==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ODORANT-BINDING PROTEIN 27-JUL-08 3DYE . COMPND 2 MOLECULE: D7 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AEDES AEGYPTI; . AUTHOR J.F.ANDERSEN,E.CALVO,B.J.MANS,J.M.RIBEIRO . 302 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 48.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 3 2 2 1 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 142 0, 0.0 58,-0.1 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 -21.3 2.5 4.6 2.7 2 2 A G + 0 0 31 56,-0.2 2,-0.2 2,-0.1 74,-0.0 -0.277 360.0 90.7 -75.8 174.7 0.7 1.6 1.2 3 3 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.600 65.3-156.2 -69.3 164.6 0.3 -1.4 0.9 4 4 A F - 0 0 11 -2,-0.2 -2,-0.1 4,-0.0 54,-0.0 -0.936 7.1-145.6-118.5 133.9 -2.4 -1.6 3.6 5 5 A D > - 0 0 40 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.317 42.1 -90.3 -84.3 173.7 -3.4 -4.6 5.7 6 6 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.859 127.5 48.9 -55.4 -39.7 -7.0 -5.2 6.9 7 7 A E H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.870 109.8 52.3 -66.7 -39.5 -6.5 -3.3 10.1 8 8 A E H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 112.4 44.6 -64.4 -41.5 -4.9 -0.4 8.3 9 9 A M H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.892 111.5 53.5 -69.2 -38.3 -7.8 -0.1 6.0 10 10 A L H X S+ 0 0 31 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.908 108.8 50.0 -60.4 -43.8 -10.3 -0.5 8.8 11 11 A F H X S+ 0 0 19 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.939 112.4 47.5 -59.0 -48.5 -8.5 2.4 10.6 12 12 A I H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.937 114.1 45.3 -59.0 -51.3 -8.8 4.6 7.5 13 13 A F H X S+ 0 0 29 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.941 117.0 43.7 -59.9 -50.7 -12.5 3.8 6.8 14 14 A T H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.880 114.6 48.9 -67.4 -39.3 -13.6 4.3 10.4 15 15 A R H X S+ 0 0 12 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.933 112.5 48.7 -63.6 -45.0 -11.5 7.5 11.0 16 16 A a H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.3 -2,-0.2 0.895 114.0 46.4 -64.1 -39.1 -12.8 9.0 7.8 17 17 A M H >X S+ 0 0 11 -4,-2.4 4,-2.7 -5,-0.2 3,-0.7 0.929 110.7 52.6 -65.9 -45.5 -16.4 8.1 8.7 18 18 A E H 3< S+ 0 0 27 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.4 42.9 -55.5 -42.3 -15.9 9.5 12.3 19 19 A D H 3< S+ 0 0 82 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.610 124.9 32.7 -80.6 -13.1 -14.6 12.8 10.8 20 20 A N H << S+ 0 0 36 -4,-0.8 -2,-0.2 -3,-0.7 30,-0.2 0.620 81.9 110.6-124.8 -16.8 -17.2 13.1 8.1 21 21 A L < - 0 0 11 -4,-2.7 6,-0.1 -5,-0.1 7,-0.1 -0.360 67.6-119.7 -60.4 137.0 -20.6 11.6 9.2 22 22 A E - 0 0 67 4,-0.1 2,-0.4 5,-0.1 -1,-0.1 -0.304 24.0-121.0 -64.0 159.6 -23.3 14.2 9.7 23 23 A D S S+ 0 0 126 257,-0.1 3,-0.3 4,-0.1 2,-0.2 -0.843 72.5 16.5 -99.3 146.9 -24.9 14.4 13.1 24 24 A G S > S- 0 0 58 -2,-0.4 3,-1.6 1,-0.2 4,-0.5 -0.640 116.8 -1.4 99.9-151.4 -28.6 13.9 13.5 25 25 A A T 3 S+ 0 0 93 1,-0.3 3,-0.2 -2,-0.2 -1,-0.2 0.763 129.2 46.8 -52.0 -40.8 -31.2 12.3 11.2 26 26 A N T 3> S+ 0 0 88 -3,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.604 90.1 86.7 -81.4 -11.5 -29.0 11.4 8.2 27 27 A R H <> S+ 0 0 9 -3,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.919 90.8 41.2 -58.6 -54.5 -26.1 9.9 10.3 28 28 A L H > S+ 0 0 108 -4,-0.5 4,-2.4 -3,-0.2 -1,-0.2 0.931 116.8 48.3 -63.6 -48.3 -27.4 6.3 10.5 29 29 A P H > S+ 0 0 65 0, 0.0 4,-1.5 0, 0.0 -2,-0.2 0.912 114.2 47.9 -53.8 -45.6 -28.7 6.1 6.9 30 30 A M H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.926 111.2 50.2 -59.7 -49.5 -25.3 7.6 5.6 31 31 A L H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.914 106.8 54.6 -56.2 -48.5 -23.3 5.1 7.7 32 32 A A H X S+ 0 0 57 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.858 113.7 42.4 -55.0 -40.3 -25.3 2.1 6.4 33 33 A K H ><>S+ 0 0 65 -4,-1.5 5,-2.7 2,-0.2 3,-0.9 0.936 113.4 49.2 -73.4 -49.0 -24.5 3.1 2.8 34 34 A W H ><5S+ 0 0 7 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.871 105.8 58.3 -60.9 -39.3 -20.8 4.0 3.3 35 35 A K H 3<5S+ 0 0 125 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.793 106.8 48.7 -58.2 -30.7 -20.2 0.7 5.2 36 36 A E T <<5S- 0 0 91 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.248 123.4-105.7 -93.9 10.5 -21.4 -1.1 2.1 37 37 A W T < 5S+ 0 0 36 -3,-1.9 2,-0.9 1,-0.2 -3,-0.2 0.745 77.0 140.4 65.5 26.3 -19.1 1.0 -0.2 38 38 A I < - 0 0 56 -5,-2.7 2,-1.9 -6,-0.1 -1,-0.2 -0.873 41.1-158.6 -97.1 100.0 -22.2 2.9 -1.4 39 39 A N + 0 0 23 -2,-0.9 -5,-0.1 -3,-0.1 -9,-0.0 -0.561 35.2 177.5 -84.4 75.3 -20.8 6.4 -1.6 40 40 A E + 0 0 94 -2,-1.9 -6,-0.2 -10,-0.2 -7,-0.1 -0.940 45.9 43.5-137.0 156.3 -24.2 8.2 -1.5 41 41 A P > - 0 0 51 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.425 65.4-168.3 -72.5 133.3 -25.7 10.7 -1.3 42 42 A V T 3 S+ 0 0 57 1,-0.3 -2,-0.1 5,-0.1 72,-0.1 0.737 85.0 56.0 -63.7 -23.7 -23.4 11.9 -4.1 43 43 A D T 3 S+ 0 0 142 4,-0.1 -1,-0.3 5,-0.0 -3,-0.1 0.500 86.0 102.9 -86.4 -6.8 -24.7 15.5 -3.6 44 44 A S <> - 0 0 14 -3,-1.6 4,-2.4 1,-0.1 5,-0.2 -0.687 66.1-146.5 -85.0 126.1 -23.8 15.6 0.1 45 45 A P H > S+ 0 0 87 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.818 102.8 57.4 -52.9 -35.9 -20.7 17.5 1.2 46 46 A A H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 108.7 43.9 -62.4 -48.3 -20.3 14.8 4.0 47 47 A T H > S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.898 114.7 50.9 -61.2 -42.0 -20.2 12.0 1.4 48 48 A Q H X S+ 0 0 35 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.917 113.7 42.6 -65.6 -43.8 -17.8 14.1 -0.8 49 49 A b H X S+ 0 0 37 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.856 112.3 54.3 -72.5 -33.4 -15.4 14.8 2.1 50 50 A F H X S+ 0 0 10 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.956 110.6 47.2 -58.9 -51.3 -15.6 11.2 3.3 51 51 A G H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.932 112.7 48.1 -54.6 -52.0 -14.6 10.1 -0.2 52 52 A K H X S+ 0 0 51 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.913 108.7 55.9 -54.4 -45.7 -11.8 12.6 -0.3 53 53 A a H X S+ 0 0 19 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.923 109.9 43.7 -53.6 -51.9 -10.6 11.5 3.1 54 54 A V H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 6,-0.3 0.923 114.4 50.0 -60.8 -48.4 -10.3 7.8 2.1 55 55 A L H X>S+ 0 0 8 -4,-2.4 6,-2.1 1,-0.2 4,-1.0 0.876 113.9 45.5 -59.0 -41.5 -8.6 8.7 -1.2 56 56 A V H <5S+ 0 0 41 -4,-2.9 3,-0.3 -5,-0.2 -2,-0.2 0.940 112.7 48.8 -68.5 -48.3 -6.1 11.0 0.6 57 57 A R H <5S+ 0 0 84 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.840 115.2 45.2 -62.0 -34.2 -5.3 8.5 3.4 58 58 A T H <5S- 0 0 3 -4,-2.2 -1,-0.2 -5,-0.2 -56,-0.2 0.726 111.4-121.5 -79.1 -22.5 -4.8 5.7 0.9 59 59 A G T <5S+ 0 0 13 -4,-1.0 -3,-0.2 -3,-0.3 13,-0.2 0.408 79.2 122.8 91.7 0.1 -2.7 7.9 -1.4 60 60 A L S > -A 67 0A 56 5,-3.2 5,-1.7 -2,-0.5 4,-1.6 -0.901 3.8-169.2-104.1 105.6 -2.3 13.2 -3.9 63 63 A P T 45S+ 0 0 43 0, 0.0 41,-0.2 0, 0.0 -1,-0.1 0.670 86.2 55.5 -72.3 -16.0 -3.3 16.7 -2.8 64 64 A V T 45S+ 0 0 133 1,-0.1 40,-0.1 3,-0.1 -2,-0.0 0.938 117.7 33.2 -75.3 -50.0 0.2 18.0 -3.3 65 65 A A T 45S- 0 0 38 2,-0.2 -1,-0.1 1,-0.0 3,-0.1 0.668 102.0-136.0 -74.4 -19.2 0.4 16.9 -6.9 66 66 A Q T <5 + 0 0 77 -4,-1.6 36,-1.6 1,-0.3 2,-0.3 0.910 69.8 106.4 54.9 47.0 -3.3 17.6 -7.3 67 67 A K E - 0 0 60 -9,-2.6 3,-0.9 -2,-0.2 4,-0.3 -0.923 16.7-175.5-131.7 103.8 -2.0 8.0 -8.2 70 70 A A T >> S+ 0 0 7 -2,-0.5 4,-1.5 1,-0.2 3,-0.8 0.582 73.0 84.3 -75.1 -9.5 -2.7 4.5 -9.6 71 71 A S H 3> S+ 0 0 64 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.802 81.2 64.6 -66.4 -25.1 0.6 3.1 -8.2 72 72 A V H <> S+ 0 0 16 -3,-0.9 4,-2.2 2,-0.2 -1,-0.3 0.879 101.1 51.0 -59.2 -40.3 -1.2 2.6 -4.9 73 73 A I H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.3 -2,-0.2 0.934 111.1 45.6 -65.0 -47.9 -3.4 0.1 -6.7 74 74 A Q H X S+ 0 0 51 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.902 112.3 51.7 -66.4 -38.1 -0.5 -1.9 -8.1 75 75 A E H X S+ 0 0 89 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.918 110.4 49.4 -61.8 -43.1 1.3 -1.8 -4.7 76 76 A Q H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.898 112.0 47.4 -61.3 -41.9 -1.8 -3.2 -3.0 77 77 A F H < S+ 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.884 108.5 55.4 -69.2 -38.9 -2.2 -6.0 -5.6 78 78 A K H < S+ 0 0 164 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 112.5 42.8 -56.4 -44.4 1.5 -6.9 -5.3 79 79 A A H < S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.804 126.1 32.8 -72.9 -30.5 1.0 -7.3 -1.5 80 80 A Y >< + 0 0 45 -4,-1.7 3,-1.8 -5,-0.2 -1,-0.2 -0.591 61.4 164.6-131.2 70.5 -2.3 -9.2 -1.9 81 81 A P G > S+ 0 0 90 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.772 76.9 61.0 -61.0 -25.9 -2.4 -11.3 -5.1 82 82 A S G 3 S+ 0 0 90 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.668 94.4 65.0 -72.9 -16.1 -5.4 -13.3 -3.9 83 83 A L G < S+ 0 0 5 -3,-1.8 2,-0.3 -6,-0.2 -1,-0.2 0.313 105.3 35.6 -95.4 8.9 -7.5 -10.2 -3.7 84 84 A G < - 0 0 26 -3,-1.0 2,-0.5 -7,-0.1 3,-0.1 -0.998 64.7-128.4-156.6 157.2 -7.5 -9.4 -7.4 85 85 A E >> - 0 0 113 -2,-0.3 4,-2.7 1,-0.1 3,-0.6 -0.938 34.4-129.2-101.1 128.8 -7.6 -10.7 -11.0 86 86 A K H 3> S+ 0 0 143 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.873 104.7 49.9 -47.2 -51.0 -4.7 -9.1 -13.0 87 87 A S H 3> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 115.0 44.6 -59.0 -38.8 -6.9 -7.9 -15.9 88 88 A K H <> S+ 0 0 107 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.874 113.0 49.1 -74.8 -40.4 -9.4 -6.3 -13.6 89 89 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.936 112.3 50.4 -62.7 -44.5 -6.8 -4.7 -11.3 90 90 A E H X S+ 0 0 59 -4,-3.2 4,-2.6 -5,-0.3 -2,-0.2 0.900 109.1 50.8 -58.1 -42.8 -5.2 -3.4 -14.5 91 91 A A H X S+ 0 0 44 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.891 112.9 46.5 -62.1 -41.4 -8.5 -2.0 -15.8 92 92 A Y H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.933 113.3 47.3 -65.8 -49.6 -9.0 -0.2 -12.4 93 93 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.887 111.2 53.4 -59.1 -40.7 -5.5 1.2 -12.3 94 94 A N H X S+ 0 0 63 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.879 106.1 51.9 -61.3 -41.2 -5.9 2.3 -15.9 95 95 A A H < S+ 0 0 24 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.890 112.7 45.7 -63.6 -40.7 -9.1 4.2 -15.1 96 96 A V H >< S+ 0 0 2 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.902 109.6 54.9 -68.4 -40.9 -7.3 6.0 -12.2 97 97 A K H 3< S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.791 107.8 50.5 -59.2 -30.7 -4.3 6.8 -14.5 98 98 A Q T 3< S+ 0 0 147 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.447 81.6 112.0 -96.9 -1.8 -6.5 8.4 -17.0 99 99 A L S < S- 0 0 35 -3,-1.1 -31,-0.2 -4,-0.4 3,-0.1 -0.450 71.6-117.9 -63.5 141.6 -8.3 10.7 -14.5 100 100 A P - 0 0 87 0, 0.0 -32,-0.3 0, 0.0 -1,-0.1 -0.299 40.2 -73.6 -80.1 169.6 -7.3 14.3 -15.2 101 101 A S - 0 0 84 -34,-0.1 2,-0.4 -2,-0.0 -34,-0.2 -0.416 59.8-159.4 -59.3 136.3 -5.5 16.6 -12.7 102 102 A T - 0 0 13 -36,-1.6 7,-0.1 -3,-0.1 -1,-0.0 -0.971 16.4-111.2-131.6 137.3 -8.1 17.6 -10.1 103 103 A N - 0 0 107 -2,-0.4 2,-1.6 1,-0.1 6,-0.2 -0.301 34.7-111.6 -62.7 148.1 -8.3 20.4 -7.6 104 104 A N S S+ 0 0 67 -41,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.495 77.1 109.8 -86.9 66.6 -8.0 19.6 -3.9 105 105 A D S > S- 0 0 71 -2,-1.6 4,-2.4 1,-0.1 5,-0.3 -0.965 76.4-115.3-129.2 152.2 -11.5 20.2 -2.7 106 106 A b H > S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.906 112.9 49.5 -50.5 -52.5 -13.9 17.5 -1.5 107 107 A A H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 113.1 45.9 -56.3 -47.9 -16.4 18.1 -4.3 108 108 A A H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 115.5 44.8 -64.9 -46.1 -13.8 18.0 -7.1 109 109 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.939 115.2 47.9 -64.9 -47.3 -12.0 14.9 -5.9 110 110 A F H X S+ 0 0 10 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.921 112.1 49.0 -59.8 -46.8 -15.2 13.0 -5.2 111 111 A K H < S+ 0 0 169 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.882 111.7 49.1 -62.1 -40.7 -16.8 13.9 -8.6 112 112 A A H < S+ 0 0 19 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.909 118.5 38.8 -64.8 -42.4 -13.6 12.8 -10.5 113 113 A Y H >X S+ 0 0 16 -4,-2.2 4,-2.6 1,-0.2 3,-0.6 0.748 94.4 82.5 -81.8 -27.3 -13.4 9.5 -8.7 114 114 A D H 3X S+ 0 0 27 -4,-2.3 4,-2.4 1,-0.3 5,-0.2 0.865 90.5 50.7 -52.5 -46.0 -17.0 8.5 -8.5 115 115 A P H 3> S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.890 112.5 48.2 -59.2 -36.9 -17.2 7.1 -12.0 116 116 A V H <> S+ 0 0 9 -3,-0.6 4,-1.8 -4,-0.4 -2,-0.2 0.927 109.6 52.7 -66.3 -44.8 -14.1 5.0 -11.3 117 117 A H H < S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.2 7,-0.2 0.924 114.2 42.0 -54.4 -48.2 -15.7 3.8 -8.0 118 118 A K H >< S+ 0 0 147 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.887 116.4 47.5 -69.1 -39.0 -18.9 2.7 -9.7 119 119 A A H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.688 128.1 25.8 -76.3 -19.2 -17.1 1.1 -12.7 120 120 A H T 3X S+ 0 0 32 -4,-1.8 4,-2.6 -3,-0.2 5,-0.3 -0.052 79.6 130.8-136.2 32.3 -14.6 -0.8 -10.5 121 121 A K H <> S+ 0 0 74 -3,-0.7 4,-2.9 1,-0.2 5,-0.2 0.924 77.4 41.4 -57.7 -55.4 -16.5 -1.2 -7.2 122 122 A D H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 114.5 52.3 -62.1 -42.4 -15.9 -4.9 -6.7 123 123 A T H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 115.6 40.4 -58.6 -48.3 -12.2 -4.7 -7.8 124 124 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.908 114.4 52.9 -69.4 -42.7 -11.4 -1.9 -5.4 125 125 A K H <>S+ 0 0 34 -4,-2.9 5,-3.2 -5,-0.3 6,-0.8 0.914 112.2 44.8 -58.5 -47.6 -13.5 -3.4 -2.6 126 126 A N H ><5S+ 0 0 42 -4,-2.7 3,-1.0 4,-0.2 5,-0.2 0.937 115.5 47.2 -62.7 -47.9 -11.7 -6.7 -2.8 127 127 A L H 3<5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.834 112.8 47.3 -62.2 -39.7 -8.2 -5.2 -3.1 128 128 A F T 3<5S- 0 0 6 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.022 119.5 -99.2-103.4 28.9 -8.6 -2.7 -0.2 129 129 A H T < 5S+ 0 0 13 -3,-1.0 -3,-0.2 1,-0.1 -2,-0.1 0.828 86.8 123.1 65.0 38.2 -10.1 -5.2 2.4 130 130 A G < + 0 0 10 -5,-3.2 2,-0.8 -6,-0.2 -4,-0.2 0.473 43.7 96.8-102.2 -8.4 -13.7 -4.3 1.9 131 131 A N > - 0 0 41 -6,-0.8 4,-3.0 -5,-0.2 5,-0.3 -0.778 64.0-156.2 -84.5 110.6 -14.9 -7.8 1.0 132 132 A K H > S+ 0 0 162 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.864 90.0 47.1 -57.2 -43.3 -16.1 -9.2 4.3 133 133 A E H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 116.3 42.8 -65.4 -49.6 -15.6 -12.9 3.3 134 134 A L H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.890 115.6 49.5 -64.5 -40.5 -12.1 -12.4 2.0 135 135 A T H X S+ 0 0 17 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.892 106.5 55.0 -68.5 -40.6 -11.1 -10.1 4.9 136 136 A K H X S+ 0 0 126 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.926 108.4 51.1 -55.0 -44.8 -12.4 -12.7 7.5 137 137 A G H X S+ 0 0 31 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.871 109.9 48.3 -59.9 -41.0 -10.1 -15.2 5.8 138 138 A L H X S+ 0 0 26 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.900 110.6 50.6 -69.0 -41.6 -7.1 -13.0 6.0 139 139 A Y H X S+ 0 0 16 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.878 110.8 50.2 -61.0 -39.6 -7.8 -12.2 9.7 140 140 A E H < S+ 0 0 135 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.904 111.9 47.0 -67.4 -42.0 -8.0 -15.9 10.4 141 141 A K H < S+ 0 0 183 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.927 117.6 42.9 -61.3 -46.3 -4.7 -16.6 8.6 142 142 A L H >< S+ 0 0 64 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.870 82.4 156.6 -72.6 -38.8 -3.0 -13.8 10.4 143 143 A G G >< S+ 0 0 27 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 -0.239 71.5 6.2 54.3-126.2 -4.5 -14.5 13.9 144 144 A K G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.552 120.0 75.2 -64.6 -10.4 -2.4 -13.2 16.7 145 145 A D G < S+ 0 0 96 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.533 98.5 41.4 -87.5 -5.6 -0.0 -11.4 14.3 146 146 A I S < S- 0 0 10 -3,-1.5 2,-0.2 -7,-0.2 -1,-0.0 -0.987 96.6 -97.1-135.4 145.9 -2.5 -8.6 13.5 147 147 A R - 0 0 1 -2,-0.3 2,-0.2 1,-0.1 6,-0.1 -0.468 48.2-142.0 -57.1 127.5 -4.8 -6.6 15.6 148 148 A Q > - 0 0 54 -2,-0.2 3,-1.9 4,-0.1 8,-0.1 -0.590 24.7 -86.1 -95.1 154.7 -8.2 -8.3 15.3 149 149 A K T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 124,-0.1 -0.337 117.3 19.0 -54.9 139.0 -11.7 -6.6 15.1 150 150 A K T 3 S+ 0 0 157 122,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.555 100.1 118.6 72.7 11.6 -13.0 -6.0 18.6 151 151 A Q S < S- 0 0 29 -3,-1.9 -1,-0.2 120,-0.2 5,-0.0 -0.935 70.1-117.6-111.1 127.6 -9.5 -6.3 20.2 152 152 A S > - 0 0 8 -2,-0.5 4,-2.1 1,-0.2 120,-0.2 -0.337 17.7-135.8 -52.3 133.8 -7.9 -3.5 22.0 153 153 A Y H > S+ 0 0 34 115,-0.3 4,-2.1 1,-0.2 5,-0.2 0.864 107.6 55.8 -63.4 -32.8 -4.7 -2.4 20.2 154 154 A F H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.929 106.8 49.2 -61.9 -45.9 -3.0 -2.3 23.6 155 155 A E H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 107.3 56.0 -58.9 -43.0 -4.0 -5.9 24.2 156 156 A F H X S+ 0 0 10 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.940 113.2 39.5 -55.3 -50.4 -2.6 -6.8 20.8 157 157 A c H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.916 113.9 53.9 -67.9 -44.0 0.8 -5.4 21.6 158 158 A E H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.894 110.4 47.1 -57.0 -43.2 0.8 -6.7 25.2 159 159 A N H < S+ 0 0 55 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 111.5 52.0 -69.1 -32.7 0.1 -10.2 24.1 160 160 A K H < S+ 0 0 102 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.897 124.5 23.9 -68.5 -42.0 2.8 -10.1 21.4 161 161 A Y H < S+ 0 0 32 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.710 133.9 32.4-104.1 -24.2 5.6 -8.9 23.7 162 162 A Y S < S- 0 0 0 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.614 88.2-162.2-129.8 70.4 4.5 -10.1 27.1 163 163 A P > - 0 0 43 0, 0.0 3,-1.7 0, 0.0 6,-0.5 -0.186 23.9-103.1 -65.7 143.0 2.6 -13.3 26.2 164 164 A A T 3 S+ 0 0 73 1,-0.2 3,-0.1 -5,-0.1 136,-0.0 -0.329 108.4 27.0 -57.6 141.4 0.2 -15.0 28.6 165 165 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.291 101.9 109.5 85.7 -9.3 1.7 -18.1 30.3 166 166 A S S X S- 0 0 36 -3,-1.7 3,-0.9 1,-0.1 4,-0.3 -0.509 83.0-114.5 -95.9 165.8 5.2 -16.7 29.9 167 167 A D T 3 S+ 0 0 134 1,-0.2 3,-0.2 -2,-0.2 4,-0.1 0.540 114.7 63.3 -73.2 -7.3 7.6 -15.4 32.6 168 168 A K T > S+ 0 0 62 -5,-0.3 3,-1.9 1,-0.1 4,-0.3 0.682 78.3 83.7 -86.2 -23.3 7.2 -11.9 31.0 169 169 A R G X S+ 0 0 42 -3,-0.9 3,-2.0 -6,-0.5 4,-0.3 0.840 79.2 65.6 -52.8 -40.2 3.5 -11.6 31.6 170 170 A Q G > S+ 0 0 146 -4,-0.3 3,-1.2 1,-0.3 4,-0.4 0.686 86.2 71.9 -56.9 -24.1 4.0 -10.3 35.2 171 171 A Q G X> S+ 0 0 63 -3,-1.9 4,-2.5 1,-0.2 3,-0.6 0.722 79.8 74.8 -67.4 -22.5 5.6 -7.1 33.8 172 172 A L H <> S+ 0 0 0 -3,-2.0 4,-2.7 -4,-0.3 -1,-0.2 0.763 82.4 69.3 -62.6 -26.3 2.2 -5.9 32.6 173 173 A d H <4 S+ 0 0 48 -3,-1.2 -1,-0.2 -4,-0.3 4,-0.2 0.928 111.7 30.0 -55.0 -48.3 1.3 -5.0 36.2 174 174 A Q H X4>S+ 0 0 109 -3,-0.6 5,-1.8 -4,-0.4 3,-1.4 0.898 117.8 57.0 -76.6 -45.7 3.9 -2.2 36.2 175 175 A I H ><5S+ 0 0 9 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.916 104.4 52.1 -54.0 -47.4 3.6 -1.4 32.5 176 176 A R T 3<5S+ 0 0 21 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.623 103.1 60.2 -69.6 -11.4 -0.2 -0.8 32.7 177 177 A Q T < 5S- 0 0 112 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 -0.006 125.0-101.2-101.7 27.6 0.5 1.7 35.6 178 178 A Y T < 5 + 0 0 28 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.723 65.5 160.1 59.6 28.5 2.7 3.8 33.3 179 179 A T < - 0 0 50 -5,-1.8 2,-0.8 -4,-0.1 -1,-0.2 -0.691 36.0-138.7 -74.4 125.4 6.0 2.6 34.6 180 180 A V - 0 0 25 -2,-0.5 2,-0.1 69,-0.1 -5,-0.0 -0.799 20.4-162.2 -92.7 109.6 8.6 3.4 31.9 181 181 A L - 0 0 28 -2,-0.8 68,-0.1 1,-0.1 0, 0.0 -0.385 13.7-145.6 -86.5 170.9 11.0 0.5 31.5 182 182 A D + 0 0 111 -2,-0.1 2,-0.1 4,-0.0 -1,-0.1 0.428 57.1 107.3-115.5 -6.8 14.4 0.7 29.8 183 183 A D S > S- 0 0 60 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.360 76.9-111.5 -88.4 160.4 14.9 -2.6 28.0 184 184 A A H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 116.0 55.3 -51.4 -44.5 14.8 -3.5 24.3 185 185 A L H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 108.8 46.6 -59.5 -46.4 11.6 -5.5 24.7 186 186 A F H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.876 110.0 53.4 -64.2 -37.6 9.7 -2.6 26.3 187 187 A K H X S+ 0 0 43 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.898 110.9 47.4 -63.5 -38.9 11.0 -0.2 23.6 188 188 A E H X S+ 0 0 102 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.903 112.6 49.0 -65.4 -45.2 9.6 -2.6 20.9 189 189 A H H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.921 110.8 49.6 -59.9 -46.5 6.3 -2.9 22.8 190 190 A T H X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.861 108.3 54.2 -65.6 -34.5 6.0 0.8 23.1 191 191 A D H X S+ 0 0 34 -4,-1.9 4,-2.2 -5,-0.2 5,-0.3 0.915 107.8 50.8 -59.8 -44.4 6.8 1.1 19.3 192 192 A c H X S+ 0 0 12 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.915 115.5 41.4 -58.0 -47.6 3.9 -1.3 18.7 193 193 A V H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 6,-0.2 0.958 114.7 48.9 -69.6 -49.8 1.5 0.7 20.8 194 194 A M H <>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 6,-1.4 0.873 116.9 42.0 -62.6 -39.0 2.5 4.2 19.6 195 195 A K H ><5S+ 0 0 60 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.2 0.857 109.9 59.8 -72.5 -34.5 2.4 3.2 16.0 196 196 A G H 3<5S+ 0 0 2 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.826 111.5 38.2 -64.7 -35.0 -0.9 1.3 16.6 197 197 A I T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.240 116.0-117.4-101.0 11.6 -2.7 4.5 17.8 198 198 A R T < 5S+ 0 0 44 -3,-1.0 -3,-0.2 2,-0.3 12,-0.2 0.634 78.6 126.1 69.1 21.9 -0.9 6.6 15.2 199 199 A Y S - 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