==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 26-FEB-04 1SHU . COMPND 2 MOLECULE: ANTHRAX TOXIN RECEPTOR 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.B.LACY,D.J.WIGELSWORTH,H.M.SCOBIE,J.A.T.YOUNG,R.J.COLLIER . 181 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 81.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 1 0 0 0 0 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 2 0 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 38 X S 0 0 166 0, 0.0 180,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.6 46.5 19.0 -21.2 2 39 X a - 0 0 75 178,-0.1 2,-0.3 179,-0.1 178,-0.2 -0.276 360.0-150.8 -67.1 151.3 48.6 17.1 -18.7 3 40 X R B -a 180 0A 103 176,-2.3 178,-1.6 1,-0.1 3,-0.1 -0.858 26.5-174.6-123.8 155.9 49.0 18.5 -15.2 4 41 X R S S+ 0 0 168 -2,-0.3 2,-0.5 176,-0.2 -1,-0.1 0.583 70.2 74.3-114.9 -26.2 51.6 18.6 -12.4 5 42 X A + 0 0 43 36,-0.1 2,-0.4 2,-0.0 36,-0.2 -0.828 55.7 169.4 -98.2 122.5 49.6 20.4 -9.6 6 43 X F E -b 41 0B 2 34,-1.8 36,-1.6 -2,-0.5 2,-0.5 -0.999 23.5-155.1-130.8 142.6 46.9 18.5 -7.7 7 44 X D E -bc 42 104B 11 96,-2.4 98,-2.8 -2,-0.4 2,-0.6 -0.965 16.7-159.5-114.5 116.5 45.0 19.4 -4.6 8 45 X L E -bc 43 105B 0 34,-3.0 36,-2.2 -2,-0.5 2,-0.6 -0.902 4.5-165.8-105.9 116.5 43.7 16.2 -2.8 9 46 X Y E -bc 44 106B 0 96,-3.2 98,-2.8 -2,-0.6 2,-0.6 -0.902 5.8-158.1-104.4 108.5 40.7 16.6 -0.4 10 47 X F E -bc 45 107B 0 34,-2.8 36,-2.9 -2,-0.6 2,-0.7 -0.831 4.7-166.8 -87.1 118.5 40.2 13.5 1.9 11 48 X V E -bc 46 108B 0 96,-2.6 98,-2.3 -2,-0.6 2,-0.5 -0.928 16.2-163.9-111.4 103.6 36.6 13.6 3.1 12 49 X L E -bc 47 109B 0 34,-3.1 36,-2.1 -2,-0.7 2,-0.5 -0.842 17.3-136.1-112.3 122.3 36.5 11.0 5.9 13 50 X D E +b 48 0B 0 96,-2.4 36,-0.2 -2,-0.5 12,-0.1 -0.597 27.2 167.2 -70.3 116.9 33.5 9.3 7.5 14 51 X K + 0 0 42 34,-2.8 64,-2.1 -2,-0.5 -1,-0.1 -0.132 32.3 133.6-118.8 34.7 33.9 9.1 11.3 15 52 X S S > S- 0 0 0 62,-0.2 3,-1.4 33,-0.2 4,-0.3 -0.327 73.3-101.2 -75.3 165.0 30.3 8.2 12.0 16 53 X G G > S+ 0 0 34 63,-2.6 3,-1.4 1,-0.3 4,-0.3 0.808 116.4 67.1 -58.0 -32.2 29.4 5.4 14.4 17 54 X S G 3 S+ 0 0 52 62,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.754 106.5 40.7 -63.2 -25.5 28.8 2.9 11.6 18 55 X V G X S+ 0 0 0 -3,-1.4 3,-1.9 1,-0.1 -1,-0.3 0.285 81.0 110.5-101.3 9.1 32.5 2.9 10.6 19 56 X A G X S+ 0 0 37 -3,-1.4 3,-1.2 1,-0.3 4,-0.2 0.875 77.3 50.1 -57.3 -41.1 34.0 2.9 14.1 20 57 X N G 3 S+ 0 0 158 -4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.548 115.6 44.4 -74.5 -10.1 35.3 -0.7 13.9 21 58 X N G X> S+ 0 0 16 -3,-1.9 4,-1.2 1,-0.1 3,-0.7 0.120 72.1 113.3-119.9 20.8 37.0 0.1 10.6 22 59 X W H <> S+ 0 0 18 -3,-1.2 4,-2.8 1,-0.2 3,-0.3 0.870 73.5 63.0 -62.6 -35.2 38.6 3.5 11.3 23 60 X I H 3> S+ 0 0 90 1,-0.2 4,-2.8 -4,-0.2 -1,-0.2 0.876 100.5 52.1 -53.7 -42.3 42.0 1.8 11.0 24 61 X E H <> S+ 0 0 35 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.831 111.0 47.5 -63.0 -39.5 41.3 1.0 7.3 25 62 X I H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.948 113.6 46.3 -66.9 -52.0 40.4 4.6 6.6 26 63 X Y H X S+ 0 0 23 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.919 111.5 52.2 -54.2 -49.1 43.5 6.0 8.3 27 64 X N H X S+ 0 0 61 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.868 108.3 51.1 -60.6 -39.5 45.8 3.4 6.6 28 65 X F H X S+ 0 0 8 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.928 112.4 46.1 -61.2 -47.2 44.4 4.4 3.1 29 66 X V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 113.0 48.8 -63.3 -45.2 45.0 8.1 3.8 30 67 X Q H X S+ 0 0 50 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.915 111.4 50.8 -63.0 -42.5 48.5 7.5 5.2 31 68 X Q H X S+ 0 0 68 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.884 111.7 45.9 -64.8 -38.2 49.4 5.3 2.1 32 69 X L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.912 112.6 50.6 -73.7 -37.1 48.2 7.8 -0.4 33 70 X A H < S+ 0 0 7 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.901 109.2 52.5 -59.6 -40.6 50.0 10.7 1.4 34 71 X E H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.867 108.7 50.7 -65.1 -40.2 53.1 8.6 1.4 35 72 X R H < S+ 0 0 119 -4,-1.7 2,-0.7 1,-0.2 -1,-0.2 0.869 111.3 48.1 -63.7 -40.8 52.8 8.1 -2.3 36 73 X F < + 0 0 14 -4,-1.8 -1,-0.2 1,-0.1 -4,-0.0 -0.815 59.1 146.6-114.5 93.9 52.4 11.7 -3.2 37 74 X V + 0 0 82 -2,-0.7 -1,-0.1 -3,-0.2 25,-0.1 0.557 30.6 118.2-107.3 -12.3 55.1 13.9 -1.4 38 75 X S > - 0 0 57 1,-0.1 3,-1.4 2,-0.1 -2,-0.0 -0.168 68.8-127.3 -51.8 147.0 55.7 16.7 -4.0 39 76 X P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 22,-0.1 0.785 112.2 63.6 -69.1 -28.9 54.9 20.3 -2.8 40 77 X E T 3 S+ 0 0 107 1,-0.2 -34,-1.8 -36,-0.1 2,-0.7 0.476 91.4 75.9 -70.5 -6.7 52.7 20.7 -5.9 41 78 X M E < S-b 6 0B 12 -3,-1.4 2,-0.3 -36,-0.2 -34,-0.2 -0.819 73.6-173.6 -99.8 92.4 50.7 17.8 -4.4 42 79 X R E -b 7 0B 94 -36,-1.6 -34,-3.0 -2,-0.7 2,-0.3 -0.654 4.8-157.2 -90.0 142.0 48.7 19.6 -1.6 43 80 X L E -bD 8 59B 1 16,-2.6 16,-1.9 -2,-0.3 2,-0.3 -0.914 11.6-174.1-117.8 147.0 46.6 17.6 0.9 44 81 X S E -b 9 0B 0 -36,-2.2 -34,-2.8 -2,-0.3 2,-0.5 -0.994 11.6-152.4-134.5 135.9 43.6 18.4 3.1 45 82 X F E +bD 10 56B 0 11,-1.5 11,-2.0 -2,-0.3 10,-1.6 -0.960 16.1 178.0-110.1 126.3 41.9 16.1 5.7 46 83 X I E -bD 11 54B 0 -36,-2.9 -34,-3.1 -2,-0.5 2,-0.3 -0.972 8.0-163.6-125.2 134.2 38.2 16.6 6.5 47 84 X V E -bD 12 53B 0 6,-2.6 6,-2.2 -2,-0.4 2,-0.3 -0.900 8.0-174.3-117.0 152.2 36.2 14.5 8.9 48 85 X F E +bD 13 52B 0 -36,-2.1 -34,-2.8 -2,-0.3 4,-0.2 -0.997 26.4 128.7-146.1 142.3 32.4 14.2 9.3 49 86 X S S S- 0 0 2 2,-2.1 33,-2.7 -2,-0.3 36,-0.2 -0.222 95.7 -18.6-142.1-104.9 29.8 12.7 11.5 50 87 X S S S+ 0 0 42 28,-0.3 2,-0.3 31,-0.2 31,-0.1 0.452 144.9 18.0 -87.2 -1.4 27.0 14.8 12.9 51 88 X Q S S- 0 0 101 29,-0.2 -2,-2.1 2,-0.0 2,-0.3 -0.940 82.2-130.4-154.3 164.2 29.2 17.8 12.2 52 89 X A E -D 48 0B 23 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.924 19.9-176.5-126.2 149.2 32.2 18.3 9.9 53 90 X T E -D 47 0B 58 -6,-2.2 -6,-2.6 -2,-0.3 2,-0.9 -0.999 30.7-123.0-145.1 145.6 35.7 19.8 10.5 54 91 X I E +D 46 0B 65 -2,-0.3 -8,-0.2 -8,-0.2 -2,-0.0 -0.782 29.4 176.1 -83.5 101.2 38.8 20.6 8.6 55 92 X I E S+ 0 0 50 -10,-1.6 -9,-0.2 -2,-0.9 -1,-0.2 0.899 77.6 22.4 -70.9 -47.2 41.6 18.6 10.5 56 93 X L E S-D 45 0B 7 -11,-2.0 -11,-1.5 -3,-0.1 -1,-0.3 -0.934 82.4-142.8-124.5 104.6 44.3 19.6 8.0 57 94 X P E - 0 0 77 0, 0.0 -14,-0.2 0, 0.0 11,-0.1 -0.359 50.5 -70.8 -59.7 145.8 43.7 22.7 5.9 58 95 X L E S+ 0 0 34 -16,-0.1 2,-0.3 -14,-0.1 -14,-0.2 -0.181 78.0 144.3 -46.8 124.0 45.0 22.3 2.3 59 96 X T E -D 43 0B 21 -16,-1.9 -16,-2.6 -3,-0.1 -1,-0.0 -0.991 52.7-150.7-161.2 152.5 48.8 22.3 2.4 60 97 X G + 0 0 21 -2,-0.3 2,-0.6 -18,-0.3 -19,-0.1 0.400 64.9 116.0-102.7 1.7 52.0 20.9 0.9 61 98 X D > - 0 0 84 1,-0.2 4,-1.9 -18,-0.1 3,-0.2 -0.591 54.4-157.0 -75.0 116.0 54.0 21.2 4.1 62 99 X R H > S+ 0 0 57 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.725 88.8 60.5 -71.0 -21.2 54.9 17.7 5.1 63 100 X G H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.941 109.1 43.6 -66.1 -47.4 55.4 18.6 8.8 64 101 X K H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.873 112.5 53.5 -60.8 -39.9 51.8 19.7 8.9 65 102 X I H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.935 106.6 52.1 -65.4 -40.6 50.8 16.6 7.0 66 103 X S H X S+ 0 0 68 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.874 112.3 45.1 -58.0 -41.0 52.5 14.4 9.5 67 104 X K H X S+ 0 0 95 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.839 108.5 57.0 -74.0 -35.8 50.6 16.1 12.3 68 105 X G H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.893 107.8 48.3 -60.8 -41.3 47.4 15.8 10.4 69 106 X L H X S+ 0 0 19 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.861 108.9 52.8 -65.5 -41.4 48.0 12.1 10.2 70 107 X E H X S+ 0 0 106 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.921 111.0 48.3 -57.8 -45.4 48.7 12.0 14.0 71 108 X D H < S+ 0 0 33 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.870 111.8 48.6 -61.5 -42.8 45.4 13.8 14.6 72 109 X L H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.840 103.1 62.3 -66.9 -31.1 43.5 11.4 12.3 73 110 X K H 3< S+ 0 0 125 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.815 104.1 48.3 -66.3 -30.1 45.1 8.4 14.0 74 111 X R T 3< S+ 0 0 173 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.331 81.3 130.7 -90.0 2.8 43.4 9.4 17.3 75 112 X V < - 0 0 26 -3,-1.4 -3,-0.0 -4,-0.2 -53,-0.0 -0.346 44.2-155.8 -65.2 141.4 39.9 9.9 15.9 76 113 X S - 0 0 102 -62,-0.0 -57,-0.1 2,-0.0 -1,-0.1 -0.886 15.9-140.8-117.5 93.9 37.1 8.2 17.7 77 114 X P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -62,-0.2 -0.297 38.5 140.4 -65.5 141.9 34.1 7.6 15.3 78 115 X V + 0 0 102 -64,-2.1 -28,-0.3 2,-0.2 -64,-0.1 -0.967 34.6 25.9-167.8 155.0 30.6 8.1 16.8 79 116 X G S S- 0 0 42 -2,-0.3 -63,-2.6 -64,-0.2 -62,-0.5 -0.242 85.5 -19.3 84.2-167.5 27.3 9.6 15.7 80 117 X E - 0 0 108 -65,-0.2 2,-0.5 -64,-0.1 -29,-0.2 0.000 56.9-112.4 -82.5-179.4 25.4 10.2 12.5 81 118 X T + 0 0 20 -31,-0.1 2,-1.4 -66,-0.1 34,-0.3 -0.699 36.0 164.8-125.7 78.3 26.6 10.5 8.9 82 119 X Y >> + 0 0 61 -33,-2.7 3,-1.3 -2,-0.5 4,-1.0 -0.506 7.0 163.6 -98.0 71.1 26.3 14.0 7.4 83 120 X I H 3> + 0 0 0 -2,-1.4 4,-2.5 1,-0.3 3,-0.3 0.824 68.7 67.6 -59.7 -32.2 28.5 13.4 4.3 84 121 X H H 3> S+ 0 0 32 1,-0.2 4,-2.2 -3,-0.2 -1,-0.3 0.865 97.6 54.0 -58.1 -36.1 27.1 16.6 2.7 85 122 X E H <> S+ 0 0 68 -3,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.870 108.6 47.7 -67.5 -37.3 28.8 18.7 5.4 86 123 X G H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.3 -2,-0.2 0.936 112.0 49.4 -68.0 -43.2 32.2 17.1 4.7 87 124 X L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.894 107.1 56.8 -60.7 -38.9 31.8 17.6 0.9 88 125 X K H X S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.886 103.6 52.7 -64.9 -33.7 30.8 21.3 1.6 89 126 X L H X S+ 0 0 30 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.859 110.1 48.3 -71.5 -32.8 34.1 21.9 3.5 90 127 X A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.953 112.0 50.2 -65.2 -48.3 36.1 20.5 0.5 91 128 X N H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.848 107.5 53.5 -59.0 -36.9 34.0 22.8 -1.8 92 129 X E H X S+ 0 0 102 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.904 111.1 45.4 -66.6 -42.3 34.6 25.9 0.3 93 130 X Q H X S+ 0 0 26 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.864 112.9 50.8 -67.2 -36.9 38.4 25.3 0.1 94 131 X I H X>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 4,-0.7 0.933 109.8 49.7 -66.5 -46.6 38.3 24.6 -3.6 95 132 X Q H ><5S+ 0 0 132 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.870 112.6 48.4 -56.8 -39.0 36.3 27.8 -4.2 96 133 X K H 3<5S+ 0 0 193 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.704 108.0 54.8 -77.3 -22.5 38.8 29.8 -2.2 97 134 X A H 3<5S- 0 0 43 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.578 139.3 -70.0 -86.9 -10.7 41.8 28.3 -4.1 98 135 X G T X<5 - 0 0 34 -4,-0.7 3,-1.6 -3,-0.6 2,-0.3 0.306 54.1-135.8 139.5 -8.5 40.4 29.4 -7.5 99 136 X G G > - 0 0 123 -34,-0.3 3,-2.4 -2,-0.3 -2,-0.0 -0.863 50.2 -30.8-120.0 147.7 19.7 8.3 6.3 116 153 X G T 3 S- 0 0 63 -2,-0.3 4,-0.2 1,-0.3 -2,-0.1 -0.207 125.1 -8.6 54.6-123.6 16.7 10.4 5.6 117 154 X L T 3> S+ 0 0 113 1,-0.2 4,-1.9 2,-0.1 3,-0.4 0.428 107.0 99.4 -89.5 -2.9 17.3 13.4 3.4 118 155 X V H <> S+ 0 0 10 -3,-2.4 4,-3.0 1,-0.2 5,-0.3 0.873 76.8 57.6 -56.9 -41.2 21.1 13.0 3.5 119 156 X P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.930 107.4 50.0 -53.2 -43.3 21.3 11.3 0.1 120 157 X S H > S+ 0 0 76 -3,-0.4 4,-2.0 -4,-0.2 -2,-0.2 0.928 114.5 43.2 -58.3 -47.2 19.5 14.4 -1.3 121 158 X Y H X S+ 0 0 103 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.888 114.2 50.2 -66.4 -40.3 22.0 16.7 0.3 122 159 X A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.910 111.2 47.3 -67.8 -42.3 25.0 14.6 -0.6 123 160 X E H X S+ 0 0 64 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.899 112.4 50.2 -67.8 -40.4 24.1 14.3 -4.3 124 161 X K H X S+ 0 0 130 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.916 112.6 47.0 -63.6 -42.0 23.5 18.0 -4.5 125 162 X E H X S+ 0 0 19 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.878 110.3 51.4 -71.6 -35.3 26.8 18.9 -2.9 126 163 X A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.859 107.0 54.4 -68.9 -32.3 28.8 16.4 -5.1 127 164 X K H X S+ 0 0 146 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 106.8 52.1 -65.9 -40.1 27.2 18.0 -8.1 128 165 X I H X S+ 0 0 49 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.952 105.3 55.4 -59.2 -44.3 28.5 21.4 -6.8 129 166 X S H ><>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 3,-0.6 0.917 109.1 46.5 -52.6 -48.6 32.0 19.8 -6.5 130 167 X R H ><5S+ 0 0 80 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.873 106.5 58.2 -64.4 -36.4 31.9 18.9 -10.2 131 168 X S H 3<5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.754 103.6 53.9 -63.6 -26.1 30.6 22.4 -11.1 132 169 X L T <<5S- 0 0 19 -4,-1.4 -30,-0.3 -3,-0.6 -1,-0.3 0.350 126.7-104.4 -84.6 -0.6 33.8 23.7 -9.5 133 170 X G T < 5S+ 0 0 39 -3,-1.8 -3,-0.2 1,-0.3 -29,-0.2 0.479 75.6 138.7 91.5 5.4 35.8 21.4 -11.8 134 171 X A < - 0 0 6 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.428 47.8-135.4 -82.4 156.2 36.7 18.9 -9.1 135 172 X S E -e 105 0B 23 -31,-1.8 -29,-3.0 -2,-0.1 2,-0.5 -0.960 17.8-147.8-110.9 133.1 36.6 15.1 -9.6 136 173 X V E -e 106 0B 0 -2,-0.4 18,-2.6 -31,-0.2 19,-0.3 -0.885 15.6-179.1-107.2 125.4 35.0 13.0 -6.9 137 174 X Y E -e 107 0B 3 -31,-3.0 -29,-2.8 -2,-0.5 2,-0.4 -0.890 11.8-152.4-113.5 150.9 36.1 9.5 -6.0 138 175 X C E -ef 108 159B 0 20,-2.6 22,-2.1 -2,-0.3 2,-0.5 -0.994 4.8-164.7-127.7 134.4 34.6 7.2 -3.4 139 176 X V E -ef 109 160B 0 -31,-3.0 -29,-1.9 -2,-0.4 2,-0.3 -0.970 23.8-137.6-118.5 115.2 36.4 4.5 -1.4 140 177 X G E -ef 110 161B 2 20,-2.8 22,-2.8 -2,-0.5 23,-0.5 -0.607 12.9-158.5 -90.1 136.4 33.9 2.1 0.2 141 178 X V - 0 0 0 -31,-1.8 -120,-0.0 -2,-0.3 -1,-0.0 -0.836 56.9 -22.6-112.8 140.3 34.2 0.7 3.8 142 179 X L S S- 0 0 62 -2,-0.3 2,-2.0 1,-0.2 21,-0.1 -0.222 128.3 -14.1 57.6-146.1 32.5 -2.4 5.1 143 180 X D S S- 0 0 114 2,-0.0 -1,-0.2 3,-0.0 -2,-0.1 -0.494 94.2-168.0 -85.8 70.2 29.4 -3.6 3.3 144 181 X F - 0 0 43 -2,-2.0 2,-1.3 1,-0.1 -32,-0.2 -0.124 29.2-106.6 -70.9 156.9 29.1 -0.3 1.5 145 182 X E > - 0 0 102 -34,-2.4 4,-2.2 1,-0.2 5,-0.2 -0.665 34.6-170.3 -83.4 94.3 26.3 1.1 -0.6 146 183 X Q H > S+ 0 0 81 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.906 80.1 46.4 -56.4 -51.0 27.6 0.7 -4.1 147 184 X A H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 110.7 52.6 -64.1 -40.8 24.9 2.7 -5.9 148 185 X Q H > S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.911 111.3 47.7 -60.7 -40.4 24.9 5.5 -3.5 149 186 X L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.873 108.0 55.4 -68.9 -34.9 28.7 5.9 -3.9 150 187 X E H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 107.1 50.6 -63.8 -34.6 28.4 5.7 -7.7 151 188 X R H < S+ 0 0 124 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.842 113.6 43.7 -72.6 -34.5 26.0 8.7 -7.6 152 189 X I H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.886 107.3 67.6 -75.6 -47.1 28.3 10.8 -5.4 153 190 X A S < S- 0 0 2 -4,-2.6 -16,-0.2 -5,-0.2 3,-0.1 -0.221 102.8-101.7 -65.8 167.3 31.5 9.9 -7.4 154 191 X D S S- 0 0 59 -18,-2.6 2,-0.3 1,-0.2 -17,-0.1 0.814 94.6 -29.8 -63.7 -30.8 31.9 11.1 -11.0 155 192 X S S > S- 0 0 45 -19,-0.3 3,-1.9 -6,-0.1 -1,-0.2 -0.962 74.4 -80.7-167.0 176.8 31.0 7.6 -12.2 156 193 X K G > S+ 0 0 138 -2,-0.3 3,-1.2 1,-0.3 -5,-0.1 0.744 120.9 68.1 -63.0 -19.0 31.1 4.0 -11.2 157 194 X E G 3 S+ 0 0 159 1,-0.3 -1,-0.3 -7,-0.1 -7,-0.0 0.491 95.1 55.9 -83.7 3.0 34.8 3.9 -12.4 158 195 X Q G < S+ 0 0 37 -3,-1.9 -20,-2.6 -8,-0.1 2,-0.4 0.067 88.9 94.0-115.1 20.9 35.8 6.2 -9.5 159 196 X V E < +f 138 0B 15 -3,-1.2 -20,-0.2 -22,-0.2 -9,-0.0 -0.965 48.8 165.1-112.2 132.0 34.4 3.9 -6.9 160 197 X F E -f 139 0B 37 -22,-2.1 -20,-2.8 -2,-0.4 2,-0.2 -0.988 37.6-113.0-140.9 147.5 36.6 1.3 -5.2 161 198 X P E -f 140 0B 33 0, 0.0 7,-0.6 0, 0.0 -20,-0.2 -0.577 18.9-140.3 -74.2 142.6 36.5 -0.9 -2.1 162 199 X V S S+ 0 0 29 -22,-2.8 2,-0.4 -2,-0.2 7,-0.1 0.770 86.0 69.3 -71.5 -24.5 39.0 0.0 0.6 163 200 X K S S+ 0 0 113 -23,-0.5 -23,-0.1 -21,-0.1 4,-0.0 -0.754 83.2 29.9 -96.2 137.6 39.6 -3.7 1.2 164 201 X G S > S+ 0 0 49 -2,-0.4 3,-1.9 3,-0.1 4,-0.3 0.634 99.5 7.5 101.3 126.3 41.3 -6.1 -1.1 165 202 X G T 3 S- 0 0 69 1,-0.3 -2,-0.1 2,-0.1 5,-0.1 0.602 103.9 -84.2 58.3 20.5 43.9 -6.5 -3.8 166 203 X F T 3> S+ 0 0 144 -4,-0.1 4,-2.4 1,-0.1 5,-0.4 0.772 87.6 145.1 51.2 30.7 45.3 -2.9 -3.5 167 204 X Q H <> + 0 0 94 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.914 64.2 42.9 -66.0 -47.8 42.5 -2.0 -5.8 168 205 X A H > S+ 0 0 4 -7,-0.6 4,-2.3 -4,-0.3 5,-0.3 0.926 117.7 44.4 -68.1 -45.3 41.7 1.4 -4.4 169 206 X L H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.966 119.3 41.6 -65.1 -51.6 45.3 2.6 -4.0 170 207 X K H X S+ 0 0 130 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.920 116.1 50.4 -59.3 -45.1 46.4 1.3 -7.4 171 208 X G H X S+ 0 0 20 -4,-2.5 4,-1.8 -5,-0.4 -1,-0.2 0.905 115.7 39.9 -66.6 -41.6 43.2 2.6 -9.1 172 209 X I H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.915 116.0 49.4 -74.0 -42.5 43.4 6.1 -7.7 173 210 X I H X S+ 0 0 24 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.957 113.9 47.4 -59.8 -45.7 47.1 6.5 -8.1 174 211 X N H X S+ 0 0 89 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.870 109.6 53.7 -67.6 -33.3 46.9 5.3 -11.7 175 212 X S H X S+ 0 0 32 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.903 111.3 45.7 -62.4 -42.0 44.0 7.6 -12.3 176 213 X I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.924 111.3 51.8 -67.3 -45.1 46.0 10.6 -11.1 177 214 X L H >< S+ 0 0 72 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.859 102.1 60.9 -60.2 -34.8 49.1 9.6 -13.1 178 215 X A H 3< S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.789 107.4 45.3 -62.4 -27.5 47.0 9.4 -16.2 179 216 X Q T << S+ 0 0 45 -3,-1.0 -176,-2.3 -4,-0.7 -1,-0.3 0.440 102.6 94.9 -87.9 -6.3 46.2 13.1 -15.8 180 217 X S B < a 3 0A 29 -3,-1.5 -176,-0.2 -4,-0.4 -178,-0.1 -0.491 360.0 360.0 -96.2 156.7 49.9 13.9 -15.0 181 218 X a 0 0 93 -178,-1.6 -177,-0.1 -2,-0.2 -1,-0.1 0.719 360.0 360.0 -77.1 360.0 52.8 15.1 -17.2