14.8 -11.3 205 205 A Q H X S+ 0 0 98 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.959 112.1 46.7 -42.5 -59.1 10.7 16.3 -13.2 206 206 A A H X S+ 0 0 36 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.841 111.1 51.0 -63.0 -36.6 9.3 12.8 -13.8 207 207 A R H < S+ 0 0 147 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.901 111.5 48.8 -64.4 -41.8 9.8 11.7 -10.2 208 208 A Q H >< S+ 0 0 116 -4,-2.4 3,-0.9 1,-0.2 4,-0.4 0.907 111.1 49.3 -64.9 -43.1 7.9 14.8 -9.1 209 209 A R H 3< S+ 0 0 207 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.716 113.7 46.0 -68.9 -23.1 5.1 14.2 -11.5 210 210 A A T 3X S+ 0 0 18 -4,-1.2 4,-2.8 -5,-0.2 -1,-0.2 0.441 85.9 96.9 -95.8 -1.4 4.7 10.6 -10.4 211 211 A A H <> S+ 0 0 46 -3,-0.9 4,-2.3 -4,-0.4 -1,-0.1 0.893 84.6 43.0 -60.0 -45.7 4.8 11.3 -6.7 212 212 A D H > S+ 0 0 145 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.922 115.9 49.5 -70.4 -43.6 1.1 11.4 -6.0 213 213 A S H > S+ 0 0 39 -4,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.891 111.0 49.3 -58.0 -42.7 0.5 8.4 -8.1 214 214 A L H X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.916 109.4 53.1 -66.7 -40.3 3.3 6.5 -6.3 215 215 A H H X S+ 0 0 102 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.914 113.2 43.0 -57.2 -46.3 1.8 7.5 -3.0 216 216 A K H X S+ 0 0 114 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.927 113.8 50.5 -69.5 -45.9 -1.6 6.1 -3.9 217 217 A R H X S+ 0 0 14 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.830 107.2 54.9 -62.4 -32.4 -0.2 3.0 -5.5 218 218 A R H X S+ 0 0 82 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.931 106.9 50.2 -65.2 -47.4 1.9 2.2 -2.4 219 219 A E H X S+ 0 0 90 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.902 113.8 45.7 -54.3 -44.7 -1.2 2.4 -0.2 220 220 A I H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.921 111.6 52.7 -62.5 -46.5 -2.9 -0.0 -2.5 221 221 A T H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.895 107.2 50.8 -58.9 -42.5 0.2 -2.3 -2.7 222 222 A L H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.902 111.1 48.4 -68.5 -37.6 0.4 -2.6 1.0 223 223 A R H X S+ 0 0 96 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.919 111.9 50.0 -62.7 -42.4 -3.3 -3.5 1.3 224 224 A A H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.917 111.2 49.3 -63.4 -41.9 -2.8 -6.1 -1.5 225 225 A A H X S+ 0 0 21 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.873 107.7 53.5 -63.4 -40.5 0.2 -7.6 0.3 226 226 A A H X S+ 0 0 60 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.864 106.2 53.8 -66.4 -34.3 -1.6 -7.8 3.6 227 227 A R H X S+ 0 0 132 -4,-1.8 4,-0.8 2,-0.2 3,-0.4 0.929 109.7 47.2 -62.0 -46.5 -4.4 -9.8 1.9 228 228 A L H >< S+ 0 0 62 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.887 108.1 56.2 -60.0 -42.1 -1.8 -12.2 0.6 229 229 A A H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.791 98.5 60.2 -60.1 -30.9 -0.2 -12.5 4.0 230 230 A A H 3< 0 0 90 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.615 360.0 360.0 -88.2 -13.8 -3.5 -13.5 5.6 231 231 A G << 0 0 103 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.1 0.193 360.0 360.0 75.0 360.0 -3.2 -16.3 3.3