==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-06 2GKL . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR G.GARAU,O.DIDEBERG . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 0 0 0 2 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 . 0 0 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 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 0 118 0, 0.0 3,-0.1 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 160.7 11.2 37.4 51.8 2 42 A G + 0 0 39 1,-0.2 16,-2.5 15,-0.1 2,-0.3 0.840 360.0 7.7 -57.8 -35.7 10.0 39.8 54.5 3 43 A M E S-A 17 0A 12 14,-0.2 2,-0.3 15,-0.1 -1,-0.2 -0.992 70.1-162.8-149.0 143.6 10.4 36.9 56.9 4 44 A S E -A 16 0A 33 12,-1.9 12,-2.2 -2,-0.3 2,-0.4 -0.932 7.0-158.9-127.4 152.1 11.8 33.4 56.6 5 45 A L E +A 15 0A 28 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.981 23.7 172.4-131.8 116.0 11.4 30.3 58.7 6 46 A T E -A 14 0A 79 8,-2.5 8,-3.2 -2,-0.4 2,-0.2 -0.988 33.2-113.5-136.5 133.1 14.2 27.8 58.3 7 47 A Q E +A 13 0A 109 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.399 28.5 173.5 -61.0 131.0 15.1 24.5 60.1 8 48 A V E S- 0 0 40 4,-2.9 2,-0.3 1,-0.3 5,-0.2 0.778 73.8 -11.7-103.5 -43.4 18.4 24.6 62.0 9 49 A S E > S-A 12 0A 49 3,-1.9 3,-2.7 1,-0.1 -1,-0.3 -0.858 105.9 -53.9-160.7 123.3 18.2 21.2 63.6 10 50 A G T 3 S- 0 0 39 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.207 125.7 -4.3 49.6-121.6 15.3 18.7 63.9 11 51 A P T 3 S+ 0 0 34 0, 0.0 18,-2.3 0, 0.0 2,-0.6 0.406 113.6 100.7 -80.4 1.0 12.3 20.6 65.4 12 52 A V E < +AB 9 28A 0 -3,-2.7 -4,-2.9 16,-0.2 -3,-1.9 -0.822 50.7 178.0 -98.2 119.7 14.3 23.8 66.0 13 53 A Y E -AB 7 27A 42 14,-3.0 14,-2.2 -2,-0.6 2,-0.4 -0.872 21.9-134.4-121.5 152.7 13.8 26.5 63.4 14 54 A V E -AB 6 26A 6 -8,-3.2 -8,-2.5 -2,-0.3 2,-0.6 -0.905 11.3-150.7-109.6 135.0 15.1 30.0 63.0 15 55 A V E -AB 5 25A 0 10,-3.3 10,-2.0 -2,-0.4 2,-0.7 -0.922 4.4-163.6-103.0 119.5 13.0 33.0 62.2 16 56 A E E -AB 4 24A 54 -12,-2.2 -12,-1.9 -2,-0.6 2,-0.8 -0.930 7.7-168.4-102.5 111.4 14.7 35.8 60.2 17 57 A D E -AB 3 23A 0 6,-2.8 6,-2.4 -2,-0.7 -14,-0.2 -0.893 7.7-176.4-104.8 103.2 12.4 38.8 60.6 18 58 A N + 0 0 67 -16,-2.5 4,-0.3 -2,-0.8 -15,-0.1 0.375 43.8 116.9 -88.2 2.6 13.6 41.5 58.1 19 59 A Y S S- 0 0 65 -17,-0.3 4,-0.2 2,-0.1 -2,-0.1 -0.411 87.7 -24.1 -66.7 144.3 11.1 44.1 59.2 20 60 A Y S S+ 0 0 72 -2,-0.1 2,-0.6 2,-0.1 3,-0.0 -0.168 139.2 0.2 56.5-127.5 12.4 47.3 60.7 21 67 A V S S- 0 0 82 1,-0.1 -2,-0.1 91,-0.0 -4,-0.1 -0.777 103.2-101.4 -81.9 119.3 16.0 46.4 62.2 22 68 A Q - 0 0 57 -2,-0.6 183,-0.5 -4,-0.3 2,-0.4 -0.114 47.5-174.4 -42.9 128.3 16.3 42.7 61.3 23 69 A E E -B 17 0A 0 -6,-2.4 -6,-2.8 -4,-0.2 2,-0.4 -0.966 13.9-145.0-126.0 145.4 15.6 40.5 64.4 24 70 A N E +B 16 0A 0 179,-2.2 -8,-0.2 -2,-0.4 2,-0.2 -0.938 23.2 167.3-113.1 135.4 16.0 36.7 64.6 25 71 A S E -B 15 0A 0 -10,-2.0 -10,-3.3 -2,-0.4 2,-0.3 -0.633 22.8-123.2-129.6-175.2 13.6 34.6 66.7 26 72 A M E -BC 14 37A 0 11,-2.5 11,-3.0 -12,-0.3 2,-0.3 -0.915 9.2-156.1-139.1 163.4 13.0 30.9 66.9 27 73 A V E -BC 13 36A 0 -14,-2.2 -14,-3.0 -2,-0.3 2,-0.5 -0.997 4.4-160.8-140.7 136.6 10.3 28.2 66.6 28 74 A Y E -BC 12 35A 19 7,-2.6 7,-2.5 -2,-0.3 2,-1.0 -0.986 10.4-151.0-120.2 117.7 10.1 24.7 68.1 29 75 A F E - C 0 34A 29 -18,-2.3 5,-0.2 -2,-0.5 2,-0.1 -0.803 28.2-176.8 -92.0 100.1 7.7 22.2 66.5 30 76 A G - 0 0 12 3,-1.9 29,-0.1 -2,-1.0 104,-0.0 -0.256 40.3 -98.7 -92.6-178.9 6.7 19.9 69.4 31 77 A A S S+ 0 0 82 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.873 121.9 27.8 -68.7 -38.5 4.6 16.8 69.7 32 78 A K S S- 0 0 147 1,-0.3 2,-0.3 27,-0.1 -1,-0.2 0.648 131.1 -43.7 -98.3 -18.7 1.5 18.7 71.0 33 79 A G - 0 0 0 26,-0.2 -3,-1.9 28,-0.0 2,-0.4 -0.987 67.0 -60.4 168.9-175.8 2.1 22.1 69.5 34 80 A V E -Cd 29 61A 0 26,-2.7 28,-2.3 -2,-0.3 29,-1.2 -0.753 28.2-158.3-104.0 135.8 4.4 24.9 68.6 35 81 A T E -Cd 28 63A 0 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.5 -0.964 10.6-155.2-108.8 127.8 6.5 27.1 70.9 36 82 A V E -Cd 27 64A 0 27,-2.8 29,-2.7 -2,-0.5 2,-0.7 -0.886 2.5-154.1-103.8 131.7 7.6 30.5 69.5 37 83 A V E S+Cd 26 65A 0 -11,-3.0 -11,-2.5 -2,-0.5 29,-0.1 -0.904 74.9 15.0-109.9 102.8 10.7 32.1 71.1 38 84 A G S S- 0 0 0 27,-2.2 -1,-0.2 -2,-0.7 28,-0.2 0.474 75.0-127.8 95.4 120.6 10.4 35.8 70.6 39 85 A A - 0 0 0 34,-2.5 34,-0.2 26,-0.2 35,-0.2 0.562 46.2-125.8 -76.5 -7.5 7.1 37.4 69.6 40 86 A T - 0 0 0 32,-0.5 36,-1.7 1,-0.1 35,-0.3 -0.023 37.0 -62.9 71.6 172.8 8.6 39.3 66.7 41 87 A W S S- 0 0 13 34,-0.2 -1,-0.1 33,-0.1 33,-0.1 0.807 104.7 -2.7 -63.1 -42.4 8.3 43.1 66.1 42 88 A T S > S- 0 0 3 -3,-0.1 4,-2.7 30,-0.1 34,-0.3 -0.942 73.1 -96.6-143.6 167.9 4.5 43.7 65.6 43 89 A P H > S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.879 125.5 53.8 -53.0 -35.3 1.2 42.0 65.5 44 90 A D H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.905 108.7 45.7 -66.1 -45.0 1.6 42.1 61.6 45 91 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 111.6 53.8 -67.7 -33.3 5.0 40.4 61.7 46 92 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.927 107.1 50.6 -64.1 -44.3 3.6 37.8 64.2 47 93 A R H X S+ 0 0 122 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.910 109.4 52.0 -59.1 -42.0 0.8 37.1 61.7 48 94 A E H X S+ 0 0 49 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.894 110.0 48.1 -61.0 -42.1 3.4 36.7 59.0 49 95 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 109.0 53.5 -62.6 -43.2 5.3 34.2 61.1 50 96 A H H X S+ 0 0 22 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.896 105.0 55.0 -59.6 -40.8 2.1 32.3 61.9 51 97 A K H X S+ 0 0 90 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.904 110.0 46.1 -58.0 -43.6 1.4 32.0 58.2 52 98 A L H >X S+ 0 0 49 -4,-1.6 4,-0.6 2,-0.2 3,-0.5 0.900 110.6 53.5 -64.3 -42.0 4.8 30.4 57.7 53 99 A I H >X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 3,-1.7 0.922 103.0 56.5 -58.6 -45.8 4.2 28.1 60.7 54 100 A K H 3< S+ 0 0 134 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.770 100.4 58.8 -66.3 -16.2 0.9 26.8 59.2 55 102 A R H << S+ 0 0 226 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.723 115.1 38.0 -79.3 -14.9 2.8 25.7 56.0 56 103 A V H << S+ 0 0 70 -3,-1.7 2,-0.3 -4,-0.6 -2,-0.2 0.816 126.9 9.9-100.3 -40.0 4.9 23.4 58.3 57 104 A S < - 0 0 24 -4,-2.5 -1,-0.3 2,-0.1 -23,-0.0 -0.997 43.6-151.4-147.5 145.8 2.5 22.1 60.9 58 105 A R + 0 0 236 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.469 67.2 114.5 -89.5 -2.4 -1.2 21.9 61.7 59 106 A K S S- 0 0 81 1,-0.1 -26,-0.2 -29,-0.1 -2,-0.1 -0.346 75.6 -96.9 -79.5 146.7 -0.5 21.8 65.4 60 108 A P - 0 0 77 0, 0.0 -26,-2.7 0, 0.0 2,-0.9 -0.277 29.3-114.4 -61.5 152.1 -1.7 24.8 67.6 61 109 A V E -d 34 0A 11 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.771 38.4-175.6 -76.3 111.1 0.7 27.6 68.6 62 110 A L E - 0 0 57 -28,-2.3 24,-2.5 -2,-0.9 2,-0.3 0.870 53.2 -11.7 -80.8 -44.4 0.8 26.8 72.3 63 111 A E E -de 35 86A 14 -29,-1.2 -27,-2.8 22,-0.3 2,-0.4 -0.992 47.5-146.7-158.4 157.5 2.9 29.7 73.6 64 112 A V E -de 36 87A 0 22,-2.2 24,-3.2 -2,-0.3 2,-0.5 -1.000 20.8-140.9-131.4 132.6 5.3 32.5 72.8 65 113 A I E -de 37 88A 0 -29,-2.7 -27,-2.2 -2,-0.4 2,-0.9 -0.839 1.8-149.4-100.0 125.5 8.1 33.6 75.0 66 114 A N - 0 0 0 22,-2.8 24,-0.4 -2,-0.5 8,-0.1 -0.848 11.8-168.2 -87.8 102.9 9.0 37.3 75.5 67 115 A T S S- 0 0 0 -2,-0.9 85,-2.2 6,-0.3 2,-0.3 0.553 73.4 -1.1 -76.9 -12.1 12.8 36.9 76.1 68 116 A N S S- 0 0 0 83,-0.2 25,-0.0 2,-0.2 -30,-0.0 -0.924 81.5-101.5-154.1-176.8 12.9 40.5 77.2 69 117 A Y S S+ 0 0 6 -2,-0.3 35,-0.1 4,-0.0 2,-0.1 0.387 80.9 115.2 -89.8 6.2 10.3 43.4 77.6 70 118 A H S >> S- 0 0 9 1,-0.1 4,-1.7 34,-0.0 3,-1.3 -0.284 78.7-110.2 -81.4 164.2 11.4 45.1 74.4 71 119 A T H 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.803 115.2 57.0 -61.0 -35.5 9.4 45.7 71.2 72 120 A D H 34 S+ 0 0 11 1,-0.2 -32,-0.5 2,-0.2 -1,-0.3 0.712 118.4 32.7 -73.6 -15.5 11.6 43.3 69.1 73 121 A R H <4 S+ 0 0 0 -3,-1.3 -34,-2.5 -34,-0.2 -6,-0.3 0.535 134.0 25.3-111.1 -16.4 10.7 40.4 71.5 74 122 A A H >< S+ 0 0 3 -4,-1.7 3,-1.8 -36,-0.2 4,-0.2 0.388 87.3 99.4-127.9 -3.9 7.2 41.4 72.6 75 123 A G T >< S+ 0 0 4 -4,-1.8 3,-0.5 -35,-0.3 -34,-0.2 0.816 82.0 56.7 -61.4 -30.0 5.7 43.5 69.8 76 124 A G T >> S+ 0 0 0 -36,-1.7 4,-1.7 -34,-0.3 3,-1.3 0.538 75.2 105.7 -75.5 -5.2 3.8 40.6 68.4 77 125 A N H <> S+ 0 0 2 -3,-1.8 4,-3.0 1,-0.3 5,-0.3 0.783 70.1 59.7 -51.4 -41.4 1.9 39.8 71.6 78 126 A A H <> S+ 0 0 42 -3,-0.5 4,-2.0 -4,-0.2 -1,-0.3 0.898 109.7 44.7 -54.2 -41.6 -1.5 41.2 70.6 79 127 A Y H <> S+ 0 0 37 -3,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.956 112.7 49.2 -70.3 -50.0 -1.6 38.7 67.7 80 128 A W H ><>S+ 0 0 0 -4,-1.7 5,-2.0 1,-0.2 3,-0.5 0.917 112.9 47.8 -57.5 -44.3 -0.5 35.7 69.7 81 129 A K H ><5S+ 0 0 73 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.932 107.0 58.7 -60.0 -42.5 -3.0 36.5 72.5 82 130 A S H 3<5S+ 0 0 86 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.764 105.4 47.2 -61.4 -28.9 -5.7 36.9 69.8 83 131 A I T <<5S- 0 0 59 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.386 122.9-102.7 -97.5 9.9 -5.2 33.3 68.5 84 133 A G T < 5S+ 0 0 66 -3,-2.0 2,-0.2 -4,-0.4 -3,-0.2 0.589 72.2 144.8 87.6 5.7 -5.2 31.8 72.1 85 134 A A < - 0 0 2 -5,-2.0 -1,-0.3 -6,-0.2 -22,-0.3 -0.575 52.9-115.9 -73.7 142.9 -1.5 31.3 72.5 86 135 A K E -e 63 0A 113 -24,-2.5 -22,-2.2 -2,-0.2 2,-0.5 -0.476 19.3-140.6 -70.6 146.8 -0.0 31.8 76.0 87 136 A V E -e 64 0A 0 -24,-0.2 38,-2.2 -2,-0.1 37,-1.5 -0.981 26.3-163.7-114.0 119.9 2.4 34.7 76.3 88 137 A V E +ef 65 125A 2 -24,-3.2 -22,-2.8 -2,-0.5 2,-0.3 -0.846 20.6 139.5-117.6 134.9 5.2 33.6 78.6 89 138 A S E - f 0 126A 0 36,-2.2 38,-2.8 -2,-0.4 2,-0.1 -0.966 49.7 -87.7-155.0 173.3 7.9 35.6 80.5 90 139 A T E > - f 0 127A 13 -24,-0.4 4,-2.2 -2,-0.3 38,-0.2 -0.426 44.2-111.7 -73.4 160.3 9.8 35.9 83.7 91 140 A R H > S+ 0 0 102 36,-2.5 4,-2.7 1,-0.2 5,-0.2 0.914 119.1 55.6 -60.5 -41.6 8.2 38.0 86.4 92 141 A Q H > S+ 0 0 65 35,-0.3 4,-2.5 1,-0.2 5,-0.2 0.922 108.2 47.1 -56.7 -48.1 11.0 40.5 86.0 93 142 A T H > S+ 0 0 0 57,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 112.9 49.4 -59.4 -45.1 10.3 40.9 82.2 94 143 A R H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.920 112.3 47.7 -59.4 -47.2 6.5 41.3 82.9 95 144 A D H X S+ 0 0 74 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.903 113.5 46.5 -63.2 -46.9 7.1 43.9 85.6 96 145 A L H X S+ 0 0 41 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.875 111.3 53.4 -62.8 -38.4 9.5 45.9 83.4 97 146 A M H X S+ 0 0 1 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.937 108.5 49.5 -62.1 -45.4 7.1 45.6 80.5 98 147 A K H < S+ 0 0 112 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.942 121.1 34.3 -58.1 -44.8 4.3 47.0 82.6 99 148 A S H < S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.838 130.7 28.8 -82.3 -31.4 6.3 50.0 83.8 100 149 A D H X S+ 0 0 42 -4,-2.9 4,-2.6 -5,-0.2 5,-0.3 0.384 82.1 102.1-117.9 2.3 8.4 50.7 80.7 101 150 A W H X S+ 0 0 13 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.940 85.6 51.3 -56.6 -50.1 6.5 49.6 77.6 102 151 A A H > S+ 0 0 79 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.918 111.4 49.0 -51.9 -45.0 5.5 53.2 76.7 103 152 A E H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 111.5 47.0 -63.7 -45.5 9.1 54.2 76.9 104 153 A I H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.871 112.2 50.9 -66.8 -34.9 10.5 51.4 74.8 105 154 A V H X S+ 0 0 2 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.956 112.2 47.3 -63.7 -46.6 7.8 52.0 72.1 106 155 A A H X S+ 0 0 45 -4,-2.5 4,-1.1 -5,-0.3 -2,-0.2 0.919 113.4 48.4 -58.9 -44.8 8.7 55.7 72.1 107 156 A F H X S+ 0 0 69 -4,-2.6 4,-1.0 1,-0.2 3,-0.4 0.897 110.2 51.2 -64.3 -42.2 12.4 54.8 71.9 108 157 A T H X S+ 0 0 12 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.914 109.1 51.5 -60.1 -41.5 11.8 52.4 69.0 109 158 A R H < S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.696 96.1 69.4 -74.0 -18.9 9.8 55.0 67.1 110 159 A K H < S+ 0 0 164 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.939 115.7 25.0 -62.1 -44.6 12.6 57.6 67.5 111 160 A G H < S+ 0 0 64 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.706 135.6 37.1 -88.9 -23.5 14.8 55.5 65.1 112 161 A L >< + 0 0 25 -4,-1.9 3,-2.3 -5,-0.2 -1,-0.2 -0.703 61.9 172.0-130.8 73.5 11.8 53.9 63.3 113 162 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.804 79.3 64.4 -56.5 -28.5 9.0 56.4 63.0 114 163 A E T 3 S+ 0 0 124 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.606 79.2 106.0 -65.9 -18.0 7.1 53.9 60.8 115 164 A Y S < S- 0 0 0 -3,-2.3 -3,-0.0 -7,-0.2 -73,-0.0 -0.478 80.0-107.1 -68.3 135.3 6.9 51.5 63.8 116 165 A P - 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