==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 23-JUL-08 3DWZ . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.W TREMBLAY,J.E.HUGONNET,J.S.BLANCHARD . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 67.3 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 . 38 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 3 2 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 0 132 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 108.3 -31.6 -9.8 8.0 2 44 A L H > + 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.868 360.0 54.5 -54.2 -46.2 -29.6 -7.3 5.8 3 45 A A H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 109.7 48.2 -62.6 -40.0 -31.0 -4.1 7.4 4 46 A D H > S+ 0 0 94 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 112.2 50.0 -62.7 -40.8 -29.9 -5.4 10.9 5 47 A R H X S+ 0 0 133 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.916 111.3 48.0 -66.5 -43.9 -26.4 -6.2 9.5 6 48 A F H X S+ 0 0 2 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.912 110.6 51.3 -64.6 -43.2 -26.0 -2.8 7.9 7 49 A A H X S+ 0 0 22 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.906 107.5 54.2 -57.3 -42.2 -27.1 -1.1 11.1 8 50 A E H X S+ 0 0 62 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.914 107.5 50.5 -55.9 -44.0 -24.5 -3.2 13.0 9 51 A L H X S+ 0 0 6 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.886 106.3 55.1 -63.6 -39.2 -21.8 -1.9 10.6 10 52 A E H <>S+ 0 0 17 -4,-2.0 5,-2.3 1,-0.2 4,-0.5 0.942 110.8 44.7 -58.4 -46.2 -22.9 1.7 11.2 11 53 A R H ><5S+ 0 0 176 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.905 112.2 53.2 -63.2 -40.4 -22.4 1.2 14.9 12 54 A R H 3<5S+ 0 0 149 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 121.2 29.8 -63.2 -39.8 -19.0 -0.6 14.4 13 55 A Y T 3<5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.236 102.6-122.5-107.5 11.6 -17.6 2.2 12.2 14 56 A D T < 5S+ 0 0 98 -3,-0.8 227,-0.4 -4,-0.5 2,-0.3 0.932 72.6 134.1 41.2 53.9 -19.5 5.2 13.8 15 57 A A < - 0 0 17 -5,-2.3 2,-0.5 -6,-0.2 224,-0.2 -0.783 65.7-125.7-128.7 164.4 -20.7 5.7 10.2 16 58 A R E -A 238 0A 65 222,-2.6 222,-1.8 -2,-0.3 2,-0.4 -0.976 35.7-164.6-109.9 128.8 -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 -0.959 11.9-170.6-120.7 133.7 -23.9 3.8 5.3 18 60 A G E +A 236 0A 0 218,-3.0 218,-2.7 -2,-0.4 2,-0.4 -0.987 8.7 178.9-124.1 136.1 -26.0 3.8 2.1 19 61 A V E +AB 235 32A 0 13,-2.5 13,-2.4 -2,-0.4 2,-0.3 -0.996 4.7 174.3-136.4 133.1 -26.4 0.7 -0.2 20 62 A Y E +AB 234 31A 20 214,-2.3 214,-2.6 -2,-0.4 11,-0.2 -0.964 9.1 172.1-140.7 133.6 -28.3 0.2 -3.4 21 63 A V E - B 0 30A 1 9,-2.4 9,-2.3 -2,-0.3 212,-0.2 -0.976 35.9-125.3-128.6 116.5 -28.5 -2.8 -5.8 22 64 A P - 0 0 5 0, 0.0 210,-0.2 0, 0.0 5,-0.1 -0.238 32.3 -97.7 -59.1 149.8 -31.2 -2.4 -8.5 23 65 A A - 0 0 56 6,-0.1 2,-0.2 1,-0.1 5,-0.2 -0.298 45.9-175.4 -62.1 151.0 -33.8 -5.1 -8.9 24 66 A T - 0 0 51 3,-2.0 5,-0.1 -3,-0.1 -1,-0.1 -0.605 46.0 -59.2-116.6-150.8 -33.2 -7.7 -11.6 25 67 A G S S+ 0 0 74 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 0.952 130.2 2.2 -59.0 -64.5 -35.0 -10.6 -13.0 26 68 A T S S+ 0 0 140 2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.297 114.4 84.7-126.7 14.1 -35.3 -12.5 -9.9 27 69 A T - 0 0 30 -5,-0.1 -3,-2.0 3,-0.0 2,-0.1 -0.955 68.0-131.5-112.8 135.4 -33.8 -10.3 -7.2 28 70 A A - 0 0 85 -2,-0.4 -2,-0.1 -5,-0.2 -3,-0.0 -0.427 42.7 -87.2 -72.2 154.1 -35.5 -7.6 -5.3 29 71 A A - 0 0 29 -2,-0.1 2,-0.5 -6,-0.1 -1,-0.1 -0.313 37.9-138.6 -55.9 142.8 -33.7 -4.2 -5.0 30 72 A I E +B 21 0A 14 -9,-2.3 -9,-2.4 -3,-0.1 2,-0.4 -0.958 32.3 172.4-104.0 127.1 -31.4 -4.1 -2.0 31 73 A E E +B 20 0A 111 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.981 20.6 164.5-145.2 129.3 -31.7 -0.7 -0.3 32 74 A Y E S-B 19 0A 32 -13,-2.4 -13,-2.5 -2,-0.4 4,-0.1 -0.946 88.7 -23.2-141.4 117.7 -30.4 0.9 2.9 33 75 A R S > S+ 0 0 96 -2,-0.4 3,-1.5 -15,-0.2 125,-0.1 0.820 91.9 154.3 49.3 31.5 -30.5 4.7 3.2 34 76 A A T 3 + 0 0 4 1,-0.3 124,-2.5 -15,-0.2 125,-0.4 0.673 64.1 45.0 -71.7 -17.6 -30.6 4.4 -0.6 35 77 A D T 3 S+ 0 0 106 122,-0.1 -1,-0.3 123,-0.1 2,-0.3 0.338 88.9 106.9-107.9 5.6 -32.3 7.7 -1.1 36 78 A E S < S- 0 0 64 -3,-1.5 2,-0.2 -4,-0.1 122,-0.2 -0.617 77.3-109.5 -77.5 145.0 -30.2 9.7 1.4 37 79 A R + 0 0 66 -2,-0.3 2,-0.3 119,-0.2 119,-0.2 -0.557 38.4 177.0 -76.1 135.7 -27.7 12.1 -0.1 38 80 A F E -E 155 0B 3 117,-2.5 117,-2.6 -2,-0.2 200,-0.0 -0.976 40.0 -93.3-130.9 146.4 -24.0 11.3 0.1 39 81 A A E -E 154 0B 7 -2,-0.3 115,-0.3 115,-0.2 198,-0.2 -0.343 26.4-141.0 -53.3 137.0 -21.0 13.2 -1.3 40 82 A F > + 0 0 0 113,-2.5 3,-2.1 95,-0.2 -1,-0.2 0.883 33.9 173.3 -55.8 -42.8 -20.0 11.9 -4.8 41 83 A C G > S- 0 0 0 112,-0.5 3,-1.2 102,-0.4 -1,-0.1 -0.284 72.4 -24.3 39.8-139.9 -16.4 12.4 -4.0 42 84 A S G > S+ 0 0 0 1,-0.2 3,-2.1 169,-0.2 4,-0.3 0.554 120.3 91.8 -79.3 -3.3 -14.3 10.8 -7.1 43 85 A T G X S+ 0 0 0 -3,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.827 74.1 69.9 -62.1 -19.0 -17.4 8.4 -8.0 44 86 A F G <> S+ 0 0 0 -3,-1.2 4,-2.1 1,-0.3 -1,-0.3 0.717 79.8 76.8 -59.7 -21.0 -18.5 11.3 -10.4 45 87 A K H <> S+ 0 0 0 -3,-2.1 4,-2.1 2,-0.2 -1,-0.3 0.752 86.4 59.9 -66.3 -25.9 -15.5 10.5 -12.6 46 88 A A H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 3,-0.2 0.993 111.8 36.5 -64.2 -61.8 -17.2 7.4 -14.0 47 89 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.813 113.5 61.4 -58.9 -28.0 -20.2 9.4 -15.5 48 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.941 105.3 45.7 -60.7 -47.8 -17.8 12.3 -16.3 49 91 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.910 112.1 52.2 -61.6 -41.8 -15.8 10.0 -18.7 50 92 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.913 109.4 50.6 -58.2 -43.6 -19.1 8.7 -20.1 51 93 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.932 112.6 45.3 -59.4 -50.4 -20.1 12.4 -20.7 52 94 A V H X S+ 0 0 1 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.917 114.7 48.0 -61.2 -46.6 -16.9 13.2 -22.5 53 95 A L H >< S+ 0 0 6 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.935 113.9 47.3 -56.9 -48.8 -17.0 10.0 -24.6 54 96 A H H 3< S+ 0 0 95 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 109.2 54.5 -61.2 -38.8 -20.6 10.7 -25.5 55 97 A Q H 3< S+ 0 0 120 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.651 110.4 42.0 -73.3 -18.7 -20.0 14.3 -26.4 56 98 A N S << S- 0 0 33 -4,-0.8 5,-0.0 -3,-0.8 0, 0.0 -0.867 89.2 -89.1-133.1 157.5 -17.2 13.7 -28.9 57 99 A P > - 0 0 93 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.335 49.5-109.5 -56.6 151.5 -16.0 11.5 -31.8 58 100 A L G > S+ 0 0 63 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.853 116.9 63.6 -54.9 -36.9 -14.1 8.5 -30.5 59 101 A T G > S+ 0 0 100 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.504 75.4 86.8 -75.4 0.4 -10.8 10.0 -31.9 60 102 A H G X S+ 0 0 32 -3,-2.2 3,-1.6 1,-0.2 29,-0.5 0.720 74.4 76.7 -58.2 -22.9 -11.1 13.0 -29.5 61 103 A L G < S+ 0 0 20 -3,-1.8 29,-2.7 1,-0.3 30,-0.4 0.737 88.1 57.4 -58.7 -22.7 -9.3 10.6 -27.2 62 104 A D G < S+ 0 0 113 -3,-1.5 2,-0.4 27,-0.2 -1,-0.3 0.494 77.8 114.4 -91.8 -5.3 -6.1 11.4 -29.2 63 105 A K < - 0 0 117 -3,-1.6 26,-1.9 -4,-0.1 2,-0.4 -0.530 66.4-129.3 -68.4 125.3 -6.2 15.1 -28.5 64 106 A L E -F 88 0C 96 -2,-0.4 2,-0.5 24,-0.2 24,-0.3 -0.608 19.8-161.1 -76.2 127.5 -3.3 16.3 -26.4 65 107 A I E -F 87 0C 30 22,-3.1 22,-2.6 -2,-0.4 2,-0.3 -0.929 4.6-158.3-108.6 129.1 -4.2 18.4 -23.4 66 108 A T + 0 0 107 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.789 17.0 165.9-106.9 153.7 -1.4 20.6 -21.8 67 109 A Y - 0 0 12 16,-0.4 2,-0.2 -2,-0.3 19,-0.1 -0.940 15.9-144.3-158.9 171.8 -1.5 21.9 -18.2 68 110 A T > - 0 0 78 -2,-0.3 3,-1.8 16,-0.0 4,-0.4 -0.625 40.0 -71.2-138.3-175.3 0.8 23.5 -15.7 69 111 A S G > S+ 0 0 106 1,-0.3 3,-1.6 -2,-0.2 14,-0.0 0.866 123.0 55.3 -52.8 -43.3 1.9 23.8 -12.1 70 112 A D G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.547 98.2 64.7 -78.0 -0.5 -1.2 25.8 -11.0 71 113 A D G < S+ 0 0 41 -3,-1.8 2,-1.0 1,-0.1 -1,-0.3 0.537 81.0 86.7 -89.6 -12.3 -3.5 23.0 -12.4 72 114 A I < + 0 0 61 -3,-1.6 -1,-0.1 -4,-0.4 3,-0.1 -0.796 45.4 136.4 -95.4 100.8 -2.3 20.5 -9.8 73 115 A R + 0 0 118 -2,-1.0 2,-0.3 2,-0.1 -1,-0.2 0.234 61.4 27.7-129.5 5.8 -4.5 21.1 -6.9 74 116 A S S S- 0 0 23 -3,-0.1 29,-0.2 66,-0.1 2,-0.0 -0.926 107.2 -46.8-160.9 170.9 -5.6 17.7 -5.6 75 117 A I + 0 0 62 -2,-0.3 27,-2.9 27,-0.1 28,-0.2 -0.334 60.8 163.3 -54.1 124.4 -4.3 14.1 -5.5 76 118 A S > + 0 0 9 25,-0.3 4,-2.4 26,-0.2 5,-0.3 -0.521 11.6 172.9-152.2 68.5 -3.1 13.4 -9.1 77 119 A P T 4 S+ 0 0 24 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.767 84.5 29.3 -59.8 -31.4 -0.8 10.3 -9.2 78 120 A V T >> S+ 0 0 19 2,-0.1 3,-1.3 3,-0.1 4,-0.8 0.875 117.0 53.6 -94.9 -51.2 -0.7 10.3 -13.0 79 121 A A G >4 S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.828 103.3 59.3 -60.2 -32.1 -1.1 14.0 -14.0 80 122 A Q G 3< S+ 0 0 105 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.813 107.1 47.9 -63.0 -30.9 1.8 14.9 -11.7 81 123 A Q G <4 S+ 0 0 131 -3,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.651 117.2 42.4 -78.2 -16.9 4.2 12.6 -13.7 82 124 A H S XX S+ 0 0 55 -4,-0.8 4,-2.3 -3,-0.7 3,-1.2 0.317 75.5 107.0-121.2 4.9 3.0 13.9 -17.0 83 125 A V T 34 S+ 0 0 37 -4,-0.5 -16,-0.4 -3,-0.4 -1,-0.1 0.747 79.4 55.9 -66.0 -24.9 2.8 17.7 -16.5 84 126 A Q T 34 S+ 0 0 188 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.729 119.9 28.8 -80.5 -23.0 5.9 18.4 -18.6 85 127 A T T <4 S- 0 0 101 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.627 103.5-124.9-111.7 -19.3 4.6 16.6 -21.6 86 128 A G < - 0 0 5 -4,-2.3 2,-0.3 -7,-0.2 -20,-0.2 -0.262 19.8-109.6 91.0 171.8 0.8 16.9 -21.5 87 129 A M E -F 65 0C 0 -22,-2.6 -22,-3.1 -2,-0.1 2,-0.1 -0.996 20.2-121.7-140.1 143.3 -1.8 14.1 -21.6 88 130 A T E > -F 64 0C 34 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.384 33.6-107.2 -76.0 162.5 -4.3 13.0 -24.2 89 131 A I H > S+ 0 0 0 -26,-1.9 4,-2.8 -29,-0.5 5,-0.2 0.908 124.1 53.7 -55.0 -40.4 -8.0 12.9 -23.4 90 132 A G H > S+ 0 0 12 -29,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.926 108.8 48.0 -61.5 -46.7 -7.7 9.1 -23.5 91 133 A Q H > S+ 0 0 75 -30,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.872 111.4 51.2 -58.8 -39.7 -4.8 9.3 -20.9 92 134 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.916 110.1 48.0 -66.3 -45.9 -6.9 11.7 -18.8 93 135 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.926 112.7 50.3 -56.8 -45.9 -9.9 9.3 -18.8 94 136 A D H X S+ 0 0 34 -4,-2.4 4,-3.3 -5,-0.2 5,-0.4 0.956 114.6 42.6 -57.0 -54.2 -7.6 6.4 -17.9 95 137 A A H X S+ 0 0 1 -4,-2.5 6,-2.0 1,-0.2 4,-1.8 0.886 111.5 54.4 -61.7 -43.7 -6.1 8.3 -15.0 96 138 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 4,-0.3 -2,-0.2 0.915 121.1 30.6 -59.3 -44.5 -9.4 9.7 -13.7 97 139 A I H < S+ 0 0 0 -4,-2.3 112,-0.3 -5,-0.2 93,-0.2 0.953 126.8 38.0 -77.9 -53.4 -10.9 6.3 -13.5 98 140 A R H < S+ 0 0 32 -4,-3.3 91,-1.9 -5,-0.3 92,-0.3 0.744 134.8 19.3 -79.0 -28.3 -8.0 4.0 -12.7 99 141 A Y S < S- 0 0 81 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.2 0.305 98.8-123.0-118.1 3.4 -6.0 6.2 -10.3 100 142 A S - 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0 0 3 -119,-0.2 4,-2.7 -2,-0.2 5,-0.3 -0.961 24.8-114.4-133.1 154.9 -27.6 8.9 -3.6 157 199 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.917 120.3 49.8 -53.8 -39.3 -26.8 5.2 -3.8 158 200 A H H > S+ 0 0 46 -124,-2.5 4,-1.9 2,-0.2 5,-0.2 0.956 112.1 45.2 -61.5 -51.8 -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 0.930 115.7 45.3 -63.7 -45.0 -29.5 7.6 -8.2 160 202 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.831 109.7 55.0 -72.4 -31.3 -25.9 6.7 -9.0 161 203 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.897 109.5 47.5 -64.4 -40.5 -26.7 2.9 -9.3 162 204 A L H X S+ 0 0 64 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.869 113.0 49.2 -70.1 -36.1 -29.3 3.7 -11.9 163 205 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.963 113.3 45.8 -63.3 -51.2 -26.9 6.0 -13.8 164 206 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 5,-0.5 0.882 108.4 57.2 -63.1 -38.3 -24.1 3.3 -13.7 165 207 A Q H X>S+ 0 0 62 -4,-2.4 5,-2.1 1,-0.2 4,-1.9 0.920 109.2 45.7 -55.6 -46.1 -26.6 0.7 -14.8 166 208 A Q H <5S+ 0 0 68 -4,-1.7 6,-1.6 3,-0.2 7,-0.4 0.892 114.3 48.6 -64.0 -40.6 -27.4 2.7 -17.9 167 209 A L H <5S+ 0 0 0 -4,-2.1 6,-0.3 5,-0.2 -2,-0.2 0.889 126.5 21.7 -66.1 -44.8 -23.8 3.4 -18.7 168 210 A V H <5S+ 0 0 9 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.832 139.1 21.8 -98.6 -42.0 -22.4 -0.1 -18.4 169 211 A L T <5S+ 0 0 58 -4,-1.9 -3,-0.2 -5,-0.5 -4,-0.1 0.769 118.6 55.8-100.9 -31.7 -25.4 -2.4 -18.9 170 212 A G S - 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