==== 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 28-MAY-10 3N8L . 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) . 10768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 67.2 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 . 36 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 31.7 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 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,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 136.1 -31.1 9.8 -8.3 2 44 A L H > + 0 0 48 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.907 360.0 48.4 -58.4 -50.8 -29.5 7.3 -5.9 3 45 A A H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 113.2 49.9 -58.4 -41.1 -30.9 4.2 -7.4 4 46 A D H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 111.0 49.3 -61.4 -40.7 -29.7 5.4 -10.8 5 47 A R H X S+ 0 0 132 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.914 111.1 48.8 -67.0 -41.6 -26.3 6.2 -9.4 6 48 A F H X S+ 0 0 2 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.914 111.0 49.8 -64.8 -40.9 -25.9 2.8 -7.8 7 49 A A H X S+ 0 0 21 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.901 108.4 54.1 -62.8 -39.7 -27.0 1.1 -11.1 8 50 A E H X S+ 0 0 59 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.909 107.6 50.9 -58.9 -42.1 -24.5 3.2 -13.0 9 51 A L H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.906 105.8 54.9 -64.6 -39.9 -21.8 1.9 -10.5 10 52 A E H X>S+ 0 0 18 -4,-2.1 5,-2.2 1,-0.2 4,-0.6 0.926 111.0 45.1 -57.5 -43.8 -22.8 -1.7 -11.1 11 53 A R H ><5S+ 0 0 174 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.919 111.9 52.8 -66.6 -39.4 -22.4 -1.2 -14.9 12 54 A R H 3<5S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 121.3 30.2 -63.0 -38.5 -19.0 0.6 -14.4 13 55 A Y H 3<5S- 0 0 36 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.301 103.0-122.0-106.7 8.2 -17.5 -2.2 -12.2 14 56 A D T <<5S+ 0 0 99 -3,-0.7 227,-0.3 -4,-0.6 2,-0.3 0.946 73.2 130.9 46.0 56.9 -19.4 -5.1 -13.8 15 57 A A < - 0 0 17 -5,-2.2 2,-0.5 -6,-0.2 224,-0.2 -0.786 67.1-122.9-136.0 164.8 -20.7 -5.7 -10.3 16 58 A R E -A 238 0A 60 222,-2.7 222,-1.8 -2,-0.3 2,-0.4 -0.986 35.4-163.6-110.4 127.8 -23.6 -6.4 -8.1 17 59 A L E -A 237 0A 0 -2,-0.5 2,-0.4 220,-0.2 220,-0.2 -0.934 10.9-170.8-119.0 137.0 -23.9 -3.7 -5.4 18 60 A G E +A 236 0A 0 218,-3.0 218,-2.8 -2,-0.4 2,-0.4 -0.987 9.1 178.0-127.4 134.6 -25.9 -3.8 -2.1 19 61 A V E +AB 235 32A 0 13,-2.8 13,-2.4 -2,-0.4 2,-0.3 -0.999 6.0 174.3-137.1 135.7 -26.4 -0.8 0.1 20 62 A Y E +AB 234 31A 21 214,-2.2 214,-2.5 -2,-0.4 11,-0.2 -0.965 8.5 172.0-143.0 132.4 -28.3 -0.2 3.4 21 63 A V E - B 0 30A 1 9,-2.4 9,-2.2 -2,-0.3 212,-0.2 -0.975 35.5-126.9-126.3 116.6 -28.5 2.8 5.7 22 64 A P - 0 0 4 0, 0.0 210,-0.2 0, 0.0 5,-0.1 -0.217 32.4 -93.9 -60.9 153.1 -31.1 2.4 8.4 23 65 A A - 0 0 58 6,-0.1 5,-0.2 1,-0.1 2,-0.2 -0.308 47.1-174.2 -60.8 147.7 -33.7 5.1 8.9 24 66 A T - 0 0 45 3,-2.3 -1,-0.1 -3,-0.1 5,-0.1 -0.555 46.3 -62.1-124.0-165.4 -33.0 7.8 11.5 25 67 A G S S+ 0 0 82 1,-0.2 -2,-0.1 -2,-0.2 3,-0.0 0.876 130.8 3.9 -43.8 -49.3 -34.7 10.8 13.0 26 68 A T S S+ 0 0 134 2,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.286 115.5 81.3-131.7 4.6 -35.1 12.6 9.8 27 69 A T - 0 0 32 -5,-0.1 -3,-2.3 3,-0.0 3,-0.1 -0.967 67.8-131.3-121.1 136.1 -33.7 10.4 7.0 28 70 A A - 0 0 82 -2,-0.4 -2,-0.1 -5,-0.2 -3,-0.0 -0.377 44.5 -85.7 -67.6 155.7 -35.5 7.5 5.3 29 71 A A - 0 0 31 -2,-0.1 2,-0.5 -6,-0.1 -1,-0.1 -0.358 37.7-136.6 -57.5 141.4 -33.6 4.3 5.0 30 72 A I E +B 21 0A 21 -9,-2.2 -9,-2.4 -3,-0.1 2,-0.4 -0.933 32.7 174.1 -99.0 128.0 -31.3 4.1 2.0 31 73 A E E +B 20 0A 115 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.986 19.8 163.6-142.2 130.4 -31.7 0.7 0.3 32 74 A Y E S-B 19 0A 31 -13,-2.4 -13,-2.8 -2,-0.4 -2,-0.0 -0.929 88.4 -24.1-144.0 117.9 -30.3 -0.8 -2.9 33 75 A R S > S+ 0 0 95 -2,-0.3 3,-1.5 -15,-0.2 125,-0.1 0.808 91.6 154.0 48.2 33.1 -30.5 -4.6 -3.3 34 76 A A T 3 + 0 0 6 1,-0.3 124,-2.6 -15,-0.2 125,-0.4 0.689 63.5 45.4 -71.5 -19.7 -30.5 -4.4 0.5 35 77 A D T 3 S+ 0 0 109 122,-0.2 2,-0.3 121,-0.1 -1,-0.3 0.327 88.7 104.7-105.2 6.1 -32.3 -7.8 1.0 36 78 A E S < S- 0 0 64 -3,-1.5 2,-0.2 1,-0.1 122,-0.2 -0.646 78.1-109.5 -82.3 145.6 -30.3 -9.7 -1.4 37 79 A R + 0 0 68 -2,-0.3 2,-0.3 119,-0.2 119,-0.2 -0.521 38.2 175.4 -74.6 139.3 -27.7 -12.1 0.1 38 80 A F E -E 155 0B 3 117,-2.4 117,-2.6 -2,-0.2 200,-0.0 -0.976 41.2 -91.6-135.8 148.2 -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 -0.359 26.3-140.7 -55.2 134.9 -21.1 -13.2 1.4 40 82 A F > + 0 0 0 113,-2.5 3,-1.8 95,-0.2 -1,-0.2 0.887 34.5 173.0 -53.6 -44.8 -20.1 -11.9 4.8 41 83 A C G > S- 0 0 0 112,-0.5 3,-1.4 102,-0.4 4,-0.1 -0.295 71.4 -23.1 44.7-143.3 -16.4 -12.4 4.0 42 84 A S G > S+ 0 0 14 1,-0.3 3,-1.9 169,-0.2 4,-0.3 0.515 118.9 91.2 -74.4 -1.6 -14.5 -10.8 6.9 43 85 A T G X S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 -1,-0.3 0.776 73.2 72.3 -62.0 -21.8 -17.3 -8.5 8.0 44 86 A F G <> S+ 0 0 1 -3,-1.4 4,-2.1 1,-0.3 -1,-0.3 0.727 78.4 78.0 -64.6 -18.5 -18.5 -11.2 10.3 45 87 A K H <> S+ 0 0 6 -3,-1.9 4,-2.2 2,-0.2 -1,-0.3 0.774 85.7 59.9 -66.1 -26.8 -15.5 -10.5 12.6 46 88 A A H <> S+ 0 0 0 -3,-1.4 4,-2.1 -4,-0.3 -1,-0.2 0.987 111.6 36.5 -65.7 -57.2 -17.2 -7.5 14.0 47 89 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.818 113.3 61.7 -65.0 -24.0 -20.2 -9.3 15.5 48 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.941 105.4 45.2 -61.4 -47.8 -17.8 -12.2 16.3 49 91 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.919 111.9 53.2 -62.3 -41.2 -15.8 -10.0 18.6 50 92 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.920 108.5 50.1 -56.5 -45.2 -19.1 -8.7 20.0 51 93 A A H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.924 112.3 46.0 -61.2 -46.0 -20.2 -12.3 20.7 52 94 A V H X S+ 0 0 1 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.921 114.5 47.9 -65.5 -41.8 -17.0 -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 0.950 114.3 47.0 -60.2 -48.4 -17.1 -10.0 24.5 54 96 A H H 3< S+ 0 0 94 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 109.2 54.7 -60.7 -38.5 -20.7 -10.6 25.5 55 97 A Q H 3< S+ 0 0 121 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.674 110.7 40.0 -72.8 -19.0 -20.1 -14.2 26.4 56 98 A N S << S- 0 0 34 -4,-0.9 5,-0.1 -3,-0.8 0, 0.0 -0.858 88.9 -88.1-134.8 157.8 -17.4 -13.6 28.9 57 99 A P > - 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.304 49.8-108.3 -57.9 154.7 -16.2 -11.4 31.8 58 100 A L G > S+ 0 0 63 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.863 117.0 62.2 -57.9 -37.8 -14.1 -8.5 30.5 59 101 A T G > S+ 0 0 99 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.524 76.0 87.2 -75.5 -1.1 -10.9 -9.9 31.8 60 102 A H G X S+ 0 0 32 -3,-2.0 3,-1.9 1,-0.3 29,-0.4 0.773 74.5 77.3 -57.5 -23.5 -11.3 -13.0 29.6 61 103 A L G < S+ 0 0 20 -3,-2.0 29,-2.7 -4,-0.3 30,-0.4 0.758 88.4 56.0 -54.4 -23.4 -9.4 -10.5 27.3 62 104 A D G < S+ 0 0 111 -3,-1.8 2,-0.3 27,-0.2 -1,-0.3 0.482 78.3 116.2 -94.7 -1.5 -6.3 -11.4 29.2 63 105 A K < - 0 0 114 -3,-1.9 26,-2.2 -4,-0.2 2,-0.4 -0.507 64.9-130.0 -70.9 128.6 -6.5 -15.2 28.6 64 106 A L E -F 88 0C 96 -2,-0.3 2,-0.5 24,-0.2 24,-0.3 -0.668 19.6-158.7 -83.5 126.2 -3.6 -16.5 26.6 65 107 A I E -F 87 0C 27 22,-2.7 22,-2.4 -2,-0.4 2,-0.3 -0.922 3.7-156.1-107.8 129.8 -4.5 -18.6 23.6 66 108 A T + 0 0 108 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.761 18.9 162.7-102.9 151.1 -2.0 -21.0 22.1 67 109 A Y - 0 0 11 16,-0.6 2,-0.2 -2,-0.3 19,-0.1 -0.906 20.8-130.1-156.8 178.5 -2.0 -22.4 18.5 68 110 A T > - 0 0 76 -2,-0.3 3,-1.9 1,-0.0 4,-0.4 -0.687 35.8 -84.3-135.4 178.9 0.3 -24.1 16.0 69 111 A S G > S+ 0 0 98 1,-0.3 3,-1.6 -2,-0.2 -1,-0.0 0.875 121.3 57.5 -55.3 -40.9 1.8 -24.0 12.4 70 112 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.516 94.1 69.0 -75.2 0.3 -1.2 -25.9 11.0 71 113 A D G < S+ 0 0 38 -3,-1.9 2,-1.1 1,-0.1 -1,-0.3 0.580 76.5 88.4 -88.7 -12.6 -3.6 -23.2 12.3 72 114 A I < + 0 0 56 -3,-1.6 -1,-0.1 -4,-0.4 3,-0.1 -0.734 44.9 135.3 -90.6 98.6 -2.3 -20.7 9.8 73 115 A R + 0 0 125 -2,-1.1 2,-0.3 2,-0.1 -1,-0.2 0.201 61.6 29.5-128.4 6.9 -4.6 -21.3 6.9 74 116 A S S S- 0 0 31 -3,-0.1 29,-0.2 66,-0.1 2,-0.1 -0.948 106.4 -50.5-162.8 168.0 -5.6 -17.9 5.8 75 117 A I + 0 0 143 -2,-0.3 27,-2.9 27,-0.1 28,-0.2 -0.365 61.2 161.7 -57.0 122.4 -4.3 -14.3 5.6 76 118 A S > + 0 0 8 25,-0.3 4,-2.3 26,-0.2 5,-0.2 -0.579 13.3 174.6-150.2 70.9 -3.2 -13.6 9.2 77 119 A P T 4 S+ 0 0 46 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.788 84.8 29.5 -60.7 -30.9 -0.8 -10.6 9.4 78 120 A V T >4 S+ 0 0 30 2,-0.1 3,-1.5 17,-0.1 4,-0.3 0.892 118.3 50.8 -94.3 -50.9 -0.7 -10.7 13.2 79 121 A A G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.816 94.8 73.2 -62.0 -31.8 -1.2 -14.3 14.2 80 122 A Q G 3< S+ 0 0 111 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.832 100.3 48.2 -46.4 -33.3 1.6 -15.5 11.7 81 123 A Q G < S+ 0 0 129 -3,-1.5 -1,-0.3 -5,-0.2 3,-0.2 0.544 105.8 54.5 -89.1 -6.2 4.1 -14.0 14.2 82 124 A H <> + 0 0 45 -3,-2.0 4,-3.0 -4,-0.3 -15,-0.2 0.103 59.3 117.7-126.6 24.0 2.8 -15.5 17.5 83 125 A V T 4 S+ 0 0 31 -3,-0.5 -16,-0.6 -4,-0.2 -1,-0.2 0.910 87.6 39.9 -54.4 -45.5 2.7 -19.2 17.1 84 126 A Q T 4 S+ 0 0 175 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.900 123.7 36.9 -70.3 -46.6 5.3 -19.7 19.8 85 127 A T T 4 S- 0 0 83 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.785 98.2-142.5 -77.3 -35.0 4.0 -17.0 22.2 86 128 A G < - 0 0 3 -4,-3.0 2,-0.4 -7,-0.1 -20,-0.2 -0.095 16.5-103.5 80.0 168.3 0.3 -17.4 21.7 87 129 A M E -F 65 0C 0 -22,-2.4 -22,-2.7 -4,-0.1 2,-0.1 -0.970 23.3-118.5-130.3 142.2 -2.0 -14.4 21.7 88 130 A T E > -F 64 0C 35 -2,-0.4 4,-2.7 -24,-0.3 -24,-0.2 -0.391 32.7-109.1 -72.2 158.9 -4.4 -13.2 24.3 89 131 A I H > S+ 0 0 0 -26,-2.2 4,-2.6 -29,-0.4 -28,-0.2 0.908 122.7 53.0 -52.3 -41.8 -8.1 -13.0 23.6 90 132 A G H > S+ 0 0 12 -29,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 108.5 48.6 -61.6 -44.8 -7.8 -9.2 23.5 91 133 A Q H > S+ 0 0 81 -30,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.877 110.8 51.8 -59.7 -39.8 -4.9 -9.4 21.0 92 134 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.921 110.5 47.6 -64.4 -43.1 -7.0 -11.8 18.9 93 135 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.931 112.5 49.4 -59.9 -46.6 -10.0 -9.4 18.9 94 136 A D H X S+ 0 0 33 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.943 115.0 43.5 -58.3 -49.5 -7.7 -6.5 18.0 95 137 A A H X S+ 0 0 1 -4,-2.6 6,-1.9 1,-0.2 4,-1.8 0.897 111.5 54.2 -66.3 -40.8 -6.1 -8.5 15.1 96 138 A A H < S+ 0 0 0 -4,-2.8 4,-0.2 4,-0.3 -1,-0.2 0.913 120.5 31.1 -61.8 -41.3 -9.4 -9.9 13.8 97 139 A I H < S+ 0 0 0 -4,-2.2 112,-0.3 -5,-0.2 -2,-0.2 0.936 126.8 37.0 -80.9 -50.1 -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,-0.3 0.761 134.6 19.4 -83.8 -27.5 -8.0 -4.2 12.7 99 141 A Y S < S- 0 0 91 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.2 0.275 97.5-123.6-120.1 4.0 -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 -0.194 51.9-177.7 -68.5 155.3 -27.6 -14.2 8.2 135 177 A R - 0 0 81 19,-2.6 2,-0.5 16,-0.1 19,-0.3 -0.980 17.8-158.7-152.0 139.6 -25.7 -17.5 8.5 136 178 A L + 0 0 4 -17,-0.3 -13,-0.2 -2,-0.3 -14,-0.1 -0.990 20.7 161.3-117.3 129.3 -22.1 -18.5 9.0 137 179 A D + 0 0 63 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.555 59.9 27.3-120.6 -20.9 -21.3 -22.1 7.9 138 180 A A - 0 0 24 -19,-0.1 -1,-0.2 5,-0.0 2,-0.1 -0.901 65.1-133.2-140.2 164.1 -17.5 -22.2 7.6 139 181 A E > - 0 0 49 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.374 56.4 -17.1-106.2-166.8 -14.5 -20.5 9.0 140 182 A A T 4 S+ 0 0 6 -38,-0.3 -1,-0.1 1,-0.3 -66,-0.1 -0.582 122.6 11.5 -75.2 141.7 -11.4 -19.1 7.2 141 183 A P T >4 S+ 0 0 21 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -1.000 125.7 53.9 -90.6 -6.5 -10.5 -19.6 4.4 142 184 A E G >4 S+ 0 0 96 1,-0.2 3,-2.0 -3,-0.2 4,-0.3 0.776 91.5 72.5 -61.9 -29.5 -13.6 -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 0.728 96.1 51.4 -66.8 -15.5 -16.1 -18.8 4.1 144 186 A N G < S+ 0 0 26 -3,-1.4 69,-1.4 -5,-0.2 -1,-0.3 0.437 101.1 65.6 -94.0 0.6 -15.0 -16.5 1.3 145 187 A R < + 0 0 110 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.348 60.3 125.9-109.7 0.2 -15.3 -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 -0.960 24.5-113.9-133.8 157.2 -27.6 -8.9 3.6 157 199 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.929 120.0 49.2 -55.8 -41.0 -26.8 -5.2 3.7 158 200 A H H > S+ 0 0 46 -124,-2.6 4,-2.0 2,-0.2 5,-0.2 0.947 112.8 45.7 -61.1 -51.1 -30.1 -4.8 5.6 159 201 A A H > S+ 0 0 9 -125,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.935 114.7 44.9 -62.4 -47.5 -29.4 -7.6 8.1 160 202 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.859 110.1 55.4 -70.9 -31.8 -25.9 -6.7 8.9 161 203 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.4 -1,-0.2 0.914 108.4 48.5 -64.2 -41.1 -26.7 -2.9 9.2 162 204 A L H X S+ 0 0 62 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.888 112.9 48.5 -67.4 -36.2 -29.3 -3.7 11.9 163 205 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.964 112.8 46.8 -63.8 -51.5 -26.9 -5.9 13.7 164 206 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.5 0.881 108.4 56.5 -62.1 -37.6 -24.1 -3.3 13.7 165 207 A Q H X>S+ 0 0 60 -4,-2.6 5,-2.3 1,-0.2 4,-2.1 0.932 109.2 46.0 -57.2 -47.6 -26.6 -0.6 14.8 166 208 A Q H <5S+ 0 0 65 -4,-1.8 6,-1.7 3,-0.2 7,-0.4 0.884 114.6 48.2 -63.8 -37.0 -27.5 -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 0.884 126.7 22.0 -70.6 -41.2 -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 0.842 138.4 22.2 -98.5 -41.9 -22.4 0.1 18.3 169 211 A L T <5S+ 0 0 58 -4,-2.1 -3,-0.2 -5,-0.5 -4,-0.1 0.852 118.9 51.2 -97.6 -39.9 -25.4 2.5 18.8 170 212 A G S - 0 0 53 0, 0.0 4,-2.9 0, 0.0 3,-0.4 -0.356 46.4 -98.6 -65.0 158.0 -22.9 -3.1 28.0 175 217 A P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.827 120.7 51.7 -52.3 -39.1 -21.1 0.2 27.7 176 218 A D H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 -3,-0.0 0.929 115.6 40.1 -66.9 -41.8 -17.6 -1.1 28.6 177 219 A K H > S+ 0 0 28 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.878 112.9 56.5 -72.1 -36.6 -17.7 -3.9 26.0 178 220 A R H X S+ 0 0 51 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.900 105.7 51.4 -59.0 -41.1 -19.4 -1.6 23.5 179 221 A A H X S+ 0 0 48 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.876 106.8 53.4 -67.1 -38.1 -16.5 0.8 23.8 180 222 A L H X S+ 0 0 46 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.951 112.8 43.2 -60.4 -48.7 -13.9 -2.0 23.2 181 223 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.940 114.4 50.4 -62.0 -46.6 -15.7 -3.0 20.0 182 224 A T H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.916 110.9 48.7 -57.8 -45.9 -16.1 0.6 18.9 183 225 A D H X S+ 0 0 89 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.885 109.2 52.0 -66.9 -37.4 -12.5 1.5 19.5 184 226 A W H < S+ 0 0 22 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.941 113.3 44.7 -64.0 -43.0 -11.2 -1.5 17.6 185 227 A M H >< S+ 0 0 1 -4,-2.3 22,-1.7 1,-0.2 3,-1.4 0.873 110.1 55.9 -68.2 -33.8 -13.3 -0.6 14.6 186 228 A A H 3< S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.0 45.9 -64.1 -30.7 -12.2 3.0 14.9 187 229 A R T 3< S+ 0 0 127 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.137 81.9 144.8 -99.8 15.6 -8.6 1.9 14.7 188 230 A N < - 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