==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-09 2WYX . COMPND 2 MOLECULE: BETA-LACTAMSE TOHO-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.J.TOMANICEK,M.P.BLAKELEY,J.COOPER,Y.CHEN,P.AFONINE, . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 73.4 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 . 40 15.6 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 . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 4 1 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 . 1 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 29 A V > 0 0 67 0, 0.0 4,-1.3 0, 0.0 254,-0.1 0.000 360.0 360.0 360.0 -37.5 -61.6 8.8 -9.9 2 30 A Q H > + 0 0 90 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.893 360.0 53.8 -67.4 -39.2 -62.5 11.8 -12.0 3 31 A Q H > S+ 0 0 156 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.956 107.0 49.3 -58.1 -52.7 -65.2 12.6 -9.4 4 32 A Q H > S+ 0 0 110 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.784 111.4 50.6 -63.0 -28.1 -62.8 12.5 -6.5 5 33 A L H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -1,-0.3 0.862 108.8 51.5 -77.4 -33.0 -60.4 14.8 -8.3 6 34 A E H X S+ 0 0 119 -4,-1.9 4,-2.3 -3,-0.4 -2,-0.2 0.914 114.6 42.9 -65.9 -46.6 -63.3 17.3 -9.1 7 35 A A H X S+ 0 0 59 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.877 110.9 53.9 -65.0 -43.0 -64.2 17.4 -5.4 8 36 A L H X S+ 0 0 28 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.845 114.0 45.3 -65.3 -28.3 -60.6 17.6 -4.2 9 37 A E H X>S+ 0 0 17 -4,-1.4 4,-0.9 2,-0.2 5,-0.7 0.919 110.9 49.2 -79.0 -47.8 -60.3 20.6 -6.5 10 38 A K H ><5S+ 0 0 175 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.961 116.0 43.6 -60.7 -47.4 -63.5 22.4 -5.6 11 39 A S H 3<5S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.814 107.5 61.3 -66.7 -27.9 -62.8 22.1 -1.9 12 40 A S H 3<5S- 0 0 12 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.654 99.6-134.1 -76.2 -16.3 -59.2 23.1 -2.3 13 41 A G T <<5S+ 0 0 48 -3,-1.2 -3,-0.1 -4,-0.9 2,-0.1 0.435 73.8 81.4 76.2 0.6 -60.1 26.5 -3.8 14 42 A G S >> -AB 228 27A 46 5,-2.0 4,-1.5 -2,-0.5 3,-1.4 -0.882 2.5-161.2-109.1 102.2 -49.6 3.5 -16.4 23 51 A T T 345S+ 0 0 33 204,-2.0 -1,-0.1 -2,-0.7 205,-0.1 0.625 79.3 79.7 -67.5 -14.7 -46.7 2.1 -18.5 24 52 A A T 345S- 0 0 66 203,-0.4 -1,-0.3 1,-0.2 204,-0.1 0.941 126.4 -6.5 -47.9 -55.0 -48.2 -1.5 -18.1 25 53 A D T <45S- 0 0 107 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.168 95.2-112.4-129.7 17.2 -50.7 -0.7 -20.9 26 54 A N T <5 + 0 0 85 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.726 61.6 158.7 55.1 23.3 -50.2 3.1 -21.5 27 55 A S E < -B 22 0A 49 -5,-0.9 -5,-2.0 -6,-0.0 2,-0.4 -0.547 28.6-142.0 -76.0 141.2 -53.6 3.8 -20.1 28 56 A Q E -B 21 0A 84 -2,-0.2 2,-0.6 -7,-0.2 -7,-0.2 -0.853 19.6-162.0-110.7 141.5 -54.1 7.4 -18.9 29 57 A I E -B 20 0A 41 -9,-2.1 -9,-2.1 -2,-0.4 2,-0.4 -0.953 31.2-175.1-109.8 110.1 -55.9 9.0 -16.0 30 59 A L E +B 19 0A 55 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.828 22.6 171.5-114.8 142.4 -56.3 12.7 -17.0 31 60 A Y E S-B 18 0A 23 -13,-2.1 -13,-2.3 -2,-0.4 4,-0.1 -0.853 85.4 -29.1-145.1 112.8 -57.7 15.8 -15.3 32 61 A R S > S+ 0 0 102 -2,-0.3 3,-1.5 -15,-0.2 123,-0.1 0.860 89.9 151.9 48.3 34.3 -57.3 19.1 -16.9 33 62 A A T 3 + 0 0 6 1,-0.3 122,-2.3 121,-0.1 123,-0.5 0.599 65.2 52.9 -75.4 -9.6 -54.2 17.4 -18.4 34 63 A D T 3 S+ 0 0 128 119,-0.2 2,-0.3 120,-0.1 -1,-0.3 0.246 88.4 98.6-106.5 6.7 -54.4 19.6 -21.4 35 64 A E S < S- 0 0 59 -3,-1.5 2,-0.2 -4,-0.1 120,-0.1 -0.710 77.2-112.5 -88.2 150.4 -54.4 22.9 -19.6 36 65 A R + 0 0 102 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.579 35.3 176.6 -86.2 144.6 -51.3 25.0 -19.1 37 66 A F E -E 152 0B 4 115,-1.7 115,-1.5 -2,-0.2 2,-0.2 -0.962 39.1 -99.8-140.7 152.0 -49.7 25.5 -15.7 38 67 A A E -E 151 0B 14 -2,-0.3 113,-0.2 113,-0.2 112,-0.1 -0.579 29.7-148.4 -71.3 139.9 -46.5 27.3 -14.7 39 68 A M > - 0 0 0 111,-2.6 3,-1.5 -2,-0.2 -1,-0.1 0.803 22.2-178.1 -85.7 -29.0 -43.9 24.7 -14.2 40 69 A C G > S- 0 0 0 100,-0.6 3,-2.1 110,-0.5 -1,-0.2 -0.289 70.3 -17.0 54.1-148.8 -41.9 26.3 -11.5 41 70 A S G > S+ 0 0 7 167,-0.5 3,-1.2 1,-0.3 4,-0.3 0.426 121.7 81.9 -70.9 -0.7 -38.9 24.2 -10.5 42 71 A T G X S+ 0 0 0 -3,-1.5 3,-1.2 1,-0.2 4,-0.4 0.800 80.2 73.1 -67.4 -26.8 -40.2 21.1 -12.1 43 72 A S G X> S+ 0 0 0 -3,-2.1 4,-1.1 1,-0.2 3,-1.0 0.744 77.7 76.2 -51.0 -26.3 -38.7 22.8 -15.1 44 73 A K H <> S+ 0 0 1 -3,-1.2 4,-2.2 1,-0.3 5,-0.3 0.875 79.4 68.4 -62.2 -39.8 -35.3 21.9 -13.7 45 74 A V H <> S+ 0 0 0 -3,-1.2 4,-2.0 -4,-0.3 -1,-0.3 0.887 100.2 51.7 -37.3 -46.6 -35.7 18.3 -14.9 46 75 A M H <> S+ 0 0 0 -3,-1.0 4,-2.4 -4,-0.4 -1,-0.2 0.947 107.5 49.1 -62.9 -52.9 -35.5 19.7 -18.5 47 76 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.923 112.2 47.9 -51.0 -52.0 -32.3 21.6 -17.9 48 77 A A H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.893 112.4 49.5 -57.6 -42.4 -30.4 18.7 -16.3 49 78 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.920 105.9 56.8 -63.2 -41.4 -31.5 16.3 -19.1 50 79 A A H X S+ 0 0 4 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.869 109.1 46.3 -60.5 -42.9 -30.4 18.8 -21.8 51 80 A V H X S+ 0 0 4 -4,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.842 110.5 52.9 -61.9 -35.3 -26.9 18.7 -20.2 52 81 A L H < S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.834 105.4 55.8 -71.6 -29.8 -27.1 14.9 -20.0 53 82 A K H >X S+ 0 0 68 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.935 105.4 51.0 -64.6 -45.8 -27.9 14.9 -23.7 54 83 A Q H >X S+ 0 0 67 -4,-1.6 3,-1.4 1,-0.3 4,-1.1 0.881 102.6 60.8 -59.1 -37.4 -24.8 16.9 -24.5 55 84 A S H 3< S+ 0 0 10 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.652 88.4 73.1 -68.3 -12.6 -22.7 14.4 -22.5 56 85 A E H <4 S+ 0 0 67 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.855 112.3 26.3 -71.2 -30.0 -23.7 11.6 -24.8 57 86 A S H << S+ 0 0 113 -3,-1.4 2,-0.5 -4,-0.5 -1,-0.2 0.553 122.8 57.8-106.7 -10.7 -21.5 13.0 -27.5 58 87 A D >< - 0 0 63 -4,-1.1 3,-1.0 1,-0.1 4,-0.4 -0.911 56.2-176.5-131.7 102.7 -19.0 14.7 -25.2 59 88 A K T 3 S+ 0 0 95 -2,-0.5 4,-0.2 1,-0.2 3,-0.2 0.699 84.6 52.7 -79.1 -19.7 -17.3 12.6 -22.6 60 89 A H T 3> S+ 0 0 163 1,-0.1 4,-1.0 2,-0.1 3,-0.4 0.509 89.9 91.4 -84.2 -3.4 -15.3 15.4 -20.8 61 90 A L T X4 S+ 0 0 6 -3,-1.0 3,-0.8 1,-0.2 29,-0.4 0.917 77.7 48.1 -67.3 -52.1 -18.6 17.3 -20.4 62 91 A L T 34 S+ 0 0 37 -4,-0.4 29,-2.0 1,-0.2 30,-0.3 0.748 112.9 51.2 -61.7 -23.7 -20.0 16.2 -16.9 63 92 A N T 34 S+ 0 0 118 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.711 78.2 126.6 -89.1 -18.6 -16.6 16.7 -15.3 64 93 A Q << - 0 0 91 -4,-1.0 26,-1.4 -3,-0.8 2,-0.2 -0.047 60.2-130.2 -38.6 127.7 -16.2 20.3 -16.6 65 94 A R E -G 89 0C 189 24,-0.2 2,-0.3 25,-0.1 24,-0.2 -0.616 23.4-168.7 -83.1 151.5 -15.5 22.5 -13.8 66 95 A V E -G 88 0C 27 22,-1.2 22,-2.5 -2,-0.2 2,-0.3 -0.984 20.9-121.7-139.1 137.0 -17.6 25.7 -13.4 67 96 A E E -G 87 0C 127 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.619 14.3-151.1 -88.8 140.7 -16.8 28.5 -11.0 68 97 A I - 0 0 2 18,-2.1 17,-2.2 15,-0.4 2,-0.2 -0.962 18.4-172.1-110.6 117.3 -19.2 29.6 -8.4 69 98 A K >> - 0 0 111 -2,-0.6 3,-1.8 15,-0.2 4,-0.6 -0.644 37.2-115.8-103.9 162.9 -18.9 33.3 -7.5 70 99 A K T 34 S+ 0 0 144 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.669 118.4 62.5 -71.8 -15.0 -20.6 35.2 -4.7 71 100 A S T 34 S+ 0 0 102 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.469 95.1 63.2 -82.9 -1.2 -22.2 37.2 -7.5 72 101 A D T <4 S+ 0 0 42 -3,-1.8 -2,-0.2 8,-0.1 -1,-0.2 0.709 77.0 102.4 -97.9 -26.3 -23.8 34.0 -8.7 73 102 A L < + 0 0 50 -4,-0.6 2,-0.1 -3,-0.2 4,-0.0 -0.340 44.9 177.2 -63.6 136.2 -26.0 33.3 -5.7 74 103 A V - 0 0 55 -2,-0.1 3,-0.2 2,-0.0 -1,-0.1 0.020 51.8 -57.2-109.9-135.5 -29.7 34.0 -5.9 75 104 A N S S+ 0 0 107 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.702 121.5 30.9 -91.3 -19.0 -32.5 33.5 -3.4 76 105 A Y + 0 0 105 1,-0.0 27,-2.7 25,-0.0 28,-0.5 -0.806 63.4 142.1-144.9 94.3 -32.3 29.7 -2.8 77 106 A N > + 0 0 20 -2,-0.3 4,-1.7 25,-0.2 5,-0.2 -0.510 6.1 160.9-139.5 69.6 -28.9 28.0 -3.1 78 107 A P T 4 S+ 0 0 28 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.846 85.4 23.5 -59.3 -41.2 -28.6 25.3 -0.4 79 108 A I T >4 S+ 0 0 24 17,-0.1 3,-1.2 2,-0.1 4,-0.3 0.875 118.8 56.0 -92.4 -50.7 -25.7 23.5 -2.2 80 109 A A G >4 S+ 0 0 1 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.788 99.3 62.7 -55.6 -31.4 -24.1 26.2 -4.5 81 110 A E G >< S+ 0 0 108 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.840 96.3 59.7 -62.7 -32.6 -23.5 28.5 -1.4 82 111 A K G < S+ 0 0 152 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.531 105.6 49.7 -70.2 -9.2 -21.2 25.8 0.1 83 112 A H G X S+ 0 0 66 -3,-1.3 3,-1.1 -4,-0.3 -15,-0.4 0.098 75.2 142.6-119.5 22.8 -18.9 26.1 -3.0 84 113 A V T < S+ 0 0 39 -3,-1.2 -15,-0.2 1,-0.2 3,-0.1 -0.384 76.8 14.0 -58.9 139.0 -18.5 29.9 -3.3 85 114 A N T 3 S+ 0 0 139 -17,-2.2 -1,-0.2 1,-0.3 -16,-0.1 0.207 125.9 70.8 78.3 -16.0 -15.0 30.8 -4.4 86 115 A G S < S- 0 0 32 -3,-1.1 -18,-2.1 -18,-0.2 -1,-0.3 -0.104 85.4-102.1-104.1-150.0 -14.5 27.2 -5.4 87 116 A T E -G 67 0C 53 -20,-0.2 2,-0.3 -3,-0.1 -20,-0.2 -0.898 15.7-156.2-137.2 160.2 -16.0 25.2 -8.2 88 117 A M E -G 66 0C 4 -22,-2.5 -22,-1.2 -2,-0.3 2,-0.2 -0.990 23.4-125.4-133.0 146.1 -18.7 22.6 -9.1 89 118 A T E > -G 65 0C 20 -2,-0.3 4,-2.5 -24,-0.2 3,-0.4 -0.513 29.2-110.1 -83.1 158.1 -18.8 20.2 -12.0 90 119 A L H > S+ 0 0 2 -26,-1.4 4,-1.8 -29,-0.4 5,-0.3 0.951 121.0 56.6 -47.8 -51.9 -21.8 20.2 -14.3 91 120 A A H > S+ 0 0 22 -29,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.862 108.8 48.0 -49.8 -39.1 -22.7 16.7 -12.9 92 121 A E H > S+ 0 0 88 -3,-0.4 4,-1.8 -30,-0.3 -1,-0.2 0.909 109.3 50.7 -70.6 -44.0 -22.8 18.3 -9.5 93 122 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.758 110.8 50.4 -61.1 -25.7 -24.9 21.3 -10.5 94 123 A G H X S+ 0 0 1 -4,-1.8 4,-1.1 -5,-0.2 5,-0.2 0.896 109.1 49.8 -83.6 -41.5 -27.4 18.9 -12.1 95 124 A A H X S+ 0 0 18 -4,-1.8 4,-2.2 -5,-0.3 5,-0.3 0.836 116.2 43.7 -53.0 -39.5 -27.6 16.8 -9.0 96 125 A A H X S+ 0 0 3 -4,-1.8 6,-2.4 2,-0.2 4,-1.1 0.764 108.5 56.4 -87.2 -25.4 -28.2 19.9 -6.9 97 126 A A H < S+ 0 0 0 -4,-1.4 -1,-0.2 4,-0.3 -2,-0.2 0.704 122.1 29.3 -72.5 -21.8 -30.7 21.5 -9.3 98 127 A L H < S+ 0 0 0 -4,-1.1 108,-0.2 3,-0.1 -2,-0.2 0.727 124.9 41.0-110.0 -34.5 -32.8 18.3 -9.0 99 128 A Q H < S+ 0 0 43 -4,-2.2 87,-1.8 -5,-0.2 88,-0.4 0.739 134.2 18.9 -90.7 -28.1 -32.1 17.0 -5.5 100 129 A Y S < S- 0 0 83 -4,-1.1 -3,-0.2 -5,-0.3 3,-0.1 0.392 97.5-124.2-121.7 1.8 -32.0 20.2 -3.6 101 130 A S - 0 0 13 -6,-0.2 2,-0.3 1,-0.2 -4,-0.3 0.918 41.4-171.0 42.6 52.3 -33.9 22.4 -6.2 102 131 A D > - 0 0 0 -6,-2.4 4,-2.2 1,-0.1 -25,-0.2 -0.574 18.1-160.9 -75.7 125.9 -30.8 24.7 -6.1 103 132 A N H > S+ 0 0 5 -27,-2.7 4,-2.2 -2,-0.3 34,-0.3 0.856 91.9 54.2 -82.9 -37.3 -31.5 28.0 -8.1 104 133 A T H > S+ 0 0 1 -28,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.933 110.6 49.4 -52.7 -48.2 -27.9 28.9 -8.5 105 134 A A H >> S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 3,-0.9 0.929 107.8 52.1 -58.9 -52.6 -27.4 25.4 -10.0 106 135 A M H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.4 0.935 109.7 51.5 -47.1 -49.1 -30.4 25.7 -12.4 107 136 A N H 3X S+ 0 0 32 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.657 106.1 52.3 -69.5 -17.6 -28.9 29.0 -13.6 108 137 A K H X>S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 5,-1.2 0.990 113.5 48.6 -58.8 -60.4 -29.1 27.2 -18.5 111 140 A A H 3<5S+ 0 0 65 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.7 53.0 -49.1 -37.4 -26.3 29.6 -18.9 112 141 A H H 3<5S+ 0 0 61 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.887 111.7 46.9 -68.0 -34.1 -24.0 26.7 -20.0 113 142 A L H <<5S- 0 0 25 -4,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.773 119.5-115.8 -75.5 -27.0 -26.6 25.9 -22.5 114 143 A G T <5S- 0 0 44 -4,-2.1 -3,-0.2 -5,-0.1 3,-0.1 0.626 70.9 -13.8 100.8 14.2 -26.9 29.5 -23.6 115 144 A G S >>> S+ 0 0 22 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.855 123.4 62.2 -52.0 -35.1 -33.9 29.3 -21.6 117 146 A D H 3> S+ 0 0 86 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.719 94.7 60.1 -65.0 -25.0 -34.7 29.0 -25.3 118 147 A K H <> S+ 0 0 99 -3,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.836 104.3 50.5 -72.4 -28.8 -32.0 26.4 -25.7 119 148 A V H S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 4,-0.6 0.904 108.8 54.3 -59.9 -39.1 -37.8 19.7 -25.4 124 153 A R H ><5S+ 0 0 81 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 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