==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 03-SEP-98 1BUD . COMPND 2 MOLECULE: PROTEIN (ACUTOLYSIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: DEINAGKISTRODON ACUTUS; . AUTHOR W.GONG,X.ZHU,S.LIU,M.TENG,L.NIU . 197 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.0 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 0.5 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 0.5 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 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 0 0 1 0 0 0 0 0 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A F 0 0 154 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.6 38.7 6.6 15.8 2 5 A Q - 0 0 79 44,-0.1 2,-0.3 194,-0.0 44,-0.2 -0.408 360.0-165.6 -68.3 138.2 35.6 4.6 17.0 3 6 A R E -a 46 0A 34 42,-1.9 44,-2.8 -2,-0.1 2,-0.5 -0.904 8.9-144.3-123.9 156.0 34.2 5.5 20.4 4 7 A Y E -a 47 0A 84 191,-2.4 2,-0.6 -2,-0.3 44,-0.2 -0.979 7.1-162.6-126.6 127.5 31.7 3.6 22.7 5 8 A M E -a 48 0A 0 42,-3.3 44,-2.8 -2,-0.5 2,-0.7 -0.919 5.1-157.2-114.3 113.9 29.1 5.3 24.9 6 9 A E E -a 49 0A 46 -2,-0.6 84,-3.0 188,-0.2 85,-1.4 -0.792 23.7-171.4 -88.4 113.7 27.5 3.2 27.7 7 10 A I E -ab 50 91A 0 42,-3.0 44,-2.6 -2,-0.7 45,-1.3 -0.806 22.0-161.9-117.5 152.3 24.1 4.8 28.5 8 11 A V E -ab 52 92A 2 83,-1.6 85,-1.9 -2,-0.3 2,-0.4 -0.995 12.5-152.9-125.6 127.1 21.4 4.4 31.2 9 12 A I E -ab 53 93A 1 43,-1.9 45,-2.5 -2,-0.4 2,-0.5 -0.873 7.7-157.9-101.0 136.8 17.9 5.8 30.6 10 13 A V E -ab 54 94A 0 83,-2.8 85,-3.3 -2,-0.4 2,-0.5 -0.974 1.3-161.1-119.3 119.3 15.9 6.8 33.7 11 14 A V E -ab 55 95A 0 43,-2.8 45,-2.5 -2,-0.5 85,-0.2 -0.869 17.2-141.4 -98.5 125.7 12.1 6.9 33.5 12 15 A D > - 0 0 0 83,-2.2 4,-1.5 -2,-0.5 3,-0.2 -0.192 24.0-101.3 -84.2 175.8 10.4 8.9 36.2 13 16 A H H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.864 118.9 58.6 -63.0 -38.5 7.2 8.3 38.2 14 17 A S H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 106.0 52.9 -60.3 -33.4 5.1 10.8 36.2 15 18 A M H > S+ 0 0 0 80,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 106.7 51.2 -64.4 -44.9 6.0 8.7 33.1 16 19 A V H <>S+ 0 0 11 -4,-1.5 5,-3.5 1,-0.2 6,-0.3 0.833 110.5 48.2 -62.6 -36.2 4.8 5.6 34.9 17 20 A K H ><5S+ 0 0 143 -4,-2.1 3,-1.5 3,-0.2 -1,-0.2 0.876 107.5 57.2 -73.3 -33.0 1.4 7.3 35.7 18 21 A K H 3<5S+ 0 0 96 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.847 110.2 42.7 -64.5 -35.5 1.2 8.4 32.1 19 22 A Y T ><5S- 0 0 43 -4,-1.6 3,-2.0 -5,-0.1 -1,-0.3 0.131 118.2-111.8 -97.6 19.4 1.4 4.8 30.8 20 23 A N T < 5 - 0 0 153 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.872 69.1 -59.9 52.8 42.9 -0.9 3.6 33.5 21 24 A G T 3 - 0 0 83 -3,-2.0 4,-1.9 -6,-0.3 3,-0.2 -0.583 21.8-177.4 -80.7 95.8 2.4 -0.5 32.2 23 26 A S H > S+ 0 0 44 -2,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.765 79.9 50.2 -61.4 -36.2 6.1 -1.4 32.5 24 27 A D H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 108.0 53.0 -75.5 -30.7 6.3 -3.3 29.2 25 28 A S H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.900 109.6 49.6 -68.3 -40.1 4.7 -0.5 27.3 26 29 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.911 109.6 51.3 -65.7 -40.0 7.3 1.9 28.7 27 30 A K H X S+ 0 0 66 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.880 108.7 50.7 -65.3 -38.3 10.1 -0.5 27.7 28 31 A A H X S+ 0 0 59 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.901 110.3 51.0 -64.9 -39.0 8.9 -0.8 24.1 29 32 A W H X S+ 0 0 42 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.932 114.3 41.3 -62.8 -48.9 8.7 3.0 23.9 30 33 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.879 111.4 57.0 -69.9 -38.7 12.3 3.6 25.1 31 34 A Y H X S+ 0 0 122 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.906 105.0 50.8 -60.8 -41.5 13.7 0.6 23.1 32 35 A E H X S+ 0 0 104 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.905 109.0 52.0 -65.4 -37.2 12.4 2.1 19.8 33 36 A M H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.907 109.4 49.3 -64.4 -42.2 14.1 5.5 20.6 34 37 A I H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.937 107.4 54.8 -64.4 -41.2 17.4 3.7 21.3 35 38 A N H X S+ 0 0 106 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.911 111.5 45.7 -58.0 -41.2 17.1 1.9 18.0 36 39 A T H >X S+ 0 0 20 -4,-1.9 4,-1.6 1,-0.2 3,-0.5 0.967 114.7 44.3 -65.8 -55.2 16.7 5.2 16.2 37 40 A I H 3X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.799 104.1 65.1 -63.7 -30.3 19.5 7.1 18.0 38 41 A T H 3X S+ 0 0 43 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.926 105.2 46.0 -57.5 -42.7 21.9 4.2 17.6 39 42 A E H <>S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.2 5,-1.8 0.795 99.0 69.3 -76.8 -26.4 25.3 8.1 16.3 42 45 A S H ><5S+ 0 0 52 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.899 93.9 60.0 -58.9 -32.3 26.8 5.4 14.2 43 46 A Y T 3<5S+ 0 0 120 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.431 103.6 50.8 -72.8 -3.3 27.4 8.0 11.5 44 47 A L T < 5S- 0 0 7 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.240 121.9-109.5-112.0 4.8 29.5 10.0 13.9 45 48 A K T < 5S+ 0 0 85 -3,-1.9 -42,-1.9 1,-0.2 2,-0.5 0.860 79.9 126.5 65.2 37.8 31.6 6.8 14.7 46 49 A I E < -a 3 0A 1 -5,-1.8 2,-0.4 -44,-0.2 -2,-0.2 -0.995 50.2-148.3-127.5 121.1 30.1 6.5 18.2 47 50 A D E -a 4 0A 68 -44,-2.8 -42,-3.3 -2,-0.5 2,-0.5 -0.779 11.5-144.8 -90.3 129.5 28.5 3.2 19.2 48 51 A I E -a 5 0A 10 -2,-0.4 2,-0.5 -44,-0.2 -42,-0.2 -0.871 14.6-171.0 -97.6 128.9 25.6 3.5 21.6 49 52 A S E -a 6 0A 47 -44,-2.8 -42,-3.0 -2,-0.5 2,-1.1 -0.971 20.6-138.6-121.1 119.0 25.3 0.7 24.2 50 53 A L E +a 7 0A 64 -2,-0.5 -42,-0.2 1,-0.2 3,-0.1 -0.646 26.4 175.0 -76.5 102.3 22.2 0.5 26.4 51 54 A S E - 0 0 44 -44,-2.6 2,-0.3 -2,-1.1 -43,-0.2 0.842 61.3 -19.6 -75.2 -37.1 23.7 -0.4 29.8 52 55 A G E -a 8 0A 21 -45,-1.3 -43,-1.9 -3,-0.2 2,-0.4 -0.988 45.5-143.1-167.4 161.2 20.5 -0.1 31.8 53 56 A L E -a 9 0A 36 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.933 21.3-165.0-134.9 108.7 16.9 1.2 32.0 54 57 A E E -a 10 0A 36 -45,-2.5 -43,-2.8 -2,-0.4 2,-0.5 -0.853 0.6-164.8-102.5 125.2 15.7 2.3 35.4 55 58 A I E -a 11 0A 27 -2,-0.5 2,-1.6 -45,-0.2 3,-0.3 -0.920 15.5-145.1-112.2 123.5 12.0 2.8 36.0 56 59 A W + 0 0 8 -45,-2.5 -40,-0.2 -2,-0.5 -41,-0.1 -0.527 39.7 152.6 -86.0 70.0 10.9 4.7 39.1 57 60 A S + 0 0 66 -2,-1.6 -1,-0.2 1,-0.1 3,-0.1 0.826 69.6 41.6 -65.8 -44.0 7.7 2.7 39.7 58 61 A G S S- 0 0 67 1,-0.3 2,-0.3 -3,-0.3 -1,-0.1 0.986 128.8 -39.1 -70.2 -65.4 7.4 3.2 43.5 59 62 A K - 0 0 153 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.962 66.4 -81.7-157.8 163.6 8.3 6.9 43.8 60 63 A D - 0 0 50 -2,-0.3 -48,-0.1 1,-0.1 3,-0.0 -0.483 27.8-148.9 -68.5 145.9 10.7 9.5 42.3 61 64 A L S S+ 0 0 78 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.431 82.5 30.8 -94.9 -2.6 14.2 9.4 43.8 62 65 A I S S- 0 0 19 16,-0.0 2,-0.8 2,-0.0 9,-0.1 -0.913 97.2 -91.9-143.8 166.3 14.6 13.2 43.3 63 66 A D - 0 0 129 -2,-0.3 2,-0.7 7,-0.1 11,-0.1 -0.777 35.8-153.4 -85.7 113.3 12.3 16.2 43.2 64 67 A V - 0 0 32 -2,-0.8 2,-0.2 10,-0.1 4,-0.1 -0.818 21.4-172.1 -89.0 115.5 11.2 16.7 39.7 65 68 A E - 0 0 77 -2,-0.7 6,-0.2 2,-0.4 33,-0.0 -0.714 40.0-115.0-107.0 165.4 10.3 20.4 39.4 66 69 A A S S+ 0 0 47 -2,-0.2 35,-2.5 34,-0.1 2,-0.8 0.729 99.6 88.5 -64.4 -26.2 8.7 22.5 36.7 67 70 A S > - 0 0 35 33,-0.2 4,-1.9 1,-0.2 -2,-0.4 -0.708 67.3-161.2 -77.8 111.2 12.1 24.2 36.5 68 71 A A H > S+ 0 0 9 -2,-0.8 4,-2.3 33,-0.3 5,-0.2 0.881 89.5 56.6 -59.4 -38.8 14.2 22.3 34.0 69 72 A G H > S+ 0 0 38 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.863 108.3 43.7 -62.5 -38.8 17.3 23.8 35.5 70 73 A N H > S+ 0 0 82 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.865 113.1 53.5 -75.7 -34.7 16.7 22.6 39.1 71 74 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.917 107.5 49.6 -65.5 -44.1 15.6 19.1 37.8 72 75 A L H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.918 112.4 48.4 -60.3 -47.0 18.9 18.6 35.8 73 76 A K H X S+ 0 0 114 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.961 112.2 47.8 -61.9 -47.9 21.0 19.6 38.7 74 77 A S H X S+ 0 0 37 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.896 113.3 48.5 -57.8 -44.6 19.1 17.3 41.1 75 78 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.914 109.6 51.4 -63.1 -45.6 19.3 14.4 38.7 76 79 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.922 111.9 48.1 -59.7 -41.1 23.1 14.9 38.1 77 80 A E H X S+ 0 0 82 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.849 111.1 48.6 -69.4 -33.8 23.7 14.8 41.8 78 81 A W H X>S+ 0 0 16 -4,-2.0 4,-2.7 2,-0.2 5,-0.8 0.820 107.9 57.2 -73.1 -33.5 21.6 11.7 42.4 79 82 A R H <>S+ 0 0 6 -4,-2.4 5,-2.5 1,-0.2 6,-0.3 0.974 111.1 41.8 -60.0 -50.6 23.5 10.1 39.5 80 83 A A H <5S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.799 119.7 43.9 -67.6 -30.3 26.8 10.7 41.3 81 84 A K H <5S+ 0 0 160 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.872 134.8 0.4 -83.7 -37.0 25.5 9.7 44.7 82 85 A D T ><5S+ 0 0 46 -4,-2.7 3,-2.1 -5,-0.1 4,-0.4 0.754 120.8 50.9-115.2 -76.6 23.6 6.6 43.8 83 86 A L G >> + 0 0 10 32,-1.7 3,-1.8 -3,-0.3 6,-0.2 0.124 21.6 158.2-137.0 22.8 30.6 17.1 30.2 113 116 A M T 3 S+ 0 0 12 31,-1.1 -22,-0.1 1,-0.2 81,-0.1 -0.217 73.4 9.2 -55.9 133.2 31.2 13.5 29.0 114 117 A a T 3 S+ 0 0 36 -24,-1.0 -1,-0.2 1,-0.2 -23,-0.1 0.172 88.2 134.3 80.6 -14.8 32.4 11.3 31.9 115 118 A N <> - 0 0 47 -3,-1.8 4,-2.3 1,-0.1 3,-0.4 -0.517 56.4-136.5 -69.0 123.0 31.8 13.8 34.7 116 119 A P T 4 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.902 99.5 24.7 -45.5 -53.6 30.0 12.0 37.6 117 120 A K T 4 S+ 0 0 87 -38,-0.1 -38,-0.1 1,-0.1 -39,-0.1 0.490 129.2 43.5 -95.5 -1.8 27.4 14.7 38.2 118 121 A R T 4 S+ 0 0 99 -3,-0.4 2,-2.2 -6,-0.2 -9,-0.4 0.587 78.4 91.2-120.2 -10.6 27.4 16.4 34.8 119 122 A S S < S+ 0 0 0 -4,-2.3 -27,-1.8 -43,-0.1 2,-0.3 -0.466 77.9 98.5 -82.5 63.3 27.3 13.7 32.0 120 123 A V E -c 92 0A 0 -2,-2.2 -11,-1.3 -29,-0.2 2,-0.3 -0.982 50.0-168.0-147.5 164.2 23.5 13.9 32.1 121 124 A G E -cD 93 108A 0 -29,-1.4 -27,-2.3 -2,-0.3 2,-0.4 -0.940 14.4-136.7-149.9 166.8 20.5 15.4 30.3 122 125 A V E -cD 94 107A 0 -15,-3.1 -15,-2.7 -2,-0.3 2,-0.4 -0.990 20.3-179.0-132.5 131.5 16.8 15.8 30.8 123 126 A I E -cD 95 106A 0 -29,-2.6 -27,-2.2 -2,-0.4 2,-0.4 -0.998 22.4-134.3-136.6 136.1 14.0 15.3 28.2 124 127 A Q E -c 96 0A 21 -19,-3.2 2,-2.9 -2,-0.4 -27,-0.2 -0.733 23.5-126.6 -86.4 133.3 10.3 15.7 28.2 125 128 A D + 0 0 6 -29,-2.4 -1,-0.1 -2,-0.4 8,-0.1 -0.480 51.9 163.0 -73.5 66.3 8.3 12.8 26.6 126 129 A H + 0 0 51 -2,-2.9 2,-0.3 -21,-0.2 -1,-0.2 0.489 41.1 41.1 -75.2 -7.2 6.7 15.6 24.5 127 130 A S - 0 0 26 -3,-0.1 6,-0.1 2,-0.1 0, 0.0 -0.946 60.0-136.6-144.9 161.2 5.1 13.8 21.6 128 131 A S S S+ 0 0 112 -2,-0.3 2,-0.8 4,-0.0 3,-0.1 0.544 89.9 87.1 -85.6 -15.7 3.1 10.8 20.6 129 132 A V S >> S- 0 0 62 1,-0.2 4,-1.2 2,-0.0 3,-0.8 -0.818 72.2-153.2 -88.5 112.2 5.4 10.4 17.6 130 133 A N H 3> S+ 0 0 25 -2,-0.8 4,-2.7 1,-0.2 3,-0.3 0.887 89.3 62.0 -53.0 -41.1 8.3 8.3 18.9 131 134 A R H 3> S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 100.6 52.0 -55.8 -42.0 10.8 9.8 16.3 132 135 A L H <> S+ 0 0 19 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.889 112.1 44.5 -64.7 -42.4 10.4 13.4 17.7 133 136 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 3,-0.2 0.940 111.6 53.3 -69.2 -43.1 11.1 12.4 21.3 134 137 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.859 106.0 55.3 -58.6 -34.6 14.1 10.2 20.2 135 138 A I H X S+ 0 0 6 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.905 106.6 49.3 -65.0 -40.1 15.5 13.2 18.3 136 139 A T H X S+ 0 0 8 -4,-1.5 4,-2.7 -3,-0.2 5,-0.2 0.902 108.8 53.4 -66.4 -38.9 15.4 15.3 21.5 137 140 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.953 111.6 44.9 -60.0 -49.1 17.2 12.6 23.4 138 141 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.864 111.4 55.9 -62.5 -36.7 19.9 12.5 20.8 139 142 A H H X S+ 0 0 23 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.929 109.7 42.9 -63.0 -47.5 20.0 16.3 20.9 140 143 A E H X S+ 0 0 13 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.870 112.1 53.5 -69.1 -38.1 20.7 16.6 24.6 141 144 A M H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.2 3,-0.3 0.890 106.4 54.8 -61.2 -38.1 23.2 13.8 24.5 142 145 A A H <>S+ 0 0 2 -4,-1.9 5,-2.1 1,-0.2 3,-0.3 0.852 100.8 58.0 -64.8 -34.4 25.0 15.7 21.8 143 146 A H H ><5S+ 0 0 23 -4,-1.4 -32,-2.3 1,-0.2 3,-1.5 0.888 102.4 54.7 -63.1 -36.2 25.2 18.8 24.0 144 147 A N H 3<5S+ 0 0 0 -4,-1.3 -32,-1.7 -3,-0.3 -31,-1.1 0.805 105.0 54.6 -62.9 -34.0 27.1 16.6 26.5 145 148 A L T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.3 41,-0.2 0.147 126.1-102.9 -84.9 15.5 29.6 15.8 23.7 146 149 A G T < 5S+ 0 0 22 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.498 71.1 145.0 80.2 7.4 30.1 19.6 23.2 147 150 A V < - 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