==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-03 1PZP . COMPND 2 MOLECULE: BETA-LACTAMASE TEM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.HORN,B.K.SHOICHET . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 69.2 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 . 38 14.4 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 0 0 1 0 0 1 2 1 1 2 0 1 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 1 0 0 1 2 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 . 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 26 A H >> 0 0 79 0, 0.0 3,-1.6 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 139.8 2.9 1.6 9.4 2 27 A P H 3> + 0 0 83 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.786 360.0 67.8 -60.9 -22.8 6.5 1.5 8.1 3 28 A E H 3> S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.866 99.0 52.6 -64.2 -26.1 6.6 5.3 7.7 4 29 A T H <> S+ 0 0 0 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.900 104.2 55.0 -74.5 -33.3 6.5 5.4 11.5 5 30 A L H X S+ 0 0 40 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.860 102.9 58.2 -63.7 -34.6 9.5 2.9 11.6 6 31 A V H X S+ 0 0 79 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.938 107.3 46.1 -55.9 -46.6 11.3 5.5 9.4 7 32 A K H X S+ 0 0 61 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.874 109.4 55.1 -65.5 -37.4 10.8 8.1 12.1 8 33 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.942 111.5 43.3 -59.6 -43.6 12.0 5.6 14.7 9 34 A K H X S+ 0 0 103 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.876 110.6 56.2 -69.8 -35.5 15.2 5.0 12.8 10 35 A D H X S+ 0 0 49 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.919 106.4 51.9 -55.5 -44.0 15.5 8.8 12.3 11 36 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.905 106.9 51.4 -61.8 -45.1 15.3 9.1 16.0 12 37 A E H X>S+ 0 0 28 -4,-1.8 4,-1.3 1,-0.2 5,-1.2 0.929 112.7 46.9 -56.1 -46.2 18.1 6.6 16.5 13 38 A D H <5S+ 0 0 90 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.933 118.2 39.9 -56.9 -52.8 20.3 8.6 14.0 14 39 A Q H <5S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.776 121.2 41.1 -74.3 -29.2 19.6 12.0 15.6 15 40 A L H <5S- 0 0 16 -4,-2.5 227,-0.7 -5,-0.2 228,-0.5 0.602 98.1-133.1 -90.1 -18.5 19.7 10.9 19.2 16 41 A G T <5S+ 0 0 56 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.937 70.5 99.2 59.7 45.0 22.7 8.6 18.8 17 42 A A S -A 232 0A 45 5,-2.9 4,-2.4 -2,-0.4 207,-0.2 -0.547 23.3-145.9 -70.0 128.4 -3.9 -3.3 19.1 26 51 A L T 4 S+ 0 0 9 205,-2.1 -1,-0.2 -2,-0.3 206,-0.2 0.841 92.5 45.8 -68.7 -33.8 -5.7 -3.0 22.4 27 52 A N T 4 S+ 0 0 130 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.977 129.5 17.4 -74.8 -56.0 -8.5 -5.4 21.6 28 53 A S T 4 S- 0 0 74 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.616 89.6-127.6 -91.3 -18.0 -6.6 -8.3 20.0 29 54 A G < + 0 0 18 -4,-2.4 -3,-0.1 1,-0.3 137,-0.0 0.460 52.0 156.7 78.7 -0.9 -3.0 -7.8 21.2 30 55 A K - 0 0 136 -6,-0.1 -5,-2.9 1,-0.1 2,-0.7 -0.370 49.2-118.9 -57.9 135.0 -1.7 -8.0 17.6 31 56 A I E -B 24 0A 80 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.685 32.2-178.6 -73.5 115.7 1.6 -6.2 17.2 32 57 A L E - 0 0 61 -9,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.831 69.3 -3.0 -81.0 -35.6 0.9 -3.5 14.6 33 58 A E E -B 23 0A 34 -10,-1.5 -10,-2.4 -3,-0.1 -1,-0.4 -0.991 68.7-178.1-156.6 144.3 4.4 -2.2 14.5 34 59 A S E -B 22 0A 41 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.999 14.4-178.2-149.7 151.4 7.7 -3.0 16.3 35 60 A F E S-B 21 0A 46 -14,-2.4 -14,-2.6 -2,-0.3 -2,-0.0 -0.924 85.2 -12.6-148.9 120.8 11.3 -2.0 16.5 36 61 A R S > S+ 0 0 81 -2,-0.3 3,-1.5 -16,-0.2 123,-0.1 0.908 79.5 169.4 51.0 46.5 13.7 -3.8 18.9 37 62 A P T 3 S+ 0 0 39 0, 0.0 122,-2.6 0, 0.0 123,-0.5 0.766 71.1 38.0 -59.1 -31.9 10.7 -5.5 20.5 38 63 A E T 3 S+ 0 0 154 120,-0.2 2,-0.3 119,-0.1 -2,-0.1 0.067 91.1 105.3-116.2 23.3 12.7 -8.0 22.5 39 64 A E S < S- 0 0 66 -3,-1.5 2,-0.3 1,-0.0 120,-0.1 -0.727 72.3-109.6 -92.3 157.9 15.7 -5.9 23.5 40 65 A R + 0 0 49 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.663 36.2 171.7 -94.8 138.4 16.0 -4.6 27.1 41 66 A F E -E 156 0B 1 115,-2.4 115,-2.5 -2,-0.3 2,-0.1 -0.991 40.9 -96.8-138.3 146.8 15.6 -1.1 28.3 42 67 A P E -E 155 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.401 26.8-149.3 -57.9 136.3 15.4 0.4 31.8 43 68 A M > + 0 0 1 111,-2.4 3,-1.8 101,-0.1 112,-0.1 0.815 26.6 176.6 -75.8 -33.6 11.7 0.9 32.8 44 69 A M G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.4 4,-0.2 -0.234 70.2 -16.6 53.7-147.0 12.4 3.9 35.0 45 70 A S G > S+ 0 0 9 1,-0.3 3,-1.8 167,-0.2 4,-0.3 0.600 121.0 85.3 -69.9 -8.7 9.1 5.4 36.4 46 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.7 0.813 78.4 70.4 -58.3 -22.0 7.0 3.5 33.8 47 72 A F H <> S+ 0 0 1 -3,-2.1 4,-2.6 1,-0.2 3,-0.3 0.755 77.6 78.8 -63.1 -20.6 7.3 0.6 36.4 48 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.791 88.3 55.6 -65.2 -26.7 4.9 2.5 38.7 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.3 -1,-0.3 0.931 109.4 45.7 -64.5 -45.9 2.0 1.4 36.6 50 75 A L H X S+ 0 0 0 -4,-0.7 4,-2.4 -3,-0.3 -2,-0.2 0.905 110.7 55.2 -64.2 -39.8 2.9 -2.3 37.1 51 76 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.935 109.6 44.3 -57.0 -52.4 3.5 -1.6 40.8 52 77 A a H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.800 108.1 59.3 -68.1 -27.5 -0.1 -0.2 41.2 53 78 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 108.2 45.6 -58.4 -47.0 -1.4 -3.1 39.2 54 79 A A H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.882 111.7 52.0 -64.6 -36.6 0.1 -5.4 41.8 55 80 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.935 111.4 46.7 -60.6 -48.0 -1.3 -3.2 44.6 56 81 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.856 106.1 58.6 -67.3 -32.3 -4.8 -3.4 43.0 57 82 A S H X S+ 0 0 37 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.931 107.9 47.0 -60.4 -41.3 -4.5 -7.1 42.6 58 83 A R H <>S+ 0 0 69 -4,-1.9 5,-3.0 2,-0.2 6,-1.0 0.866 110.1 52.5 -67.3 -35.2 -4.0 -7.3 46.4 59 84 A V H ><5S+ 0 0 33 -4,-1.8 3,-1.8 4,-0.3 -2,-0.2 0.944 108.5 51.2 -64.0 -46.1 -7.0 -5.0 46.9 60 85 A D H 3<5S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.844 110.8 48.6 -57.7 -37.6 -9.1 -7.3 44.7 61 86 A A T 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.340 117.9-111.6 -87.5 5.9 -8.0 -10.4 46.8 62 87 A G T < 5S+ 0 0 48 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.676 89.4 115.5 73.1 16.8 -8.8 -8.6 50.1 63 88 A Q S - 0 0 100 -2,-0.3 3,-1.7 1,-0.1 29,-0.4 -0.996 13.9-141.3-126.5 132.5 -7.4 -1.6 51.2 66 91 A L T 3 S+ 0 0 24 -2,-0.4 29,-2.8 1,-0.3 30,-0.3 0.796 103.8 51.8 -59.3 -29.7 -7.2 1.5 49.1 67 92 A G T 3 S+ 0 0 46 27,-0.2 -1,-0.3 26,-0.2 2,-0.2 0.399 78.1 124.3 -91.2 1.5 -8.2 3.6 52.1 68 93 A R < - 0 0 98 -3,-1.7 26,-1.7 1,-0.1 2,-0.4 -0.469 60.7-129.1 -62.5 131.3 -5.5 2.2 54.4 69 94 A R E -F 93 0C 118 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.715 19.0-160.4 -91.0 128.6 -3.3 5.0 55.8 70 95 A I E -F 92 0C 18 22,-3.1 22,-2.2 -2,-0.4 2,-0.3 -0.928 4.6-160.2-109.4 128.2 0.5 4.7 55.5 71 96 A H + 0 0 127 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.790 16.7 162.6-106.0 155.8 2.8 6.7 57.7 72 97 A Y - 0 0 12 16,-0.4 2,-0.2 -2,-0.3 19,-0.1 -0.913 22.8-121.8-159.6-179.3 6.4 7.5 57.1 73 98 A S >> - 0 0 59 -2,-0.3 3,-2.1 1,-0.1 4,-0.6 -0.758 34.4 -92.9-134.9 170.9 9.3 9.8 58.2 74 99 A Q G >4 S+ 0 0 141 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.858 120.0 58.6 -56.6 -36.6 11.8 12.4 57.0 75 100 A R G 34 S+ 0 0 191 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.578 98.8 60.4 -74.0 -8.4 14.5 9.7 56.5 76 101 A D G <4 S+ 0 0 39 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.651 80.9 106.1 -87.7 -17.0 12.2 7.8 54.1 77 102 A L << - 0 0 37 -3,-1.3 2,-0.2 -4,-0.6 3,-0.1 -0.414 48.9-176.6 -68.4 127.1 12.0 10.7 51.7 78 103 A V - 0 0 41 -2,-0.2 30,-0.3 1,-0.2 29,-0.1 -0.686 42.0 -56.1-108.4 174.3 14.0 10.3 48.5 79 104 A E S S+ 0 0 133 -2,-0.2 28,-0.3 1,-0.2 -1,-0.2 -0.160 115.3 17.0 -45.6 136.9 14.7 12.6 45.6 80 105 A Y + 0 0 118 1,-0.1 27,-2.6 27,-0.1 28,-0.2 0.973 68.4 145.6 57.4 77.6 11.6 13.9 43.9 81 106 A S > + 0 0 1 25,-0.2 4,-2.0 26,-0.2 5,-0.2 -0.615 9.9 163.5-137.1 64.2 8.7 13.4 46.2 82 107 A P T 4 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.742 78.6 32.7 -63.2 -30.2 6.4 16.4 45.5 83 108 A V T >4 S+ 0 0 35 2,-0.1 3,-1.5 -3,-0.1 4,-0.2 0.859 118.4 49.1 -91.9 -46.9 3.3 14.9 47.1 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 7,-0.2 0.785 99.2 66.3 -69.4 -23.3 4.8 12.7 49.9 85 110 A E G 3< S+ 0 0 115 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.739 99.8 54.4 -72.5 -11.9 7.0 15.4 51.2 86 111 A K G < S+ 0 0 155 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.411 104.8 52.8 -94.6 2.5 3.8 17.3 52.2 87 112 A H <> + 0 0 43 -3,-1.6 4,-3.5 -4,-0.2 -15,-0.2 -0.068 60.1 114.2-133.0 27.1 2.2 14.5 54.3 88 113 A L T 4 S+ 0 0 48 -3,-0.4 -16,-0.4 2,-0.2 -1,-0.1 0.916 95.5 36.3 -58.0 -45.2 4.8 13.4 56.8 89 114 A T T 4 S+ 0 0 132 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.838 127.3 37.5 -68.0 -45.7 2.3 14.8 59.4 90 115 A D T 4 S- 0 0 101 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.797 92.8-151.5 -83.4 -29.6 -0.8 13.6 57.5 91 116 A G < - 0 0 0 -4,-3.5 2,-0.3 -7,-0.2 -20,-0.2 -0.206 18.9-109.6 69.9 174.9 0.4 10.2 56.1 92 117 A M E -F 70 0C 2 -22,-2.2 -22,-3.1 -4,-0.1 2,-0.1 -0.998 16.8-120.1-139.4 148.7 -1.2 9.1 52.9 93 118 A T E > -F 69 0C 17 -2,-0.3 4,-2.1 -24,-0.3 -24,-0.2 -0.367 34.4-106.2 -78.2 165.5 -3.7 6.3 51.9 94 119 A V H > S+ 0 0 0 -26,-1.7 4,-2.4 -29,-0.4 5,-0.2 0.922 123.1 51.5 -54.5 -45.7 -2.8 3.5 49.5 95 120 A R H > S+ 0 0 110 -29,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.930 109.8 48.5 -60.6 -43.0 -5.0 5.2 46.9 96 121 A E H > S+ 0 0 79 -30,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.852 110.3 52.9 -65.5 -35.8 -3.3 8.6 47.4 97 122 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.921 109.4 46.8 -68.2 -42.0 0.1 6.9 47.0 98 123 A a H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.911 112.3 51.8 -64.3 -41.5 -0.8 5.3 43.7 99 124 A S H X>S+ 0 0 43 -4,-2.7 4,-2.8 -5,-0.2 5,-0.6 0.953 113.1 44.3 -56.8 -44.8 -2.2 8.6 42.5 100 125 A A H X5S+ 0 0 2 -4,-2.4 6,-2.4 1,-0.2 4,-1.2 0.895 114.7 49.0 -68.9 -38.7 1.1 10.3 43.5 101 126 A A H X5S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.3 -1,-0.2 0.939 121.5 32.9 -65.7 -45.8 3.3 7.6 42.0 102 127 A I H <5S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.901 127.3 34.6 -81.6 -45.2 1.4 7.5 38.7 103 128 A T H <5S+ 0 0 7 -4,-2.8 87,-2.8 -5,-0.4 88,-0.4 0.780 134.6 22.7 -87.6 -23.9 0.3 11.1 38.2 104 129 A M H < - 0 0 0 -6,-2.4 4,-1.6 1,-0.2 -25,-0.2 -0.479 14.6-159.9 -68.4 121.0 6.5 10.6 43.2 107 132 A N H > S+ 0 0 9 -27,-2.6 4,-2.0 -2,-0.3 34,-0.3 0.860 87.3 50.7 -76.1 -37.8 9.5 8.4 44.1 108 133 A T H > S+ 0 0 1 -30,-0.3 4,-3.0 -28,-0.2 5,-0.3 0.921 107.5 54.9 -68.0 -39.6 8.8 8.0 47.9 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 107.8 50.4 -57.6 -42.3 5.2 7.0 47.1 110 135 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.914 110.8 47.9 -58.1 -44.4 6.6 4.3 44.9 111 136 A N H X S+ 0 0 22 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.924 111.2 50.9 -66.6 -38.8 9.0 3.1 47.6 112 137 A L H X S+ 0 0 23 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.942 112.9 46.3 -62.2 -46.6 6.2 3.1 50.2 113 138 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.898 107.2 57.3 -63.8 -37.6 4.0 1.1 47.9 114 139 A L H >X>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 4,-0.8 0.924 105.2 52.6 -58.6 -39.6 6.8 -1.4 47.0 115 140 A T H ><5S+ 0 0 92 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.931 103.3 57.2 -60.9 -44.4 7.1 -2.1 50.7 116 141 A T H 3<5S+ 0 0 25 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.795 111.8 41.4 -57.6 -31.1 3.3 -2.9 50.9 117 142 A I H <<5S- 0 0 15 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.483 127.1 -88.5 -98.0 -2.2 3.6 -5.6 48.2 118 143 A G T <<5 - 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