==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-AUG-11 3T9M . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR H.DELBRUCK,K.M.V.HOFFMANN . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 20.9 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 1 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 1 3 1 0 2 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 . 1 0 0 1 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 41 A A 0 0 103 0, 0.0 17,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.5 27.5 64.1 28.9 2 42 A G + 0 0 27 1,-0.2 16,-2.6 15,-0.1 17,-0.8 0.860 360.0 20.5 -63.7 -37.0 30.6 65.0 26.8 3 43 A M E +A 17 0A 17 14,-0.2 2,-0.3 15,-0.2 -1,-0.2 -0.998 68.7 175.6-139.8 133.0 30.0 61.9 24.6 4 44 A S E -A 16 0A 37 12,-1.4 12,-2.0 -2,-0.4 2,-0.4 -0.983 15.7-156.5-136.7 154.0 26.9 59.8 23.9 5 45 A L E +A 15 0A 33 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.983 19.9 175.6-132.5 118.1 26.1 57.0 21.6 6 46 A T E -A 14 0A 80 8,-2.6 8,-3.2 -2,-0.4 2,-0.1 -0.979 31.7-116.1-132.7 133.2 22.4 56.4 20.7 7 47 A Q E +A 13 0A 113 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.440 27.7 177.1 -64.1 135.6 20.8 53.9 18.3 8 48 A V E S- 0 0 47 4,-3.4 2,-0.3 1,-0.2 5,-0.2 0.779 70.8 -22.8 -99.2 -52.8 19.0 55.6 15.4 9 49 A S E > S-A 12 0A 51 3,-1.9 3,-2.6 1,-0.2 -1,-0.2 -0.880 105.1 -44.7-163.4 125.1 17.9 52.5 13.5 10 50 A G T 3 S- 0 0 38 -2,-0.3 -2,-0.2 1,-0.3 -1,-0.2 -0.220 128.0 -7.8 50.3-128.7 19.2 49.0 13.5 11 51 A P T 3 S+ 0 0 39 0, 0.0 18,-2.4 0, 0.0 2,-0.6 0.465 113.4 102.1 -75.7 -2.1 23.0 49.0 13.3 12 52 A V E < +AB 9 28A 0 -3,-2.6 -4,-3.4 16,-0.2 -3,-1.9 -0.777 49.6 176.6 -91.0 119.6 23.1 52.8 12.7 13 53 A Y E -AB 7 27A 38 14,-2.9 14,-2.0 -2,-0.6 2,-0.4 -0.849 21.4-136.8-121.9 155.2 23.9 54.9 15.8 14 54 A V E -AB 6 26A 26 -8,-3.2 -8,-2.6 -2,-0.3 2,-0.5 -0.921 11.5-145.0-115.3 135.9 24.4 58.7 16.3 15 55 A V E -AB 5 25A 0 10,-3.6 10,-1.3 -2,-0.4 2,-0.7 -0.888 4.4-159.8 -97.6 128.8 27.2 60.2 18.3 16 56 A E E -AB 4 24A 71 -12,-2.0 -12,-1.4 -2,-0.5 2,-0.7 -0.937 12.1-174.9-107.1 108.4 26.6 63.4 20.3 17 57 A D E +AB 3 23A 0 6,-3.2 6,-2.5 -2,-0.7 -14,-0.2 -0.897 11.6 174.1-109.0 103.8 29.9 64.9 21.0 18 58 A N + 0 0 63 -16,-2.6 4,-0.2 -2,-0.7 -15,-0.2 0.378 40.4 117.7 -92.3 2.0 29.5 68.0 23.3 19 59 A Y S S- 0 0 93 -17,-0.8 2,-0.5 2,-0.1 22,-0.1 -0.420 90.7 -20.3 -64.1 144.6 33.3 68.6 23.7 20 60 A Y S S- 0 0 73 2,-0.1 2,-0.4 -2,-0.1 -2,-0.0 -0.333 140.5 -0.3 61.0-104.3 34.4 72.0 22.3 21 67 A V S S- 0 0 76 -2,-0.5 -2,-0.1 91,-0.0 20,-0.1 -0.985 97.6 -96.1-116.3 135.5 31.6 72.8 19.9 22 68 A Q + 0 0 33 -2,-0.4 2,-0.3 -4,-0.2 183,-0.3 -0.099 51.3 171.0 -52.0 134.7 28.8 70.3 19.7 23 69 A E E -B 17 0A 0 -6,-2.5 -6,-3.2 181,-0.2 2,-0.4 -0.988 24.6-141.4-143.2 150.5 29.1 67.8 16.8 24 70 A N E +B 16 0A 10 179,-2.9 2,-0.2 -2,-0.3 -8,-0.2 -0.944 22.3 172.4-111.0 136.7 27.3 64.7 15.7 25 71 A S E -B 15 0A 0 -10,-1.3 -10,-3.6 -2,-0.4 2,-0.3 -0.728 22.7-123.6-126.5 176.6 29.1 61.7 14.2 26 72 A M E -BC 14 37A 0 11,-2.3 11,-3.2 -12,-0.2 2,-0.4 -0.893 11.3-160.6-126.6 159.2 27.9 58.2 13.3 27 73 A V E -BC 13 36A 0 -14,-2.0 -14,-2.9 -2,-0.3 2,-0.5 -0.996 5.4-162.2-136.5 131.1 28.7 54.6 14.2 28 74 A Y E -BC 12 35A 18 7,-3.0 7,-2.7 -2,-0.4 2,-1.0 -0.973 9.0-151.9-115.9 118.2 27.7 51.6 12.1 29 75 A F E - C 0 34A 25 -18,-2.4 5,-0.2 -2,-0.5 2,-0.1 -0.787 28.9-178.2 -92.2 101.7 27.9 48.2 13.8 30 76 A G - 0 0 10 3,-2.2 29,-0.1 -2,-1.0 104,-0.0 -0.288 41.3 -99.7 -99.8 179.0 28.5 45.8 11.0 31 77 A A S S+ 0 0 71 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.896 122.5 28.0 -66.1 -41.3 28.9 42.0 10.6 32 78 A K S S- 0 0 147 1,-0.3 2,-0.3 27,-0.1 -1,-0.2 0.613 131.3 -49.8 -96.1 -16.2 32.7 42.1 10.4 33 79 A G - 0 0 0 26,-0.2 -3,-2.2 28,-0.0 2,-0.4 -0.991 66.6 -53.9 165.5-172.9 33.2 45.3 12.5 34 80 A V E -Cd 29 61A 0 26,-2.8 28,-2.0 -2,-0.3 29,-1.3 -0.768 29.6-158.5-104.8 133.9 32.5 48.9 13.3 35 81 A T E -Cd 28 63A 0 -7,-2.7 -7,-3.0 -2,-0.4 2,-0.5 -0.966 9.8-159.1-107.1 122.7 32.6 51.9 10.9 36 82 A V E -Cd 27 64A 0 27,-2.7 29,-2.9 -2,-0.5 2,-0.7 -0.882 1.8-157.8-100.4 131.5 33.0 55.3 12.6 37 83 A V E S+Cd 26 65A 0 -11,-3.2 -11,-2.3 -2,-0.5 29,-0.1 -0.901 73.5 19.9-114.1 102.0 31.9 58.3 10.5 38 84 A G S S- 0 0 0 27,-2.5 28,-0.2 -2,-0.7 -1,-0.2 0.398 71.8-133.6 100.6 117.5 33.6 61.3 11.9 39 85 A A - 0 0 0 34,-2.4 34,-0.2 1,-0.1 35,-0.2 0.581 44.5-128.0 -75.5 -9.1 36.8 60.9 14.1 40 86 A T - 0 0 0 32,-0.6 36,-1.9 1,-0.2 37,-0.2 0.004 38.8 -61.2 68.7 174.4 35.5 63.4 16.7 41 87 A W S S- 0 0 16 34,-0.2 -1,-0.2 33,-0.1 33,-0.1 0.755 106.0 -0.2 -63.7 -42.8 37.5 66.4 18.0 42 88 A T S > S- 0 0 4 -3,-0.2 4,-2.5 33,-0.1 34,-0.3 -0.927 73.2 -98.5-144.6 165.0 40.6 64.9 19.6 43 89 A P H > S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.858 123.7 52.9 -55.4 -32.4 42.4 61.6 20.3 44 90 A D H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.876 108.7 46.6 -74.4 -36.8 41.0 61.9 23.9 45 91 A T H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 110.6 55.6 -69.2 -37.6 37.3 62.4 22.7 46 92 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.939 104.9 52.2 -55.1 -49.3 37.9 59.5 20.3 47 93 A R H X S+ 0 0 97 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.914 108.8 51.0 -53.0 -42.7 38.9 57.3 23.3 48 94 A E H X S+ 0 0 64 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.901 110.7 47.2 -66.8 -39.2 35.7 58.2 25.0 49 95 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.923 108.7 56.2 -63.8 -43.1 33.6 57.3 22.0 50 96 A H H X S+ 0 0 22 -4,-3.0 4,-2.3 1,-0.3 -2,-0.2 0.915 103.6 53.5 -56.8 -44.7 35.6 54.0 21.7 51 97 A K H X S+ 0 0 107 -4,-2.3 4,-0.5 1,-0.2 -1,-0.3 0.868 109.6 48.6 -58.6 -36.8 34.6 53.1 25.3 52 98 A L H >X S+ 0 0 28 -4,-1.3 3,-0.7 -3,-0.3 4,-0.6 0.875 108.6 53.8 -71.2 -36.3 30.9 53.7 24.3 53 99 A I H >X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 3,-1.5 0.924 102.0 58.3 -60.6 -44.0 31.3 51.5 21.2 54 100 A K H 3< S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.647 96.5 63.0 -65.0 -17.6 32.7 48.6 23.2 55 102 A R H << S+ 0 0 202 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.777 113.8 33.8 -73.7 -29.7 29.5 48.5 25.3 56 103 A V H << S+ 0 0 69 -3,-1.5 2,-0.3 -4,-0.6 -2,-0.2 0.838 134.3 1.6 -92.6 -41.7 27.5 47.7 22.2 57 104 A S < - 0 0 25 -4,-2.7 -1,-0.3 2,-0.1 -23,-0.0 -0.995 39.5-161.0-149.7 140.8 30.1 45.5 20.3 58 105 A R + 0 0 201 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.395 59.0 123.2 -95.2 -1.5 33.6 44.2 20.8 59 106 A K S S- 0 0 99 1,-0.1 -25,-0.2 -29,-0.1 -26,-0.2 -0.301 77.6 -84.3 -55.8 144.3 33.9 43.6 17.0 60 108 A P - 0 0 83 0, 0.0 -26,-2.8 0, 0.0 2,-0.8 -0.162 31.3-121.6 -56.4 143.7 36.9 45.4 15.6 61 109 A V E -d 34 0A 12 -28,-0.2 -26,-0.2 22,-0.2 3,-0.1 -0.827 34.9-176.7 -80.4 109.4 36.7 49.1 14.7 62 110 A L E - 0 0 55 -28,-2.0 24,-3.2 -2,-0.8 2,-0.3 0.855 54.1 -7.6 -81.5 -41.3 37.7 48.7 11.0 63 111 A E E -de 35 86A 24 -29,-1.3 -27,-2.7 22,-0.3 2,-0.4 -0.997 46.8-146.8-158.5 153.6 37.7 52.2 9.9 64 112 A V E -de 36 87A 0 22,-2.8 24,-2.8 -2,-0.3 2,-0.5 -0.988 23.9-141.0-121.6 135.1 37.0 55.9 10.7 65 113 A I E -de 37 88A 0 -29,-2.9 -27,-2.5 -2,-0.4 2,-0.9 -0.867 2.2-149.4-101.2 122.7 35.8 58.2 7.9 66 114 A N - 0 0 0 22,-2.7 24,-0.4 -2,-0.5 8,-0.1 -0.848 11.6-169.3 -82.6 102.3 37.0 61.9 7.8 67 115 A T S S- 0 0 6 -2,-0.9 85,-2.3 6,-0.2 2,-0.3 0.633 74.0 -1.4 -76.8 -16.4 34.0 63.4 6.2 68 116 A N S S- 0 0 5 83,-0.2 25,-0.1 2,-0.2 -1,-0.1 -0.920 80.6-101.6-151.0-177.7 36.1 66.6 5.8 69 117 A Y S S+ 0 0 27 -2,-0.3 5,-0.1 -3,-0.1 35,-0.1 0.481 79.3 119.1 -83.3 -1.7 39.6 67.8 6.7 70 118 A H S >> S- 0 0 41 1,-0.1 4,-2.0 3,-0.1 3,-1.2 -0.128 76.8-112.5 -71.5 159.7 38.4 69.8 9.7 71 119 A T H 3> S+ 0 0 4 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.838 116.2 55.9 -59.1 -34.0 39.5 69.2 13.3 72 120 A D H 34 S+ 0 0 9 1,-0.2 -32,-0.6 2,-0.2 -1,-0.3 0.683 116.0 36.7 -76.9 -14.3 36.0 68.1 14.3 73 121 A R H <4 S+ 0 0 7 -3,-1.2 -34,-2.4 -34,-0.2 -6,-0.2 0.610 133.3 22.7-103.5 -18.7 36.0 65.4 11.7 74 122 A A H >< S+ 0 0 2 -4,-2.0 3,-2.0 -36,-0.2 4,-0.2 0.440 88.9 97.9-126.9 -8.8 39.7 64.3 11.8 75 123 A G T >< S+ 0 0 5 -4,-2.0 3,-0.6 -5,-0.3 -34,-0.2 0.854 84.4 55.0 -59.1 -34.4 41.1 65.3 15.3 76 124 A G T >> S+ 0 0 0 -36,-1.9 4,-1.9 -34,-0.3 3,-1.0 0.498 76.0 105.5 -75.4 -4.6 40.6 61.8 16.7 77 125 A N H <> S+ 0 0 2 -3,-2.0 4,-2.8 1,-0.3 5,-0.2 0.814 72.1 58.4 -47.4 -44.0 42.7 60.2 13.9 78 126 A A H <> S+ 0 0 46 -3,-0.6 4,-1.7 -4,-0.2 -1,-0.3 0.896 109.5 45.6 -56.5 -40.7 45.7 59.5 16.1 79 127 A Y H <> S+ 0 0 28 -3,-1.0 4,-1.1 -4,-0.2 -2,-0.2 0.955 111.4 50.8 -65.7 -51.8 43.6 57.4 18.5 80 128 A W H ><>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-0.8 0.901 110.3 49.4 -56.4 -43.0 41.8 55.5 15.7 81 129 A K H ><5S+ 0 0 78 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.895 104.1 61.5 -61.4 -37.5 45.1 54.6 14.1 82 130 A S H 3<5S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.729 105.0 46.5 -60.6 -26.0 46.4 53.5 17.6 83 131 A I T <<5S- 0 0 59 -4,-1.1 -1,-0.3 -3,-0.8 -22,-0.2 0.316 123.7-103.8 -99.3 7.9 43.6 50.8 17.7 84 133 A G T < 5S+ 0 0 65 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.583 71.2 146.7 85.9 11.2 44.4 49.6 14.2 85 134 A A < - 0 0 4 -5,-2.1 -22,-0.3 -6,-0.2 -1,-0.3 -0.612 50.4-117.7 -78.1 139.0 41.4 51.3 12.5 86 135 A K E -e 63 0A 107 -24,-3.2 -22,-2.8 -2,-0.3 2,-0.6 -0.476 18.0-135.3 -66.7 146.4 41.9 52.5 9.0 87 136 A V E -e 64 0A 0 -24,-0.2 37,-2.3 -2,-0.1 38,-2.2 -0.957 29.5-169.0-106.8 117.2 41.5 56.3 8.4 88 137 A V E +ef 65 125A 2 -24,-2.8 -22,-2.7 -2,-0.6 2,-0.3 -0.800 17.3 142.6-113.0 139.6 39.5 56.8 5.3 89 138 A S E - f 0 126A 0 36,-2.1 38,-2.8 -2,-0.3 2,-0.1 -0.971 49.1 -89.4-158.7 173.6 38.7 59.9 3.2 90 139 A T E > - f 0 127A 11 -24,-0.4 4,-2.1 -2,-0.3 38,-0.2 -0.449 44.8-109.8 -76.8 163.7 38.3 61.2 -0.3 91 140 A R H > S+ 0 0 128 36,-2.6 4,-2.6 1,-0.2 5,-0.2 0.886 119.4 55.5 -63.5 -36.7 41.4 62.3 -2.2 92 141 A Q H > S+ 0 0 73 35,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.891 108.6 47.5 -64.2 -39.3 40.2 65.9 -1.9 93 142 A T H > S+ 0 0 0 57,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 112.9 48.5 -66.9 -42.5 39.9 65.7 1.8 94 143 A R H X S+ 0 0 63 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.923 113.6 45.9 -65.1 -47.3 43.4 64.0 2.2 95 144 A D H X S+ 0 0 72 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.900 114.6 47.8 -63.7 -42.8 45.1 66.6 0.0 96 145 A L H X S+ 0 0 32 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.867 110.4 52.8 -64.9 -38.8 43.4 69.5 1.8 97 146 A M H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.900 107.3 52.2 -63.2 -40.4 44.2 68.1 5.2 98 147 A K H < S+ 0 0 119 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.935 120.0 32.6 -63.4 -43.4 47.9 67.8 4.2 99 148 A S H < S+ 0 0 67 -4,-1.7 4,-0.2 1,-0.1 -2,-0.2 0.807 131.0 30.4 -83.2 -31.3 48.2 71.5 3.1 100 149 A D H X S+ 0 0 47 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.392 85.0 98.7-115.5 2.5 45.7 73.1 5.5 101 150 A W H X S+ 0 0 12 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.919 86.7 50.2 -59.3 -49.1 45.7 71.0 8.8 102 151 A A H > S+ 0 0 69 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.900 113.2 47.6 -53.5 -46.2 48.1 73.4 10.6 103 152 A E H > S+ 0 0 113 2,-0.2 4,-2.6 -4,-0.2 -2,-0.2 0.903 112.2 47.2 -66.3 -43.1 45.8 76.3 9.6 104 153 A I H X S+ 0 0 18 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.898 113.2 49.8 -68.7 -36.0 42.6 74.6 10.7 105 154 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.954 112.7 47.2 -60.6 -49.5 44.2 73.6 14.0 106 155 A A H X S+ 0 0 59 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.917 113.4 48.1 -57.8 -44.6 45.4 77.2 14.5 107 156 A F H X S+ 0 0 147 -4,-2.6 4,-1.2 2,-0.2 3,-0.2 0.921 111.0 51.6 -63.1 -41.9 41.9 78.6 13.6 108 157 A T H X S+ 0 0 13 -4,-2.5 4,-1.6 1,-0.2 3,-0.4 0.929 109.8 49.1 -59.2 -45.5 40.4 76.0 16.0 109 158 A R H < S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.739 99.4 67.6 -67.3 -29.6 42.7 77.1 18.9 110 159 A K H < S+ 0 0 181 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.931 116.4 24.4 -56.1 -49.1 41.9 80.8 18.3 111 160 A G H < S+ 0 0 64 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.621 132.2 42.5 -92.6 -15.8 38.2 80.4 19.4 112 161 A L >< + 0 0 41 -4,-1.6 3,-2.0 -5,-0.2 -1,-0.2 -0.743 64.8 177.9-131.4 80.8 38.9 77.3 21.6 113 162 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.713 80.2 59.4 -61.4 -21.6 42.1 78.0 23.5 114 163 A E T 3 S+ 0 0 181 2,-0.1 -5,-0.1 -94,-0.0 -2,-0.0 0.586 79.7 109.0 -79.3 -14.7 41.8 74.6 25.4 115 164 A Y S < S- 0 0 3 -3,-2.0 2,-0.1 -7,-0.2 -3,-0.1 -0.427 75.2-114.0 -66.3 135.9 41.9 72.7 22.1 116 165 A P - 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