==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-08 3BYD . COMPND 2 MOLECULE: BETA-LACTAMASE OXY-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA OXYTOCA; . AUTHOR Y.-H.LIANG,S.W.WU,X.-D.SU . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 0 0 0 0 0 2 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 0 1 0 1 1 1 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 . 2 0 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 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 31 A D > 0 0 150 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 161.5 -38.4 69.7 6.1 2 32 A A H > + 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.799 360.0 57.0 -64.0 -33.2 -41.3 69.7 8.5 3 33 A I H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.944 106.1 47.4 -64.6 -47.8 -38.6 68.7 11.1 4 34 A Q H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.883 115.8 45.5 -58.6 -40.6 -36.5 71.8 10.3 5 35 A Q H X S+ 0 0 115 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.877 110.6 52.5 -71.1 -41.2 -39.5 74.0 10.5 6 36 A K H X S+ 0 0 105 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.838 111.2 47.4 -64.4 -34.5 -40.8 72.4 13.8 7 37 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.885 111.2 50.5 -73.9 -37.2 -37.4 72.9 15.4 8 38 A A H X S+ 0 0 27 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.884 112.7 47.8 -63.7 -38.6 -37.3 76.5 14.2 9 39 A D H X S+ 0 0 89 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.862 110.4 50.1 -70.5 -42.1 -40.8 77.0 15.7 10 40 A L H X S+ 0 0 31 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.918 112.0 50.5 -57.9 -47.7 -39.8 75.3 19.0 11 41 A E H X>S+ 0 0 18 -4,-2.7 5,-1.2 2,-0.2 4,-0.7 0.908 111.4 46.1 -56.2 -48.7 -36.8 77.7 19.1 12 42 A K H ><5S+ 0 0 183 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.926 113.7 49.1 -64.7 -44.4 -38.9 80.8 18.5 13 43 A R H 3<5S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 108.3 54.0 -59.0 -42.3 -41.5 79.8 21.1 14 44 A S H 3<5S- 0 0 7 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.585 104.0-128.1 -73.2 -17.3 -38.9 79.1 23.8 15 45 A G T <<5S+ 0 0 48 -3,-0.9 2,-0.2 -4,-0.7 -3,-0.2 0.711 75.0 74.9 74.7 22.8 -37.3 82.5 23.5 16 46 A G S >> -AB 230 29A 33 5,-2.8 4,-1.9 -2,-0.5 3,-1.0 -0.878 0.4-163.2 -97.7 109.4 -28.9 57.4 13.4 25 55 A T T 345S+ 0 0 27 204,-1.8 205,-0.1 -2,-0.7 -1,-0.1 0.563 80.0 78.2 -72.2 -6.6 -26.4 54.5 13.4 26 56 A A T 345S- 0 0 68 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.917 126.8 -6.2 -62.7 -41.1 -28.8 52.4 11.3 27 57 A D T <45S- 0 0 101 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.265 95.6-111.2-138.4 6.9 -27.7 54.3 8.2 28 58 A D T <5 + 0 0 95 -4,-1.9 -3,-0.2 1,-0.2 2,-0.0 0.562 62.5 156.3 65.4 10.6 -25.5 57.2 9.5 29 59 A S E < -B 24 0A 51 -5,-0.6 -5,-2.8 -6,-0.1 2,-0.4 -0.347 28.3-149.9 -65.2 150.2 -28.1 59.8 8.6 30 60 A Q E -B 23 0A 92 -7,-0.2 2,-0.5 2,-0.0 -7,-0.2 -0.923 14.1-161.5-122.9 146.4 -28.0 63.0 10.6 31 61 A T E -B 22 0A 34 -9,-2.1 -9,-2.6 -2,-0.4 2,-0.3 -0.985 26.9-179.0-125.8 116.0 -30.7 65.5 11.6 32 62 A L E +B 21 0A 47 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.891 24.0 179.8-123.6 147.1 -29.1 68.9 12.5 33 63 A Y E S-B 20 0A 23 -13,-2.6 -13,-2.8 -2,-0.3 4,-0.1 -0.935 89.3 -18.3-144.1 123.3 -30.3 72.2 13.7 34 64 A R S > S+ 0 0 93 -2,-0.3 3,-1.5 -15,-0.2 123,-0.1 0.887 90.8 159.7 43.0 42.3 -27.6 75.0 14.3 35 65 A G T 3 + 0 0 6 1,-0.3 122,-2.2 121,-0.1 123,-0.5 0.705 65.9 44.3 -71.3 -19.9 -25.5 71.8 14.3 36 66 A D T 3 S+ 0 0 125 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.166 91.4 103.1-110.3 14.9 -22.3 73.8 13.6 37 67 A E S < S- 0 0 66 -3,-1.5 2,-0.2 -4,-0.1 120,-0.1 -0.781 74.3-113.5 -95.4 144.1 -22.9 76.6 16.1 38 68 A R + 0 0 79 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.510 35.3 176.2 -75.9 142.0 -21.0 76.8 19.4 39 69 A F E -E 154 0B 3 115,-2.3 115,-2.0 -2,-0.2 2,-0.3 -0.976 40.2 -97.7-139.9 147.7 -22.9 76.4 22.7 40 70 A A E -E 153 0B 14 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.494 29.8-154.0 -67.6 127.3 -21.6 76.2 26.3 41 71 A M > + 0 0 1 111,-2.4 3,-1.8 -2,-0.3 -1,-0.1 0.812 21.4 177.5 -74.4 -32.1 -21.3 72.6 27.3 42 72 A C G > S- 0 0 1 110,-0.5 3,-2.0 100,-0.5 -1,-0.2 -0.291 72.1 -10.6 51.4-139.3 -21.7 73.1 31.0 43 73 A S G > S+ 0 0 7 167,-0.3 3,-1.9 1,-0.3 4,-0.3 0.601 121.0 81.3 -69.8 -8.3 -21.7 69.6 32.8 44 74 A T G X S+ 0 0 1 -3,-1.8 3,-1.3 1,-0.3 4,-0.5 0.777 80.7 71.0 -61.9 -21.4 -22.0 67.7 29.4 45 75 A G G <> S+ 0 0 1 -3,-2.0 4,-1.4 1,-0.2 3,-0.4 0.673 78.0 78.3 -63.6 -21.0 -18.2 68.3 29.3 46 76 A K H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.771 83.9 62.8 -61.1 -27.0 -17.9 65.8 32.2 47 77 A V H <> S+ 0 0 4 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.937 102.6 47.9 -63.4 -44.9 -18.3 63.0 29.6 48 78 A M H > S+ 0 0 3 -4,-0.5 4,-1.9 -3,-0.4 -2,-0.2 0.866 111.8 50.5 -64.5 -40.1 -15.1 64.0 27.8 49 79 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.919 111.1 47.8 -61.5 -48.5 -13.2 64.2 31.1 50 80 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.924 112.0 50.5 -60.1 -41.8 -14.3 60.7 32.2 51 81 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.855 107.2 53.9 -66.0 -36.3 -13.4 59.3 28.8 52 82 A A H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.882 109.7 47.5 -63.8 -39.1 -9.9 60.9 29.0 53 83 A V H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.925 111.3 51.4 -64.8 -47.4 -9.4 59.2 32.4 54 84 A L H X S+ 0 0 5 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.899 109.3 51.4 -55.7 -41.2 -10.7 55.9 30.9 55 85 A K H >X S+ 0 0 93 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.920 107.6 50.1 -64.2 -47.2 -8.2 56.2 28.0 56 86 A Q H >X S+ 0 0 68 -4,-2.0 4,-1.7 1,-0.2 3,-1.0 0.882 104.9 60.8 -58.5 -33.6 -5.2 56.8 30.3 57 87 A S H 3< S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.739 87.6 73.7 -67.6 -21.7 -6.3 53.7 32.2 58 88 A E H << S+ 0 0 66 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.862 116.7 16.7 -59.2 -35.8 -5.8 51.5 29.1 59 89 A S H << S+ 0 0 111 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.571 119.4 67.1-113.7 -15.1 -2.0 51.7 29.4 60 90 A N < - 0 0 55 -4,-1.7 3,-0.4 1,-0.1 -1,-0.1 -0.950 59.1-163.7-114.9 113.0 -1.5 52.9 33.0 61 91 A P S S+ 0 0 126 0, 0.0 4,-0.2 0, 0.0 2,-0.1 0.470 82.8 68.8 -77.1 -0.6 -2.5 50.4 35.7 62 92 A E S S+ 0 0 138 2,-0.1 -5,-0.0 1,-0.1 0, 0.0 -0.389 84.9 75.0-112.2 51.4 -2.5 53.1 38.5 63 93 A V S > S+ 0 0 0 -3,-0.4 3,-0.9 -6,-0.1 29,-0.6 0.640 85.4 42.0-122.7 -70.0 -5.5 55.1 37.2 64 94 A V T 3 S+ 0 0 46 1,-0.3 29,-2.2 28,-0.2 30,-0.4 0.818 127.1 31.7 -64.4 -31.6 -9.0 53.7 37.8 65 95 A N T 3 S+ 0 0 122 -4,-0.2 -1,-0.3 27,-0.2 2,-0.2 0.441 86.1 125.2-104.5 3.3 -8.4 52.5 41.4 66 96 A K < - 0 0 85 -3,-0.9 26,-1.4 1,-0.1 2,-0.4 -0.415 59.8-132.2 -60.1 125.3 -5.9 55.2 42.3 67 97 A R E -F 91 0C 144 24,-0.2 2,-0.4 -2,-0.2 24,-0.3 -0.728 20.6-162.8 -87.7 130.2 -7.2 56.8 45.5 68 98 A L E -F 90 0C 31 22,-3.3 22,-2.4 -2,-0.4 2,-0.3 -0.902 17.7-123.7-112.7 139.6 -7.3 60.6 45.7 69 99 A E - 0 0 138 -2,-0.4 2,-0.6 20,-0.2 17,-0.1 -0.576 16.6-149.4 -73.6 136.3 -7.7 62.8 48.8 70 100 A I - 0 0 3 16,-0.4 2,-0.2 15,-0.3 19,-0.1 -0.949 14.0-157.5-109.3 112.5 -10.6 65.2 48.9 71 101 A K >> - 0 0 111 -2,-0.6 3,-1.4 1,-0.1 4,-0.5 -0.583 26.5-121.8 -83.1 150.7 -9.7 68.3 51.0 72 102 A K G >4 S+ 0 0 167 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.882 117.9 57.4 -56.8 -35.9 -12.4 70.4 52.5 73 103 A S G 34 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.661 95.4 65.6 -69.0 -18.5 -10.9 73.2 50.5 74 104 A D G <4 S+ 0 0 42 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.701 79.6 107.4 -69.9 -23.9 -11.4 71.2 47.3 75 105 A L << + 0 0 56 -3,-1.2 2,-0.2 -4,-0.5 3,-0.1 -0.394 42.4 172.4 -74.3 133.0 -15.2 71.4 47.6 76 106 A V - 0 0 44 1,-0.2 30,-0.3 -2,-0.1 3,-0.2 -0.730 44.9 -63.8-123.1 173.6 -17.2 73.6 45.3 77 107 A V S S+ 0 0 88 -2,-0.2 28,-0.2 1,-0.2 -1,-0.2 -0.194 115.2 28.7 -59.0 150.6 -21.0 74.0 44.8 78 108 A W S S+ 0 0 207 1,-0.1 27,-2.5 27,-0.1 -1,-0.2 0.944 76.7 132.5 61.7 53.0 -23.0 71.0 43.5 79 109 A S > + 0 0 3 25,-0.3 4,-1.9 -3,-0.2 5,-0.2 -0.495 14.7 155.9-126.3 61.9 -20.7 68.3 45.0 80 110 A P T 4 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.715 76.2 36.5 -66.2 -22.5 -23.2 65.9 46.7 81 111 A I T >4 S+ 0 0 39 2,-0.1 3,-1.7 -3,-0.1 4,-0.2 0.903 115.6 47.5 -94.2 -54.6 -20.9 62.8 46.5 82 112 A T G >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 7,-0.1 0.834 103.5 64.7 -59.4 -36.4 -17.4 64.2 47.1 83 113 A E G 3< S+ 0 0 93 -4,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.700 101.0 52.4 -59.5 -17.9 -18.6 66.2 50.1 84 114 A K G < S+ 0 0 153 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.394 103.5 58.8 -96.0 -0.0 -19.4 62.9 51.9 85 115 A H <> + 0 0 69 -3,-1.9 4,-2.3 -4,-0.2 -15,-0.3 -0.035 57.5 120.8-125.2 33.0 -16.0 61.4 51.3 86 116 A L T 4 S+ 0 0 48 -3,-0.4 -16,-0.4 1,-0.2 -1,-0.1 0.865 87.7 36.5 -61.4 -38.7 -13.5 63.8 53.0 87 117 A Q T 4 S+ 0 0 198 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.865 123.2 41.2 -81.3 -40.5 -12.3 61.0 55.3 88 118 A S T 4 S- 0 0 56 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.787 91.8-151.6 -78.2 -28.7 -12.4 58.1 52.9 89 119 A G < - 0 0 8 -4,-2.3 2,-0.3 -19,-0.1 -20,-0.2 -0.134 17.9-107.4 67.0 178.7 -11.1 59.8 49.7 90 120 A M E -F 68 0C 4 -22,-2.4 -22,-3.3 -4,-0.1 2,-0.1 -0.996 14.4-120.2-144.8 145.8 -12.2 58.5 46.4 91 121 A T E > -F 67 0C 9 -2,-0.3 4,-2.6 -24,-0.3 -24,-0.2 -0.369 34.4-110.3 -76.0 160.5 -10.8 56.5 43.4 92 122 A L H > S+ 0 0 0 -26,-1.4 4,-2.5 -29,-0.6 -28,-0.2 0.884 121.9 52.0 -60.1 -35.5 -10.7 58.0 39.9 93 123 A A H > S+ 0 0 20 -29,-2.2 4,-2.6 -30,-0.2 -1,-0.2 0.904 110.7 47.5 -63.3 -42.9 -13.4 55.5 38.9 94 124 A E H > S+ 0 0 91 -30,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.859 113.2 48.1 -66.4 -38.6 -15.6 56.6 41.8 95 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.906 111.2 50.4 -67.5 -41.2 -14.9 60.3 41.0 96 126 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.947 111.9 47.9 -61.9 -46.9 -15.8 59.7 37.3 97 127 A A H X S+ 0 0 16 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.885 112.5 48.9 -58.1 -43.5 -19.0 57.9 38.3 98 128 A A H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 6,-1.7 0.909 111.7 49.4 -64.8 -43.9 -19.9 60.8 40.7 99 129 A A H < S+ 0 0 0 -4,-2.8 4,-0.5 4,-0.3 -2,-0.2 0.902 119.5 37.5 -59.7 -44.7 -19.2 63.4 38.0 100 130 A L H < S+ 0 0 1 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.868 125.2 34.4 -77.2 -37.5 -21.3 61.5 35.4 101 131 A Q H < S+ 0 0 38 -4,-2.8 87,-2.1 -5,-0.2 88,-0.2 0.731 135.0 21.0 -97.3 -24.3 -24.2 60.3 37.5 102 132 A Y S < S- 0 0 105 -4,-2.0 -3,-0.2 -5,-0.3 3,-0.2 0.238 97.8-122.2-124.6 4.1 -24.6 63.1 40.1 103 133 A S - 0 0 20 -4,-0.5 2,-0.3 -6,-0.2 -4,-0.3 0.851 40.6-171.1 54.4 40.5 -22.9 65.8 38.1 104 134 A D > - 0 0 0 -6,-1.7 4,-1.7 1,-0.2 -25,-0.3 -0.471 13.7-162.4 -71.3 121.6 -20.5 66.3 41.0 105 135 A N H > S+ 0 0 3 -27,-2.5 4,-2.4 -2,-0.3 34,-0.3 0.884 88.3 50.8 -77.2 -42.7 -18.5 69.4 40.4 106 136 A T H > S+ 0 0 0 -30,-0.3 4,-2.6 2,-0.2 5,-0.2 0.924 108.3 55.2 -59.4 -42.2 -15.6 68.7 42.8 107 137 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.934 107.6 48.9 -56.8 -47.7 -15.3 65.2 41.2 108 138 A M H X S+ 0 0 1 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.930 110.2 51.5 -54.8 -48.8 -14.9 66.9 37.8 109 139 A N H X S+ 0 0 23 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.886 108.5 50.6 -56.7 -44.0 -12.2 69.2 39.2 110 140 A K H X S+ 0 0 37 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.867 112.4 47.7 -60.3 -41.1 -10.3 66.3 40.7 111 141 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.930 111.9 48.7 -65.6 -45.7 -10.4 64.6 37.3 112 142 A I H X>S+ 0 0 1 -4,-3.0 5,-3.0 1,-0.2 4,-1.4 0.918 113.9 47.7 -58.8 -45.0 -9.3 67.7 35.5 113 143 A S H <5S+ 0 0 88 -4,-2.8 3,-0.2 3,-0.2 -1,-0.2 0.922 110.7 50.5 -64.4 -44.1 -6.4 68.2 38.0 114 144 A Y H <5S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.906 109.7 50.8 -58.3 -45.3 -5.3 64.6 37.7 115 145 A L H <5S- 0 0 19 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.757 127.1 -97.9 -66.3 -27.8 -5.3 64.7 33.9 116 146 A G T <5S- 0 0 53 -4,-1.4 -3,-0.2 -3,-0.2 3,-0.2 0.527 72.9 -51.1 121.2 11.5 -3.1 67.9 34.0 117 147 A G S >>> S+ 0 0 29 0, 0.0 4,-1.6 0, 0.0 3,-0.9 0.844 127.1 61.0 -53.1 -39.9 -8.5 71.8 31.3 119 149 A E H 3> S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.1 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