==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-12 4HBT . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.D.DOCQUIER,M.BENVENUTI,J.M.BRUNEAU,G.M.ROSSOLINI,C.MIOSSEC . 262 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 71.0 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 . 40 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 0 0 0 3 4 0 1 0 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 . 0 1 1 0 1 0 1 1 1 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 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 27 A T > 0 0 128 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 156.2 6.2 -32.2 5.8 2 28 A A H > + 0 0 81 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.813 360.0 64.2 -63.2 -28.2 9.1 -30.8 3.8 3 29 A D H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.969 103.7 40.9 -56.6 -54.0 6.2 -30.6 1.3 4 30 A V H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.918 115.7 52.3 -63.9 -38.7 4.4 -28.1 3.4 5 31 A Q H X S+ 0 0 74 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.928 110.2 47.6 -64.1 -44.1 7.6 -26.2 4.2 6 32 A Q H X S+ 0 0 117 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.916 111.2 51.0 -62.7 -41.6 8.5 -26.0 0.6 7 33 A K H X S+ 0 0 75 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.895 111.4 47.8 -63.6 -41.4 5.0 -24.7 -0.3 8 34 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.897 111.0 51.3 -66.0 -41.0 5.2 -22.0 2.5 9 35 A A H X S+ 0 0 29 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.901 111.1 48.1 -60.8 -38.8 8.7 -21.0 1.3 10 36 A E H X S+ 0 0 71 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.916 111.0 50.0 -70.6 -39.5 7.4 -20.6 -2.3 11 37 A L H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.939 111.5 49.6 -58.9 -47.9 4.4 -18.6 -1.1 12 38 A E H X>S+ 0 0 17 -4,-2.8 4,-1.0 1,-0.2 5,-0.6 0.929 111.7 48.2 -57.6 -48.1 6.7 -16.3 0.9 13 39 A R H ><5S+ 0 0 170 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.940 112.3 48.1 -58.6 -50.1 9.0 -15.9 -2.1 14 40 A Q H 3<5S+ 0 0 161 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.865 109.9 53.1 -59.6 -36.0 6.2 -15.1 -4.5 15 41 A S H 3<5S- 0 0 9 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.681 98.8-137.4 -70.9 -25.3 4.7 -12.6 -2.0 16 42 A G T <<5S+ 0 0 51 -4,-1.0 -3,-0.1 -3,-0.9 -4,-0.1 0.356 70.5 84.0 79.6 -3.3 8.0 -10.7 -1.7 17 43 A G S >> -AB 231 30A 16 5,-2.7 4,-1.4 -2,-0.5 5,-1.0 -0.906 4.3-166.0-106.1 108.1 -3.6 -29.3 15.6 26 52 A T T 345S+ 0 0 46 204,-1.9 -1,-0.1 -2,-0.7 205,-0.1 0.603 78.8 76.7 -73.5 -8.8 -5.3 -30.4 18.8 27 53 A A T 345S+ 0 0 70 202,-0.3 -1,-0.2 203,-0.3 204,-0.1 0.932 122.1 2.5 -59.5 -46.6 -6.2 -33.8 17.2 28 54 A D T <45S- 0 0 103 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.287 99.5-111.1-129.6 8.0 -2.6 -35.1 17.6 29 55 A N T <5S+ 0 0 119 -4,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.767 70.5 143.4 64.1 28.4 -0.9 -32.3 19.4 30 56 A S E < -B 25 0A 44 -5,-1.0 -5,-2.7 2,-0.0 2,-0.3 -0.514 34.7-153.2 -95.7 167.2 1.2 -31.5 16.4 31 57 A Q E -B 24 0A 77 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.972 12.9-153.6-136.7 151.8 2.4 -28.2 14.9 32 58 A I E -B 23 0A 36 -9,-1.9 -9,-2.6 -2,-0.3 2,-0.4 -0.998 27.4-174.7-120.9 126.1 3.4 -26.7 11.6 33 59 A L E +B 22 0A 41 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.958 18.8 172.3-129.5 136.5 5.8 -23.8 12.1 34 60 A Y E S-B 21 0A 25 -13,-2.5 -13,-2.7 -2,-0.4 -2,-0.0 -0.933 85.7 -21.7-145.2 114.8 7.4 -21.3 9.6 35 61 A R S > S+ 0 0 95 -2,-0.3 3,-1.6 -15,-0.2 123,-0.1 0.812 89.8 154.8 50.7 37.5 9.5 -18.4 11.0 36 62 A A T 3 + 0 0 5 1,-0.3 122,-2.7 -15,-0.2 123,-0.5 0.635 64.4 47.8 -77.4 -12.0 7.5 -19.2 14.2 37 63 A D T 3 S+ 0 0 106 120,-0.2 -1,-0.3 119,-0.1 2,-0.2 0.348 91.3 100.1-103.9 2.1 10.1 -17.8 16.6 38 64 A E S < S- 0 0 68 -3,-1.6 2,-0.3 1,-0.1 120,-0.1 -0.577 76.6-112.4 -83.1 155.2 10.6 -14.5 14.6 39 65 A R + 0 0 92 -2,-0.2 2,-0.3 117,-0.2 117,-0.2 -0.665 33.8 178.8 -89.6 143.7 8.9 -11.4 15.8 40 66 A F E -E 155 0B 2 115,-2.5 115,-1.8 -2,-0.3 2,-0.3 -0.991 39.0-100.2-137.4 144.0 6.2 -9.6 13.8 41 67 A A E -E 154 0B 12 -2,-0.3 113,-0.3 113,-0.2 196,-0.2 -0.489 30.5-153.2 -62.8 125.1 4.1 -6.5 14.6 42 68 A M > + 0 0 1 111,-2.4 3,-2.0 -2,-0.3 -1,-0.2 0.784 21.6 177.3 -71.6 -33.7 0.8 -7.7 15.9 43 69 A C G > S- 0 0 0 110,-0.5 3,-2.0 100,-0.5 -1,-0.2 -0.252 72.8 -10.7 52.7-140.6 -1.3 -4.7 14.9 44 70 A S G > S+ 0 0 8 167,-0.3 3,-1.9 1,-0.3 4,-0.3 0.588 119.4 84.2 -69.2 -5.8 -4.9 -5.3 15.8 45 71 A T G X S+ 0 0 0 -3,-2.0 3,-1.3 1,-0.3 4,-0.4 0.785 79.6 70.2 -61.4 -22.2 -4.3 -9.0 16.6 46 72 A S G <> S+ 0 0 1 -3,-2.0 4,-1.7 1,-0.2 3,-0.4 0.645 76.3 80.9 -64.9 -16.0 -3.3 -7.6 20.0 47 73 A K H <> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.816 83.0 62.9 -62.7 -28.2 -6.9 -6.7 20.7 48 74 A V H <> S+ 0 0 2 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.931 104.0 46.4 -60.2 -45.2 -7.4 -10.4 21.7 49 75 A M H > S+ 0 0 2 -4,-0.4 4,-2.1 -3,-0.4 -2,-0.2 0.900 113.0 49.4 -64.6 -40.2 -5.0 -10.0 24.6 50 76 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.923 112.8 45.9 -65.4 -45.0 -6.6 -6.7 25.7 51 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.904 112.3 52.3 -63.2 -40.9 -10.1 -8.2 25.6 52 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.873 105.6 55.0 -62.7 -36.5 -8.9 -11.3 27.4 53 79 A A H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.901 109.6 46.7 -62.8 -43.5 -7.3 -9.0 30.1 54 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.925 111.7 50.8 -65.1 -43.3 -10.7 -7.4 30.7 55 81 A L H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.916 110.7 49.1 -60.1 -42.1 -12.4 -10.7 30.8 56 82 A K H >< S+ 0 0 75 -4,-2.8 3,-1.5 1,-0.2 4,-0.4 0.940 109.5 51.9 -61.1 -45.7 -9.9 -12.0 33.4 57 83 A K H >X S+ 0 0 62 -4,-2.5 3,-1.5 1,-0.3 4,-0.5 0.864 103.2 60.9 -57.9 -36.6 -10.4 -8.8 35.5 58 84 A S H 3< S+ 0 0 7 -4,-2.0 -1,-0.3 1,-0.3 6,-0.2 0.688 86.5 73.6 -66.3 -19.3 -14.2 -9.5 35.3 59 85 A E T << S+ 0 0 70 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.738 108.6 32.4 -68.0 -24.4 -13.7 -12.8 37.1 60 86 A S T <4 S+ 0 0 98 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.428 125.3 45.0-109.6 1.9 -13.1 -10.9 40.3 61 87 A E S >< S- 0 0 73 -4,-0.5 3,-2.3 -3,-0.2 4,-0.3 -0.795 72.2-172.5-141.6 77.2 -15.4 -8.0 39.5 62 88 A P T 3 S+ 0 0 125 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.693 81.3 50.5 -57.5 -24.5 -18.6 -9.7 38.2 63 89 A N T > S+ 0 0 110 1,-0.2 3,-0.9 2,-0.1 4,-0.4 0.272 80.6 106.1 -91.8 15.0 -20.3 -6.4 37.1 64 90 A L G X + 0 0 2 -3,-2.3 3,-1.8 1,-0.2 29,-0.4 0.886 69.8 56.6 -61.8 -42.3 -17.3 -5.2 35.2 65 91 A L G 3 S+ 0 0 34 -3,-0.3 29,-2.5 1,-0.3 30,-0.3 0.781 105.0 54.2 -65.3 -23.4 -18.5 -5.8 31.6 66 92 A N G < S+ 0 0 100 -3,-0.9 -1,-0.3 27,-0.2 -2,-0.2 0.540 80.7 121.1 -84.1 -7.8 -21.5 -3.6 32.3 67 93 A Q < - 0 0 88 -3,-1.8 26,-1.7 -4,-0.4 2,-0.3 -0.319 63.0-126.7 -60.4 137.8 -19.3 -0.7 33.4 68 94 A R E -F 92 0C 135 24,-0.2 2,-0.4 25,-0.1 24,-0.2 -0.705 20.8-164.4 -93.0 142.2 -19.9 2.4 31.2 69 95 A V E -F 91 0C 24 22,-2.5 22,-2.2 -2,-0.3 2,-0.2 -0.984 20.9-123.0-128.5 124.4 -17.1 4.3 29.5 70 96 A E E -F 90 0C 128 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.470 17.7-153.3 -67.2 136.2 -17.5 7.8 28.1 71 97 A I + 0 0 1 18,-2.6 17,-2.9 15,-0.4 18,-0.4 -0.969 20.9 176.3-110.7 122.4 -16.7 8.3 24.4 72 98 A K >> - 0 0 73 -2,-0.5 3,-1.9 15,-0.2 4,-0.5 -0.815 46.3-108.3-119.9 162.4 -15.5 11.8 23.5 73 99 A K G >4 S+ 0 0 158 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.880 120.0 62.6 -55.1 -37.6 -14.3 13.5 20.3 74 100 A S G 34 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.624 95.9 60.1 -66.2 -15.4 -10.9 13.5 22.0 75 101 A D G <4 S+ 0 0 31 -3,-1.9 -1,-0.3 8,-0.1 -2,-0.2 0.640 79.1 110.6 -81.3 -19.9 -11.0 9.7 22.0 76 102 A L << + 0 0 57 -3,-1.5 2,-0.1 -4,-0.5 4,-0.0 -0.323 40.4 168.8 -62.8 142.0 -11.3 9.3 18.2 77 103 A V - 0 0 43 64,-0.0 3,-0.2 0, 0.0 -1,-0.1 -0.160 53.6 -57.5-125.4-140.8 -8.3 7.9 16.5 78 104 A N S S+ 0 0 97 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.599 122.4 27.8 -88.4 -14.9 -7.7 6.7 12.9 79 105 A Y + 0 0 120 1,-0.0 27,-2.5 25,-0.0 28,-0.5 -0.812 61.8 152.6-156.2 102.0 -10.3 4.0 12.6 80 106 A N > + 0 0 21 -2,-0.3 4,-2.2 25,-0.2 5,-0.2 -0.402 5.6 155.1-133.1 47.7 -13.5 4.3 14.8 81 107 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.799 84.3 21.9 -60.4 -33.7 -16.3 2.4 13.0 82 108 A I T >4 S+ 0 0 26 -3,-0.1 3,-1.8 2,-0.1 4,-0.3 0.835 120.6 55.3 -95.9 -47.3 -18.3 1.8 16.1 83 109 A A G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.822 96.6 66.3 -59.7 -33.9 -17.1 4.4 18.6 84 110 A E G 3< S+ 0 0 123 -4,-2.2 3,-0.5 1,-0.3 -1,-0.3 0.773 97.5 56.5 -59.7 -24.4 -17.9 7.2 16.2 85 111 A K G < S+ 0 0 152 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.566 108.9 46.3 -77.8 -11.8 -21.6 6.3 16.6 86 112 A H S X S+ 0 0 63 -3,-2.0 3,-2.2 -4,-0.3 -15,-0.4 0.259 73.2 141.7-119.7 8.5 -21.4 6.7 20.4 87 113 A V T 3 S+ 0 0 31 -3,-0.5 -15,-0.2 -4,-0.4 3,-0.1 -0.307 75.5 20.4 -57.9 134.6 -19.5 10.0 20.8 88 114 A N T 3 S+ 0 0 138 -17,-2.9 -1,-0.3 1,-0.4 2,-0.2 0.420 120.4 70.3 77.2 7.5 -21.0 12.0 23.7 89 115 A G S < S- 0 0 32 -3,-2.2 -18,-2.6 -18,-0.4 -1,-0.4 -0.571 84.0 -99.4-124.7-166.2 -22.5 8.9 25.2 90 116 A T E -F 70 0C 47 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.837 19.5-157.8-117.2 157.3 -21.1 5.9 27.0 91 117 A M E -F 69 0C 2 -22,-2.2 -22,-2.5 -2,-0.3 2,-0.1 -0.973 25.1-118.5-122.7 148.4 -20.4 2.3 25.8 92 118 A S E > -F 68 0C 9 -2,-0.3 4,-2.5 -24,-0.2 -24,-0.2 -0.421 27.0-111.9 -76.6 162.5 -20.1 -0.7 28.2 93 119 A L H > S+ 0 0 0 -26,-1.7 4,-2.4 -29,-0.4 -27,-0.2 0.861 121.3 55.7 -61.6 -34.6 -16.9 -2.6 28.5 94 120 A A H > S+ 0 0 26 -29,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.943 108.2 47.0 -61.8 -44.7 -18.7 -5.5 26.8 95 121 A E H > S+ 0 0 79 -30,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.870 112.2 50.1 -63.9 -40.3 -19.6 -3.3 23.9 96 122 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.905 110.2 50.4 -64.0 -41.4 -16.1 -2.0 23.6 97 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.937 112.9 46.1 -60.2 -46.5 -14.7 -5.6 23.6 98 124 A A H X S+ 0 0 19 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.902 112.7 50.1 -63.2 -42.5 -17.1 -6.6 20.9 99 125 A A H X S+ 0 0 4 -4,-2.4 6,-1.8 2,-0.2 4,-1.7 0.919 113.3 45.8 -64.7 -42.6 -16.3 -3.5 18.8 100 126 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 4,-0.2 -2,-0.2 0.955 120.9 38.0 -59.9 -49.8 -12.6 -4.1 19.1 101 127 A L H < S+ 0 0 1 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.840 126.0 33.3 -75.8 -34.7 -12.8 -7.8 18.3 102 128 A Q H < S+ 0 0 37 -4,-3.0 87,-2.2 -5,-0.2 88,-0.2 0.682 134.2 21.6-101.0 -21.6 -15.5 -7.8 15.7 103 129 A Y H < S- 0 0 98 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.2 0.361 95.6-121.7-123.1 -3.3 -14.9 -4.4 13.9 104 130 A S < - 0 0 13 -4,-0.9 2,-0.3 -5,-0.4 -4,-0.2 0.855 43.2-177.6 60.4 37.3 -11.3 -3.7 14.8 105 131 A D > - 0 0 1 -6,-1.8 4,-1.7 1,-0.2 -1,-0.2 -0.495 18.2-158.7 -73.1 124.2 -12.3 -0.4 16.4 106 132 A N H > S+ 0 0 8 -27,-2.5 4,-2.1 -2,-0.3 34,-0.3 0.791 89.7 55.5 -79.1 -29.0 -9.2 1.4 17.6 107 133 A V H > S+ 0 0 1 -28,-0.5 4,-2.3 2,-0.2 5,-0.2 0.927 106.9 53.2 -62.3 -43.8 -11.0 3.6 20.2 108 134 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.929 107.7 50.2 -57.6 -46.2 -12.4 0.4 21.7 109 135 A M H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.931 108.3 52.7 -56.2 -48.0 -8.9 -1.0 22.0 110 136 A N H X S+ 0 0 32 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.873 109.0 49.9 -58.3 -37.4 -7.7 2.2 23.7 111 137 A K H X S+ 0 0 31 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.883 111.1 48.3 -68.5 -38.5 -10.5 1.9 26.2 112 138 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 6,-0.2 0.945 113.6 48.1 -64.3 -45.4 -9.7 -1.7 27.0 113 139 A I H X>S+ 0 0 2 -4,-2.9 5,-2.9 1,-0.2 4,-0.9 0.952 114.0 46.3 -56.3 -51.4 -5.9 -0.8 27.3 114 140 A A H ><5S+ 0 0 66 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.909 107.9 56.9 -62.2 -42.4 -6.7 2.1 29.6 115 141 A H H 3<5S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.914 109.7 43.5 -55.9 -48.1 -9.1 0.2 31.7 116 142 A V H 3<5S- 0 0 21 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.561 129.9 -87.8 -82.8 -5.0 -6.6 -2.5 32.6 117 143 A G T <<5S- 0 0 59 -4,-0.9 3,-0.2 -3,-0.8 -3,-0.2 0.488 71.0 -70.7 116.3 8.9 -3.8 -0.1 33.2 118 144 A G S >> S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 17,-0.4 0.861 132.3 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