==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUL-11 3SW3 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR H.DELBRUCK,K.M.V.HOFFMANN . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 17.1 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 . 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 . 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 . 40 19.5 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 1 0 0 1 0 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 . 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 0 144 0, 0.0 2,-0.6 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 168.2 24.3 -0.5 28.7 2 42 A G - 0 0 20 2,-0.0 16,-2.8 17,-0.0 17,-0.7 -0.875 360.0 -8.9 121.5 -88.7 20.7 -0.0 27.3 3 43 A M E +A 17 0A 25 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.990 69.6 179.8-137.3 133.2 21.0 2.7 24.7 4 44 A S E -A 16 0A 42 12,-1.6 12,-2.0 -2,-0.3 2,-0.4 -0.969 17.7-155.0-135.4 155.6 24.1 4.9 24.1 5 45 A L E +A 15 0A 32 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.989 20.9 174.3-128.3 115.0 25.0 7.7 21.7 6 46 A T E -A 14 0A 82 8,-2.3 8,-2.8 -2,-0.4 2,-0.2 -0.973 33.1-112.4-125.8 136.1 28.7 8.2 20.9 7 47 A Q E -A 13 0A 110 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.466 26.3-177.7 -61.8 136.3 30.3 10.6 18.4 8 48 A V E S- 0 0 43 4,-3.6 2,-0.2 1,-0.2 5,-0.2 0.838 70.5 -29.1 -95.6 -52.9 32.0 9.0 15.4 9 49 A S E > S-A 12 0A 51 3,-1.8 3,-2.3 1,-0.1 -1,-0.2 -0.844 105.8 -39.6-166.2 126.9 33.4 12.1 13.6 10 50 A G T 3 S- 0 0 39 1,-0.3 -2,-0.2 -2,-0.2 -1,-0.1 -0.219 128.8 -7.2 48.7-127.0 31.9 15.6 13.6 11 51 A P T 3 S+ 0 0 39 0, 0.0 18,-2.6 0, 0.0 2,-0.5 0.502 113.9 100.5 -79.4 -2.2 28.1 15.6 13.5 12 52 A V E < +AB 9 28A 0 -3,-2.3 -4,-3.6 16,-0.2 -3,-1.8 -0.772 49.1 175.0 -91.3 126.6 28.0 11.8 12.9 13 53 A Y E -AB 7 27A 39 14,-2.8 14,-2.5 -2,-0.5 2,-0.4 -0.931 23.1-134.5-129.2 151.1 27.2 9.6 15.9 14 54 A V E -AB 6 26A 26 -8,-2.8 -8,-2.3 -2,-0.3 2,-0.5 -0.857 14.0-144.9-109.3 138.7 26.6 5.9 16.4 15 55 A V E -AB 5 25A 0 10,-3.3 10,-1.7 -2,-0.4 2,-0.6 -0.913 5.0-158.6-103.0 129.9 23.8 4.4 18.5 16 56 A E E -AB 4 24A 72 -12,-2.0 -12,-1.6 -2,-0.5 2,-0.7 -0.946 10.1-174.6-111.3 112.2 24.3 1.3 20.5 17 57 A D E +AB 3 23A 0 6,-2.6 6,-1.9 -2,-0.6 -14,-0.2 -0.938 10.5 174.9-114.4 107.2 21.0 -0.4 21.2 18 58 A N + 0 0 60 -16,-2.8 4,-0.2 -2,-0.7 -15,-0.1 0.437 41.7 116.7 -98.3 -3.2 21.5 -3.4 23.5 19 59 A Y S S- 0 0 89 -17,-0.7 2,-0.8 2,-0.1 22,-0.1 -0.380 90.4 -20.6 -59.0 141.2 17.7 -4.1 23.9 20 60 A Y S S- 0 0 76 -2,-0.1 2,-0.4 2,-0.0 -2,-0.0 -0.421 139.5 -0.2 65.7-102.2 16.6 -7.4 22.5 21 67 A V S S- 0 0 81 -2,-0.8 -2,-0.1 91,-0.0 -4,-0.1 -0.985 98.0 -92.8-118.9 138.9 19.4 -8.3 20.1 22 68 A Q + 0 0 46 -2,-0.4 183,-0.5 -4,-0.2 2,-0.3 -0.145 50.8 176.4 -55.9 144.9 22.2 -5.8 19.8 23 69 A E E -B 17 0A 0 -6,-1.9 -6,-2.6 181,-0.2 2,-0.5 -0.992 21.3-146.9-159.0 121.7 21.7 -3.3 17.0 24 70 A N E +B 16 0A 14 179,-3.3 2,-0.2 -2,-0.3 -8,-0.2 -0.905 22.7 170.2 -97.1 132.2 23.7 -0.2 15.8 25 71 A S E -B 15 0A 0 -10,-1.7 -10,-3.3 -2,-0.5 2,-0.3 -0.694 22.6-125.5-123.8 178.6 21.9 2.8 14.3 26 72 A M E -BC 14 37A 0 11,-2.5 11,-2.6 -12,-0.2 2,-0.4 -0.921 10.7-158.7-130.9 160.9 23.2 6.3 13.4 27 73 A V E -BC 13 36A 0 -14,-2.5 -14,-2.8 -2,-0.3 2,-0.6 -0.992 2.6-164.8-141.5 127.1 22.5 10.0 14.2 28 74 A Y E -BC 12 35A 15 7,-2.4 7,-2.3 -2,-0.4 2,-1.1 -0.968 10.2-153.3-110.7 116.6 23.5 13.0 12.1 29 75 A F E - C 0 34A 27 -18,-2.6 5,-0.2 -2,-0.6 2,-0.1 -0.752 29.1-178.3 -94.3 96.1 23.2 16.3 13.9 30 76 A G - 0 0 11 3,-1.8 3,-0.3 -2,-1.1 29,-0.1 -0.291 40.9 -97.7 -96.6 177.0 22.7 18.7 11.1 31 77 A A S S+ 0 0 72 1,-0.3 3,-0.1 103,-0.1 -1,-0.0 0.790 122.3 29.3 -64.2 -33.8 22.3 22.5 10.7 32 78 A K S S- 0 0 146 1,-0.4 2,-0.3 27,-0.1 -1,-0.3 0.487 131.6 -53.4-104.0 -8.8 18.5 22.4 10.5 33 79 A G - 0 0 0 -3,-0.3 -3,-1.8 26,-0.2 -1,-0.4 -0.965 66.6 -53.5 152.4-175.7 18.0 19.4 12.6 34 80 A V E -Cd 29 61A 0 26,-2.3 28,-2.5 -2,-0.3 29,-1.0 -0.767 29.9-156.7-110.7 134.7 18.7 15.8 13.4 35 81 A T E -Cd 28 63A 0 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.4 -0.974 9.7-155.1-109.4 125.6 18.4 12.8 11.1 36 82 A V E -Cd 27 64A 0 27,-2.6 29,-2.1 -2,-0.5 2,-0.6 -0.875 1.1-158.5-100.6 134.7 18.0 9.3 12.7 37 83 A V E S+Cd 26 65A 0 -11,-2.6 -11,-2.5 -2,-0.4 29,-0.1 -0.953 74.3 17.2-119.1 102.5 19.2 6.3 10.7 38 84 A G S S- 0 0 0 27,-2.3 -1,-0.2 -2,-0.6 28,-0.2 0.486 73.4-131.5 94.7 118.5 17.4 3.2 12.0 39 85 A A - 0 0 0 34,-2.5 34,-0.2 1,-0.2 35,-0.2 0.547 43.9-125.9 -74.3 -7.0 14.3 3.7 14.2 40 86 A T - 0 0 0 32,-0.6 36,-1.7 1,-0.1 37,-0.2 -0.065 38.6 -65.5 74.1 173.2 15.5 1.2 16.9 41 87 A W S S+ 0 0 16 34,-0.2 -1,-0.1 35,-0.1 33,-0.1 0.842 105.2 6.5 -64.7 -51.5 13.5 -1.8 18.1 42 88 A T S > S- 0 0 4 -3,-0.1 4,-1.7 34,-0.1 34,-0.2 -0.834 73.9-104.4-129.1 166.6 10.3 -0.4 19.8 43 89 A P H > S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.873 122.6 56.0 -56.2 -35.7 8.6 2.9 20.4 44 90 A D H > S+ 0 0 101 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.856 106.7 47.4 -68.1 -37.7 9.9 2.7 24.0 45 91 A T H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.824 108.6 55.7 -69.0 -34.8 13.6 2.3 22.8 46 92 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.937 105.0 52.8 -62.3 -45.2 13.1 5.3 20.4 47 93 A R H X S+ 0 0 98 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.919 108.5 51.0 -52.7 -46.6 12.0 7.4 23.4 48 94 A E H X S+ 0 0 69 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.896 112.0 46.6 -61.0 -41.3 15.2 6.4 25.2 49 95 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.866 106.8 56.9 -66.2 -43.1 17.2 7.4 22.1 50 96 A H H X S+ 0 0 24 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.897 103.5 55.3 -53.6 -43.9 15.4 10.7 21.8 51 97 A K H < S+ 0 0 104 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.850 108.7 47.1 -61.7 -33.4 16.5 11.6 25.3 52 98 A L H >< S+ 0 0 24 -4,-1.0 3,-1.4 -3,-0.2 4,-0.5 0.939 109.1 54.1 -73.9 -44.6 20.1 11.0 24.4 53 99 A I H >X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 3,-1.5 0.867 102.8 58.9 -50.3 -41.7 19.8 13.0 21.2 54 100 A K T 3< S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 94.3 63.4 -70.7 -15.6 18.5 16.0 23.3 55 102 A R T <4 S+ 0 0 205 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.625 112.1 38.1 -77.5 -17.0 21.6 16.1 25.5 56 103 A V T <4 S- 0 0 71 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.832 132.9 -5.9 -98.6 -45.3 23.6 17.0 22.3 57 104 A S < - 0 0 27 -4,-2.0 -1,-0.4 2,-0.1 -23,-0.0 -0.984 40.9-154.0-152.3 143.6 21.1 19.3 20.5 58 105 A R + 0 0 204 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.397 59.1 124.9 -94.2 -3.1 17.5 20.5 20.9 59 106 A K S S- 0 0 105 1,-0.1 -25,-0.2 -29,-0.1 -26,-0.2 -0.316 75.4 -85.2 -54.9 141.2 17.1 21.1 17.1 60 108 A P - 0 0 84 0, 0.0 -26,-2.3 0, 0.0 2,-0.8 -0.097 31.1-116.8 -57.2 148.6 14.1 19.2 15.8 61 109 A V E -d 34 0A 11 22,-0.2 -26,-0.2 -28,-0.2 3,-0.1 -0.826 35.4-175.3 -81.5 110.5 14.3 15.5 14.7 62 110 A L E - 0 0 52 -28,-2.5 24,-3.0 -2,-0.8 2,-0.3 0.901 54.9 -15.6 -80.9 -44.7 13.4 16.0 11.1 63 111 A E E -de 35 86A 23 -29,-1.0 -27,-2.6 22,-0.3 2,-0.4 -0.991 46.4-142.5-159.5 159.3 13.2 12.4 10.0 64 112 A V E -de 36 87A 0 22,-2.3 24,-3.3 -2,-0.3 2,-0.5 -0.980 23.8-139.9-126.8 137.1 14.0 8.7 10.8 65 113 A I E -de 37 88A 0 -29,-2.1 -27,-2.3 -2,-0.4 2,-0.9 -0.903 3.0-147.8-102.0 122.8 15.1 6.3 8.0 66 114 A N - 0 0 0 22,-2.9 24,-0.4 -2,-0.5 8,-0.1 -0.850 13.7-169.6 -81.1 103.1 13.8 2.7 7.9 67 115 A T S S- 0 0 6 -2,-0.9 85,-2.4 6,-0.2 2,-0.3 0.568 74.6 -1.8 -80.0 -14.4 17.0 1.1 6.3 68 116 A N S S- 0 0 14 83,-0.2 -1,-0.1 2,-0.2 -30,-0.0 -0.936 80.5-103.1-153.1 179.2 14.9 -2.0 5.9 69 117 A Y S S+ 0 0 24 -2,-0.3 35,-0.1 -3,-0.1 5,-0.1 0.489 79.5 117.4 -80.5 -3.7 11.4 -3.1 6.7 70 118 A H S >> S- 0 0 38 1,-0.1 4,-1.6 3,-0.1 3,-1.3 -0.213 78.1-110.6 -70.8 159.5 12.5 -5.2 9.8 71 119 A T H 3> S+ 0 0 4 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.819 115.6 56.9 -57.4 -33.2 11.5 -4.6 13.4 72 120 A D H 34 S+ 0 0 11 1,-0.2 -32,-0.6 2,-0.2 -1,-0.3 0.711 116.1 35.5 -75.0 -16.0 15.0 -3.5 14.4 73 121 A R H <4 S+ 0 0 8 -3,-1.3 -34,-2.5 -34,-0.2 -6,-0.2 0.604 133.0 24.7-105.6 -14.7 15.0 -0.7 11.8 74 122 A A H >< S+ 0 0 1 -4,-1.6 3,-2.6 -36,-0.2 4,-0.2 0.517 88.7 96.6-127.3 -15.7 11.3 0.3 11.9 75 123 A G T >< S+ 0 0 5 -4,-2.1 3,-0.6 -5,-0.4 -34,-0.2 0.804 83.2 55.7 -55.6 -35.5 9.9 -0.6 15.3 76 124 A G T >> S+ 0 0 0 -36,-1.7 4,-1.4 -34,-0.2 3,-1.1 0.453 76.5 107.7 -74.1 -3.5 10.4 2.8 16.9 77 125 A N H <> S+ 0 0 3 -3,-2.6 4,-2.5 1,-0.3 3,-0.3 0.838 71.4 55.7 -46.6 -48.9 8.3 4.4 14.0 78 126 A A H <> S+ 0 0 48 -3,-0.6 4,-1.5 1,-0.3 -1,-0.3 0.845 109.3 48.8 -55.4 -36.6 5.2 5.2 16.2 79 127 A Y H <> S+ 0 0 30 -3,-1.1 4,-0.8 -4,-0.2 -1,-0.3 0.861 110.4 50.8 -68.9 -35.5 7.4 7.2 18.6 80 128 A W H ><>S+ 0 0 0 -4,-1.4 5,-1.8 -3,-0.3 3,-1.1 0.953 108.8 49.1 -76.0 -45.4 9.0 9.1 15.8 81 129 A K H ><5S+ 0 0 77 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.897 105.0 62.2 -53.0 -38.1 5.8 10.2 14.1 82 130 A S H 3<5S+ 0 0 87 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.709 103.6 47.4 -66.1 -22.8 4.6 11.3 17.6 83 131 A I T <<5S- 0 0 57 -3,-1.1 -1,-0.3 -4,-0.8 -22,-0.2 0.225 123.2-102.5-101.1 16.6 7.3 13.9 17.9 84 133 A G T < 5S+ 0 0 68 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.550 73.2 143.5 79.8 9.8 6.7 15.3 14.3 85 134 A A < - 0 0 3 -5,-1.8 -22,-0.3 1,-0.1 -1,-0.3 -0.672 51.9-119.1 -85.8 132.1 9.6 13.5 12.6 86 135 A K E -e 63 0A 111 -24,-3.0 -22,-2.3 -2,-0.4 2,-0.6 -0.355 19.1-133.2 -58.6 148.6 9.1 12.2 9.0 87 136 A V E -e 64 0A 0 -24,-0.2 38,-1.9 35,-0.1 37,-1.7 -0.956 28.0-162.4-110.5 115.1 9.5 8.5 8.5 88 137 A V E +ef 65 125A 1 -24,-3.3 -22,-2.9 -2,-0.6 2,-0.3 -0.755 20.4 144.5-109.8 138.1 11.6 7.8 5.4 89 138 A S E - f 0 126A 0 36,-1.8 38,-2.6 -2,-0.3 -22,-0.1 -0.978 46.7 -98.6-158.0 161.1 12.1 4.7 3.3 90 139 A T E > - f 0 127A 12 -24,-0.4 4,-2.0 -2,-0.3 38,-0.2 -0.326 45.0-107.4 -68.3 162.8 12.7 3.5 -0.3 91 140 A R H > S+ 0 0 120 36,-2.6 4,-3.0 2,-0.2 5,-0.2 0.905 119.9 54.2 -59.1 -40.0 9.6 2.3 -2.1 92 141 A Q H > S+ 0 0 73 35,-0.3 4,-3.0 1,-0.2 5,-0.2 0.951 108.8 47.7 -63.3 -49.0 10.6 -1.3 -1.9 93 142 A T H > S+ 0 0 0 57,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 112.6 49.6 -53.0 -45.3 11.0 -1.1 1.9 94 143 A R H X S+ 0 0 61 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.958 113.8 44.9 -66.8 -48.4 7.6 0.6 2.2 95 144 A D H X S+ 0 0 64 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.880 113.3 49.8 -60.4 -44.9 5.9 -2.0 0.1 96 145 A L H X S+ 0 0 32 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.873 109.4 53.7 -61.4 -40.7 7.6 -4.9 1.9 97 146 A M H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.862 107.6 48.7 -61.9 -38.3 6.6 -3.4 5.2 98 147 A K H < S+ 0 0 126 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.938 120.3 39.3 -68.5 -40.0 2.9 -3.3 4.2 99 148 A S H < S+ 0 0 73 -4,-1.9 -2,-0.2 1,-0.2 4,-0.2 0.911 129.8 22.0 -67.1 -49.5 3.0 -6.9 3.1 100 149 A D H X S+ 0 0 56 -4,-2.7 4,-2.3 -5,-0.1 -1,-0.2 0.165 85.4 102.7-120.2 7.8 5.2 -8.5 5.6 101 150 A W H X S+ 0 0 11 -4,-1.2 4,-2.2 2,-0.2 5,-0.3 0.953 86.7 48.9 -65.8 -55.2 5.1 -6.5 8.9 102 151 A A H > S+ 0 0 68 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.892 114.0 49.7 -44.9 -46.6 2.7 -8.8 10.7 103 152 A E H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.874 110.5 47.3 -66.4 -40.5 5.0 -11.7 9.6 104 153 A I H X S+ 0 0 19 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.822 112.1 50.0 -74.7 -27.1 8.3 -10.1 10.8 105 154 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.855 110.8 50.4 -72.4 -39.8 6.8 -9.1 14.2 106 155 A A H X S+ 0 0 62 -4,-1.9 4,-0.8 -5,-0.3 -2,-0.2 0.917 113.0 46.6 -62.2 -41.8 5.5 -12.7 14.6 107 156 A F H >X S+ 0 0 143 -4,-2.0 4,-1.2 2,-0.2 3,-0.9 0.929 111.3 51.3 -64.4 -44.7 9.0 -14.0 13.7 108 157 A T H 3X S+ 0 0 12 -4,-2.1 4,-1.5 1,-0.2 3,-0.4 0.946 108.4 51.6 -60.9 -43.2 10.6 -11.4 16.1 109 158 A R H 3< S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.682 99.7 67.0 -67.6 -16.4 8.3 -12.6 18.9 110 159 A K H << S+ 0 0 178 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.939 114.3 25.8 -67.1 -52.7 9.3 -16.2 18.3 111 160 A G H < S+ 0 0 65 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.619 135.3 37.6 -85.6 -14.3 12.9 -15.8 19.4 112 161 A L >< + 0 0 44 -4,-1.5 3,-1.8 -5,-0.2 -1,-0.2 -0.727 64.5 178.7-141.5 84.2 12.1 -12.8 21.7 113 162 A P T 3 S+ 0 0 103 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.620 79.4 61.4 -70.3 -17.5 8.7 -13.3 23.5 114 163 A E T 3 S+ 0 0 178 2,-0.1 -5,-0.1 -94,-0.0 -94,-0.0 0.454 78.1 110.3 -81.0 -7.9 8.9 -10.0 25.4 115 164 A Y S < S- 0 0 1 -3,-1.8 -3,-0.1 -7,-0.2 -73,-0.0 -0.543 76.7-112.5 -67.5 131.6 9.0 -8.1 22.1 116 165 A P - 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