==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 07-JUN-10 3NDE . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.W.TREMBLAY,J.S.BLANCHARD . 265 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 68.7 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 . 35 13.2 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 32.1 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 1 0 0 0 0 0 2 2 3 0 0 1 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 2 1 0 1 0 0 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 43 A D > 0 0 127 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 127.7 -31.6 9.8 -8.3 2 44 A L H > + 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 360.0 49.3 -60.4 -46.0 -29.8 7.5 -5.8 3 45 A A H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 111.3 51.8 -61.8 -38.0 -31.0 4.1 -7.3 4 46 A D H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 109.1 50.3 -62.7 -40.2 -29.9 5.4 -10.8 5 47 A R H X S+ 0 0 134 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.909 111.0 47.9 -66.6 -42.3 -26.4 6.2 -9.4 6 48 A F H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.910 110.9 51.2 -64.7 -41.6 -26.0 2.8 -7.8 7 49 A A H X S+ 0 0 20 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.901 107.5 54.3 -60.9 -40.3 -27.1 1.1 -11.0 8 50 A E H X S+ 0 0 57 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.913 107.6 50.0 -58.4 -42.9 -24.6 3.2 -12.9 9 51 A L H X S+ 0 0 6 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.885 106.2 55.9 -65.3 -38.9 -21.8 1.9 -10.6 10 52 A E H X>S+ 0 0 17 -4,-2.2 5,-2.3 1,-0.2 4,-0.5 0.934 110.6 44.4 -57.1 -46.1 -22.9 -1.6 -11.1 11 53 A R H ><5S+ 0 0 172 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.916 111.9 53.4 -64.3 -40.6 -22.4 -1.2 -14.9 12 54 A R H 3<5S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 121.1 30.0 -62.4 -36.9 -19.1 0.6 -14.4 13 55 A Y H 3<5S- 0 0 18 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.258 103.1-122.1-109.1 8.2 -17.6 -2.2 -12.3 14 56 A D T <<5S+ 0 0 101 -3,-0.8 227,-0.4 -4,-0.5 2,-0.3 0.936 72.3 134.9 43.7 56.1 -19.5 -5.1 -13.8 15 57 A A < - 0 0 16 -5,-2.3 2,-0.5 -6,-0.2 224,-0.2 -0.763 65.6-125.3-130.9 162.3 -20.7 -5.7 -10.3 16 58 A R E -A 238 0A 62 222,-2.6 222,-2.0 -2,-0.3 2,-0.4 -0.984 36.1-165.3-107.5 127.8 -23.7 -6.4 -8.0 17 59 A L E -A 237 0A 0 -2,-0.5 2,-0.4 220,-0.2 220,-0.2 -0.951 11.3-171.1-120.1 135.4 -23.9 -3.7 -5.3 18 60 A G E +A 236 0A 0 218,-3.1 218,-2.6 -2,-0.4 2,-0.4 -0.980 7.8 179.3-126.1 138.7 -25.9 -3.7 -2.1 19 61 A V E +AB 235 32A 0 13,-2.6 13,-2.4 -2,-0.4 2,-0.3 -1.000 5.3 175.0-138.9 133.2 -26.4 -0.8 0.2 20 62 A Y E +AB 234 31A 21 214,-2.3 214,-2.4 -2,-0.4 11,-0.2 -0.969 9.0 171.1-139.2 132.7 -28.3 -0.2 3.5 21 63 A V E - B 0 30A 0 9,-2.4 9,-2.3 -2,-0.3 212,-0.2 -0.967 35.7-126.7-128.3 118.0 -28.5 2.7 5.8 22 64 A P - 0 0 4 0, 0.0 210,-0.2 0, 0.0 5,-0.1 -0.215 32.2 -96.3 -60.7 148.7 -31.2 2.3 8.6 23 65 A A - 0 0 58 6,-0.1 5,-0.2 1,-0.1 2,-0.2 -0.319 48.5-178.9 -58.9 147.4 -33.8 5.1 9.0 24 66 A T - 0 0 43 3,-2.2 5,-0.1 -3,-0.1 -1,-0.1 -0.580 47.2 -50.8-125.3-168.0 -33.1 7.7 11.7 25 67 A G S S- 0 0 81 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.899 130.6 -5.9 -20.5 -84.8 -34.6 10.7 13.2 26 68 A T S S+ 0 0 137 2,-0.1 2,-0.5 -3,-0.0 -1,-0.2 0.215 114.6 90.8-117.5 10.3 -35.3 12.5 9.9 27 69 A T - 0 0 30 -5,-0.1 -3,-2.2 3,-0.0 2,-0.1 -0.932 67.0-133.0-111.4 136.3 -33.7 10.4 7.2 28 70 A A - 0 0 82 -2,-0.5 -2,-0.1 -5,-0.2 -3,-0.0 -0.419 41.9 -86.3 -70.6 155.1 -35.5 7.6 5.4 29 71 A A - 0 0 35 -2,-0.1 2,-0.5 -6,-0.1 -1,-0.1 -0.352 37.4-138.2 -56.3 142.9 -33.7 4.2 5.1 30 72 A I E +B 21 0A 14 -9,-2.3 -9,-2.4 -3,-0.1 2,-0.4 -0.941 32.4 172.9-103.6 127.2 -31.4 4.1 2.0 31 73 A E E +B 20 0A 124 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.989 20.0 163.7-142.7 131.9 -31.7 0.7 0.4 32 74 A Y E S-B 19 0A 30 -13,-2.4 -13,-2.6 -2,-0.4 4,-0.1 -0.912 88.2 -23.9-145.2 118.3 -30.4 -0.8 -2.8 33 75 A R S > S+ 0 0 96 -2,-0.3 3,-1.5 -15,-0.2 125,-0.1 0.820 91.8 153.5 48.8 32.9 -30.5 -4.6 -3.2 34 76 A A T 3 + 0 0 6 1,-0.3 124,-2.6 -15,-0.2 125,-0.4 0.687 63.6 46.0 -73.5 -17.5 -30.5 -4.4 0.6 35 77 A D T 3 S+ 0 0 108 122,-0.2 -1,-0.3 121,-0.1 2,-0.3 0.323 88.8 106.5-105.3 6.5 -32.4 -7.7 1.1 36 78 A E S < S- 0 0 64 -3,-1.5 2,-0.3 -4,-0.1 122,-0.2 -0.628 77.1-110.1 -81.4 144.0 -30.2 -9.7 -1.4 37 79 A R + 0 0 68 -2,-0.3 2,-0.3 119,-0.2 119,-0.2 -0.561 38.5 174.9 -75.8 135.0 -27.7 -12.1 0.1 38 80 A F E -E 155 0B 3 117,-2.4 117,-2.6 -2,-0.3 200,-0.0 -0.974 41.3 -91.8-131.4 149.3 -24.0 -11.3 -0.2 39 81 A A E -E 154 0B 5 -2,-0.3 115,-0.3 115,-0.2 198,-0.2 -0.363 27.0-139.2 -56.2 135.5 -21.0 -13.2 1.4 40 82 A F > + 0 0 0 113,-2.5 3,-1.7 95,-0.2 -1,-0.1 0.881 35.4 173.3 -52.1 -45.8 -20.0 -11.9 4.8 41 83 A C G > S- 0 0 0 112,-0.5 3,-1.5 102,-0.4 -1,-0.1 -0.302 70.6 -24.0 45.6-144.5 -16.4 -12.3 4.0 42 84 A S G > S+ 0 0 13 1,-0.3 3,-2.0 169,-0.2 4,-0.3 0.531 119.1 91.4 -72.4 -5.2 -14.4 -10.8 6.9 43 85 A T G X S+ 0 0 0 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.774 72.6 72.5 -61.0 -20.7 -17.2 -8.5 8.0 44 86 A F G <> S+ 0 0 1 -3,-1.5 4,-2.0 1,-0.3 -1,-0.3 0.729 78.8 77.9 -64.0 -18.9 -18.4 -11.3 10.4 45 87 A K H <> S+ 0 0 5 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.775 85.6 59.8 -65.8 -27.2 -15.4 -10.5 12.6 46 88 A A H <> S+ 0 0 0 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.2 0.984 111.8 36.1 -65.4 -57.2 -17.1 -7.5 14.1 47 89 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.792 113.0 62.6 -66.3 -22.2 -20.1 -9.4 15.5 48 90 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.947 104.7 45.2 -62.7 -46.8 -17.7 -12.3 16.3 49 91 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.912 112.0 53.2 -63.5 -40.3 -15.7 -10.1 18.7 50 92 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.920 108.2 50.7 -58.0 -44.4 -19.1 -8.8 20.1 51 93 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.922 112.4 45.4 -59.3 -48.1 -20.1 -12.5 20.7 52 94 A V H X S+ 0 0 1 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.918 114.7 48.4 -62.8 -45.0 -16.8 -13.3 22.5 53 95 A L H >< S+ 0 0 6 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.946 113.5 47.6 -58.5 -49.0 -17.0 -10.1 24.6 54 96 A H H 3< S+ 0 0 95 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 109.5 53.9 -59.7 -39.6 -20.7 -10.8 25.5 55 97 A Q H 3< S+ 0 0 122 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.667 110.4 41.4 -72.1 -19.4 -20.0 -14.4 26.5 56 98 A N S << S- 0 0 35 -4,-0.9 5,-0.0 -3,-0.9 0, 0.0 -0.855 88.3 -89.6-133.5 159.6 -17.2 -13.8 29.0 57 99 A P > - 0 0 92 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.331 49.4-109.0 -60.0 154.3 -16.0 -11.6 31.8 58 100 A L G > S+ 0 0 63 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.845 116.9 63.2 -57.3 -35.3 -14.0 -8.6 30.6 59 101 A T G > S+ 0 0 102 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.518 76.0 86.5 -74.9 -3.1 -10.8 -10.1 32.0 60 102 A H G X S+ 0 0 32 -3,-2.0 3,-1.6 1,-0.2 29,-0.4 0.734 74.7 76.8 -58.8 -21.4 -11.1 -13.1 29.6 61 103 A L G < S+ 0 0 20 -3,-1.9 29,-2.6 1,-0.3 30,-0.4 0.744 88.0 57.3 -58.7 -21.4 -9.3 -10.6 27.3 62 104 A D G < S+ 0 0 113 -3,-1.7 2,-0.3 27,-0.2 -1,-0.3 0.500 77.7 114.8 -94.6 -1.8 -6.2 -11.4 29.3 63 105 A K < - 0 0 115 -3,-1.6 26,-2.0 -4,-0.2 2,-0.4 -0.523 65.6-129.7 -70.1 126.2 -6.3 -15.2 28.6 64 106 A L E -F 88 0C 98 -2,-0.3 2,-0.5 24,-0.2 24,-0.3 -0.614 19.5-160.3 -79.6 130.1 -3.3 -16.4 26.5 65 107 A I E -F 87 0C 28 22,-2.9 22,-2.6 -2,-0.4 2,-0.3 -0.943 4.1-156.7-111.8 128.0 -4.2 -18.5 23.5 66 108 A T + 0 0 108 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.795 17.0 168.2-105.1 150.9 -1.5 -20.8 21.9 67 109 A Y - 0 0 11 16,-0.4 2,-0.2 -2,-0.3 19,-0.1 -0.947 15.8-142.2-156.6 170.2 -1.5 -22.0 18.4 68 110 A T > - 0 0 80 -2,-0.3 3,-1.9 16,-0.0 4,-0.4 -0.608 39.1 -76.4-135.5-178.2 0.8 -23.7 15.8 69 111 A S G > S+ 0 0 105 1,-0.3 3,-1.5 -2,-0.2 14,-0.0 0.852 121.9 56.8 -54.5 -42.0 1.9 -23.9 12.2 70 112 A D G 3 S+ 0 0 113 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.562 96.9 65.1 -76.4 -2.1 -1.2 -25.9 11.0 71 113 A D G < S+ 0 0 41 -3,-1.9 2,-1.0 1,-0.1 -1,-0.3 0.568 80.2 87.6 -88.2 -14.1 -3.5 -23.1 12.4 72 114 A I < + 0 0 59 -3,-1.5 -1,-0.1 -4,-0.4 3,-0.1 -0.771 44.5 136.2 -93.8 101.1 -2.2 -20.5 9.8 73 115 A R + 0 0 122 -2,-1.0 2,-0.3 2,-0.1 -1,-0.2 0.214 61.8 27.2-130.9 5.1 -4.5 -21.2 6.8 74 116 A S S S- 0 0 32 -3,-0.1 29,-0.2 66,-0.1 2,-0.1 -0.949 105.4 -48.1-162.8 170.2 -5.4 -17.6 5.7 75 117 A I + 0 0 144 -2,-0.3 27,-2.8 27,-0.1 28,-0.2 -0.379 60.2 162.8 -57.3 122.6 -4.2 -14.0 5.6 76 118 A S > + 0 0 8 25,-0.3 4,-2.3 26,-0.2 5,-0.3 -0.569 12.6 175.7-149.6 68.7 -3.1 -13.4 9.2 77 119 A P T 4 S+ 0 0 43 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.783 84.6 27.9 -56.1 -35.0 -0.9 -10.3 9.4 78 120 A V T >> S+ 0 0 22 2,-0.1 3,-1.3 3,-0.1 4,-0.8 0.894 117.3 54.2 -93.7 -50.7 -0.6 -10.4 13.2 79 121 A A G >4 S+ 0 0 0 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.815 102.7 59.1 -58.8 -33.5 -1.0 -14.1 14.1 80 122 A Q G 3< S+ 0 0 102 -4,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.831 107.6 48.1 -60.7 -33.9 1.8 -15.1 11.8 81 123 A Q G <4 S+ 0 0 129 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.583 115.8 41.8 -80.8 -18.7 4.2 -12.8 13.8 82 124 A H S XX S+ 0 0 54 -4,-0.8 4,-2.3 -3,-0.6 3,-1.2 0.215 76.3 111.0-117.0 11.8 3.2 -14.1 17.2 83 125 A V T 34 S+ 0 0 40 -4,-0.4 -16,-0.4 -3,-0.4 -1,-0.1 0.840 76.5 55.6 -58.9 -33.1 2.9 -17.8 16.5 84 126 A Q T 34 S+ 0 0 192 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.750 120.8 27.7 -72.5 -21.6 6.0 -18.5 18.7 85 127 A T T <4 S- 0 0 100 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.610 102.4-124.6-116.4 -18.7 4.5 -16.8 21.8 86 128 A G < - 0 0 4 -4,-2.3 2,-0.3 -7,-0.2 -20,-0.2 -0.259 21.1-107.0 89.8 172.4 0.7 -17.0 21.6 87 129 A M E -F 65 0C 0 -22,-2.6 -22,-2.9 -2,-0.1 2,-0.1 -0.997 20.9-120.4-140.0 142.1 -1.8 -14.2 21.7 88 130 A T E > -F 64 0C 35 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.389 34.0-108.1 -72.5 161.1 -4.2 -13.1 24.4 89 131 A I H > S+ 0 0 0 -26,-2.0 4,-2.8 -29,-0.4 5,-0.2 0.907 123.7 53.9 -54.3 -40.1 -8.0 -13.0 23.5 90 132 A G H > S+ 0 0 12 -29,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.918 108.2 48.0 -61.7 -43.9 -7.7 -9.2 23.6 91 133 A Q H > S+ 0 0 77 -30,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.869 111.5 51.6 -63.2 -37.4 -4.8 -9.4 21.0 92 134 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.914 109.9 47.9 -67.0 -44.9 -6.9 -11.8 18.9 93 135 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.928 112.6 50.4 -57.4 -46.1 -9.9 -9.4 18.9 94 136 A D H X S+ 0 0 34 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.943 114.8 42.7 -57.1 -51.5 -7.6 -6.5 18.0 95 137 A A H X S+ 0 0 1 -4,-2.6 6,-1.9 1,-0.2 4,-1.9 0.882 111.3 54.1 -64.2 -42.9 -6.1 -8.4 15.1 96 138 A A H < S+ 0 0 0 -4,-2.8 4,-0.3 4,-0.3 -1,-0.2 0.911 120.5 32.2 -61.3 -41.7 -9.4 -9.9 13.8 97 139 A I H < S+ 0 0 0 -4,-2.3 112,-0.3 -5,-0.2 -2,-0.2 0.952 126.7 35.7 -79.3 -51.5 -10.9 -6.4 13.6 98 140 A R H < S+ 0 0 34 -4,-3.1 91,-1.9 -5,-0.3 92,-0.2 0.712 133.9 22.7 -84.4 -23.9 -8.0 -4.1 12.7 99 141 A Y S < S- 0 0 85 -4,-1.9 -1,-0.2 -5,-0.4 3,-0.2 0.268 98.1-123.2-120.5 5.9 -6.0 -6.4 10.4 100 142 A S - 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0 0 0 22,-0.1 2,-0.3 -11,-0.1 21,-0.2 -0.191 51.0-177.9 -71.9 157.1 -27.5 -14.3 8.2 135 177 A R - 0 0 81 19,-2.5 2,-0.4 16,-0.1 19,-0.3 -0.986 18.1-158.0-153.7 140.1 -25.6 -17.6 8.5 136 178 A L + 0 0 4 -17,-0.3 -13,-0.2 -2,-0.3 3,-0.1 -0.993 21.4 160.3-116.7 131.5 -22.0 -18.6 9.0 137 179 A D + 0 0 65 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.520 60.6 30.7-124.1 -19.4 -21.1 -22.1 8.0 138 180 A A - 0 0 21 -19,-0.1 -1,-0.2 5,-0.0 2,-0.2 -0.891 66.7-132.6-138.4 162.7 -17.3 -22.2 7.5 139 181 A E > - 0 0 47 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.415 57.1 -20.9-104.3-167.0 -14.3 -20.5 9.0 140 182 A A T 4 S+ 0 0 5 -38,-0.3 -1,-0.1 1,-0.3 -66,-0.1 -0.533 123.8 11.7 -75.3 138.0 -11.3 -18.9 7.3 141 183 A P T >4 S+ 0 0 20 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.998 125.4 54.4 -87.3 -13.9 -10.4 -19.4 4.4 142 184 A E G >4 S+ 0 0 96 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.762 92.5 70.8 -60.1 -30.7 -13.4 -21.4 3.2 143 185 A L G 3< S+ 0 0 2 -4,-2.0 -102,-0.4 1,-0.3 3,-0.3 0.681 96.2 53.7 -67.2 -15.8 -16.0 -18.8 4.1 144 186 A N G < S+ 0 0 27 -3,-1.7 69,-1.5 -5,-0.2 -1,-0.3 0.450 99.8 65.4 -88.4 -1.4 -14.9 -16.5 1.3 145 187 A R < + 0 0 110 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.351 59.7 127.2-111.2 -0.2 -15.2 -19.1 -1.5 146 188 A D - 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0 0 4 -119,-0.2 4,-2.7 -2,-0.2 5,-0.4 -0.956 24.1-114.3-133.2 157.9 -27.6 -9.0 3.6 157 199 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -137,-0.2 0.929 120.0 49.2 -55.5 -42.2 -26.8 -5.3 3.8 158 200 A H H > S+ 0 0 46 -124,-2.6 4,-2.0 2,-0.2 5,-0.2 0.951 113.1 45.2 -58.4 -52.3 -30.1 -4.8 5.7 159 201 A A H > S+ 0 0 10 -125,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.930 115.4 44.9 -63.1 -46.2 -29.4 -7.6 8.2 160 202 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.844 110.1 55.6 -72.9 -30.1 -25.8 -6.7 9.0 161 203 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.4 -1,-0.2 0.924 108.7 47.4 -64.6 -42.3 -26.7 -3.0 9.3 162 204 A L H X S+ 0 0 62 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.862 113.0 49.7 -68.0 -35.8 -29.3 -3.8 12.0 163 205 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.949 112.5 46.1 -63.6 -50.7 -26.8 -6.0 13.8 164 206 A L H X>S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.5 0.885 108.6 57.1 -63.0 -36.4 -24.1 -3.4 13.7 165 207 A Q H X>S+ 0 0 64 -4,-2.5 5,-2.1 1,-0.2 4,-1.9 0.928 109.1 45.3 -59.2 -45.4 -26.6 -0.7 14.9 166 208 A Q H <5S+ 0 0 65 -4,-1.7 6,-1.6 3,-0.2 7,-0.4 0.886 114.8 48.7 -65.2 -39.0 -27.4 -2.8 18.0 167 209 A L H <5S+ 0 0 0 -4,-2.1 6,-0.3 5,-0.2 -2,-0.2 0.895 126.3 21.9 -66.8 -46.1 -23.8 -3.5 18.7 168 210 A V H <5S+ 0 0 10 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.837 139.0 22.1 -96.1 -40.2 -22.4 0.0 18.4 169 211 A L T < - 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