==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 15-FEB-12 4DQD . COMPND 2 MOLECULE: EXTRACELLULAR LIGAND-BINDING RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR K.TAN,J.C.MACK,S.ZERBS,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.7 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 . 4 1.1 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 . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 1 1 0 2 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 1 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 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 23 A A 0 0 94 0, 0.0 3,-0.1 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0-168.4 -6.7 1.3 45.4 2 24 A E - 0 0 50 1,-0.1 2,-0.3 303,-0.1 36,-0.2 -0.265 360.0 -91.1 -75.4 165.8 -6.3 2.6 41.9 3 25 A I E -a 38 0A 0 34,-2.7 36,-2.8 30,-0.1 2,-0.5 -0.625 43.6-156.2 -74.3 135.1 -4.3 1.0 39.2 4 26 A K E -a 39 0A 51 -2,-0.3 62,-2.8 34,-0.2 63,-1.1 -0.970 9.6-169.0-120.7 129.7 -0.7 2.4 39.1 5 27 A I E -ab 40 67A 0 34,-2.5 36,-2.6 -2,-0.5 2,-0.4 -0.971 7.3-156.8-119.0 124.9 1.6 2.3 36.1 6 28 A G E -ab 41 68A 0 61,-2.8 63,-2.3 -2,-0.5 2,-0.4 -0.816 11.2-173.4-101.2 139.9 5.3 3.2 36.5 7 29 A I E -ab 42 69A 0 34,-3.0 36,-2.6 -2,-0.4 2,-0.4 -0.997 11.2-174.7-135.2 129.6 7.3 4.4 33.5 8 30 A T E +a 43 0A 0 61,-2.7 63,-0.5 -2,-0.4 2,-0.3 -0.995 18.5 170.0-119.6 132.4 11.0 5.1 33.1 9 31 A X E -a 44 0A 3 34,-2.2 36,-2.7 -2,-0.4 2,-1.7 -0.958 44.4-111.9-141.1 156.2 12.1 6.6 29.8 10 32 A S + 0 0 0 -2,-0.3 9,-1.0 34,-0.2 10,-0.4 -0.538 49.7 155.0 -89.3 72.1 15.3 8.1 28.3 11 33 A A + 0 0 7 -2,-1.7 2,-0.3 8,-0.3 -1,-0.2 0.636 68.9 28.0 -76.6 -14.5 13.9 11.6 28.0 12 34 A S S S+ 0 0 40 -3,-0.2 3,-0.5 7,-0.1 33,-0.1 -0.870 98.2 49.4-135.8 172.4 17.4 13.1 28.2 13 35 A G S > S- 0 0 39 -2,-0.3 3,-2.0 1,-0.2 34,-0.2 -0.405 114.9 -40.3 86.2-172.8 20.8 11.8 27.2 14 36 A P T 3 S+ 0 0 33 0, 0.0 3,-0.3 0, 0.0 186,-0.2 0.609 138.0 60.8 -68.0 -10.1 21.6 10.2 23.8 15 37 A G T >> S+ 0 0 0 -3,-0.5 4,-2.4 1,-0.2 3,-2.3 0.348 71.0 110.8 -91.0 5.6 18.2 8.4 23.9 16 38 A A H <> + 0 0 29 -3,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.804 68.4 59.4 -55.1 -37.2 16.3 11.7 24.1 17 39 A A H 34 S+ 0 0 1 -3,-0.3 -1,-0.3 1,-0.2 265,-0.2 0.704 116.4 37.0 -68.1 -13.7 14.8 11.4 20.6 18 40 A L H <> S+ 0 0 12 -3,-2.3 4,-1.0 -8,-0.3 -2,-0.2 0.829 121.1 42.7 -96.8 -46.2 13.2 8.2 21.8 19 41 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 -9,-1.0 -8,-0.3 0.818 105.0 61.1 -74.0 -34.9 12.3 9.1 25.4 20 42 A Q H X S+ 0 0 72 -4,-2.7 4,-2.2 -10,-0.4 5,-0.2 0.945 104.3 48.8 -61.0 -47.9 11.0 12.6 24.8 21 43 A P H > S+ 0 0 7 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.885 112.3 51.0 -57.4 -36.1 8.1 11.4 22.6 22 44 A Q H >X S+ 0 0 0 -4,-1.0 4,-1.0 1,-0.2 3,-0.8 0.929 107.5 52.0 -65.8 -44.1 7.3 8.8 25.2 23 45 A S H >< S+ 0 0 49 -4,-2.7 3,-0.5 1,-0.2 4,-0.4 0.882 110.5 48.9 -57.0 -39.9 7.3 11.4 27.9 24 46 A K H 3< S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.654 103.7 61.7 -78.3 -14.6 4.8 13.5 25.9 25 47 A T H X< S+ 0 0 0 -4,-0.8 3,-2.1 -3,-0.8 4,-0.4 0.744 83.3 78.8 -80.4 -24.0 2.6 10.5 25.3 26 48 A V G X< S+ 0 0 28 -4,-1.0 3,-1.8 -3,-0.5 -1,-0.2 0.886 88.0 56.8 -52.5 -43.1 1.9 10.0 29.0 27 49 A A G 3 S+ 0 0 58 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.637 102.0 57.8 -66.0 -14.2 -0.7 12.8 29.0 28 50 A A G < S+ 0 0 19 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.490 84.1 106.2 -92.5 -5.4 -2.6 11.0 26.2 29 51 A L S < S- 0 0 5 -3,-1.8 2,-0.1 -4,-0.4 11,-0.1 -0.438 81.2 -92.7 -81.5 151.4 -3.1 7.8 28.3 30 52 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.353 18.8-151.2 -71.5 138.6 -6.5 6.9 29.8 31 53 A K S S+ 0 0 147 1,-0.1 7,-2.4 -2,-0.1 2,-0.3 0.490 85.7 36.0 -83.0 -8.1 -7.4 8.0 33.3 32 54 A E E +E 37 0B 127 5,-0.3 2,-0.4 3,-0.0 5,-0.2 -0.988 62.2 179.4-147.1 136.3 -9.7 5.0 33.7 33 55 A I E > S-E 36 0B 4 3,-2.6 3,-1.8 -2,-0.3 -30,-0.1 -0.995 75.1 -5.0-138.4 131.7 -9.5 1.4 32.5 34 56 A G T 3 S- 0 0 51 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.783 129.9 -56.8 57.1 28.7 -12.0 -1.3 33.1 35 57 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.572 116.3 111.8 81.4 10.9 -14.0 1.0 35.4 36 58 A E E < S-E 33 0B 75 -3,-1.8 -3,-2.6 -34,-0.0 -1,-0.3 -0.932 72.3-111.1-119.5 139.8 -11.0 1.6 37.6 37 59 A K E -E 32 0B 121 -2,-0.4 -34,-2.7 -5,-0.2 2,-0.4 -0.370 31.5-154.8 -63.3 144.0 -9.0 4.8 38.1 38 60 A V E -a 3 0A 6 -7,-2.4 2,-0.4 -36,-0.2 -34,-0.2 -0.988 7.9-167.3-125.4 133.8 -5.4 4.7 36.6 39 61 A T E -a 4 0A 31 -36,-2.8 -34,-2.5 -2,-0.4 2,-0.4 -0.972 9.6-149.1-121.3 136.8 -2.5 6.8 37.8 40 62 A Y E -a 5 0A 37 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.862 7.5-166.8-108.3 138.4 0.8 7.2 35.9 41 63 A F E -a 6 0A 46 -36,-2.6 -34,-3.0 -2,-0.4 2,-0.4 -0.951 14.9-175.2-123.6 108.2 4.2 7.7 37.4 42 64 A A E -a 7 0A 46 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.883 3.8-179.8-115.1 133.7 6.8 8.7 34.8 43 65 A L E -a 8 0A 47 -36,-2.6 -34,-2.2 -2,-0.4 2,-0.4 -0.974 26.4-125.6-132.5 144.4 10.5 9.3 35.5 44 66 A D E -a 9 0A 50 -2,-0.4 -34,-0.2 -36,-0.2 -36,-0.0 -0.745 15.7-171.5 -86.0 129.3 13.5 10.2 33.3 45 67 A D > - 0 0 0 -36,-2.7 3,-2.2 -2,-0.4 7,-0.3 0.390 33.4-131.1-100.2 2.8 16.4 7.8 33.4 46 68 A E T 3 - 0 0 102 -37,-0.5 -36,-0.2 1,-0.3 -30,-0.1 0.716 60.9 -70.2 60.5 24.2 18.7 10.1 31.4 47 69 A S T 3 S+ 0 0 17 1,-0.2 -1,-0.3 -34,-0.2 -37,-0.1 0.743 105.0 132.5 63.4 24.5 19.7 7.1 29.1 48 70 A D <> - 0 0 70 -3,-2.2 4,-2.7 1,-0.1 5,-0.2 -0.924 54.1-152.8-115.9 120.5 21.5 5.7 32.1 49 71 A P H > S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.876 98.4 52.3 -58.6 -38.5 21.1 2.1 33.2 50 72 A T H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.932 112.0 45.3 -63.0 -45.4 21.9 2.9 36.8 51 73 A K H > S+ 0 0 61 -6,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.886 110.9 53.1 -66.5 -38.9 19.3 5.6 37.0 52 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -7,-0.3 -1,-0.2 0.919 109.4 49.5 -60.6 -41.7 16.7 3.4 35.2 53 75 A A H X S+ 0 0 11 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.912 111.6 48.7 -64.1 -41.4 17.4 0.7 37.8 54 76 A Q H X S+ 0 0 116 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.924 111.4 50.0 -61.7 -45.1 16.9 3.3 40.6 55 77 A N H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.926 111.4 48.7 -58.1 -47.1 13.7 4.6 39.0 56 78 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.922 110.2 50.1 -61.7 -46.1 12.3 1.0 38.7 57 79 A R H X S+ 0 0 143 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.876 112.3 48.6 -62.2 -36.6 13.2 0.2 42.3 58 80 A K H X>S+ 0 0 96 -4,-2.1 4,-2.1 2,-0.2 5,-1.2 0.930 113.6 45.7 -67.1 -46.4 11.5 3.4 43.5 59 81 A L H <5S+ 0 0 4 -4,-2.6 6,-1.9 3,-0.2 5,-0.4 0.881 120.1 40.9 -65.4 -36.7 8.3 2.7 41.4 60 82 A L H <5S+ 0 0 19 -4,-2.8 -2,-0.2 4,-0.2 -3,-0.2 0.919 124.5 33.1 -77.7 -45.7 8.2 -0.9 42.5 61 83 A S H <5S+ 0 0 66 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.841 130.1 30.0 -84.8 -33.8 9.1 -0.5 46.2 62 84 A E T <5S+ 0 0 123 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.890 133.1 26.4 -94.1 -47.7 7.5 2.9 47.0 63 85 A E S S- 0 0 6 22,-0.1 4,-1.8 1,-0.1 22,-0.2 -0.845 79.7-121.5-122.8 153.8 17.1 1.9 25.1 74 96 A T H > S+ 0 0 2 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 0.929 109.5 45.8 -60.5 -52.4 18.5 -1.6 25.2 75 97 A P H 4 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.844 115.7 49.3 -64.3 -28.0 21.4 -1.2 27.6 76 98 A V H 4 S+ 0 0 2 1,-0.2 4,-0.2 2,-0.1 -2,-0.2 0.813 113.3 46.5 -77.9 -30.9 19.1 0.9 29.9 77 99 A S H >X S+ 0 0 1 -4,-1.8 3,-1.4 -3,-0.2 4,-0.8 0.759 92.2 79.8 -82.3 -29.0 16.4 -1.8 29.8 78 100 A L H >X S+ 0 0 53 -4,-2.0 3,-1.2 1,-0.3 4,-0.6 0.891 92.1 48.2 -51.3 -48.3 18.6 -4.8 30.4 79 101 A P H 3> S+ 0 0 48 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.723 100.5 68.2 -68.0 -16.9 18.9 -4.4 34.2 80 102 A L H <> S+ 0 0 0 -3,-1.4 4,-3.0 -4,-0.2 5,-0.3 0.749 85.7 70.5 -72.7 -23.0 15.1 -3.9 34.6 81 103 A I H S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 4,-0.3 0.907 114.1 51.9 -64.6 -42.4 10.8 -6.6 37.5 85 107 A A H ><5S+ 0 0 3 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.911 108.9 49.7 -61.6 -41.5 11.0 -10.4 37.8 86 108 A E H 3<5S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 113.3 47.3 -65.6 -33.9 12.1 -10.3 41.4 87 109 A A T 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.405 107.6-128.5 -84.7 0.4 9.2 -8.0 42.1 88 110 A K T < 5 + 0 0 102 -3,-1.3 -3,-0.2 -4,-0.3 228,-0.1 0.924 64.6 135.4 45.4 52.9 6.8 -10.2 40.2 89 111 A T < - 0 0 3 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.2 -0.995 60.8-112.3-129.6 128.9 5.7 -7.2 38.2 90 112 A P - 0 0 0 0, 0.0 -22,-2.7 0, 0.0 2,-0.5 -0.373 28.7-153.5 -62.4 140.0 5.1 -7.2 34.5 91 113 A L E -cd 68 111A 1 19,-2.9 21,-3.1 -24,-0.2 2,-0.8 -0.974 8.0-162.9-115.7 123.3 7.6 -5.1 32.5 92 114 A X E -cd 69 112A 0 -24,-2.9 -22,-2.5 -2,-0.5 21,-0.2 -0.886 18.6-157.4-101.7 101.9 6.7 -3.6 29.2 93 115 A T E - d 0 113A 2 19,-2.4 21,-0.7 -2,-0.8 22,-0.4 -0.552 14.7-160.4 -81.8 147.6 10.1 -2.7 27.7 94 116 A X + 0 0 3 -23,-1.6 -22,-0.1 -2,-0.2 -1,-0.1 0.325 61.4 97.7-105.6 6.7 10.1 -0.0 25.0 95 117 A A - 0 0 4 -22,-0.2 20,-0.4 -24,-0.2 -22,-0.1 -0.278 66.9-133.3 -94.7-179.9 13.5 -1.0 23.6 96 118 A A + 0 0 12 -24,-0.1 22,-1.4 -2,-0.1 -1,-0.1 0.726 56.2 112.5-113.6 -26.4 14.4 -3.2 20.6 97 119 A A > - 0 0 2 20,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.262 61.1-133.6 -64.9 140.9 17.1 -5.8 21.1 98 120 A A G >> S+ 0 0 21 1,-0.3 4,-2.4 2,-0.2 3,-2.1 0.839 100.6 70.7 -59.4 -34.7 15.9 -9.5 20.9 99 121 A I G 34 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.676 81.1 76.2 -60.1 -16.0 17.9 -10.3 24.1 100 122 A L G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.799 122.3 1.0 -66.3 -26.9 15.3 -8.3 26.1 101 123 A V T <4 S+ 0 0 1 -3,-2.1 238,-0.3 -4,-0.3 -2,-0.2 0.462 106.6 117.3-136.9 -6.3 12.8 -11.1 25.8 102 124 A A < + 0 0 31 -4,-2.4 -1,-0.2 2,-0.1 2,-0.2 -0.976 64.5 26.3-135.4 144.1 14.3 -14.0 23.9 103 125 A P S S- 0 0 103 0, 0.0 5,-0.1 0, 0.0 235,-0.1 0.634 99.5-113.8 -69.1 159.2 15.0 -16.8 24.3 104 126 A X + 0 0 33 233,-0.4 2,-0.3 -2,-0.2 -2,-0.1 -0.259 45.6 162.7 -56.6 143.0 12.4 -17.2 27.0 105 127 A D > - 0 0 40 -4,-0.1 4,-0.9 -3,-0.0 -1,-0.0 -0.877 54.9 -83.2-147.5-174.0 13.6 -17.8 30.6 106 128 A E T 4 S+ 0 0 134 -2,-0.3 -2,-0.1 1,-0.2 4,-0.0 0.664 127.4 40.5 -70.7 -16.7 12.1 -17.6 34.1 107 129 A R T >4 S+ 0 0 81 2,-0.1 3,-2.1 1,-0.1 -1,-0.2 0.832 109.9 54.8 -96.3 -42.7 12.8 -13.9 34.4 108 130 A R G >4 S+ 0 0 24 1,-0.3 3,-1.8 2,-0.2 -2,-0.2 0.639 87.3 84.2 -67.1 -11.1 11.8 -12.8 30.9 109 131 A K G 3< S+ 0 0 54 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.776 91.9 48.8 -56.3 -25.3 8.5 -14.6 31.7 110 132 A W G < S+ 0 0 28 -3,-2.1 -19,-2.9 -29,-0.1 2,-0.4 0.422 99.9 86.9 -94.0 0.8 7.7 -11.2 33.3 111 133 A V E < -d 91 0A 1 -3,-1.8 2,-0.3 -21,-0.2 -19,-0.2 -0.855 49.8-176.7-113.6 136.3 8.7 -9.1 30.3 112 134 A Y E -d 92 0A 0 -21,-3.1 -19,-2.4 -2,-0.4 2,-0.3 -0.892 6.7-162.7-125.3 160.3 6.7 -8.0 27.2 113 135 A K E -d 93 0A 0 226,-1.9 4,-0.1 -2,-0.3 -19,-0.1 -0.871 15.8-176.1-152.9 104.8 8.0 -6.1 24.2 114 136 A V + 0 0 1 -21,-0.7 -20,-0.1 -2,-0.3 -1,-0.1 0.739 66.8 85.9 -77.7 -24.5 6.0 -4.2 21.5 115 137 A V S S- 0 0 4 -20,-0.4 3,-0.1 -22,-0.4 -20,-0.1 -0.630 94.3-105.7 -75.8 131.4 9.0 -3.2 19.3 116 138 A P - 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0 0 68 -3,-1.9 3,-0.1 1,-0.1 -4,-0.0 -0.095 47.7-146.7 -51.3 139.0 31.0 10.2 20.7 176 198 A A S S+ 0 0 100 1,-0.2 2,-0.3 28,-0.0 -1,-0.1 0.778 78.3 21.8 -74.5 -29.6 32.0 13.5 19.0 177 199 A S + 0 0 62 1,-0.1 -1,-0.2 31,-0.0 4,-0.1 -0.988 39.4 179.6-143.0 146.8 33.6 11.8 16.1 178 200 A V > + 0 0 1 -2,-0.3 4,-2.6 26,-0.1 5,-0.2 -0.051 50.3 122.6-127.4 29.3 33.6 8.5 14.1 179 201 A T H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 71.2 50.9 -62.6 -45.4 36.2 9.6 11.6 180 202 A G H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 113.6 45.7 -56.2 -47.0 38.7 6.8 12.3 181 203 A Q H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 113.0 49.3 -63.4 -46.4 36.0 4.2 11.9 182 204 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.887 108.7 52.5 -64.6 -39.9 34.6 5.7 8.8 183 205 A L H X S+ 0 0 80 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.907 109.2 51.0 -61.2 -40.1 38.0 6.0 7.1 184 206 A K H X S+ 0 0 127 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.923 111.4 47.3 -63.2 -43.6 38.6 2.3 7.8 185 207 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.946 111.9 49.9 -61.6 -48.0 35.2 1.4 6.3 186 208 A I H >< S+ 0 0 44 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.874 103.4 60.4 -60.3 -36.7 35.9 3.5 3.2 187 209 A A H 3< S+ 0 0 77 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.734 96.1 61.4 -64.8 -23.0 39.3 1.9 2.8 188 210 A T T << S- 0 0 41 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.521 102.7-136.1 -79.7 -5.3 37.6 -1.5 2.4 189 211 A K < - 0 0 161 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.919 33.1-172.8 51.9 56.3 35.8 -0.1 -0.7 190 212 A P - 0 0 12 0, 0.0 -53,-0.2 0, 0.0 26,-0.1 -0.283 33.4-133.6 -78.4 162.9 32.4 -1.5 0.1 191 213 A D S S- 0 0 79 -55,-2.6 26,-0.9 1,-0.2 2,-0.3 0.781 89.9 -1.9 -78.6 -30.8 29.3 -1.5 -2.1 192 214 A A E -gi 137 217C 1 -56,-1.4 -54,-2.9 24,-0.2 2,-0.4 -0.945 67.5-132.8-152.5 164.3 27.2 -0.4 0.8 193 215 A V E -gi 138 218C 0 24,-2.2 26,-2.8 -2,-0.3 2,-0.5 -0.996 10.3-149.9-129.8 135.9 27.5 0.4 4.5 194 216 A F E -gi 139 219C 0 -56,-3.2 -54,-2.2 -2,-0.4 2,-0.5 -0.886 10.0-164.6-101.7 132.9 25.2 -0.7 7.3 195 217 A I E -g 140 0C 0 24,-2.6 2,-0.8 -2,-0.5 -54,-0.2 -0.980 6.1-163.7-117.7 125.0 24.8 1.5 10.4 196 218 A A E +g 141 0C 0 -56,-2.3 -54,-2.3 -2,-0.5 2,-0.2 -0.848 45.1 115.6-109.6 94.5 23.4 0.1 13.6 197 219 A S - 0 0 0 -2,-0.8 26,-0.4 -56,-0.2 2,-0.3 -0.802 45.5-143.0-147.9-180.0 22.4 3.1 15.7 198 220 A A + 0 0 5 -2,-0.2 26,-0.2 26,-0.1 4,-0.1 -0.988 54.2 2.1-156.4 148.0 19.4 4.9 17.2 199 221 A G S > S- 0 0 0 24,-2.9 3,-1.8 -2,-0.3 4,-0.2 -0.200 114.0 -32.2 71.9-166.1 18.2 8.5 17.8 200 222 A T G >> S+ 0 0 48 1,-0.3 3,-1.8 -186,-0.2 4,-0.5 0.765 128.0 72.6 -64.0 -24.7 20.0 11.6 16.8 201 223 A P G 34 S+ 0 0 19 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.723 84.4 71.4 -59.9 -17.4 23.4 9.9 17.3 202 224 A A G <> S+ 0 0 0 -3,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.653 85.0 67.4 -72.1 -16.4 22.7 7.9 14.1 203 225 A V H <> S+ 0 0 7 -3,-1.8 4,-2.8 -4,-0.2 3,-0.4 0.925 88.1 65.8 -68.1 -42.8 23.2 11.0 11.9 204 226 A L H X S+ 0 0 57 -4,-0.5 4,-2.7 -3,-0.4 5,-0.2 0.881 100.6 44.6 -52.1 -54.3 26.9 11.3 12.6 205 227 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 116.2 48.3 -62.5 -33.0 28.2 8.1 10.9 206 228 A Q H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.4 -2,-0.2 0.939 113.6 44.8 -72.6 -45.1 26.0 8.7 7.9 207 229 A K H X S+ 0 0 70 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.897 112.8 53.7 -61.1 -38.9 27.0 12.3 7.5 208 230 A A H X S+ 0 0 10 -4,-2.7 4,-1.6 -5,-0.3 -2,-0.2 0.905 107.8 49.4 -64.9 -42.1 30.6 11.3 8.0 209 231 A L H <>S+ 0 0 0 -4,-2.1 5,-2.5 -5,-0.2 -1,-0.2 0.937 113.9 45.5 -60.7 -46.8 30.5 8.7 5.3 210 232 A R H ><5S+ 0 0 56 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.923 112.6 50.1 -64.3 -43.9 29.0 11.2 2.8 211 233 A E H 3<5S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.770 107.9 54.4 -65.9 -27.0 31.4 13.9 3.7 212 234 A R T 3<5S- 0 0 132 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.263 127.2 -97.8 -92.5 10.1 34.4 11.5 3.2 213 235 A G T < 5 + 0 0 40 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.467 68.6 151.1 97.5 3.6 33.2 10.7 -0.2 214 236 A F < + 0 0 19 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.566 13.5 174.4 -72.4 126.6 31.2 7.5 0.1 215 237 A K + 0 0 169 -2,-0.4 -1,-0.1 2,-0.0 3,-0.1 0.410 42.2 102.7-112.7 -2.5 28.5 7.4 -2.6 216 238 A G S S- 0 0 22 1,-0.2 -24,-0.2 -26,-0.1 -25,-0.1 -0.082 83.7 -65.1 -77.5 178.7 27.1 3.9 -2.1 217 239 A A E -i 192 0C 42 -26,-0.9 -24,-2.2 1,-0.0 2,-0.5 -0.362 45.8-155.7 -63.0 139.3 23.9 2.8 -0.4 218 240 A I E -i 193 0C 4 -26,-0.2 23,-1.1 21,-0.2 2,-0.4 -0.985 6.4-163.4-119.9 128.7 23.7 3.4 3.3 219 241 A Y E +ij 194 241C 8 -26,-2.8 -24,-2.6 -2,-0.5 23,-0.2 -0.893 10.4 175.7-110.7 140.2 21.4 1.2 5.4 220 242 A Q - 0 0 1 21,-2.4 23,-0.4 -2,-0.4 2,-0.2 -0.456 23.7-109.9-121.1-161.7 20.2 2.1 8.9 221 243 A T > - 0 0 2 -24,-0.2 3,-2.2 21,-0.2 23,-0.1 -0.784 39.2 -90.1-127.8 172.2 17.8 0.6 11.5 222 244 A H G > S+ 0 0 6 21,-0.6 3,-1.2 1,-0.3 23,-0.1 0.565 112.1 84.3 -64.5 -5.0 14.4 1.4 12.9 223 245 A G G 3 S+ 0 0 4 -26,-0.4 -24,-2.9 1,-0.2 -1,-0.3 0.652 89.5 52.2 -64.8 -14.6 16.2 3.4 15.6 224 246 A V G < S+ 0 0 0 -3,-2.2 2,-1.4 -26,-0.2 5,-0.2 0.387 72.3 114.5-100.8 5.0 16.3 6.2 13.1 225 247 A A < + 0 0 1 -3,-1.2 56,-0.6 -4,-0.1 2,-0.4 0.075 50.1 104.1 -75.6 29.5 12.5 6.3 12.4 226 248 A T S >> S- 0 0 0 -2,-1.4 3,-1.6 54,-0.1 4,-1.0 -0.893 75.7-130.7-109.1 141.7 12.0 9.7 13.9 227 249 A E H 3> S+ 0 0 87 -2,-0.4 4,-2.4 1,-0.3 5,-0.1 0.694 106.5 71.5 -62.3 -16.3 11.5 12.9 11.8 228 250 A E H 3> S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.850 95.4 52.5 -65.2 -33.7 14.2 14.4 14.1 229 251 A F H <> S+ 0 0 0 -3,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.896 109.7 47.8 -67.8 -41.9 16.7 12.2 12.2 230 252 A I H X S+ 0 0 19 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.924 112.9 49.1 -63.4 -43.1 15.5 13.5 8.9 231 253 A K H < S+ 0 0 187 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.928 117.4 38.7 -65.1 -46.5 15.7 17.1 10.1 232 254 A L H < S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 120.3 46.6 -69.8 -37.8 19.2 16.8 11.5 233 255 A G H >< S+ 0 0 3 -4,-2.3 3,-1.3 -5,-0.2 4,-0.3 0.814 80.1 166.1 -79.6 -33.0 20.4 14.6 8.6 234 256 A G G >X - 0 0 37 -4,-2.6 3,-1.5 1,-0.3 4,-0.7 -0.168 68.6 -6.2 54.6-140.3 19.0 16.6 5.7 235 257 A K G >4 S+ 0 0 171 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.797 129.0 67.3 -57.6 -31.2 20.4 15.7 2.2 236 258 A D G <4 S+ 0 0 30 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.758 104.2 41.5 -65.9 -25.1 22.9 13.3 3.7 237 259 A V G X4 S+ 0 0 0 -3,-1.5 3,-2.2 -4,-0.3 115,-0.2 0.474 83.0 123.1-101.9 -3.1 20.3 10.8 5.0 238 260 A E T << S+ 0 0 69 -3,-0.7 115,-0.2 -4,-0.7 -3,-0.0 -0.347 78.0 23.0 -51.9 133.4 18.1 11.0 1.8 239 261 A G T 3 S+ 0 0 28 113,-2.7 -1,-0.3 1,-0.3 -21,-0.2 0.368 83.4 149.5 87.8 -6.0 17.8 7.5 0.5 240 262 A A < - 0 0 0 -3,-2.2 112,-2.4 -23,-0.1 2,-0.4 -0.382 29.2-159.9 -58.0 139.3 18.5 5.7 3.8 241 263 A I E +jK 219 351C 12 -23,-1.1 -21,-2.4 110,-0.2 2,-0.3 -0.964 17.0 162.6-124.5 141.0 16.7 2.4 3.9 242 264 A F E - K 0 350C 0 108,-2.2 108,-3.1 -2,-0.4 2,-0.5 -0.983 41.2-109.3-150.1 157.7 15.9 0.3 7.1 243 265 A A E + K 0 349C 3 -23,-0.4 -21,-0.6 -2,-0.3 106,-0.2 -0.827 60.1 138.8 -87.2 125.6 13.6 -2.5 8.2 244 266 A G E - K 0 348C 0 104,-3.4 104,-2.7 -2,-0.5 2,-0.2 -0.655 42.0 -47.1-149.1-156.6 11.0 -1.0 10.5 245 267 A E >> - 0 0 1 -2,-0.2 3,-1.4 102,-0.2 4,-0.7 -0.465 41.4-113.7 -97.1 157.0 7.4 -0.8 11.6 246 268 A A H >> S+ 0 0 0 1,-0.3 3,-1.4 100,-0.2 4,-0.7 0.856 111.9 68.0 -50.8 -41.0 4.0 -0.5 10.0 247 269 A F H >4 S+ 0 0 10 81,-1.8 3,-0.9 1,-0.3 4,-0.3 0.875 97.6 52.3 -45.0 -44.2 3.6 2.9 11.6 248 270 A S H <4 S+ 0 0 6 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.722 117.4 36.6 -73.0 -20.7 6.4 4.3 9.3 249 271 A G H X< S+ 0 0 0 -3,-1.4 3,-1.9 -4,-0.7 -1,-0.2 0.300 82.6 110.5-111.5 8.4 4.8 3.0 6.2 250 272 A A G X< S+ 0 0 1 -3,-0.9 3,-1.2 -4,-0.7 -2,-0.1 0.780 70.7 60.5 -59.6 -32.4 1.2 3.6 7.0 251 273 A E G 3 S+ 0 0 97 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.636 101.7 54.6 -73.2 -11.6 0.7 6.4 4.5 252 274 A D G < S+ 0 0 56 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.1 -0.127 96.0 89.9-111.0 33.0 1.5 4.1 1.6 253 275 A X S < S- 0 0 21 -3,-1.2 4,-0.0 1,-0.1 -3,-0.0 -0.846 88.7 -76.5-125.3 162.0 -1.1 1.5 2.6 254 276 A P > - 0 0 100 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.204 45.0-113.4 -56.5 149.8 -4.8 1.0 1.7 255 277 A A T 3 S+ 0 0 83 1,-0.3 6,-0.0 5,-0.1 -2,-0.0 0.815 115.9 50.7 -54.8 -37.4 -7.3 3.2 3.5 256 278 A D T 3 S+ 0 0 159 4,-0.1 -1,-0.3 3,-0.0 5,-0.1 0.362 78.4 135.5 -85.1 5.3 -8.8 0.4 5.5 257 279 A S X> - 0 0 16 -3,-2.0 4,-1.6 1,-0.2 3,-0.8 -0.290 58.6-137.1 -55.5 132.0 -5.5 -0.9 6.7 258 280 A P H 3> S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.821 104.6 62.9 -59.4 -26.3 -5.7 -1.7 10.4 259 281 A F H 3> S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.845 100.8 49.7 -71.4 -30.3 -2.3 -0.0 10.7 260 282 A R H <> S+ 0 0 83 -3,-0.8 4,-2.6 -6,-0.2 -1,-0.2 0.907 111.2 51.0 -66.8 -41.4 -3.8 3.3 9.6 261 283 A K H X S+ 0 0 158 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.931 111.3 44.4 -63.4 -47.8 -6.6 2.9 12.1 262 284 A V H X S+ 0 0 26 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.800 114.3 51.3 -70.9 -24.4 -4.3 2.2 15.1 263 285 A K H X S+ 0 0 26 -4,-1.2 4,-3.2 -5,-0.2 5,-0.2 0.916 106.3 53.9 -74.6 -43.7 -2.0 5.0 14.1 264 286 A A H X S+ 0 0 43 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.885 105.8 53.5 -56.7 -43.6 -4.9 7.5 13.8 265 287 A R H X S+ 0 0 125 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.924 113.8 42.5 -55.6 -49.6 -6.0 6.7 17.4 266 288 A F H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.953 114.8 48.2 -65.3 -51.6 -2.5 7.4 18.7 267 289 A V H X S+ 0 0 25 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.924 112.7 48.9 -57.6 -45.5 -1.9 10.5 16.6 268 290 A D H X S+ 0 0 106 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.906 114.0 45.0 -61.9 -43.8 -5.3 12.1 17.5 269 291 A A H X S+ 0 0 27 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.902 114.1 49.6 -66.3 -42.4 -4.8 11.4 21.2 270 292 A Y H X S+ 0 0 11 -4,-2.8 4,-1.2 1,-0.2 3,-0.3 0.931 110.9 49.0 -62.7 -47.1 -1.2 12.7 21.2 271 293 A K H <>S+ 0 0 83 -4,-2.8 5,-2.9 -5,-0.2 3,-0.5 0.901 109.1 53.4 -58.3 -41.4 -2.2 15.9 19.3 272 294 A A H <5S+ 0 0 90 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.819 114.4 41.5 -65.0 -30.9 -5.0 16.5 21.8 273 295 A A H <5S+ 0 0 38 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.591 118.0 47.0 -90.6 -12.7 -2.6 16.2 24.7 274 296 A N T ><5S- 0 0 42 -4,-1.2 3,-1.5 -3,-0.5 -1,-0.2 -0.079 116.7 -94.1-127.8 35.0 0.2 18.2 23.1 275 297 A G T 3 5S- 0 0 84 -3,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.754 84.9 -53.8 63.6 27.1 -1.3 21.3 21.6 276 298 A G T 3 - 0 0 19 -2,-0.1 3,-1.4 -263,-0.1 4,-0.5 -0.645 39.9 -94.0 -96.1 170.5 7.2 10.7 16.2 281 303 A I T >> S+ 0 0 0 -56,-0.6 3,-1.8 1,-0.3 4,-0.6 0.782 113.8 71.6 -57.4 -31.8 7.1 6.9 16.3 282 304 A F H >> S+ 0 0 6 1,-0.3 3,-1.1 -265,-0.2 4,-0.5 0.818 90.2 59.8 -64.3 -26.8 8.9 6.4 19.6 283 305 A G H X> S+ 0 0 0 -3,-1.4 4,-1.9 1,-0.2 3,-1.0 0.800 95.2 65.7 -64.1 -27.6 5.9 7.6 21.6 284 306 A V H <> S+ 0 0 0 -3,-1.8 4,-3.3 -4,-0.5 5,-0.3 0.721 87.0 68.2 -73.3 -17.0 3.9 4.8 20.0 285 307 A H H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.5 0.949 111.7 49.5 -64.0 -48.1 -2.0 -3.5 29.4 294 316 A E H 3< S+ 0 0 65 -4,-3.4 3,-0.2 1,-0.2 -1,-0.2 0.891 109.7 52.1 -58.5 -40.7 -5.5 -2.0 28.8 295 317 A N H 3< S+ 0 0 97 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.797 112.5 46.1 -66.3 -27.8 -6.7 -5.2 27.1 296 318 A A H S+ 0 0 65 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.931 112.0 42.8 -59.0 -44.6 -10.6 -6.3 32.8 299 321 A A H >> S+ 0 0 36 -4,-0.4 4,-0.8 1,-0.2 3,-0.6 0.900 113.1 53.6 -65.7 -39.8 -9.7 -10.0 33.3 300 322 A A H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.8 0.878 103.4 56.7 -61.0 -37.5 -7.1 -9.1 35.9 301 323 A L H 3< S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.766 101.3 57.3 -66.9 -25.5 -9.7 -7.1 37.9 302 324 A K H << S+ 0 0 190 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.776 111.3 43.9 -71.3 -25.4 -11.8 -10.2 38.1 303 325 A A H << S- 0 0 73 -4,-0.8 2,-0.3 -3,-0.8 -2,-0.2 0.788 125.3 -16.2 -90.3 -33.2 -9.0 -12.1 39.7 304 326 A A < - 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