==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-OCT-08 3ERV . COMPND 2 MOLECULE: PUTATIVE C39-LIKE PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR J.B.BONANNO,M.RUTTER,K.T.BAIN,M.IIZUKA,S.OZYURT,S.WASSERMAN, . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 19.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 . 1 0.5 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 . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 51 A D 0 0 155 0, 0.0 2,-0.4 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0 146.7 61.3 68.2 -15.7 2 52 A E - 0 0 62 156,-0.1 2,-0.6 1,-0.1 155,-0.0 -0.329 360.0-173.4 -65.2 108.1 62.6 65.8 -13.0 3 53 A K - 0 0 124 -2,-0.4 2,-0.4 155,-0.1 155,-0.2 -0.909 7.1-176.4 -98.0 118.8 61.3 62.2 -13.4 4 54 A V E +A 157 0A 26 153,-2.6 153,-2.8 -2,-0.6 2,-0.3 -0.951 8.1 165.7-117.5 132.3 62.2 59.9 -10.5 5 55 A I E -A 156 0A 61 -2,-0.4 2,-1.3 151,-0.3 151,-0.3 -0.953 30.5-155.4-146.9 132.1 61.5 56.2 -10.2 6 56 A L > + 0 0 21 149,-3.5 3,-1.6 -2,-0.3 150,-0.1 -0.677 29.0 171.0 -97.2 76.5 62.8 53.4 -7.9 7 57 A S T 3 + 0 0 71 -2,-1.3 -1,-0.2 1,-0.3 149,-0.1 0.586 64.1 62.9 -76.9 -6.9 62.0 50.8 -10.4 8 58 A N T 3 + 0 0 133 -3,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.318 64.4 126.0-103.3 12.0 63.8 48.0 -8.5 9 59 A V S < S- 0 0 2 -3,-1.6 21,-0.1 1,-0.1 20,-0.1 -0.531 75.6-102.9 -58.0 127.4 61.5 48.1 -5.5 10 60 A P - 0 0 38 0, 0.0 2,-0.5 0, 0.0 23,-0.1 -0.162 31.7-129.7 -59.8 152.3 60.4 44.4 -5.3 11 61 A F + 0 0 65 -3,-0.1 2,-0.3 18,-0.0 161,-0.1 -0.931 31.3 168.9-112.3 124.9 56.9 43.6 -6.5 12 62 A I - 0 0 30 -2,-0.5 2,-0.4 13,-0.1 17,-0.1 -0.982 22.0-146.9-131.0 145.9 54.5 41.5 -4.3 13 63 A Q - 0 0 38 -2,-0.3 155,-0.2 2,-0.1 5,-0.1 -0.897 11.1-143.8-107.3 140.7 50.8 40.8 -4.6 14 64 A Q > + 0 0 6 153,-2.3 4,-2.2 -2,-0.4 154,-0.1 0.880 63.6 113.7 -69.4 -38.1 48.6 40.4 -1.5 15 65 A L T 4 + 0 0 77 152,-0.6 -2,-0.1 1,-0.3 4,-0.0 -0.513 61.4 20.4 -84.2 154.0 46.4 37.7 -3.1 16 66 A P T 4 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.965 129.7 37.2 -85.5 -18.8 45.7 34.9 -3.0 17 67 A E T 4 S+ 0 0 91 1,-0.2 2,-0.6 -3,-0.1 -2,-0.2 0.784 117.5 43.1 -62.8 -32.2 46.9 34.5 0.7 18 68 A L >< - 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 -0.829 54.0-179.1-126.9 92.3 45.8 37.9 2.2 19 69 A D T 3 S+ 0 0 34 51,-2.0 51,-0.2 -2,-0.6 -1,-0.2 0.877 96.7 28.5 -58.6 -36.0 42.4 39.1 1.3 20 70 A R T 3 S+ 0 0 36 49,-2.2 -1,-0.3 1,-0.1 3,-0.3 -0.211 89.8 115.1-116.3 44.5 43.0 42.2 3.4 21 71 A G <> + 0 0 0 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.166 28.9 113.9 -99.9 20.6 46.8 42.3 3.1 22 72 A C H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.910 82.0 44.7 -60.5 -45.3 47.5 45.6 1.3 23 73 A E H > S+ 0 0 1 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.950 118.2 40.9 -63.4 -48.5 49.2 47.3 4.2 24 74 A V H > S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.826 115.1 53.0 -70.1 -29.1 51.4 44.5 5.3 25 75 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.910 111.1 45.4 -72.4 -42.3 52.2 43.6 1.6 26 76 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.875 113.1 51.7 -61.2 -43.2 53.3 47.2 0.9 27 77 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.915 106.3 54.6 -60.0 -42.7 55.3 47.2 4.1 28 78 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.948 107.7 48.5 -57.6 -47.8 56.9 43.9 3.0 29 79 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.896 113.5 48.2 -55.2 -45.0 58.1 45.4 -0.4 30 80 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.946 112.7 47.1 -62.8 -50.8 59.5 48.5 1.6 31 81 A L H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-0.2 0.896 111.4 51.4 -59.2 -47.1 61.3 46.3 4.1 32 82 A Q H ><5S+ 0 0 62 -4,-2.9 3,-1.8 3,-0.2 -1,-0.2 0.929 110.2 48.6 -52.1 -51.9 62.8 44.0 1.4 33 83 A Y H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 106.4 58.0 -61.1 -34.7 64.1 47.0 -0.5 34 84 A A T 3<5S- 0 0 28 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.530 129.4 -97.7 -70.7 -5.2 65.6 48.3 2.7 35 85 A G T < 5S+ 0 0 62 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.484 79.1 134.6 105.5 2.9 67.6 45.0 3.0 36 86 A I < - 0 0 40 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.3 -0.724 52.9-134.8 -91.5 133.9 65.4 43.0 5.4 37 87 A T + 0 0 146 -2,-0.4 2,-0.3 2,-0.0 -5,-0.0 -0.758 56.7 124.7 -78.4 112.5 64.5 39.3 4.7 38 88 A V - 0 0 12 -2,-0.8 2,-0.3 -10,-0.1 -6,-0.1 -0.980 42.9-147.8-164.2 152.6 60.8 39.2 5.4 39 89 A D > - 0 0 80 -2,-0.3 4,-1.7 1,-0.0 3,-0.5 -0.886 33.0-106.3-125.5 166.7 57.6 38.2 3.7 40 90 A K H > S+ 0 0 22 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.742 114.6 59.1 -59.3 -30.0 54.0 39.4 3.8 41 91 A M H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.868 105.7 47.5 -70.8 -38.5 52.8 36.3 5.8 42 92 A K H > S+ 0 0 92 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.931 114.2 47.4 -66.7 -40.9 55.2 37.0 8.7 43 93 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.871 107.9 56.6 -67.7 -36.0 54.1 40.6 8.7 44 94 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 111.1 43.1 -64.0 -34.1 50.4 39.6 8.6 45 95 A N H < S+ 0 0 109 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.843 116.5 48.3 -77.7 -32.0 50.9 37.5 11.7 46 96 A E H < S+ 0 0 59 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.711 81.3 105.3 -83.9 -24.7 52.9 40.2 13.5 47 97 A I S < S- 0 0 3 -4,-2.1 2,-0.1 -5,-0.1 37,-0.1 -0.325 83.8-105.3 -57.6 135.9 50.8 43.2 12.9 48 98 A K - 0 0 126 35,-0.2 17,-3.8 15,-0.1 2,-0.4 -0.422 43.9-153.9 -62.8 137.7 49.0 44.2 16.1 49 99 A K E -g 65 0B 80 15,-0.3 2,-0.3 -2,-0.1 17,-0.2 -0.909 16.3-167.9-118.8 150.0 45.3 43.3 15.8 50 100 A V E -g 66 0B 22 15,-3.0 17,-2.6 -2,-0.4 9,-0.1 -0.954 36.1 -96.8-127.5 151.3 42.0 44.5 17.3 51 101 A D - 0 0 107 -2,-0.3 8,-0.2 15,-0.2 3,-0.2 -0.371 25.1-130.3 -62.0 144.3 38.6 42.9 17.2 52 102 A F S S- 0 0 48 1,-0.3 7,-1.8 23,-0.2 2,-0.3 0.913 93.2 -1.5 -56.8 -46.0 36.2 44.1 14.5 53 103 A M E S+H 58 0C 92 5,-0.3 2,-0.3 -3,-0.0 -1,-0.3 -0.981 71.3 168.4-149.3 133.5 33.5 44.5 17.1 54 104 A N E > S-H 57 0C 101 3,-2.6 3,-2.0 -2,-0.3 -3,-0.0 -0.936 71.3 -7.0-150.5 124.6 33.6 43.8 20.8 55 105 A D T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.884 129.2 -57.1 62.0 34.0 31.1 44.8 23.6 56 106 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.419 116.2 115.4 74.8 -1.6 29.3 46.9 21.0 57 107 A V E < -H 54 0C 54 -3,-2.0 -3,-2.6 79,-0.0 -1,-0.2 -0.863 61.6-131.9-102.8 131.5 32.4 48.9 20.3 58 108 A R E -H 53 0C 85 79,-1.3 81,-0.4 -2,-0.4 -5,-0.3 -0.517 30.5-102.6 -72.5 147.3 34.2 48.9 16.8 59 109 A G - 0 0 9 -7,-1.8 7,-0.1 -8,-0.2 -1,-0.1 -0.355 28.9-128.1 -69.1 148.8 37.9 48.4 16.5 60 110 A N >> - 0 0 10 1,-0.1 3,-2.0 5,-0.1 4,-1.9 -0.871 3.0-151.0-100.3 122.7 40.2 51.4 15.9 61 111 A P T 34 S+ 0 0 0 0, 0.0 19,-3.0 0, 0.0 -1,-0.1 0.656 99.6 64.2 -71.0 -11.4 42.6 51.0 12.9 62 112 A N T 34 S+ 0 0 76 17,-0.2 3,-0.1 1,-0.1 17,-0.1 0.615 106.2 44.3 -76.1 -15.3 44.8 53.4 14.9 63 113 A E T <4 S- 0 0 85 -3,-2.0 2,-0.3 1,-0.4 -1,-0.1 0.841 129.9 -43.6 -96.4 -38.8 45.1 50.7 17.6 64 114 A G S < S- 0 0 0 -4,-1.9 -1,-0.4 14,-0.1 2,-0.3 -0.969 80.5 -50.2-168.7 180.0 45.7 47.7 15.4 65 115 A F E -g 49 0B 0 -17,-3.8 -15,-3.0 -2,-0.3 2,-0.8 -0.516 63.0-128.0 -62.5 128.8 44.6 45.9 12.2 66 116 A V E -g 50 0B 0 12,-2.6 11,-2.9 -2,-0.3 2,-0.2 -0.703 57.1 -39.7 -92.8 111.0 40.8 45.7 12.6 67 117 A G B S+I 76 0D 17 -17,-2.6 2,-0.6 -2,-0.8 9,-0.3 -0.540 109.4 8.0 82.7-142.9 39.3 42.3 12.1 68 118 A N + 0 0 45 7,-2.0 6,-0.1 -2,-0.2 -2,-0.1 -0.685 42.9 178.1 -97.3 109.2 40.4 39.6 9.7 69 119 A I S S+ 0 0 2 -2,-0.6 -49,-2.2 -25,-0.1 -1,-0.2 0.744 81.6 48.8 -72.3 -22.9 43.5 40.1 7.6 70 120 A Y S S+ 0 0 93 -51,-0.2 -51,-2.0 -52,-0.2 2,-0.4 0.882 108.4 32.9 -91.0 -46.5 43.2 36.7 5.9 71 121 A T > - 0 0 44 -53,-0.2 3,-1.8 -52,-0.1 -1,-0.2 -0.964 47.5-152.1-132.5 131.6 39.7 36.2 4.6 72 122 A F T 3 S+ 0 0 132 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.711 94.7 80.2 -60.3 -21.3 36.8 38.3 3.1 73 123 A S T 3 S+ 0 0 92 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.621 95.4 48.5 -69.2 -5.9 34.6 35.6 4.6 74 124 A E S < S- 0 0 110 -3,-1.8 2,-0.1 -6,-0.1 -6,-0.0 -0.912 102.3 -90.9-124.8 157.7 35.0 37.4 8.0 75 125 A S + 0 0 68 -2,-0.3 -7,-2.0 -8,-0.1 2,-0.3 -0.387 59.2 138.5 -63.3 145.6 34.6 41.1 8.8 76 126 A G B -I 67 0D 16 -9,-0.3 -9,-0.3 -4,-0.1 -7,-0.1 -0.969 28.9-172.3-175.1 166.7 37.7 43.3 8.7 77 127 A Y - 0 0 17 -11,-2.9 2,-0.3 -2,-0.3 -10,-0.1 0.435 40.5 -95.7-130.5 -80.2 39.0 46.6 7.6 78 128 A G - 0 0 0 -14,-0.2 -12,-2.6 -56,-0.1 2,-0.3 -0.922 31.5 -92.6 174.8-162.3 42.7 47.6 7.6 79 129 A V - 0 0 0 -2,-0.3 -17,-0.2 -14,-0.2 -14,-0.1 -0.983 28.8-136.0-145.1 145.6 45.3 49.3 9.8 80 130 A Y > - 0 0 10 -19,-3.0 4,-1.6 -2,-0.3 5,-0.2 -0.275 40.5 -79.1-100.0-172.3 46.5 52.8 9.9 81 131 A H H > S+ 0 0 47 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.806 114.8 61.9 -63.2 -34.6 49.9 54.4 10.2 82 132 A G H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.979 112.5 32.2 -58.2 -63.5 50.6 54.0 14.0 83 133 A P H > S+ 0 0 10 0, 0.0 4,-1.9 0, 0.0 -35,-0.2 0.875 119.0 55.9 -61.6 -37.3 50.5 50.2 14.3 84 134 A L H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.924 107.7 48.8 -64.6 -41.4 51.9 49.8 10.9 85 135 A F H X S+ 0 0 35 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.890 106.8 55.8 -60.4 -42.6 54.9 52.0 12.0 86 136 A Q H X S+ 0 0 122 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.895 107.4 49.6 -58.7 -37.1 55.4 49.9 15.1 87 137 A L H X S+ 0 0 11 -4,-1.9 4,-0.9 1,-0.2 3,-0.5 0.908 108.5 52.5 -69.4 -40.3 55.7 46.9 12.9 88 138 A A H >X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-0.6 0.881 106.2 55.0 -60.1 -41.0 58.2 48.6 10.6 89 139 A K H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.763 94.7 66.9 -63.3 -29.1 60.3 49.5 13.7 90 140 A K H 3< S+ 0 0 117 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.903 115.7 29.2 -55.4 -39.5 60.5 45.9 14.8 91 141 A Y H << S+ 0 0 31 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.728 135.2 29.3 -97.6 -26.3 62.6 45.3 11.6 92 142 A L >X + 0 0 13 -4,-2.1 4,-2.5 -5,-0.1 3,-1.0 -0.541 67.8 165.5-129.7 64.1 64.3 48.8 11.3 93 143 A P T 34 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.826 82.2 32.2 -57.0 -28.8 64.5 50.1 14.9 94 144 A N T 34 S+ 0 0 101 -3,-0.1 106,-2.1 1,-0.1 -5,-0.1 0.481 127.1 36.2-108.5 -1.6 66.9 52.8 14.0 95 145 A K T <4 S+ 0 0 76 -3,-1.0 101,-1.9 104,-0.2 103,-0.1 0.601 82.0 105.0-120.5 -24.4 65.8 53.7 10.4 96 146 A A E < -B 195 0A 9 -4,-2.5 2,-0.3 99,-0.3 99,-0.3 -0.382 48.5-173.0 -65.3 139.0 62.0 53.4 10.2 97 147 A V E -B 194 0A 40 97,-2.5 97,-2.9 -2,-0.0 2,-0.7 -0.991 23.4-139.1-135.1 143.5 60.2 56.8 10.1 98 148 A D E +B 193 0A 47 -2,-0.3 95,-0.2 95,-0.2 97,-0.0 -0.905 18.3 179.7-100.3 111.6 56.6 57.9 10.3 99 149 A L > + 0 0 22 93,-1.9 3,-1.8 -2,-0.7 94,-0.2 0.167 28.1 144.7 -97.6 20.0 56.0 60.7 7.8 100 150 A T T 3 + 0 0 36 92,-0.5 91,-0.2 1,-0.2 90,-0.1 -0.348 69.6 16.2 -63.1 132.7 52.3 61.0 8.6 101 151 A G T 3 S+ 0 0 59 89,-1.9 -1,-0.2 1,-0.3 90,-0.1 0.298 96.7 117.4 89.9 -13.4 51.1 64.7 8.5 102 152 A K S < S- 0 0 106 -3,-1.8 -1,-0.3 88,-0.4 2,-0.2 -0.291 74.0 -88.3 -77.2 178.0 54.2 65.9 6.6 103 153 A S >> - 0 0 56 1,-0.1 3,-1.3 -3,-0.1 4,-1.1 -0.499 29.7-110.1 -89.9 157.8 53.6 67.4 3.1 104 154 A I H 3> S+ 0 0 14 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.843 117.4 63.5 -49.2 -33.7 53.6 65.5 -0.2 105 155 A E H 3> S+ 0 0 108 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.848 96.5 55.7 -66.8 -36.4 56.9 67.2 -1.0 106 156 A E H <> S+ 0 0 74 -3,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.872 106.4 52.0 -54.7 -43.0 58.6 65.5 1.9 107 157 A L H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.921 108.7 49.2 -65.1 -42.5 57.4 62.2 0.4 108 158 A Y H X S+ 0 0 11 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.856 108.0 54.7 -64.3 -35.7 58.9 63.0 -3.0 109 159 A K H X S+ 0 0 126 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.923 107.3 51.3 -61.0 -45.2 62.2 64.0 -1.3 110 160 A S H <>S+ 0 0 16 -4,-2.1 5,-2.8 2,-0.2 4,-0.5 0.942 112.6 45.0 -55.4 -50.8 62.2 60.6 0.3 111 161 A V H ><5S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.922 113.1 49.6 -62.0 -44.2 61.7 58.9 -3.0 112 162 A K H 3<5S+ 0 0 131 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.909 107.1 55.6 -64.9 -37.0 64.3 61.1 -4.7 113 163 A A T 3<5S- 0 0 55 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.610 129.1-100.8 -71.6 -5.6 66.7 60.3 -1.8 114 164 A G T < 5S+ 0 0 15 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.539 87.4 116.5 105.2 5.3 66.1 56.6 -2.7 115 165 A Q < - 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