==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 17-DEC-10 3Q1C . COMPND 2 MOLECULE: LEE-ENCODED EFFECTOR ESPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O127:H6; . AUTHOR B.W.SPILLER,K.L.GERMANE . 351 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 18.5 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 . 4 1.1 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 26.2 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+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 1 1 1 2 1 4 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 1 2 1 0 0 2 2 1 0 0 0 1 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 1 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 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 39 A S 0 0 89 0, 0.0 6,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 143.3 76.7 64.5 -7.2 2 40 A H + 0 0 107 1,-0.1 3,-0.1 3,-0.0 0, 0.0 0.558 360.0 58.6 -80.8 -6.0 75.2 60.9 -7.3 3 41 A M S S- 0 0 10 1,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.864 124.4 -24.6 -85.6 -42.8 71.8 62.5 -7.6 4 42 A A > - 0 0 26 1,-0.1 3,-1.6 0, 0.0 -1,-0.4 -0.929 53.8-117.2-170.5 145.0 72.2 64.5 -10.8 5 43 A S T 3 S+ 0 0 126 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.827 120.1 42.4 -62.8 -28.6 75.1 66.1 -12.7 6 44 A S T >> S+ 0 0 65 1,-0.2 3,-1.9 2,-0.1 4,-0.9 0.138 77.9 121.7-101.8 19.8 73.5 69.5 -12.1 7 45 A W G X4 S+ 0 0 29 -3,-1.6 3,-1.2 1,-0.3 -1,-0.2 0.874 70.6 54.6 -49.7 -47.0 72.5 68.9 -8.5 8 46 A D G 34 S+ 0 0 127 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.657 110.0 47.8 -68.8 -14.1 74.5 71.8 -7.0 9 47 A E G <4 S+ 0 0 145 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.550 91.1 104.5 -97.5 -10.6 72.7 74.2 -9.4 10 48 A M S << S- 0 0 35 -3,-1.2 2,-0.0 -4,-0.9 -3,-0.0 -0.434 70.6-121.7 -76.6 143.7 69.2 72.9 -8.7 11 49 A S > - 0 0 8 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.259 30.9-101.8 -71.0 167.0 66.8 74.8 -6.5 12 50 A C H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 124.7 52.0 -54.9 -45.5 65.3 73.4 -3.3 13 51 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 111.6 45.4 -58.1 -47.6 62.0 72.7 -5.2 14 52 A E H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 111.9 52.8 -64.9 -40.8 63.9 70.8 -8.0 15 53 A K H X S+ 0 0 51 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.925 107.4 50.8 -59.9 -46.8 66.0 68.9 -5.5 16 54 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.927 108.8 51.5 -60.9 -43.6 62.9 67.7 -3.6 17 55 A L H X S+ 0 0 19 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.904 110.5 49.1 -59.5 -39.9 61.3 66.5 -6.8 18 56 A K H X S+ 0 0 69 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.921 109.6 51.8 -64.2 -44.5 64.4 64.5 -7.7 19 57 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.931 112.6 45.5 -55.0 -47.3 64.6 63.0 -4.2 20 58 A L H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.831 107.5 57.8 -70.7 -31.3 60.9 61.8 -4.6 21 59 A S H < S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.908 114.5 37.2 -65.4 -41.7 61.5 60.5 -8.1 22 60 A F H < S- 0 0 80 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.771 131.6-100.6 -73.3 -28.8 64.2 58.2 -6.8 23 61 A G >< - 0 0 2 -4,-1.8 3,-1.8 -5,-0.3 -2,-0.1 0.161 11.3-112.8 112.9 131.7 62.1 57.7 -3.7 24 62 A L T 3 S+ 0 0 1 75,-0.6 -4,-0.1 1,-0.3 -1,-0.1 0.864 120.9 47.6 -56.8 -36.2 62.3 59.2 -0.2 25 63 A W T 3 S+ 0 0 63 74,-0.4 -1,-0.3 -5,-0.1 -2,-0.1 0.110 79.7 152.0 -93.9 21.0 63.2 55.7 1.1 26 64 A N X - 0 0 36 -3,-1.8 3,-1.1 -7,-0.2 -3,-0.1 -0.289 44.9-139.3 -57.8 131.9 65.8 55.0 -1.6 27 65 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.634 93.2 66.4 -72.1 -13.4 68.4 52.6 -0.2 28 66 A T T 3 S+ 0 0 94 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.619 76.0 107.0 -82.1 -14.7 71.4 54.5 -1.7 29 67 A Y < - 0 0 12 -3,-1.1 2,-0.1 1,-0.1 -5,-0.0 -0.334 66.6-128.3 -66.2 145.9 71.1 57.6 0.4 30 68 A S > - 0 0 48 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.386 27.2-103.2 -82.0 168.1 73.5 58.3 3.2 31 69 A R H > S+ 0 0 189 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.926 124.1 49.9 -54.7 -47.4 72.6 59.2 6.8 32 70 A S H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 110.1 51.3 -62.8 -38.1 73.4 62.9 6.1 33 71 A E H > S+ 0 0 34 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.916 105.0 54.8 -64.3 -45.6 71.3 62.9 3.0 34 72 A R H X S+ 0 0 86 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.894 110.5 48.0 -57.4 -37.2 68.3 61.4 4.7 35 73 A Q H X S+ 0 0 98 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.944 113.5 45.6 -65.2 -49.4 68.5 64.3 7.2 36 74 A S H X S+ 0 0 59 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.895 112.2 51.4 -60.9 -42.7 68.8 66.9 4.5 37 75 A F H X S+ 0 0 8 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.856 106.1 54.3 -68.2 -34.8 66.0 65.4 2.5 38 76 A Q H X S+ 0 0 50 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.871 104.0 56.6 -62.3 -36.5 63.7 65.4 5.6 39 77 A E H < S+ 0 0 108 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.785 110.1 44.5 -67.5 -28.3 64.4 69.1 5.9 40 78 A L H >< S+ 0 0 24 -4,-1.2 3,-1.5 -3,-0.2 4,-0.4 0.903 111.7 53.1 -74.8 -44.9 63.1 69.6 2.4 41 79 A L H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.837 97.9 63.5 -60.3 -35.8 60.1 67.3 2.9 42 80 A T T 3< S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.634 90.3 69.0 -70.1 -11.8 59.0 69.2 6.1 43 81 A V T < S+ 0 0 40 -3,-1.5 17,-0.5 -4,-0.2 -1,-0.3 0.711 75.6 104.2 -75.6 -22.3 58.4 72.3 3.9 44 82 A L < - 0 0 0 -3,-1.7 15,-0.2 -4,-0.4 136,-0.1 -0.399 53.3-172.9 -60.8 132.9 55.5 70.5 2.2 45 83 A E E -A 58 0A 11 13,-2.3 13,-2.8 -2,-0.1 2,-0.2 -0.994 23.6-126.8-131.7 129.1 52.1 71.9 3.4 46 84 A P E -A 57 0A 7 0, 0.0 2,-0.3 0, 0.0 11,-0.3 -0.539 38.6-179.0 -69.0 139.8 48.7 70.5 2.7 47 85 A V E -A 56 0A 24 9,-2.8 9,-0.5 -2,-0.2 249,-0.1 -0.810 38.4 -54.7-134.4 174.7 46.4 73.3 1.4 48 86 A Y - 0 0 65 247,-0.3 2,-0.2 -2,-0.3 249,-0.1 -0.274 60.5-136.0 -53.5 122.4 42.8 74.0 0.2 49 87 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.542 10.1-118.7 -85.2 148.3 42.1 71.5 -2.6 50 88 A L > - 0 0 80 -2,-0.2 3,-1.9 5,-0.1 5,-0.0 -0.421 46.6 -83.2 -77.8 162.4 40.3 72.3 -5.9 51 89 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.751 124.0 31.2 -35.1 -59.0 37.0 70.6 -6.7 52 90 A N T 3 S+ 0 0 106 3,-0.0 21,-1.0 20,-0.0 2,-0.4 -0.096 95.4 114.8-101.3 37.0 38.2 67.3 -8.2 53 91 A E E < - B 0 72A 24 -3,-1.9 19,-0.3 19,-0.2 3,-0.1 -0.882 55.5-155.6-111.9 135.2 41.4 66.9 -6.2 54 92 A L E S- 0 0 6 17,-2.4 54,-0.5 -2,-0.4 2,-0.3 0.838 84.7 -29.2 -63.8 -35.6 42.3 64.2 -3.6 55 93 A G E - B 0 71A 7 16,-1.3 16,-2.4 52,-0.1 2,-0.4 -0.980 52.2-140.9-174.4 163.3 44.7 66.8 -2.3 56 94 A R E -AB 47 70A 51 -9,-0.5 -9,-2.8 -2,-0.3 2,-0.4 -0.997 17.0-164.5-140.2 139.8 46.9 69.8 -3.0 57 95 A V E -AB 46 69A 0 12,-2.9 12,-3.0 -2,-0.4 2,-0.4 -0.954 2.8-164.8-129.6 142.7 50.3 70.6 -1.5 58 96 A S E -AB 45 68A 31 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.4 -0.982 4.1-175.9-126.8 139.4 52.4 73.8 -1.3 59 97 A A E - B 0 67A 1 8,-2.4 8,-2.3 -2,-0.4 2,-0.6 -0.969 4.2-173.5-136.9 120.9 56.0 74.2 -0.5 60 98 A R E - B 0 66A 111 -17,-0.5 6,-0.2 -2,-0.4 2,-0.1 -0.932 19.6-155.3-116.3 107.2 57.8 77.5 -0.2 61 99 A F > - 0 0 13 4,-2.3 3,-2.0 -2,-0.6 -21,-0.0 -0.374 26.6-112.9 -87.0 159.9 61.5 77.1 0.2 62 100 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.681 114.0 61.3 -64.6 -20.4 64.1 79.3 1.8 63 101 A D T 3 S- 0 0 59 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.372 120.5-105.5 -86.8 4.0 65.8 79.9 -1.6 64 102 A G S < S+ 0 0 37 -3,-2.0 22,-0.2 1,-0.3 -2,-0.1 0.325 83.0 123.7 89.9 -8.6 62.7 81.4 -3.0 65 103 A S - 0 0 1 20,-0.1 -4,-2.3 -5,-0.1 -1,-0.3 -0.422 39.8-171.8 -77.7 161.6 61.8 78.4 -5.1 66 104 A S E -BC 60 82A 16 16,-2.2 16,-2.6 -6,-0.2 2,-0.4 -0.984 17.9-146.8-152.4 162.1 58.4 76.7 -4.6 67 105 A L E -BC 59 81A 1 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.4 -0.984 3.3-169.2-128.8 142.3 56.2 73.8 -5.5 68 106 A R E -BC 58 80A 120 12,-1.8 12,-2.9 -2,-0.4 2,-0.5 -0.988 17.9-173.8-124.6 122.7 52.5 73.4 -6.0 69 107 A I E -BC 57 79A 1 -12,-3.0 -12,-2.9 -2,-0.4 2,-0.4 -0.961 5.9-172.6-121.9 129.7 51.4 69.8 -6.3 70 108 A S E -BC 56 78A 15 8,-2.6 8,-2.3 -2,-0.5 2,-0.5 -0.935 6.9-161.2-119.5 146.2 47.9 68.5 -7.1 71 109 A V E -BC 55 77A 0 -16,-2.4 -17,-2.4 -2,-0.4 -16,-1.3 -0.990 13.4-146.4-125.8 123.2 46.7 64.9 -7.0 72 110 A T E > -B 53 0A 38 4,-2.4 3,-2.2 -2,-0.5 -19,-0.2 -0.309 33.5-100.1 -81.7 170.2 43.5 64.0 -8.9 73 111 A N T 3 S+ 0 0 104 -21,-1.0 37,-0.1 1,-0.3 -20,-0.1 0.716 126.9 55.5 -63.0 -20.6 41.0 61.4 -7.7 74 112 A S T 3 S- 0 0 101 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.251 122.5-110.0 -92.8 10.9 42.6 58.9 -10.2 75 113 A E < + 0 0 61 -3,-2.2 2,-0.4 1,-0.3 20,-0.2 0.757 63.7 155.9 62.6 29.2 46.0 59.6 -8.4 76 114 A S - 0 0 59 18,-0.1 -4,-2.4 16,-0.0 2,-0.5 -0.742 30.4-151.1 -76.6 130.1 47.4 61.6 -11.4 77 115 A I E +CD 71 93A 5 16,-0.6 16,-2.6 -2,-0.4 2,-0.4 -0.925 18.2 177.5-116.7 125.7 50.1 63.9 -9.9 78 116 A E E -CD 70 92A 88 -8,-2.3 -8,-2.6 -2,-0.5 2,-0.4 -0.974 7.5-164.1-127.6 138.2 51.1 67.2 -11.3 79 117 A A E -CD 69 91A 0 12,-3.0 12,-2.9 -2,-0.4 2,-0.6 -0.965 11.6-152.9-123.7 139.1 53.6 69.7 -10.0 80 118 A E E -CD 68 90A 42 -12,-2.9 -12,-1.8 -2,-0.4 2,-0.6 -0.958 17.7-158.2-104.0 120.5 54.2 73.4 -10.8 81 119 A I E -CD 67 89A 19 8,-2.9 8,-2.0 -2,-0.6 2,-0.5 -0.888 5.9-167.9-101.6 124.1 57.8 74.3 -10.1 82 120 A R E -CD 66 88A 83 -16,-2.6 -16,-2.2 -2,-0.6 6,-0.2 -0.947 11.7-146.6-113.0 120.7 58.6 78.0 -9.6 83 121 A T > - 0 0 26 4,-2.2 3,-2.0 -2,-0.5 -19,-0.0 -0.332 32.0-102.7 -77.3 167.0 62.3 79.0 -9.6 84 122 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -20,-0.0 0.883 127.4 58.3 -57.6 -38.6 63.6 81.8 -7.4 85 123 A D T 3 S- 0 0 99 1,-0.1 -2,-0.1 2,-0.0 -20,-0.1 0.217 121.9-117.1 -73.8 15.3 63.6 84.1 -10.5 86 124 A N < + 0 0 81 -3,-2.0 2,-0.2 1,-0.2 -1,-0.1 0.641 62.5 149.5 57.1 25.0 59.9 83.1 -10.5 87 125 A E - 0 0 120 1,-0.0 -4,-2.2 2,-0.0 2,-0.4 -0.583 36.5-138.3 -78.5 152.0 59.7 81.3 -13.8 88 126 A K E +D 82 0A 115 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.940 24.3 174.2-121.7 135.2 57.1 78.5 -13.9 89 127 A I E -D 81 0A 98 -8,-2.0 -8,-2.9 -2,-0.4 2,-0.5 -0.987 18.3-147.3-130.6 146.5 57.2 74.9 -15.3 90 128 A T E +D 80 0A 83 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.960 22.7 176.0-112.9 127.3 54.5 72.2 -15.0 91 129 A V E -D 79 0A 48 -12,-2.9 -12,-3.0 -2,-0.5 2,-0.5 -0.963 30.2-123.9-130.0 147.0 55.6 68.6 -14.8 92 130 A L E -D 78 0A 130 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.768 28.2-144.2 -83.8 131.8 53.8 65.3 -14.4 93 131 A L E -D 77 0A 26 -16,-2.6 -16,-0.6 -2,-0.5 2,-0.5 -0.684 7.2-141.5 -90.9 150.3 55.2 63.3 -11.4 94 132 A E - 0 0 137 -2,-0.3 2,-0.5 -18,-0.1 7,-0.2 -0.948 13.7-169.7-118.9 115.4 55.4 59.5 -11.6 95 133 A S + 0 0 44 -2,-0.5 2,-0.3 -20,-0.2 -74,-0.1 -0.877 18.1 158.0-102.2 130.6 54.6 57.4 -8.6 96 134 A N > - 0 0 43 -2,-0.5 4,-2.7 1,-0.0 5,-0.3 -0.837 56.9 -91.5-140.6 177.0 55.4 53.7 -8.7 97 135 A E T 4 S+ 0 0 121 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.785 122.1 55.1 -67.1 -23.3 56.1 50.8 -6.3 98 136 A Q T 4 S+ 0 0 160 1,-0.1 -1,-0.2 -72,-0.0 -3,-0.0 0.919 120.3 25.5 -73.7 -46.0 59.8 51.6 -6.4 99 137 A N T 4 S- 0 0 8 -76,-0.1 -75,-0.6 -5,-0.1 -74,-0.4 0.747 79.2-153.3 -93.2 -22.0 59.7 55.2 -5.4 100 138 A R X + 0 0 59 -4,-2.7 4,-0.8 -77,-0.1 3,-0.2 0.869 32.9 162.4 47.8 40.7 56.4 55.4 -3.4 101 139 A L T >4 + 0 0 4 -5,-0.3 3,-1.1 1,-0.2 -6,-0.1 0.902 68.1 50.7 -57.7 -45.9 56.3 59.0 -4.4 102 140 A L G >4 S+ 0 0 4 1,-0.3 3,-1.4 2,-0.2 5,-0.3 0.858 104.2 59.4 -62.7 -34.2 52.6 59.4 -3.6 103 141 A Q G 34 S+ 0 0 15 1,-0.3 38,-2.3 -3,-0.2 -1,-0.3 0.731 98.6 60.5 -66.3 -21.4 53.2 57.9 -0.1 104 142 A S G << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.087 92.4 82.4 -95.6 24.1 55.6 60.7 0.6 105 143 A L S < S- 0 0 0 -3,-1.4 2,-2.2 2,-0.1 34,-0.1 -0.946 89.3-112.6-123.8 148.3 53.0 63.5 0.1 106 144 A P S S+ 0 0 6 0, 0.0 2,-0.4 0, 0.0 -50,-0.2 -0.491 70.0 135.3 -81.2 74.5 50.4 64.7 2.8 107 145 A I - 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0 0 0 -38,-2.3 2,-0.3 -2,-0.2 -33,-0.2 -0.206 39.8-165.3 -73.2 158.2 50.0 59.7 2.9 142 181 A T E -e 108 0B 0 -35,-2.2 -33,-3.2 207,-0.1 2,-0.5 -0.867 19.3-117.3-135.4 168.9 47.0 58.5 4.9 143 182 A T E -eG 109 348B 2 205,-2.7 205,-2.1 -2,-0.3 -33,-0.2 -0.951 30.5-118.3-114.0 126.2 43.9 56.3 4.3 144 183 A L E - G 0 347B 38 -35,-2.7 -33,-0.3 -2,-0.5 203,-0.3 -0.356 26.7-147.8 -60.5 136.6 40.4 57.8 4.6 145 184 A I - 0 0 12 201,-3.0 201,-0.4 -2,-0.1 115,-0.1 -0.928 9.9-130.3-111.7 124.4 38.4 56.1 7.3 146 185 A P - 0 0 119 0, 0.0 2,-0.3 0, 0.0 199,-0.0 -0.409 26.6-169.3 -69.4 146.2 34.6 55.8 7.0 147 186 A H - 0 0 75 -2,-0.1 2,-0.2 3,-0.0 5,-0.0 -0.922 6.7-160.3-130.2 162.3 32.5 56.8 10.0 148 187 A N > - 0 0 90 -2,-0.3 4,-1.5 111,-0.0 3,-0.3 -0.642 47.3 -76.7-126.1-175.2 28.8 56.5 10.9 149 188 A A T 4 S+ 0 0 63 1,-0.2 7,-0.1 -2,-0.2 3,-0.1 0.856 129.7 48.8 -54.4 -38.1 26.5 58.3 13.3 150 189 A Q T 4 S+ 0 0 164 1,-0.2 -1,-0.2 5,-0.1 5,-0.1 0.858 119.4 35.2 -71.5 -36.6 28.0 56.4 16.3 151 190 A T T 4 S+ 0 0 25 -3,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.451 85.5 118.8-102.0 -0.8 31.6 57.1 15.4 152 191 A D >< - 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0 0 0 -7,-2.9 -7,-0.5 -2,-0.3 42,-0.1 -0.909 20.9-146.3-106.2 102.4 54.9 79.0 15.5 184 223 A P > - 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.062 28.1 -92.7 -68.0 170.7 57.2 77.9 18.3 185 224 A A H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.873 124.8 48.3 -51.0 -47.7 56.2 77.0 21.8 186 225 A N H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 112.1 49.3 -64.8 -39.3 56.6 80.5 23.3 187 226 A A H > S+ 0 0 0 37,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.866 108.4 54.7 -65.8 -35.3 54.6 82.0 20.4 188 227 A Q H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.863 105.6 51.9 -65.1 -37.5 51.9 79.4 21.0 189 228 A M H X S+ 0 0 82 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.880 109.9 49.0 -66.6 -37.2 51.6 80.4 24.6 190 229 A L H X S+ 0 0 70 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.898 112.0 49.6 -63.6 -40.3 51.2 84.0 23.5 191 230 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.920 108.0 53.3 -65.3 -44.3 48.5 82.8 21.0 192 231 A R H <>S+ 0 0 72 -4,-2.8 5,-2.2 1,-0.2 4,-0.4 0.935 112.7 43.7 -54.2 -50.6 46.7 80.8 23.8 193 232 A D H ><5S+ 0 0 99 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.869 109.9 56.7 -62.7 -38.8 46.6 84.0 26.0 194 233 A A H 3<5S+ 0 0 8 -4,-2.3 20,-0.2 1,-0.3 -1,-0.2 0.793 103.4 54.2 -65.8 -29.6 45.5 86.1 23.0 195 234 A L T 3<5S- 0 0 0 -4,-1.8 10,-0.4 -3,-0.3 -1,-0.3 0.582 122.5-109.7 -76.5 -12.4 42.6 83.8 22.4 196 235 A G T < 5S+ 0 0 24 -3,-1.2 2,-1.6 -4,-0.4 7,-0.3 0.532 74.0 139.5 96.0 9.5 41.6 84.4 26.0 197 236 A L < + 0 0 0 -5,-2.2 -1,-0.1 -6,-0.2 -3,-0.1 -0.539 9.2 151.4 -91.6 74.6 42.5 80.9 27.2 198 237 A K S S+ 0 0 157 -2,-1.6 2,-0.3 5,-0.1 -1,-0.2 0.738 70.8 2.4 -78.2 -27.9 44.1 81.7 30.5 199 238 A D S > S- 0 0 78 -3,-0.3 3,-1.7 -6,-0.0 -31,-0.1 -0.899 90.2 -85.0-147.4-178.6 43.1 78.4 32.1 200 239 A T T 3 S+ 0 0 43 1,-0.3 -32,-0.1 -2,-0.3 -31,-0.1 0.643 123.4 50.0 -70.1 -14.1 41.4 75.1 31.2 201 240 A H T 3 S+ 0 0 157 -36,-0.1 -1,-0.3 -37,-0.1 2,-0.1 0.203 90.1 107.6-107.6 15.1 37.9 76.5 31.9 202 241 A S < - 0 0 12 -3,-1.7 -5,-0.1 -38,-0.1 -34,-0.1 -0.389 46.8-165.7 -85.9 165.5 38.3 79.7 29.8 203 242 A S - 0 0 77 -7,-0.3 -5,-0.1 -2,-0.1 131,-0.1 -0.965 36.2 -72.6-146.9 162.1 36.7 80.6 26.5 204 243 A P - 0 0 11 0, 0.0 -8,-0.2 0, 0.0 -9,-0.1 -0.137 48.1-112.3 -59.3 147.2 37.4 83.3 23.9 205 244 A S > - 0 0 56 -10,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.312 27.9-111.1 -68.1 160.5 36.4 86.9 24.6 206 245 A R H > S+ 0 0 149 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 119.1 58.8 -64.4 -33.0 33.6 88.5 22.5 207 246 A N H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.908 107.8 44.9 -59.0 -43.3 36.2 90.7 20.8 208 247 A V H > S+ 0 0 9 2,-0.2 4,-2.5 3,-0.2 -2,-0.2 0.912 111.5 52.9 -70.1 -41.5 38.1 87.6 19.6 209 248 A I H < S+ 0 0 19 -4,-2.3 124,-0.4 1,-0.2 -2,-0.2 0.934 119.1 35.2 -57.2 -45.2 35.0 85.9 18.5 210 249 A D H < S+ 0 0 48 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.783 137.5 14.7 -81.4 -27.4 34.0 89.0 16.4 211 250 A H H < S- 0 0 121 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.496 92.9-129.4-128.6 -9.0 37.4 90.2 15.2 212 251 A G < - 0 0 3 -4,-2.5 -1,-0.3 -5,-0.3 28,-0.2 -0.374 65.6 -9.6 79.2-168.0 40.0 87.5 15.7 213 252 A I S S- 0 0 4 26,-1.5 -18,-0.1 28,-0.4 31,-0.1 -0.291 83.0-102.9 -58.9 141.5 43.3 88.1 17.5 214 253 A S > - 0 0 54 -20,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.347 25.8-120.8 -63.2 150.2 44.1 91.8 18.2 215 254 A R H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 114.6 55.4 -61.0 -40.2 46.6 93.3 15.8 216 255 A H H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.946 112.0 41.8 -54.0 -52.5 48.8 94.0 18.8 217 256 A D H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.906 112.5 54.0 -63.5 -43.4 48.8 90.4 19.9 218 257 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.876 107.3 52.0 -59.4 -38.5 49.2 89.1 16.3 219 258 A E H X S+ 0 0 71 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.886 110.3 47.4 -66.0 -39.1 52.3 91.2 15.9 220 259 A Q H X S+ 0 0 58 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.905 112.4 49.8 -69.5 -41.3 53.9 89.9 19.1 221 260 A I H < S+ 0 0 1 -4,-2.6 3,-0.4 1,-0.2 4,-0.4 0.937 112.8 46.2 -61.2 -47.4 53.1 86.3 18.1 222 261 A A H >< S+ 0 0 3 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.862 107.8 58.0 -64.0 -35.2 54.6 86.8 14.6 223 262 A R H 3< S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.0 46.7 -62.8 -34.0 57.6 88.5 16.1 224 263 A E T 3< S+ 0 0 87 -4,-1.4 -37,-0.3 -3,-0.4 -1,-0.3 0.444 100.9 87.8 -87.6 -3.1 58.3 85.3 18.2 225 264 A S S < S- 0 0 5 -3,-1.1 2,-0.7 -4,-0.4 -42,-0.2 -0.562 83.0-109.5 -96.9 163.2 57.8 83.1 15.2 226 265 A S B +J 182 0B 90 -44,-1.4 -44,-0.6 -2,-0.2 2,-0.3 -0.827 67.6 80.5-104.4 114.5 60.5 82.1 12.7 227 266 A G S S- 0 0 26 -2,-0.7 2,-0.0 -46,-0.1 -46,-0.0 -0.962 76.6 -62.3-178.8-175.4 60.4 83.4 9.2 228 267 A S > - 0 0 53 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.260 56.3 -98.2 -76.8 173.5 61.2 86.4 7.0 229 268 A D H > S+ 0 0 142 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.849 129.7 52.6 -59.0 -32.6 59.7 89.8 7.5 230 269 A N H > S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.898 106.8 49.7 -69.3 -43.7 57.4 88.7 4.7 231 270 A Q H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.905 109.5 51.4 -63.1 -43.0 56.4 85.5 6.4 232 271 A K H X S+ 0 0 45 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.865 105.8 57.5 -60.8 -36.1 55.6 87.2 9.6 233 272 A A H X S+ 0 0 51 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.891 104.7 49.9 -62.6 -42.7 53.4 89.6 7.7 234 273 A E H X S+ 0 0 68 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.896 110.9 50.7 -61.8 -41.4 51.3 86.8 6.3 235 274 A V H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.937 110.0 48.4 -62.9 -47.7 50.9 85.4 9.8 236 275 A V H X S+ 0 0 13 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.938 113.6 47.3 -57.8 -47.4 49.8 88.8 11.2 237 276 A E H < S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.897 113.1 49.1 -63.9 -39.5 47.2 89.2 8.4 238 277 A F H >< S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.2 6,-0.3 0.942 109.8 51.1 -62.0 -48.1 46.0 85.7 8.9 239 278 A L H 3< S+ 0 0 0 -4,-2.8 -26,-1.5 1,-0.2 2,-0.7 0.751 93.3 74.4 -64.5 -27.3 45.5 86.0 12.6 240 279 A C T 3< S+ 0 0 23 -4,-1.4 -1,-0.2 -28,-0.2 -2,-0.1 -0.097 82.7 82.9 -85.5 38.4 43.5 89.2 12.5 241 280 A H S X> S- 0 0 75 -2,-0.7 3,-1.5 -3,-0.5 4,-0.8 -0.993 81.9-123.7-138.2 146.2 40.3 87.6 11.3 242 281 A P H >> S+ 0 0 21 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.850 109.8 60.6 -55.5 -37.3 37.6 85.8 13.3 243 282 A E H 3> S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.724 93.9 64.0 -67.9 -21.7 38.0 82.6 11.2 244 283 A A H <> S+ 0 0 0 -3,-1.5 4,-2.4 -6,-0.3 -1,-0.2 0.901 102.8 48.4 -66.7 -40.8 41.6 82.3 12.3 245 284 A A H < S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.955 113.0 51.6 -65.6 -49.2 40.8 76.2 18.2 250 289 A S H >< S+ 0 0 0 -4,-2.4 3,-1.8 -5,-0.3 -1,-0.2 0.827 97.5 69.3 -58.8 -30.8 38.9 73.6 16.2 251 290 A A T 3< S+ 0 0 1 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.728 93.4 58.1 -61.5 -23.7 42.1 71.9 15.2 252 291 A F T < + 0 0 12 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.403 69.5 141.3 -87.4 2.8 42.7 70.7 18.8 253 292 A Y X - 0 0 17 -3,-1.8 3,-1.3 -4,-0.2 4,-0.2 -0.225 42.9-152.5 -56.5 120.5 39.5 68.7 19.1 254 293 A Q G > S+ 0 0 117 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 0.802 87.9 63.6 -63.9 -28.9 40.3 65.5 21.1 255 294 A S G > S+ 0 0 29 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 0.479 70.4 93.7 -81.3 -1.7 37.5 63.5 19.5 256 295 A F G < S+ 0 0 11 -3,-1.3 4,-0.3 1,-0.3 -1,-0.2 0.736 81.3 62.9 -59.0 -21.1 38.8 63.7 15.9 257 296 A N G <> S+ 0 0 45 -3,-1.0 4,-2.7 1,-0.2 -1,-0.3 0.492 73.6 98.3 -80.8 -3.3 40.5 60.3 16.7 258 297 A V H <> S+ 0 0 47 -3,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.922 81.1 47.0 -60.0 -49.4 37.3 58.4 17.3 259 298 A P H > S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.944 116.3 45.5 -56.6 -45.9 36.9 56.7 13.9 260 299 A A H >> S+ 0 0 6 -4,-0.3 4,-1.1 1,-0.2 3,-1.1 0.879 107.8 57.7 -64.9 -38.5 40.6 55.6 13.9 261 300 A L H 3X S+ 0 0 52 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.829 96.4 63.1 -60.3 -32.8 40.4 54.4 17.6 262 301 A T H 3< S+ 0 0 74 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.809 111.0 39.0 -63.6 -26.0 37.5 52.0 16.7 263 302 A L H << S+ 0 0 101 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.683 130.5 25.0 -90.4 -22.6 40.0 50.2 14.4 264 303 A T H >X S+ 0 0 6 -4,-1.1 4,-1.9 -3,-0.2 3,-0.8 0.454 78.0 108.6-128.3 -4.6 43.1 50.4 16.6 265 304 A H H 3X S+ 0 0 100 -4,-2.4 4,-2.6 1,-0.3 5,-0.1 0.805 81.8 54.8 -59.0 -32.1 42.3 50.7 20.3 266 305 A E H 3> S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.892 111.3 44.0 -66.7 -38.5 43.4 47.2 21.2 267 306 A R H <> S+ 0 0 55 -3,-0.8 40,-1.9 2,-0.2 4,-1.5 0.772 111.6 53.8 -79.3 -25.9 46.9 47.6 19.6 268 307 A I H X S+ 0 0 26 -4,-1.9 4,-2.2 38,-0.2 -2,-0.2 0.929 109.8 48.5 -67.8 -46.4 47.2 51.1 21.2 269 308 A S H X S+ 0 0 56 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.889 108.2 54.3 -57.4 -41.0 46.5 49.4 24.5 270 309 A K H X S+ 0 0 121 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.873 107.5 50.6 -63.6 -35.9 49.1 46.7 23.8 271 310 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.921 108.2 51.4 -66.4 -43.9 51.7 49.4 23.1 272 311 A S H X S+ 0 0 47 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.898 115.0 43.5 -60.4 -38.8 50.9 51.1 26.4 273 312 A E H < S+ 0 0 129 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.885 107.7 58.0 -74.3 -38.6 51.3 47.8 28.2 274 313 A Y H >< S+ 0 0 97 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.816 106.9 50.8 -59.3 -30.9 54.5 46.9 26.2 275 314 A N H 3< S+ 0 0 40 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.762 98.5 64.0 -77.7 -26.6 55.9 50.1 27.6 276 315 A A T 3< 0 0 92 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.354 360.0 360.0 -77.3 8.1 55.0 49.2 31.2 277 316 A E < 0 0 195 -3,-0.7 -3,-0.0 -4,-0.1 0, 0.0 -0.426 360.0 360.0-100.8 360.0 57.4 46.3 30.8 278 ! 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 0.0 279 321 A T 0 0 98 0, 0.0 -154,-0.1 0, 0.0 -153,-0.0 0.000 360.0 360.0 360.0 108.0 54.3 56.0 27.3 280 322 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 -155,-0.1 0.560 360.0-138.3 -61.4 -18.6 54.5 59.7 26.2 281 323 A N - 0 0 112 2,-0.0 2,-0.2 24,-0.0 24,-0.1 -0.265 46.8 -17.4 84.2-171.4 50.9 60.0 25.1 282 324 A A - 0 0 44 22,-0.1 2,-0.3 -2,-0.1 22,-0.2 -0.429 55.0-154.5 -77.5 137.6 49.5 61.8 22.0 283 325 A C E - K 0 303B 8 20,-2.3 20,-2.4 -2,-0.2 2,-0.4 -0.784 11.1-143.1-103.0 152.3 51.6 64.3 20.1 284 326 A I E + K 0 302B 42 -111,-0.3 -109,-2.3 -2,-0.3 2,-0.4 -0.956 19.7 174.9-124.3 136.2 49.9 67.1 18.0 285 327 A N E -hK 175 301B 6 16,-2.6 16,-2.5 -2,-0.4 2,-0.4 -0.944 11.9-176.8-143.3 114.0 51.0 68.6 14.6 286 328 A I E -hK 176 300B 0 -111,-3.1 -109,-2.3 -2,-0.4 2,-0.5 -0.929 13.0-170.3-122.5 135.4 48.8 71.1 12.9 287 329 A S E -hK 177 299B 1 12,-2.8 12,-2.8 -2,-0.4 2,-0.4 -0.989 8.5-179.9-121.7 124.5 49.1 72.9 9.5 288 330 A I E +hK 178 298B 2 -111,-2.7 -109,-2.8 -2,-0.5 2,-0.4 -0.989 5.8 177.7-123.7 132.5 46.7 75.7 8.7 289 331 A S E - K 0 297B 12 8,-2.4 8,-3.0 -2,-0.4 2,-0.5 -0.981 19.7-156.5-133.9 145.8 46.8 77.6 5.4 290 332 A Q E - 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