==== 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 3NOV . 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 . 230 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 71.3 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 . 10 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 102 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.8 8.1 25.9 -35.6 2 2 A S + 0 0 114 2,-0.1 2,-0.3 31,-0.0 31,-0.0 0.631 360.0 28.8 -65.7 -18.6 6.3 27.8 -38.4 3 3 A H S S- 0 0 116 30,-0.1 2,-0.5 0, 0.0 30,-0.0 -0.883 113.1 -79.2-129.2 166.9 3.3 26.8 -36.4 4 4 A M - 0 0 153 -2,-0.3 2,-0.7 1,-0.1 -2,-0.1 -0.598 45.2-144.1 -73.1 121.4 2.9 26.2 -32.7 5 5 A A - 0 0 14 -2,-0.5 2,-0.3 -4,-0.1 29,-0.2 -0.801 8.1-140.6 -89.6 110.5 4.3 22.7 -32.0 6 6 A V - 0 0 18 -2,-0.7 29,-2.6 26,-0.4 2,-0.6 -0.585 15.8-137.4 -71.4 131.4 2.3 21.0 -29.2 7 7 A Q E -a 35 0A 23 -2,-0.3 60,-2.5 27,-0.2 61,-1.9 -0.836 24.3-175.6 -96.6 116.9 4.7 19.0 -27.0 8 8 A I E -ab 36 68A 0 27,-2.6 29,-3.0 -2,-0.6 2,-0.4 -0.960 1.6-171.2-119.6 126.4 3.3 15.6 -26.2 9 9 A G E -ab 37 69A 0 59,-2.8 61,-2.3 -2,-0.5 2,-0.4 -0.976 11.4-166.9-127.9 135.8 5.1 13.3 -23.8 10 10 A F E -ab 38 70A 0 27,-2.5 29,-3.0 -2,-0.4 2,-0.5 -0.949 26.9-124.8-113.3 133.6 4.6 9.7 -22.8 11 11 A L E -a 39 0A 0 59,-2.1 2,-0.5 -2,-0.4 29,-0.2 -0.669 27.5-164.9 -69.8 122.4 6.3 8.1 -19.8 12 12 A L + 0 0 0 27,-2.8 44,-0.1 -2,-0.5 26,-0.0 -0.966 19.4 162.5-114.8 113.0 8.2 5.0 -21.2 13 13 A F > - 0 0 2 -2,-0.5 3,-1.8 27,-0.1 63,-0.1 -0.899 46.0 -77.6-133.0 156.5 9.3 2.7 -18.4 14 14 A P T 3 S+ 0 0 56 0, 0.0 34,-0.2 0, 0.0 35,-0.1 -0.257 115.8 14.7 -56.0 134.9 10.4 -0.9 -18.1 15 15 A E T 3 S+ 0 0 100 32,-3.0 61,-2.1 1,-0.2 60,-0.3 0.686 85.1 161.0 68.1 24.9 7.5 -3.4 -18.2 16 16 A V < - 0 0 0 -3,-1.8 33,-3.1 31,-0.3 2,-1.1 -0.407 53.1-112.8 -57.1 148.0 5.0 -0.8 -19.6 17 17 A Q >> - 0 0 71 56,-2.7 3,-1.5 31,-0.2 4,-0.6 -0.775 37.3-151.8 -81.4 101.6 2.0 -2.4 -21.3 18 18 A Q H >> S+ 0 0 45 -2,-1.1 4,-3.0 1,-0.3 3,-1.4 0.800 84.1 58.0 -61.1 -38.1 3.1 -1.1 -24.6 19 19 A L H 3> S+ 0 0 63 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.827 96.4 65.6 -62.0 -28.1 -0.3 -0.7 -26.4 20 20 A E H <4 S+ 0 0 8 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.837 116.0 29.5 -59.0 -33.2 -1.4 1.6 -23.6 21 21 A L H S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.841 114.5 61.9 -62.5 -30.7 -2.5 7.2 -28.2 25 25 A H H X S+ 0 0 44 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.951 104.4 45.6 -59.1 -50.1 1.0 7.8 -29.6 26 26 A D H < S+ 0 0 109 -4,-2.0 4,-0.4 -3,-0.2 -1,-0.2 0.873 115.9 46.8 -66.3 -34.8 0.1 7.0 -33.2 27 27 A V H >< S+ 0 0 8 -4,-1.6 3,-1.5 2,-0.2 -2,-0.2 0.969 116.8 41.8 -66.9 -53.5 -3.1 9.0 -32.9 28 28 A L H >< S+ 0 0 4 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.863 108.5 59.6 -66.0 -34.3 -1.5 12.1 -31.4 29 29 A A T 3< S+ 0 0 43 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.617 96.4 65.3 -66.1 -13.5 1.6 11.9 -33.7 30 30 A S T < S+ 0 0 41 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.469 83.4 103.0 -81.9 -7.0 -0.8 12.2 -36.6 31 31 A L S X S- 0 0 8 -3,-1.8 3,-1.1 -4,-0.2 2,-0.1 -0.381 85.0 -80.2 -86.0 157.4 -1.8 15.8 -35.6 32 32 A P T 3 S- 0 0 36 0, 0.0 -26,-0.4 0, 0.0 -1,-0.1 -0.307 100.0 -18.4 -61.5 129.1 -0.6 19.0 -37.2 33 33 A D T 3 S+ 0 0 77 1,-0.2 -30,-0.1 -28,-0.1 -4,-0.1 0.458 92.6 149.5 71.1 4.5 2.9 20.3 -36.2 34 34 A V < - 0 0 25 -3,-1.1 2,-0.4 -29,-0.2 -27,-0.2 -0.228 37.9-149.1 -74.9 161.4 3.2 18.2 -33.0 35 35 A Q E -a 7 0A 105 -29,-2.6 -27,-2.6 2,-0.0 2,-0.4 -0.993 15.0-160.2-128.6 122.7 6.4 16.9 -31.4 36 36 A V E -a 8 0A 31 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.898 4.9-163.2-113.2 130.9 6.0 13.6 -29.5 37 37 A H E -a 9 0A 28 -29,-3.0 -27,-2.5 -2,-0.4 2,-0.5 -0.882 16.9-152.0-115.9 143.9 8.4 12.4 -26.9 38 38 A L E -a 10 0A 22 -2,-0.3 19,-2.3 -29,-0.2 20,-1.7 -0.977 32.1-158.9-113.4 111.9 9.1 9.0 -25.2 39 39 A I E +ac 11 58A 0 -29,-3.0 -27,-2.8 -2,-0.5 2,-0.2 -0.827 27.1 137.8-112.0 130.7 10.5 9.9 -21.8 40 40 A W E - c 0 59A 25 18,-2.2 20,-0.9 -2,-0.4 -27,-0.1 -0.807 69.8 -77.5-145.8-173.1 12.6 7.9 -19.4 41 41 A K S S+ 0 0 128 18,-0.2 20,-0.2 -2,-0.2 18,-0.2 0.764 118.1 4.6 -61.5 -24.0 15.6 8.4 -17.1 42 42 A E S S- 0 0 110 16,-0.2 16,-0.2 17,-0.1 -1,-0.2 -0.978 85.3-101.3-154.9 151.3 17.7 8.2 -20.3 43 43 A P S S+ 0 0 71 0, 0.0 14,-0.2 0, 0.0 -4,-0.1 -0.412 77.0 67.4 -68.7 159.7 17.1 7.8 -24.0 44 44 A G E S-G 56 0B 11 12,-2.2 12,-2.9 -2,-0.1 14,-0.1 -0.698 85.7 -9.4 119.3-171.8 17.5 4.4 -25.5 45 45 A P E -G 55 0B 97 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.218 48.2-179.1 -70.4 145.2 15.9 1.0 -25.3 46 46 A V E -G 54 0B 5 8,-2.7 8,-2.9 -33,-0.1 2,-0.6 -0.988 22.5-133.8-138.3 129.4 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 -0.767 16.7-144.4 -94.2 123.6 11.6 -3.3 -22.7 48 48 A A > - 0 0 4 4,-3.0 3,-2.1 -2,-0.6 -31,-0.2 -0.177 34.9 -94.4 -74.9 170.2 7.8 -3.5 -22.5 49 49 A S T 3 S+ 0 0 46 -33,-3.1 -32,-0.1 1,-0.3 -1,-0.1 0.784 126.0 52.0 -62.4 -25.1 5.9 -6.2 -20.5 50 50 A S T 3 S- 0 0 81 -34,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.521 121.1-105.0 -82.6 -8.3 5.6 -8.4 -23.6 51 51 A G S < S+ 0 0 45 -3,-2.1 -2,-0.1 1,-0.4 2,-0.1 0.211 76.3 140.4 95.1 -15.1 9.4 -8.2 -24.4 52 52 A L - 0 0 74 -5,-0.1 -4,-3.0 1,-0.1 2,-0.5 -0.438 49.6-132.5 -60.9 135.2 8.8 -5.8 -27.3 53 53 A V E -G 47 0B 87 -6,-0.2 -6,-0.2 -2,-0.1 2,-0.2 -0.825 25.1-176.4-101.0 125.7 11.5 -3.1 -27.2 54 54 A L E -G 46 0B 29 -8,-2.9 -8,-2.7 -2,-0.5 2,-0.5 -0.640 21.3-125.6-107.6 173.4 10.7 0.6 -27.5 55 55 A Q E -G 45 0B 116 -10,-0.2 2,-0.2 -2,-0.2 -17,-0.1 -0.954 10.8-142.1-131.0 112.2 13.1 3.5 -27.6 56 56 A A E -G 44 0B 0 -12,-2.9 -12,-2.2 -2,-0.5 -17,-0.2 -0.528 8.9-163.2 -67.9 140.6 13.0 6.5 -25.3 57 57 A T + 0 0 79 -19,-2.3 2,-0.3 1,-0.2 -18,-0.2 0.567 65.6 22.0-101.1 -16.1 13.8 9.7 -27.1 58 58 A T E -c 39 0A 11 -20,-1.7 -18,-2.2 -16,-0.2 -1,-0.2 -0.996 66.7-123.9-154.3 147.8 14.6 11.9 -24.1 59 59 A S E > -c 40 0A 14 -2,-0.3 4,-0.9 -20,-0.2 -18,-0.2 -0.409 40.6-104.9 -75.4 166.3 15.7 11.9 -20.5 60 60 A F T >4 S+ 0 0 32 -20,-0.9 3,-0.9 1,-0.2 -19,-0.1 0.934 121.4 52.7 -53.8 -49.0 13.6 13.7 -17.8 61 61 A A T 34 S+ 0 0 93 1,-0.3 -1,-0.2 -20,-0.2 -20,-0.1 0.841 112.9 42.3 -63.3 -34.5 16.1 16.5 -17.7 62 62 A D T 34 S+ 0 0 125 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.2 0.507 84.9 114.2 -93.7 -2.0 16.0 17.1 -21.4 63 63 A C << - 0 0 14 -3,-0.9 3,-0.1 -4,-0.9 -54,-0.0 -0.481 67.1-124.9 -70.9 132.5 12.3 16.8 -22.0 64 64 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.230 43.9 -74.6 -64.0 164.5 10.7 20.1 -23.0 65 65 A P - 0 0 111 0, 0.0 2,-0.3 0, 0.0 -58,-0.2 -0.412 61.6-130.6 -58.5 124.0 7.9 21.6 -21.1 66 66 A L - 0 0 6 -2,-0.2 -58,-0.2 1,-0.1 3,-0.2 -0.639 27.8-169.5 -89.2 142.4 4.9 19.4 -22.0 67 67 A D S S+ 0 0 53 -60,-2.5 32,-2.3 1,-0.3 31,-0.6 0.732 89.7 26.3 -85.7 -33.9 1.5 20.5 -23.2 68 68 A V E -bd 8 99A 1 -61,-1.9 -59,-2.8 30,-0.2 2,-0.4 -0.997 69.5-174.4-130.2 125.8 0.2 16.9 -22.9 69 69 A I E -bd 9 100A 0 30,-2.2 32,-2.2 -2,-0.4 2,-0.4 -0.963 4.7-171.7-116.5 140.9 1.7 14.3 -20.5 70 70 A C E -bd 10 101A 1 -61,-2.3 -59,-2.1 -2,-0.4 32,-0.3 -0.990 10.6-161.9-135.2 125.1 0.4 10.7 -20.6 71 71 A I E - d 0 102A 0 30,-2.2 32,-2.1 -2,-0.4 35,-0.1 -0.914 15.4-159.1-103.5 104.2 1.3 8.0 -18.1 72 72 A P - 0 0 0 0, 0.0 32,-0.1 0, 0.0 2,-0.1 -0.306 12.1-132.3 -72.4 169.7 0.6 4.5 -19.5 73 73 A G + 0 0 0 -56,-0.2 -56,-2.7 82,-0.1 2,-0.2 -0.156 40.2 119.7-106.2-158.5 0.2 1.5 -17.2 74 74 A G S > S- 0 0 9 -58,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.613 78.6 -50.2 121.9 178.6 1.4 -2.1 -17.0 75 75 A T T > S+ 0 0 81 -60,-0.3 3,-1.3 1,-0.3 4,-0.4 0.824 125.7 67.4 -54.2 -35.5 3.3 -4.3 -14.6 76 76 A G T 3> S+ 0 0 5 -61,-2.1 4,-1.7 1,-0.3 -1,-0.3 0.569 76.8 84.7 -68.3 -7.1 6.0 -1.7 -14.4 77 77 A V H <> S+ 0 0 0 -3,-2.3 4,-2.2 -62,-0.3 -1,-0.3 0.842 79.0 64.8 -62.2 -35.5 3.7 0.8 -12.6 78 78 A G H <4 S+ 0 0 8 -3,-1.3 4,-0.3 -4,-0.3 -1,-0.2 0.946 107.0 40.9 -57.9 -45.0 4.5 -0.8 -9.2 79 79 A A H >4 S+ 0 0 74 -4,-0.4 3,-1.8 -3,-0.2 -1,-0.2 0.912 112.7 55.5 -63.7 -43.6 8.1 0.3 -9.4 80 80 A L H >< S+ 0 0 4 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.842 95.5 66.2 -63.5 -32.1 7.3 3.7 -10.8 81 81 A M T 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.633 111.3 35.3 -65.6 -13.4 5.0 4.5 -7.9 82 82 A E T < S+ 0 0 55 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.073 87.3 114.7-124.3 20.3 8.0 4.5 -5.6 83 83 A D <> - 0 0 42 -3,-1.6 4,-2.6 1,-0.2 5,-0.3 -0.811 50.1-162.5 -94.4 101.6 10.5 6.0 -8.1 84 84 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.905 86.4 47.0 -58.2 -41.6 11.4 9.4 -6.6 85 85 A Q H > S+ 0 0 141 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.960 113.1 48.1 -65.2 -48.0 12.9 10.9 -9.8 86 86 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 112.8 48.4 -59.6 -41.5 10.0 9.7 -12.0 87 87 A L H X S+ 0 0 30 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.910 110.9 50.7 -66.9 -37.9 7.4 11.1 -9.5 88 88 A A H X S+ 0 0 36 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.915 110.6 49.7 -65.5 -40.6 9.2 14.4 -9.3 89 89 A F H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.935 111.2 48.6 -60.6 -47.5 9.4 14.7 -13.1 90 90 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.932 111.6 49.9 -61.8 -43.6 5.7 14.0 -13.4 91 91 A R H X S+ 0 0 133 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.941 111.0 49.0 -54.9 -52.0 4.9 16.6 -10.7 92 92 A Q H >X S+ 0 0 132 -4,-2.7 4,-0.6 1,-0.2 3,-0.6 0.953 115.9 42.9 -54.8 -51.2 7.0 19.2 -12.4 93 93 A Q H >X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.3 3,-0.9 0.876 111.3 53.8 -63.8 -42.5 5.4 18.6 -15.8 94 94 A A H 3< S+ 0 0 13 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.749 91.8 76.2 -67.6 -22.4 1.8 18.3 -14.4 95 95 A A H << S+ 0 0 79 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.878 118.7 8.7 -59.8 -33.9 2.2 21.7 -12.7 96 96 A R H << S+ 0 0 232 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.538 92.7 121.4-126.7 -8.3 1.7 23.5 -16.0 97 97 A A < - 0 0 4 -4,-2.0 -30,-0.2 1,-0.2 -29,-0.1 -0.319 58.9-138.1 -57.5 142.4 0.7 20.9 -18.7 98 98 A R S S+ 0 0 188 -31,-0.6 2,-0.4 1,-0.2 -30,-0.2 0.868 91.4 30.8 -67.6 -37.4 -2.6 21.8 -20.3 99 99 A Y E -d 68 0A 19 -32,-2.3 -30,-2.2 -33,-0.1 2,-0.5 -0.992 62.1-171.3-130.2 132.9 -3.5 18.1 -20.2 100 100 A V E +de 69 149A 8 48,-2.3 50,-2.4 -2,-0.4 2,-0.3 -0.984 26.4 166.9-119.2 117.6 -2.5 15.4 -17.6 101 101 A T E -de 70 150A 1 -32,-2.2 -30,-2.2 -2,-0.5 2,-0.3 -0.887 16.6-179.7-136.8 161.9 -3.5 11.9 -18.7 102 102 A S E -de 71 151A 0 48,-1.6 50,-2.5 -2,-0.3 2,-0.4 -0.987 17.6-137.9-157.2 164.5 -3.1 8.2 -18.0 103 103 A V E > - e 0 152A 0 -32,-2.1 3,-2.6 -2,-0.3 50,-0.2 -0.984 65.7 -37.0-129.5 136.5 -4.1 4.8 -19.1 104 104 A C T > S- 0 0 3 48,-1.8 3,-1.7 -2,-0.4 4,-0.2 -0.210 132.6 -2.4 49.9-131.6 -5.0 1.8 -16.8 105 105 A T T >> S+ 0 0 5 1,-0.3 3,-1.3 18,-0.2 4,-0.8 0.532 111.1 93.0 -76.8 4.6 -2.7 1.8 -13.7 106 106 A G H X> S+ 0 0 0 -3,-2.6 4,-1.8 1,-0.3 3,-0.6 0.823 78.0 64.1 -54.9 -30.5 -0.9 4.8 -15.0 107 107 A S H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.808 92.9 60.4 -67.1 -25.3 -3.4 6.8 -12.9 108 108 A L H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.821 102.6 52.4 -70.0 -26.6 -1.9 5.1 -9.8 109 109 A V H S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 6,-0.3 0.918 112.2 51.1 -52.6 -43.4 -0.4 10.1 -11.0 111 111 A G H ><5S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.925 107.3 50.3 -62.0 -45.0 -1.9 9.3 -7.6 112 112 A A H 3<5S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 106.2 57.9 -62.3 -29.7 1.5 8.5 -6.1 113 113 A A T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.383 121.0-110.8 -79.8 0.8 2.7 11.8 -7.4 114 114 A G T < 5S+ 0 0 15 -3,-1.9 3,-0.4 -5,-0.1 -3,-0.2 0.638 84.8 121.2 81.8 17.3 -0.1 13.5 -5.4 115 115 A L < + 0 0 38 -5,-2.5 -4,-0.2 1,-0.2 -5,-0.1 0.425 62.2 59.6 -98.9 1.7 -2.1 14.5 -8.5 116 116 A L > + 0 0 0 18,-0.3 3,-2.4 -6,-0.3 2,-0.3 0.389 65.5 137.8-109.1 7.2 -5.3 12.8 -7.8 117 117 A Q T 3 S- 0 0 104 -3,-0.4 19,-0.2 1,-0.3 18,-0.1 -0.312 89.0 -12.1 -62.5 113.1 -6.2 14.5 -4.5 118 118 A G T 3 S+ 0 0 52 17,-2.7 2,-0.4 -2,-0.3 -1,-0.3 0.622 108.6 129.8 71.9 15.4 -9.9 15.3 -4.6 119 119 A K < - 0 0 76 -3,-2.4 18,-2.6 16,-0.2 2,-0.3 -0.821 63.7-119.0-103.1 140.1 -10.1 14.4 -8.3 120 120 A R E +h 137 0C 87 -2,-0.4 2,-0.3 16,-0.2 31,-0.1 -0.608 53.0 152.1 -70.5 132.1 -12.5 12.1 -10.1 121 121 A A E -h 138 0C 0 16,-2.2 18,-2.3 -2,-0.3 2,-0.2 -0.988 31.6-152.7-158.7 159.2 -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 -0.740 10.0-178.8-125.3 177.7 -10.5 5.8 -12.8 123 123 A T - 0 0 2 -2,-0.2 -18,-0.2 16,-0.2 5,-0.1 -0.905 52.0 -42.1-157.2-177.4 -7.9 3.0 -13.3 124 124 A H > - 0 0 57 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.332 59.2-120.3 -56.4 137.2 -7.8 -0.6 -14.5 125 125 A W G > S+ 0 0 83 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.792 109.4 59.2 -55.6 -33.0 -10.8 -2.4 -13.1 126 126 A A G 3 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.697 115.0 35.8 -72.5 -14.4 -8.7 -5.0 -11.2 127 127 A Y G X S+ 0 0 29 -3,-2.1 3,-2.4 1,-0.1 -1,-0.2 0.136 77.3 119.4-120.3 14.2 -7.0 -2.2 -9.2 128 128 A H G X + 0 0 18 -3,-1.1 3,-1.6 1,-0.3 4,-0.4 0.768 66.2 67.9 -62.9 -26.1 -9.9 0.2 -8.7 129 129 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.572 88.8 68.9 -66.3 -10.8 -9.8 -0.1 -4.9 130 130 A L G < S+ 0 0 2 -3,-2.4 4,-0.4 1,-0.2 -1,-0.3 0.496 82.3 73.9 -89.2 -3.1 -6.4 1.7 -5.0 131 131 A L S X >S+ 0 0 0 -3,-1.6 5,-1.8 2,-0.2 3,-1.3 0.931 89.1 54.4 -73.1 -51.4 -7.8 5.0 -6.1 132 132 A A G > 5S+ 0 0 58 -4,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.892 102.5 56.4 -56.0 -43.2 -9.3 6.2 -2.8 133 133 A P G 3 5S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.767 105.7 53.6 -60.1 -22.3 -6.1 5.7 -0.8 134 134 A L G < 5S- 0 0 0 -3,-1.3 -18,-0.3 -4,-0.4 -2,-0.2 0.250 126.3-102.8 -94.0 10.6 -4.4 8.1 -3.3 135 135 A G T < 5S+ 0 0 21 -3,-2.2 -17,-2.7 1,-0.3 -16,-0.2 0.419 75.0 139.2 90.7 -2.8 -7.2 10.7 -2.6 136 136 A A < - 0 0 8 -5,-1.8 -1,-0.3 -19,-0.2 -16,-0.2 -0.453 58.8-125.6 -75.2 152.9 -9.2 10.2 -5.8 137 137 A I E -h 120 0C 86 -18,-2.6 -16,-2.2 -21,-0.2 2,-0.3 -0.882 40.8-131.2 -87.0 104.9 -12.9 10.1 -6.1 138 138 A P E -h 121 0C 58 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.532 30.1-177.3 -74.2 131.0 -13.2 6.7 -7.8 139 139 A V - 0 0 15 -18,-2.3 2,-1.1 -2,-0.3 -16,-0.2 -0.982 24.6-142.5-128.7 134.1 -15.4 6.6 -10.9 140 140 A H + 0 0 148 -2,-0.4 2,-0.3 -18,-0.1 -18,-0.1 -0.717 57.3 117.1 -97.6 82.0 -16.3 3.6 -13.0 141 141 A E S S- 0 0 100 -2,-1.1 12,-0.2 1,-0.1 3,-0.2 -0.967 73.3-113.8-139.6 158.8 -16.3 5.1 -16.5 142 142 A R S S+ 0 0 221 -2,-0.3 11,-2.7 1,-0.3 12,-0.4 0.881 106.8 13.3 -64.4 -42.4 -14.2 4.3 -19.6 143 143 A V E S-F 152 0A 47 9,-0.2 2,-0.5 10,-0.1 -1,-0.3 -0.981 75.4-160.8-133.6 122.0 -12.5 7.8 -19.5 144 144 A V E -F 151 0A 0 7,-2.8 7,-2.6 -2,-0.4 2,-0.5 -0.915 7.2-166.3-108.4 126.8 -12.9 10.1 -16.5 145 145 A R E +F 150 0A 88 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.944 16.3 172.2-117.1 131.2 -12.3 13.8 -16.9 146 146 A D E > S-F 149 0A 44 3,-2.4 3,-2.1 -2,-0.5 2,-0.2 -0.912 71.8 -56.8-134.6 103.1 -11.9 16.2 -14.1 147 147 A G T 3 S- 0 0 55 -2,-0.4 -48,-0.0 1,-0.3 -28,-0.0 -0.483 123.4 -14.2 60.7-125.2 -10.8 19.6 -15.6 148 148 A N T 3 S+ 0 0 62 -2,-0.2 -48,-2.3 -3,-0.1 2,-0.5 0.187 116.4 100.7 -89.6 4.1 -7.6 18.9 -17.6 149 149 A L E < -eF 100 146A 5 -3,-2.1 -3,-2.4 -50,-0.2 2,-0.5 -0.859 48.3-179.2 -94.7 123.4 -7.1 15.5 -16.0 150 150 A L E -eF 101 145A 2 -50,-2.4 -48,-1.6 -2,-0.5 2,-0.5 -0.980 2.5-175.2-126.2 118.7 -8.2 12.5 -18.1 151 151 A T E -eF 102 144A 0 -7,-2.6 -7,-2.8 -2,-0.5 2,-0.4 -0.956 10.2-154.0-115.0 128.9 -7.8 9.0 -16.8 152 152 A G E -eF 103 143A 0 -50,-2.5 -48,-1.8 -2,-0.5 -9,-0.2 -0.851 4.7-155.8-103.5 136.4 -8.6 6.0 -19.0 153 153 A G + 0 0 11 -11,-2.7 2,-0.2 -2,-0.4 -1,-0.1 0.928 68.3 43.2 -72.0 -50.5 -9.7 2.7 -17.5 154 154 A G S > S- 0 0 34 -12,-0.4 3,-2.2 -30,-0.1 4,-0.4 -0.471 92.2 -89.5-110.8 173.3 -8.7 0.1 -20.1 155 155 A I T 3 S+ 0 0 71 1,-0.3 3,-0.3 -2,-0.2 -132,-0.2 0.754 120.8 32.0 -57.0 -39.2 -5.9 -0.7 -22.5 156 156 A T T >> S+ 0 0 50 1,-0.2 3,-1.5 2,-0.1 4,-1.3 0.252 81.9 110.8-103.9 15.4 -7.0 1.4 -25.5 157 157 A A H <> S+ 0 0 7 -3,-2.2 4,-2.8 1,-0.3 5,-0.2 0.832 73.7 62.0 -58.7 -31.3 -8.7 4.2 -23.7 158 158 A G H 3> S+ 0 0 0 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.3 0.781 96.7 57.4 -64.6 -29.5 -5.8 6.5 -24.8 159 159 A I H <> S+ 0 0 24 -3,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.943 111.7 43.0 -60.8 -45.8 -6.8 6.0 -28.4 160 160 A D H >X S+ 0 0 74 -4,-1.3 4,-1.1 1,-0.2 3,-0.8 0.950 116.5 44.2 -67.6 -50.4 -10.2 7.3 -27.6 161 161 A F H 3X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.787 103.2 67.2 -70.6 -22.3 -9.2 10.2 -25.4 162 162 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.865 99.3 51.7 -58.5 -35.8 -6.5 11.1 -27.9 163 163 A L H S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.5 0.915 107.2 50.5 -55.0 -44.9 -7.2 16.3 -30.9 167 167 A A H <5S+ 0 0 33 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.853 115.9 40.7 -66.3 -35.0 -10.5 18.1 -31.1 168 168 A E H <5S+ 0 0 93 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.854 117.4 45.7 -83.4 -38.1 -9.7 20.6 -28.3 169 169 A L H <5S+ 0 0 48 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.833 139.6 2.2 -68.8 -34.8 -6.1 21.3 -29.4 170 170 A F T <5S- 0 0 56 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.577 110.9 -77.0-116.1 -95.4 -7.1 21.7 -33.1 171 171 A D >< - 0 0 81 -5,-0.5 4,-2.0 1,-0.1 3,-0.3 -0.957 37.5 -94.1-166.4 168.7 -10.8 21.3 -33.9 172 172 A A H > S+ 0 0 58 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.896 121.4 57.5 -59.2 -40.4 -13.4 18.6 -34.3 173 173 A A H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 106.3 50.4 -60.8 -35.5 -12.9 18.4 -38.0 174 174 A T H > S+ 0 0 21 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.921 110.5 48.4 -67.6 -45.2 -9.2 17.6 -37.4 175 175 A A H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.933 113.6 47.6 -60.2 -45.0 -10.0 14.9 -35.0 176 176 A Q H X S+ 0 0 125 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.900 109.3 53.5 -63.5 -41.1 -12.6 13.4 -37.4 177 177 A R H X S+ 0 0 100 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.905 110.0 47.7 -59.1 -44.6 -10.1 13.6 -40.2 178 178 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.933 110.9 51.1 -64.8 -44.0 -7.5 11.7 -38.2 179 179 A Q H X>S+ 0 0 79 -4,-2.5 5,-2.3 1,-0.2 4,-1.1 0.912 115.5 42.6 -58.4 -40.4 -10.1 9.1 -37.2 180 180 A L H <5S+ 0 0 138 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.899 112.8 51.4 -73.3 -42.7 -11.0 8.6 -40.9 181 181 A Q H <5S+ 0 0 126 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.881 118.2 38.7 -62.8 -38.7 -7.5 8.7 -42.3 182 182 A L H <5S- 0 0 78 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.687 105.1-134.8 -78.8 -21.5 -6.4 6.0 -39.7 183 183 A E T <5 - 0 0 160 -4,-1.1 2,-1.0 -5,-0.3 -3,-0.2 0.954 30.7-176.4 60.2 54.3 -9.8 4.2 -40.2 184 184 A Y < + 0 0 47 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.753 22.4 144.4 -85.6 102.3 -10.2 3.8 -36.5 185 185 A A - 0 0 79 -2,-1.0 -1,-0.1 -3,-0.1 -5,-0.0 -0.626 30.4-163.7-144.1 69.5 -13.5 1.8 -36.3 186 186 A P + 0 0 82 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.281 20.2 163.4 -68.1 148.0 -13.3 -0.8 -33.5 187 187 A A - 0 0 87 -2,-0.0 -2,-0.0 3,-0.0 0, 0.0 -0.542 23.7-153.5-160.3 81.2 -15.7 -3.7 -33.2 188 188 A P - 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.326 14.6-137.4 -63.2 144.2 -14.5 -6.4 -30.8 189 189 A P S S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.493 87.9 45.4 -82.3 0.7 -15.7 -9.9 -31.5 190 190 A F - 0 0 167 8,-0.0 3,-0.1 0, 0.0 8,-0.1 -0.913 69.4-142.5-134.0 162.7 -16.4 -10.5 -27.7 191 191 A N + 0 0 121 -2,-0.3 3,-0.2 6,-0.1 0, 0.0 -0.324 68.6 109.2-118.5 45.6 -18.1 -8.4 -25.0 192 192 A A + 0 0 50 1,-0.2 6,-0.2 6,-0.1 -1,-0.1 0.060 37.5 107.3-111.8 24.6 -15.7 -9.3 -22.2 193 193 A G S S+ 0 0 80 -3,-0.1 -1,-0.2 4,-0.1 -2,-0.0 0.361 78.8 47.9 -85.7 3.5 -13.9 -5.9 -21.8 194 194 A S S >> S- 0 0 42 -3,-0.2 4,-2.4 -40,-0.0 3,-1.6 -0.991 79.6-129.7-137.1 143.0 -15.7 -5.0 -18.5 195 195 A P T 34 S+ 0 0 35 0, 0.0 8,-0.1 0, 0.0 -2,-0.0 0.668 111.2 60.0 -66.4 -13.0 -16.2 -7.2 -15.4 196 196 A D T 34 S+ 0 0 150 1,-0.1 4,-0.1 7,-0.0 -4,-0.0 0.618 115.5 30.3 -86.9 -14.7 -19.9 -6.2 -15.7 197 197 A T T <4 S+ 0 0 68 -3,-1.6 -6,-0.1 2,-0.1 -1,-0.1 0.627 98.5 91.8-118.6 -22.6 -20.3 -7.8 -19.2 198 198 A A S < S- 0 0 14 -4,-2.4 -6,-0.1 -6,-0.2 5,-0.0 -0.372 92.9 -86.3 -66.1 155.5 -17.8 -10.7 -19.2 199 199 A P > - 0 0 72 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.326 37.0-118.4 -58.3 145.8 -19.0 -14.1 -18.1 200 200 A A H > S+ 0 0 82 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.863 114.8 55.7 -55.4 -38.3 -18.9 -14.6 -14.4 201 201 A S H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.914 107.9 48.6 -63.0 -39.4 -16.5 -17.5 -14.8 202 202 A V H > S+ 0 0 69 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.914 110.4 50.6 -66.8 -40.5 -14.1 -15.3 -16.8 203 203 A V H X S+ 0 0 12 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.930 110.1 50.3 -62.0 -43.4 -14.3 -12.5 -14.1 204 204 A Q H X S+ 0 0 104 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.933 111.0 49.2 -62.0 -44.1 -13.5 -15.1 -11.4 205 205 A Q H X S+ 0 0 85 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.929 113.4 46.0 -57.9 -46.7 -10.5 -16.3 -13.4 206 206 A A H X S+ 0 0 36 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.916 112.1 52.3 -65.2 -43.4 -9.2 -12.8 -14.0 207 207 A R H >X S+ 0 0 149 -4,-3.0 3,-0.8 -5,-0.2 4,-0.7 0.976 111.5 45.2 -46.3 -63.6 -9.8 -11.9 -10.4 208 208 A Q H >< S+ 0 0 111 -4,-2.8 3,-0.9 1,-0.3 4,-0.4 0.861 112.0 52.9 -58.2 -38.1 -7.8 -14.9 -9.2 209 209 A R H 3< S+ 0 0 206 -4,-2.3 4,-0.3 1,-0.3 -1,-0.3 0.782 111.6 45.5 -70.8 -28.2 -5.0 -14.3 -11.7 210 210 A A H S+ 0 0 142 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 0.951 115.6 48.8 -67.1 -42.6 -0.9 -11.4 -6.1 213 213 A S H > S+ 0 0 42 -4,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.915 112.2 49.4 -59.6 -42.1 -0.3 -8.3 -8.2 214 214 A L H X S+ 0 0 26 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.928 109.0 52.7 -61.7 -44.1 -3.2 -6.6 -6.5 215 215 A H H X S+ 0 0 104 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.932 114.0 42.1 -57.8 -46.5 -1.8 -7.5 -3.1 216 216 A K H X S+ 0 0 96 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 113.8 51.3 -66.0 -44.6 1.7 -6.1 -3.9 217 217 A R H X S+ 0 0 9 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.852 107.3 54.7 -65.2 -31.1 0.2 -3.0 -5.6 218 218 A R H X S+ 0 0 82 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.923 107.3 49.6 -65.4 -45.0 -1.9 -2.4 -2.5 219 219 A E H X S+ 0 0 82 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.941 113.7 46.4 -57.4 -46.6 1.2 -2.5 -0.3 220 220 A I H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.918 111.0 52.3 -60.7 -45.5 2.9 -0.0 -2.6 221 221 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.907 107.8 51.0 -60.3 -43.4 -0.1 2.2 -2.8 222 222 A L H X S+ 0 0 95 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.904 110.6 48.8 -66.8 -36.7 -0.4 2.4 1.0 223 223 A R H X S+ 0 0 92 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.920 112.1 49.6 -63.2 -43.2 3.3 3.4 1.3 224 224 A A H X S+ 0 0 4 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.906 110.6 49.8 -61.6 -43.6 2.8 6.0 -1.4 225 225 A A H X S+ 0 0 21 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.911 107.6 53.9 -61.2 -43.3 -0.2 7.4 0.4 226 226 A A H X S+ 0 0 58 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.869 106.3 52.7 -62.9 -36.0 1.7 7.6 3.7 227 227 A R H < S+ 0 0 132 -4,-1.9 3,-0.4 2,-0.2 -1,-0.2 0.925 110.2 47.3 -63.5 -44.4 4.4 9.7 2.0 228 228 A L H < S+ 0 0 64 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.895 108.9 55.1 -63.1 -39.7 1.8 12.1 0.7 229 229 A A H < 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.706 360.0 360.0 -67.2 -23.1 0.2 12.3 4.1 230 230 A A < 0 0 119 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.575 360.0 360.0 -94.8 360.0 3.6 13.3 5.7