==== 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 17-NOV-08 3FAI . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR H.DELBRUCK,K.M.V.HOFFMANN . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 15.4 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 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 25.1 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 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 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 0.000 360.0 360.0 360.0 166.9 11.1 13.2 6.9 2 42 A G + 0 0 37 1,-0.2 16,-2.5 15,-0.1 17,-0.3 0.785 360.0 10.3 -63.7 -30.3 10.0 10.9 4.1 3 43 A M E -A 17 0A 12 14,-0.2 2,-0.3 15,-0.1 14,-0.2 -0.989 69.7-164.8-151.9 139.0 10.3 13.8 1.7 4 44 A S E -A 16 0A 37 12,-2.0 12,-1.9 -2,-0.3 2,-0.4 -0.939 7.5-159.9-123.8 153.1 11.8 17.3 2.0 5 45 A L E +A 15 0A 29 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.982 23.7 172.1-132.1 114.1 11.4 20.3 -0.2 6 46 A T E -A 14 0A 78 8,-2.4 8,-3.1 -2,-0.4 2,-0.1 -0.993 34.0-112.5-135.8 136.1 14.2 22.9 0.3 7 47 A Q E +A 13 0A 110 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.397 28.6 174.3 -62.6 129.8 15.1 26.1 -1.5 8 48 A V E S- 0 0 41 4,-2.9 2,-0.3 1,-0.2 5,-0.2 0.778 73.8 -14.6-101.6 -39.0 18.4 26.0 -3.4 9 49 A S E > S-A 12 0A 48 3,-2.0 3,-2.6 1,-0.2 -1,-0.2 -0.832 105.8 -49.9-162.5 120.6 18.2 29.4 -5.1 10 50 A G T 3 S- 0 0 40 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.1 -0.248 125.8 -6.7 59.7-125.0 15.3 31.9 -5.5 11 51 A P T 3 S+ 0 0 33 0, 0.0 18,-2.4 0, 0.0 2,-0.6 0.409 113.7 101.5 -83.7 1.5 12.3 30.0 -6.9 12 52 A V E < +AB 9 28A 0 -3,-2.6 -4,-2.9 16,-0.2 -3,-2.0 -0.814 49.3 176.8 -99.0 121.7 14.3 26.8 -7.4 13 53 A Y E -AB 7 27A 42 14,-3.1 14,-2.4 -2,-0.6 2,-0.4 -0.870 21.6-136.0-125.7 150.0 13.7 24.1 -4.8 14 54 A V E -AB 6 26A 6 -8,-3.1 -8,-2.4 -2,-0.3 2,-0.6 -0.904 10.8-149.0-109.7 136.3 15.1 20.5 -4.5 15 55 A V E -AB 5 25A 0 10,-3.4 10,-1.9 -2,-0.4 2,-0.7 -0.929 3.9-162.5-102.3 120.9 12.9 17.6 -3.5 16 56 A E E -AB 4 24A 54 -12,-1.9 -12,-2.0 -2,-0.6 2,-0.8 -0.935 9.4-167.9-100.9 110.3 14.6 14.8 -1.6 17 57 A D E -AB 3 23A 0 6,-2.7 6,-2.3 -2,-0.7 -14,-0.2 -0.874 8.3-176.7-101.4 102.8 12.3 11.8 -2.0 18 58 A N + 0 0 66 -16,-2.5 4,-0.2 -2,-0.8 -15,-0.1 0.413 44.0 116.2 -89.8 4.2 13.5 9.2 0.5 19 59 A Y S S- 0 0 67 -17,-0.3 4,-0.2 4,-0.1 -2,-0.1 -0.434 87.7 -22.6 -68.3 144.3 10.9 6.6 -0.6 20 60 A Y S S- 0 0 75 -2,-0.1 2,-0.6 2,-0.1 3,-0.0 -0.317 138.9 -0.3 57.6-130.7 12.3 3.4 -2.1 21 67 A V S S- 0 0 84 1,-0.1 -2,-0.1 91,-0.0 -4,-0.1 -0.822 102.4 -99.4 -85.4 123.8 15.8 4.2 -3.4 22 68 A Q - 0 0 57 -2,-0.6 183,-0.5 -4,-0.2 2,-0.4 -0.125 48.4-177.9 -46.1 128.6 16.3 8.0 -2.7 23 69 A E E -B 17 0A 0 -6,-2.3 -6,-2.7 -4,-0.2 2,-0.4 -0.980 15.8-145.8-129.6 144.6 15.6 10.1 -5.7 24 70 A N E +B 16 0A 0 179,-2.0 -8,-0.2 -2,-0.4 2,-0.2 -0.925 22.3 170.1-111.6 134.9 15.9 13.9 -6.0 25 71 A S E -B 15 0A 0 -10,-1.9 -10,-3.4 -2,-0.4 2,-0.3 -0.636 23.7-116.9-130.9-177.9 13.6 16.0 -8.1 26 72 A M E -BC 14 37A 0 11,-2.5 11,-3.1 -12,-0.3 2,-0.4 -0.916 12.6-162.4-125.9 156.9 13.0 19.8 -8.5 27 73 A V E -BC 13 36A 0 -14,-2.4 -14,-3.1 -2,-0.3 2,-0.5 -0.998 5.5-162.1-136.1 138.9 10.2 22.4 -8.1 28 74 A Y E -BC 12 35A 19 7,-2.8 7,-2.5 -2,-0.4 2,-1.0 -0.978 10.0-150.5-119.6 119.0 10.1 25.8 -9.6 29 75 A F E - C 0 34A 31 -18,-2.4 5,-0.2 -2,-0.5 2,-0.1 -0.780 30.0-180.0 -92.0 97.5 7.7 28.4 -8.0 30 76 A G - 0 0 9 3,-1.8 29,-0.1 -2,-1.0 105,-0.0 -0.269 41.3 -96.8 -95.4 179.7 6.8 30.6 -10.9 31 77 A A S S+ 0 0 66 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.861 122.5 29.3 -62.5 -45.4 4.5 33.7 -11.4 32 78 A K S S- 0 0 164 1,-0.3 2,-0.3 27,-0.1 -1,-0.2 0.601 130.9 -57.2 -94.1 -17.7 1.5 31.8 -12.7 33 79 A G - 0 0 0 26,-0.2 -3,-1.8 28,-0.0 2,-0.3 -0.987 67.5 -44.8 163.0-165.0 2.1 28.6 -10.8 34 80 A V E -Cd 29 61A 0 26,-2.8 28,-2.4 -2,-0.3 29,-1.2 -0.716 29.8-162.1-107.0 134.8 4.4 25.6 -10.0 35 81 A T E -Cd 28 63A 0 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.4 -0.968 11.3-157.7-111.3 128.2 6.5 23.4 -12.3 36 82 A V E -Cd 27 64A 0 27,-2.8 29,-2.7 -2,-0.5 2,-0.6 -0.865 3.3-153.5-104.4 138.0 7.6 20.1 -10.9 37 83 A V E S+Cd 26 65A 0 -11,-3.1 -11,-2.5 -2,-0.4 29,-0.1 -0.935 74.5 17.2-115.9 107.6 10.6 18.4 -12.5 38 84 A G S S- 0 0 0 27,-2.6 28,-0.2 -2,-0.6 -1,-0.2 0.466 74.7-129.6 95.3 121.8 10.5 14.6 -12.0 39 85 A A - 0 0 0 34,-2.5 34,-0.2 1,-0.2 35,-0.2 0.606 45.2-124.8 -81.8 -4.6 7.1 13.1 -11.1 40 86 A T - 0 0 0 32,-0.6 36,-1.7 1,-0.1 35,-0.4 -0.095 36.6 -63.3 71.9 171.8 8.5 11.2 -8.1 41 87 A W S S- 0 0 14 34,-0.2 -1,-0.1 33,-0.1 32,-0.1 0.812 104.6 -2.9 -62.1 -43.9 8.2 7.4 -7.5 42 88 A T S > S- 0 0 5 -3,-0.1 4,-2.5 30,-0.1 34,-0.2 -0.944 73.4 -96.2-144.4 171.3 4.5 6.8 -7.1 43 89 A P H > S+ 0 0 36 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.880 124.7 53.5 -60.0 -31.4 1.1 8.5 -6.9 44 90 A D H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.905 108.8 46.4 -68.6 -44.8 1.5 8.5 -3.1 45 91 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 110.4 54.5 -63.3 -34.3 4.9 10.1 -3.2 46 92 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.902 107.2 50.6 -63.2 -44.1 3.5 12.7 -5.6 47 93 A R H X S+ 0 0 116 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.903 108.2 53.1 -59.0 -43.0 0.7 13.5 -3.1 48 94 A E H X S+ 0 0 49 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.914 110.3 47.1 -59.9 -41.7 3.4 13.9 -0.4 49 95 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.927 109.2 53.9 -62.2 -42.4 5.2 16.4 -2.6 50 96 A H H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 104.8 55.3 -61.3 -39.4 2.0 18.2 -3.4 51 97 A K H X S+ 0 0 87 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.901 109.5 46.4 -59.1 -41.8 1.4 18.5 0.4 52 98 A L H >X S+ 0 0 47 -4,-1.5 3,-0.6 1,-0.2 4,-0.5 0.892 110.0 53.9 -67.5 -38.6 4.8 20.2 0.8 53 99 A I H >X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 3,-1.8 0.922 103.4 56.1 -61.0 -42.2 4.1 22.5 -2.2 54 100 A K H 3< S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.736 101.0 58.4 -65.9 -19.4 0.8 23.7 -0.6 55 102 A R H << S+ 0 0 221 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.682 115.5 36.3 -79.1 -14.4 2.7 24.8 2.5 56 103 A V H << S+ 0 0 72 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.786 126.0 13.9-105.9 -39.0 4.9 27.1 0.3 57 104 A S < - 0 0 24 -4,-2.7 -1,-0.3 2,-0.1 -23,-0.0 -0.997 43.5-153.0-144.3 147.8 2.4 28.4 -2.4 58 105 A R + 0 0 236 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.455 68.0 112.1 -88.9 -9.2 -1.3 28.7 -3.1 59 106 A K S S- 0 0 78 1,-0.1 -26,-0.2 -29,-0.1 -2,-0.1 -0.327 76.1 -96.9 -71.3 152.7 -0.6 28.7 -6.8 60 108 A P - 0 0 76 0, 0.0 -26,-2.8 0, 0.0 2,-0.8 -0.317 27.3-115.0 -70.5 155.0 -1.6 25.8 -9.0 61 109 A V E -d 34 0A 14 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.774 37.2-176.8 -84.7 113.0 0.7 23.0 -10.1 62 110 A L E - 0 0 58 -28,-2.4 24,-2.4 -2,-0.8 2,-0.3 0.827 53.8 -11.3 -83.3 -44.4 0.8 23.7 -13.8 63 111 A E E -de 35 86A 28 -29,-1.2 -27,-2.8 22,-0.3 2,-0.4 -0.988 47.6-146.6-158.5 156.3 2.9 20.9 -15.1 64 112 A V E -de 36 87A 0 22,-2.3 24,-3.3 -2,-0.3 2,-0.5 -0.996 21.1-141.1-131.2 129.9 5.2 18.1 -14.2 65 113 A I E -de 37 88A 0 -29,-2.7 -27,-2.6 -2,-0.4 2,-0.9 -0.837 0.8-150.5 -96.0 128.1 8.1 17.0 -16.4 66 114 A N - 0 0 0 22,-2.7 24,-0.4 -2,-0.5 8,-0.1 -0.851 9.2-166.8 -88.6 105.3 9.1 13.3 -16.9 67 115 A T S S- 0 0 2 -2,-0.9 85,-2.1 6,-0.2 2,-0.3 0.624 73.9 -3.0 -73.1 -12.7 12.8 13.6 -17.5 68 116 A N S S- 0 0 4 83,-0.2 25,-0.1 2,-0.2 -30,-0.0 -0.922 81.0 -99.7-156.9-176.0 12.8 10.0 -18.7 69 117 A Y S S+ 0 0 7 -2,-0.3 35,-0.1 -3,-0.1 5,-0.1 0.387 80.5 115.8 -90.0 3.7 10.3 7.2 -19.0 70 118 A H S >> S- 0 0 6 1,-0.1 4,-1.7 34,-0.0 3,-1.3 -0.198 77.8-110.1 -80.6 162.2 11.4 5.4 -15.8 71 119 A T H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.818 114.7 57.0 -59.1 -35.7 9.4 4.8 -12.6 72 120 A D H 34 S+ 0 0 13 1,-0.2 -32,-0.6 2,-0.2 -1,-0.2 0.689 118.0 33.4 -74.3 -11.3 11.5 7.2 -10.5 73 121 A R H <4 S+ 0 0 0 -3,-1.3 -34,-2.5 -34,-0.2 -6,-0.2 0.552 133.3 25.5-114.7 -14.0 10.7 10.1 -12.9 74 122 A A H >< S+ 0 0 2 -4,-1.7 3,-1.9 -36,-0.2 4,-0.2 0.378 87.1 99.1-129.5 -5.5 7.2 9.2 -14.1 75 123 A G T >< S+ 0 0 3 -4,-1.9 3,-0.5 -35,-0.4 -34,-0.2 0.823 81.6 56.9 -61.9 -24.3 5.6 7.1 -11.3 76 124 A G T >> S+ 0 0 0 -36,-1.7 4,-1.6 -34,-0.2 3,-1.5 0.536 75.4 106.1 -78.8 -5.1 3.7 10.0 -9.8 77 125 A N H <> S+ 0 0 3 -3,-1.9 4,-3.0 1,-0.3 5,-0.3 0.783 70.1 59.2 -50.1 -43.8 1.9 10.8 -13.1 78 126 A A H <> S+ 0 0 42 -3,-0.5 4,-1.7 -4,-0.2 -1,-0.3 0.885 109.3 45.4 -51.8 -42.5 -1.5 9.4 -12.1 79 127 A Y H <> S+ 0 0 43 -3,-1.5 4,-1.3 2,-0.2 6,-0.2 0.939 111.6 50.4 -69.4 -44.8 -1.6 11.9 -9.2 80 128 A W H ><>S+ 0 0 0 -4,-1.6 5,-2.1 1,-0.2 3,-0.7 0.935 112.0 47.6 -62.7 -42.7 -0.5 14.9 -11.2 81 129 A K H ><5S+ 0 0 75 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.908 106.2 59.7 -59.6 -41.3 -3.1 14.2 -13.9 82 130 A S H 3<5S+ 0 0 89 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.747 105.8 47.2 -61.9 -26.3 -5.7 13.8 -11.2 83 131 A I T <<5S- 0 0 59 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.309 122.6-104.1 -95.4 8.4 -5.1 17.3 -10.0 84 133 A G T < 5S+ 0 0 63 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.599 72.0 144.4 82.6 9.7 -5.2 18.8 -13.5 85 134 A A < - 0 0 2 -5,-2.1 -1,-0.3 -6,-0.2 -22,-0.3 -0.610 52.4-117.9 -77.5 141.1 -1.4 19.3 -13.9 86 135 A K E -e 63 0A 105 -24,-2.4 -22,-2.3 -2,-0.2 2,-0.5 -0.516 18.4-139.6 -72.9 148.9 -0.1 18.7 -17.4 87 136 A V E -e 64 0A 0 -24,-0.2 38,-2.2 -2,-0.2 37,-1.5 -0.977 26.0-164.7-113.3 119.2 2.4 15.9 -17.7 88 137 A V E +ef 65 125A 2 -24,-3.3 -22,-2.7 -2,-0.5 2,-0.3 -0.882 20.8 138.3-114.0 139.3 5.2 17.0 -20.0 89 138 A S E - f 0 126A 0 36,-2.0 38,-2.5 -2,-0.4 2,-0.1 -0.953 51.2 -84.5-156.2 176.4 7.9 15.0 -21.8 90 139 A T E > - f 0 127A 14 -24,-0.4 4,-2.3 -2,-0.3 38,-0.2 -0.489 43.3-112.5 -76.9 162.5 9.7 14.7 -25.1 91 140 A R H > S+ 0 0 95 36,-2.4 4,-3.0 1,-0.2 5,-0.2 0.905 119.2 55.8 -59.2 -43.2 8.1 12.6 -27.8 92 141 A Q H > S+ 0 0 68 35,-0.3 4,-2.5 2,-0.2 5,-0.2 0.918 108.2 46.8 -54.3 -50.8 10.9 10.1 -27.4 93 142 A T H > S+ 0 0 0 2,-0.2 4,-2.2 57,-0.2 -1,-0.2 0.923 113.6 48.9 -59.4 -42.7 10.2 9.7 -23.7 94 143 A R H X S+ 0 0 36 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.925 111.7 49.1 -65.4 -38.8 6.5 9.3 -24.3 95 144 A D H X S+ 0 0 83 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.903 113.1 46.0 -68.1 -42.1 7.1 6.7 -27.1 96 145 A L H X S+ 0 0 41 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.852 110.2 55.1 -68.9 -33.0 9.5 4.6 -24.9 97 146 A M H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.940 107.5 49.7 -65.6 -43.8 7.0 4.9 -22.0 98 147 A K H < S+ 0 0 132 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.920 120.8 34.3 -60.0 -43.4 4.3 3.4 -24.1 99 148 A S H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.808 130.7 28.2 -80.7 -32.0 6.4 0.5 -25.3 100 149 A D H X S+ 0 0 44 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.351 82.7 101.2-120.6 1.5 8.4 -0.2 -22.1 101 150 A W H X S+ 0 0 14 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.927 86.4 51.1 -54.2 -50.9 6.5 0.9 -19.1 102 151 A A H > S+ 0 0 80 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 111.4 50.0 -55.3 -40.3 5.5 -2.6 -18.2 103 152 A E H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 111.9 45.4 -64.0 -44.1 9.1 -3.6 -18.5 104 153 A I H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.891 112.3 51.7 -72.8 -31.1 10.4 -0.9 -16.2 105 154 A V H X S+ 0 0 2 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.941 111.6 47.2 -67.6 -43.1 7.7 -1.5 -13.7 106 155 A A H X S+ 0 0 57 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.920 113.0 48.7 -63.2 -40.1 8.6 -5.2 -13.6 107 156 A F H X S+ 0 0 61 -4,-2.4 4,-1.3 2,-0.2 3,-0.2 0.898 109.9 52.8 -66.1 -39.0 12.3 -4.3 -13.3 108 157 A T H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.935 107.6 51.2 -59.4 -42.1 11.5 -1.9 -10.5 109 158 A R H < S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.709 98.2 66.3 -77.2 -17.4 9.6 -4.6 -8.6 110 159 A K H < S+ 0 0 155 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.964 115.8 28.3 -62.1 -48.2 12.5 -7.0 -8.9 111 160 A G H < S+ 0 0 63 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.783 135.2 33.6 -80.5 -27.2 14.6 -4.7 -6.6 112 161 A L >< + 0 0 23 -4,-2.2 3,-2.5 -5,-0.2 -1,-0.3 -0.721 62.2 174.3-133.6 77.6 11.6 -3.3 -4.8 113 162 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.779 81.0 63.5 -61.6 -25.6 8.9 -5.9 -4.4 114 163 A E T 3 S+ 0 0 124 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.627 79.4 106.9 -69.1 -15.8 7.0 -3.4 -2.2 115 164 A Y S < S- 0 0 1 -3,-2.5 -3,-0.0 -7,-0.2 -73,-0.0 -0.423 78.5-108.4 -71.8 137.9 6.7 -1.0 -5.2 116 165 A P - 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