==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-AUG-09 3IOG . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR H.DELBRUCK,C.BEBRONE,K.M.V.HOFFMANN . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.9 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 . 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 . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 24.7 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 2 0 0 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 0 107 0, 0.0 3,-0.1 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 21.9 15.0 11.9 52.9 2 42 A G + 0 0 29 1,-0.1 16,-2.1 16,-0.1 17,-0.5 0.563 360.0 68.5 94.6 14.6 12.2 10.7 55.1 3 43 A M E -A 17 0A 22 14,-0.2 2,-0.3 15,-0.2 14,-0.2 -0.984 53.7-154.7-165.3 142.0 11.2 13.8 57.1 4 44 A S E -A 16 0A 41 12,-2.1 12,-2.1 -2,-0.3 2,-0.4 -0.930 2.6-161.4-124.0 153.8 9.7 17.2 56.9 5 45 A L E +A 15 0A 29 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.972 24.5 170.8-132.7 112.3 10.1 20.3 59.0 6 46 A T E -A 14 0A 80 8,-2.4 8,-3.0 -2,-0.4 2,-0.2 -0.979 35.0-110.1-136.1 137.2 7.3 22.8 58.5 7 47 A Q E +A 13 0A 110 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.424 29.5 173.1 -61.4 128.6 6.3 26.0 60.3 8 48 A V E S- 0 0 41 4,-2.8 2,-0.2 1,-0.2 5,-0.2 0.765 74.7 -14.0 -99.5 -41.9 3.0 25.8 62.2 9 49 A S E > S-A 12 0A 48 3,-2.0 3,-2.6 1,-0.2 -1,-0.2 -0.803 105.5 -52.4-163.8 119.5 3.2 29.3 63.9 10 50 A G T 3 S- 0 0 38 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 -0.238 125.9 -5.0 53.7-124.8 6.1 31.8 64.2 11 51 A P T 3 S+ 0 0 34 0, 0.0 18,-2.4 0, 0.0 2,-0.6 0.450 113.6 100.9 -80.8 1.1 9.1 30.0 65.6 12 52 A V E < +AB 9 28A 0 -3,-2.6 -4,-2.8 16,-0.2 -3,-2.0 -0.809 50.2 177.1 -95.7 121.7 7.2 26.7 66.2 13 53 A Y E -AB 7 27A 45 14,-3.1 14,-2.3 -2,-0.6 2,-0.4 -0.869 21.8-135.2-124.1 150.9 7.7 24.0 63.6 14 54 A V E -AB 6 26A 6 -8,-3.0 -8,-2.4 -2,-0.3 2,-0.6 -0.903 10.1-149.3-109.0 135.6 6.4 20.5 63.3 15 55 A V E -AB 5 25A 0 10,-3.1 10,-1.9 -2,-0.4 2,-0.7 -0.911 4.3-163.7 -99.2 120.4 8.6 17.5 62.4 16 56 A E E -AB 4 24A 54 -12,-2.1 -12,-2.1 -2,-0.6 2,-0.8 -0.942 9.6-167.6-101.4 108.3 6.9 14.7 60.4 17 57 A D E -AB 3 23A 0 6,-2.7 6,-2.3 -2,-0.7 -14,-0.2 -0.883 8.6-177.4-101.1 104.2 9.3 11.8 60.8 18 58 A N + 0 0 78 -16,-2.1 4,-0.2 -2,-0.8 -15,-0.2 0.400 43.1 116.5 -89.5 2.1 8.2 9.1 58.3 19 59 A Y S S- 0 0 57 -17,-0.5 4,-0.1 2,-0.1 -2,-0.1 -0.423 88.7 -21.6 -66.9 144.0 10.8 6.6 59.3 20 60 A Y S S- 0 0 74 -2,-0.1 2,-0.5 2,-0.1 3,-0.0 -0.311 139.3 -2.8 57.3-126.8 9.4 3.3 60.8 21 67 A V S S- 0 0 84 1,-0.1 -2,-0.1 91,-0.0 -4,-0.1 -0.859 100.5 -98.4 -92.2 129.0 5.9 4.2 62.1 22 68 A Q - 0 0 58 -2,-0.5 183,-0.4 -4,-0.2 2,-0.4 -0.140 47.2-178.9 -50.4 131.4 5.3 8.0 61.5 23 69 A E E -B 17 0A 0 -6,-2.3 -6,-2.7 181,-0.1 2,-0.4 -0.983 16.2-143.9-129.6 145.0 6.0 10.1 64.6 24 70 A N E +B 16 0A 0 179,-2.1 2,-0.2 -2,-0.4 -8,-0.2 -0.928 23.1 169.9-112.9 136.0 5.6 13.8 64.8 25 71 A S E -B 15 0A 0 -10,-1.9 -10,-3.1 -2,-0.4 2,-0.3 -0.669 23.8-116.6-130.6 179.5 7.9 16.0 67.0 26 72 A M E -BC 14 37A 0 11,-2.6 11,-3.1 -12,-0.2 2,-0.4 -0.902 12.6-162.9-127.2 155.0 8.5 19.8 67.4 27 73 A V E -BC 13 36A 0 -14,-2.3 -14,-3.1 -2,-0.3 2,-0.5 -0.998 5.7-162.0-132.8 137.4 11.2 22.3 66.9 28 74 A Y E -BC 12 35A 19 7,-2.8 7,-2.4 -2,-0.4 2,-1.0 -0.981 9.4-151.3-119.2 119.3 11.3 25.8 68.4 29 75 A F E + C 0 34A 29 -18,-2.4 5,-0.2 -2,-0.5 2,-0.1 -0.790 29.0 179.6 -91.3 99.0 13.7 28.4 66.8 30 76 A G - 0 0 16 3,-1.9 29,-0.1 -2,-1.0 104,-0.0 -0.349 42.1 -99.2 -97.2 179.4 14.6 30.7 69.6 31 77 A A S S+ 0 0 87 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.854 121.7 30.2 -63.9 -41.1 16.8 33.8 70.0 32 78 A K S S- 0 0 142 1,-0.3 2,-0.3 27,-0.1 -1,-0.2 0.580 130.6 -54.8 -94.0 -17.3 19.8 31.9 71.5 33 79 A G - 0 0 0 26,-0.2 -3,-1.9 28,-0.0 2,-0.4 -0.988 66.7 -50.3 160.9-172.5 19.3 28.6 69.7 34 80 A V E -Cd 29 61A 0 26,-2.9 28,-2.3 -2,-0.3 29,-1.2 -0.766 29.2-159.9-106.4 134.4 17.0 25.7 68.9 35 81 A T E -Cd 28 63A 0 -7,-2.4 -7,-2.8 -2,-0.4 2,-0.4 -0.965 10.1-158.3-110.0 128.0 14.9 23.5 71.2 36 82 A V E -Cd 27 64A 0 27,-2.7 29,-2.6 -2,-0.5 2,-0.6 -0.884 2.3-156.6-103.5 134.3 13.8 20.0 69.8 37 83 A V E S+Cd 26 65A 0 -11,-3.1 -11,-2.6 -2,-0.4 29,-0.1 -0.929 74.6 19.4-115.8 107.4 10.8 18.4 71.4 38 84 A G S S- 0 0 0 27,-2.5 -1,-0.2 -2,-0.6 28,-0.2 0.422 74.9-131.3 96.5 117.7 11.0 14.6 70.8 39 85 A A - 0 0 0 34,-2.5 34,-0.2 1,-0.2 35,-0.2 0.579 44.4-124.8 -76.9 -8.0 14.4 13.2 69.9 40 86 A T - 0 0 0 32,-0.6 36,-1.7 1,-0.1 35,-0.2 -0.031 37.2 -63.5 75.3 172.5 13.0 11.2 66.9 41 87 A W S S- 0 0 15 34,-0.2 -1,-0.1 33,-0.1 33,-0.1 0.822 104.4 -2.7 -63.9 -41.9 13.4 7.4 66.3 42 88 A T S > S- 0 0 4 -3,-0.1 4,-2.5 34,-0.1 34,-0.2 -0.925 73.5 -96.4-146.1 169.1 17.2 6.9 65.9 43 89 A P H > S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.888 125.3 53.9 -58.5 -34.1 20.5 8.7 65.8 44 90 A D H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.899 108.6 46.1 -66.3 -43.3 20.2 8.5 62.0 45 91 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 110.8 54.7 -66.7 -34.3 16.7 10.2 62.0 46 92 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.920 106.7 50.3 -61.9 -41.6 18.1 12.8 64.5 47 93 A R H X S+ 0 0 115 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.909 108.5 52.9 -63.0 -40.1 20.9 13.6 62.0 48 94 A E H X S+ 0 0 21 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.913 110.1 47.8 -61.6 -40.4 18.2 14.0 59.3 49 95 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.931 109.5 53.0 -65.0 -42.6 16.3 16.4 61.5 50 96 A H H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.904 104.9 55.3 -60.0 -40.5 19.5 18.3 62.2 51 97 A K H X S+ 0 0 74 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.912 110.1 46.2 -58.0 -41.5 20.2 18.6 58.5 52 98 A L H >< S+ 0 0 48 -4,-1.7 3,-0.8 1,-0.2 4,-0.5 0.914 109.7 54.0 -67.7 -40.6 16.7 20.2 58.1 53 99 A I H >X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 3,-1.8 0.910 103.1 57.0 -56.8 -42.7 17.4 22.5 61.0 54 100 A K H 3< S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.718 99.4 59.1 -69.1 -17.8 20.6 23.8 59.5 55 102 A R T << S+ 0 0 220 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.648 115.6 36.1 -78.9 -12.8 18.7 24.9 56.4 56 103 A V T <4 S+ 0 0 73 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.777 127.0 10.7-104.8 -39.7 16.6 27.2 58.6 57 104 A S < - 0 0 28 -4,-2.5 -1,-0.3 2,-0.1 -23,-0.0 -0.998 41.6-154.3-147.9 145.4 19.1 28.5 61.3 58 105 A R + 0 0 226 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.428 66.0 114.5 -92.3 -3.5 22.8 28.5 62.1 59 106 A K S S- 0 0 78 1,-0.1 -26,-0.2 -29,-0.1 -2,-0.1 -0.333 76.3 -93.4 -71.5 151.3 22.0 28.8 65.8 60 108 A P - 0 0 74 0, 0.0 -26,-2.9 0, 0.0 2,-0.9 -0.264 28.4-115.3 -65.5 148.8 23.1 25.9 68.1 61 109 A V E -d 34 0A 13 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.750 38.3-177.1 -76.5 109.1 20.8 23.1 69.0 62 110 A L E - 0 0 54 -28,-2.3 24,-2.5 -2,-0.9 2,-0.3 0.889 52.7 -11.0 -80.4 -45.0 20.6 23.8 72.7 63 111 A E E -de 35 86A 36 -29,-1.2 -27,-2.7 22,-0.3 2,-0.4 -0.992 47.2-147.5-159.6 155.6 18.5 20.9 74.0 64 112 A V E -de 36 87A 0 22,-2.3 24,-3.2 -2,-0.3 2,-0.5 -1.000 20.9-141.6-129.6 130.2 16.2 18.1 73.1 65 113 A I E -de 37 88A 0 -29,-2.6 -27,-2.5 -2,-0.4 2,-0.9 -0.811 1.4-149.9 -97.7 128.9 13.3 17.0 75.3 66 114 A N - 0 0 0 22,-2.9 24,-0.4 -2,-0.5 8,-0.1 -0.861 9.8-168.6 -89.5 106.9 12.4 13.3 75.8 67 115 A T S S- 0 0 2 -2,-0.9 85,-2.1 6,-0.2 2,-0.3 0.667 73.9 -3.4 -76.0 -16.0 8.6 13.6 76.4 68 116 A N S S- 0 0 3 83,-0.2 25,-0.0 2,-0.2 -1,-0.0 -0.910 80.5-100.1-154.2-177.5 8.6 9.9 77.5 69 117 A Y S S+ 0 0 6 -2,-0.3 35,-0.1 -3,-0.1 5,-0.1 0.384 79.9 116.1 -87.5 1.0 11.2 7.1 77.8 70 118 A H S >> S- 0 0 11 1,-0.1 4,-1.6 3,-0.0 3,-1.5 -0.255 77.6-110.8 -76.8 162.1 10.1 5.3 74.6 71 119 A T H 3> S+ 0 0 3 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.808 115.0 57.6 -59.1 -34.5 12.2 4.8 71.4 72 120 A D H 34 S+ 0 0 11 1,-0.2 -32,-0.6 2,-0.2 -1,-0.3 0.654 117.6 33.9 -76.2 -11.6 10.1 7.2 69.3 73 121 A R H <4 S+ 0 0 0 -3,-1.5 -34,-2.5 -34,-0.2 -6,-0.2 0.537 133.7 24.4-112.5 -14.6 10.8 10.0 71.8 74 122 A A H >< S+ 0 0 2 -4,-1.6 3,-2.0 -36,-0.2 4,-0.2 0.423 87.4 99.0-130.1 -5.5 14.4 9.2 72.9 75 123 A G T 3< S+ 0 0 4 -4,-1.9 3,-0.5 -5,-0.3 -34,-0.2 0.799 82.4 56.8 -63.1 -27.3 16.0 7.1 70.2 76 124 A G T >> S+ 0 0 0 -36,-1.7 4,-1.6 -34,-0.2 3,-1.3 0.545 75.9 105.6 -75.8 -4.1 17.8 10.1 68.7 77 125 A N H <> S+ 0 0 2 -3,-2.0 4,-2.9 1,-0.3 5,-0.3 0.788 70.4 58.5 -51.3 -41.7 19.6 10.8 72.0 78 126 A A H 3> S+ 0 0 43 -3,-0.5 4,-1.8 -4,-0.2 -1,-0.3 0.884 109.2 46.2 -58.4 -39.1 23.0 9.5 71.0 79 127 A Y H <> S+ 0 0 35 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.941 111.5 50.2 -67.4 -47.3 23.2 12.0 68.1 80 128 A W H ><>S+ 0 0 0 -4,-1.6 5,-2.2 1,-0.2 3,-0.7 0.932 112.1 47.8 -59.4 -44.8 22.0 15.0 70.1 81 129 A K H ><5S+ 0 0 74 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.908 106.4 59.1 -58.1 -41.9 24.6 14.3 72.8 82 130 A S H 3<5S+ 0 0 89 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.756 106.1 47.1 -63.2 -25.8 27.3 13.9 70.2 83 131 A I T <<5S- 0 0 59 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.307 123.0-103.8 -96.8 6.8 26.6 17.5 68.9 84 133 A G T < 5S+ 0 0 62 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.584 71.7 143.8 85.4 10.8 26.6 18.9 72.4 85 134 A A < - 0 0 2 -5,-2.2 -1,-0.3 -6,-0.2 -22,-0.3 -0.610 52.6-115.7 -78.0 143.9 22.9 19.4 72.9 86 135 A K E -e 63 0A 109 -24,-2.5 -22,-2.3 -2,-0.3 2,-0.5 -0.498 19.3-140.3 -69.1 146.4 21.5 18.8 76.3 87 136 A V E -e 64 0A 0 -24,-0.2 38,-2.2 -2,-0.2 37,-1.5 -0.973 26.5-165.2-111.4 121.1 19.0 15.9 76.6 88 137 A V E +ef 65 125A 3 -24,-3.2 -22,-2.9 -2,-0.5 2,-0.3 -0.868 20.9 137.1-117.3 135.8 16.2 16.9 78.9 89 138 A S E - f 0 126A 0 36,-2.0 38,-2.0 -2,-0.4 2,-0.1 -0.960 52.0 -83.4-154.5 176.6 13.5 15.0 80.7 90 139 A T E > - f 0 127A 14 -24,-0.4 4,-2.2 -2,-0.3 38,-0.2 -0.450 44.1-112.4 -73.4 160.7 11.7 14.6 84.0 91 140 A R H > S+ 0 0 108 36,-2.3 4,-2.8 1,-0.2 5,-0.2 0.914 119.4 56.0 -60.3 -40.7 13.3 12.5 86.7 92 141 A Q H > S+ 0 0 69 35,-0.3 4,-2.4 1,-0.2 5,-0.2 0.928 107.6 47.8 -58.0 -46.8 10.5 10.0 86.3 93 142 A T H > S+ 0 0 0 57,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 113.1 48.6 -59.8 -44.4 11.2 9.7 82.6 94 143 A R H X S+ 0 0 65 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.922 111.8 48.0 -64.2 -42.9 15.0 9.3 83.2 95 144 A D H X S+ 0 0 80 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.895 112.9 48.3 -65.7 -40.2 14.5 6.6 85.9 96 145 A L H X S+ 0 0 38 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.890 109.8 53.2 -66.6 -37.5 12.0 4.7 83.7 97 146 A M H X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.933 107.3 51.8 -60.7 -44.3 14.4 4.9 80.8 98 147 A K H < S+ 0 0 122 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.938 119.6 33.8 -58.2 -46.2 17.2 3.5 83.0 99 148 A S H < S+ 0 0 79 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.839 130.1 30.2 -79.3 -30.8 15.2 0.5 84.1 100 149 A D H X S+ 0 0 39 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.395 82.7 100.3-117.8 -1.0 13.1 -0.2 81.0 101 150 A W H X S+ 0 0 14 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.921 86.7 50.6 -55.8 -47.1 15.1 0.9 77.9 102 151 A A H > S+ 0 0 79 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.924 112.1 48.2 -56.6 -42.9 16.2 -2.7 77.1 103 152 A E H > S+ 0 0 112 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 112.9 46.8 -63.3 -44.8 12.5 -3.8 77.3 104 153 A I H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.895 111.4 51.0 -69.8 -37.1 11.3 -1.0 75.1 105 154 A V H X S+ 0 0 3 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.941 112.2 47.6 -60.8 -45.5 14.0 -1.5 72.5 106 155 A A H X S+ 0 0 44 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.912 112.8 48.5 -60.8 -41.3 13.1 -5.2 72.4 107 156 A F H X S+ 0 0 92 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.908 111.5 50.3 -65.8 -40.9 9.4 -4.4 72.1 108 157 A T H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 3,-0.3 0.930 109.9 50.1 -61.3 -45.8 10.1 -1.9 69.3 109 158 A R H < S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.762 101.7 62.5 -69.4 -23.7 12.2 -4.5 67.5 110 159 A K H < S+ 0 0 166 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.934 116.4 31.0 -63.0 -44.2 9.3 -7.1 67.7 111 160 A G H < S+ 0 0 61 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.802 134.4 31.8 -79.8 -31.7 7.2 -4.7 65.7 112 161 A L >< + 0 0 22 -4,-2.6 3,-2.3 -5,-0.2 -1,-0.2 -0.779 64.1 178.2-130.9 79.3 10.0 -3.2 63.6 113 162 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.808 81.6 61.9 -58.5 -27.5 12.7 -5.9 63.1 114 163 A E T 3 S+ 0 0 124 -3,-0.1 -5,-0.1 2,-0.1 -94,-0.0 0.572 80.3 107.9 -68.4 -14.8 14.7 -3.4 61.0 115 164 A Y S < S- 0 0 0 -3,-2.3 -3,-0.0 -7,-0.2 -73,-0.0 -0.462 77.1-109.5 -71.4 138.4 15.0 -1.0 64.0 116 165 A P - 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