==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-OCT-97 1AXB . COMPND 2 MOLECULE: TEM-1 BETA LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.MAVEYRAUD,R.F.PRATT,J.P.SAMAMA . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 70.3 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 1 0 0 0 0 2 1 1 1 2 0 0 1 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 95 0, 0.0 3,-1.6 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 141.1 2.7 1.5 9.2 2 27 A P H 3> + 0 0 77 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.723 360.0 69.5 -59.1 -23.3 6.3 1.3 7.9 3 28 A E H 3> S+ 0 0 99 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.835 95.6 53.9 -64.9 -31.0 6.4 5.1 7.6 4 29 A T H <> S+ 0 0 1 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.866 103.4 56.0 -71.0 -33.2 6.4 5.2 11.4 5 30 A L H X S+ 0 0 43 -4,-0.8 4,-2.8 2,-0.2 5,-0.3 0.889 101.9 57.3 -64.7 -36.2 9.4 2.8 11.5 6 31 A V H X S+ 0 0 89 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.931 108.2 46.9 -59.0 -43.4 11.2 5.4 9.2 7 32 A K H X S+ 0 0 20 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.895 109.9 52.6 -66.9 -39.6 10.6 8.0 11.9 8 33 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.948 112.2 45.2 -62.2 -45.6 11.8 5.6 14.7 9 34 A K H X S+ 0 0 104 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.879 111.3 53.8 -64.6 -37.0 15.1 4.9 12.8 10 35 A D H X S+ 0 0 60 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.879 105.3 54.2 -64.5 -36.6 15.4 8.7 12.2 11 36 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.901 104.3 55.3 -64.5 -38.8 15.1 9.2 15.9 12 37 A E H X>S+ 0 0 24 -4,-1.8 4,-1.6 1,-0.2 5,-1.1 0.890 108.6 47.4 -60.5 -40.7 17.9 6.8 16.4 13 38 A D H <5S+ 0 0 84 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.924 115.6 45.3 -66.6 -44.1 20.2 8.9 14.1 14 39 A Q H <5S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 121.8 35.5 -64.4 -50.2 19.2 12.1 15.8 15 40 A L H <5S- 0 0 11 -4,-3.1 227,-0.6 2,-0.2 228,-0.4 0.655 98.1-136.5 -79.5 -18.0 19.5 10.9 19.4 16 41 A G T <5S+ 0 0 57 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.958 71.0 90.0 59.0 49.4 22.5 8.7 18.5 17 42 A A S -A 232 0A 39 5,-3.0 4,-2.0 -2,-0.4 207,-0.2 -0.694 21.0-152.7 -80.1 117.8 -3.9 -3.7 19.0 26 51 A L T 4 S+ 0 0 14 205,-1.9 -1,-0.2 -2,-0.7 206,-0.2 0.852 87.8 46.2 -58.8 -40.5 -5.7 -3.4 22.4 27 52 A N T 4 S+ 0 0 139 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.959 127.6 19.0 -70.6 -55.7 -8.6 -5.7 21.4 28 53 A S T 4 S- 0 0 54 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.768 94.2-124.9 -89.4 -28.8 -6.9 -8.7 19.7 29 54 A G < + 0 0 25 -4,-2.0 2,-0.1 1,-0.3 -3,-0.1 0.531 54.3 154.6 94.0 7.4 -3.4 -8.4 21.0 30 55 A K - 0 0 144 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.6 -0.452 48.4-122.1 -70.9 140.0 -1.9 -8.3 17.6 31 56 A I E -B 24 0A 74 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.748 29.1-177.4 -81.8 119.3 1.5 -6.6 17.2 32 57 A L E - 0 0 67 -9,-2.8 2,-0.3 -2,-0.6 -8,-0.2 0.823 66.4 -6.8 -87.5 -34.2 0.9 -3.9 14.5 33 58 A E E -B 23 0A 42 -10,-1.4 -10,-2.5 -29,-0.0 -1,-0.4 -0.979 65.4-178.0-159.9 148.1 4.5 -2.6 14.3 34 59 A S E -B 22 0A 46 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.997 13.7-175.0-153.7 150.7 7.7 -3.2 16.2 35 60 A F E S-B 21 0A 48 -14,-2.7 -14,-3.1 -2,-0.3 -2,-0.0 -0.936 86.0 -12.0-148.5 118.3 11.4 -2.0 16.3 36 61 A R S > S+ 0 0 78 -2,-0.3 3,-1.3 -16,-0.2 123,-0.1 0.890 80.3 166.9 53.2 47.5 13.8 -3.7 18.7 37 62 A P T 3 + 0 0 32 0, 0.0 122,-2.2 0, 0.0 123,-0.4 0.760 69.6 40.4 -63.2 -26.8 10.9 -5.4 20.4 38 63 A E T 3 S+ 0 0 141 120,-0.2 2,-0.3 119,-0.1 -2,-0.1 0.072 89.2 103.0-114.2 23.9 13.0 -7.9 22.3 39 64 A E S < S- 0 0 69 -3,-1.3 2,-0.3 1,-0.0 117,-0.1 -0.715 74.7-109.0 -99.2 155.1 15.9 -5.8 23.4 40 65 A R + 0 0 57 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.682 36.1 175.2 -91.7 142.2 16.1 -4.6 27.0 41 66 A F E -E 156 0B 1 115,-2.4 115,-2.1 -2,-0.3 2,-0.2 -0.976 39.2 -99.8-139.3 145.5 15.5 -1.0 28.2 42 67 A P E -E 155 0B 12 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.540 26.2-147.5 -69.7 134.0 15.4 0.5 31.7 43 68 A M > + 0 0 2 111,-2.1 3,-1.7 -2,-0.2 112,-0.1 0.839 26.5 175.8 -68.8 -38.5 11.8 1.0 32.7 44 69 A M G > S- 0 0 1 110,-0.5 3,-1.5 100,-0.4 4,-0.2 -0.312 71.4 -13.8 61.4-144.1 12.3 4.1 34.9 45 70 A S G > S+ 0 0 9 1,-0.3 3,-1.8 167,-0.2 4,-0.3 0.623 119.8 84.8 -65.5 -11.7 9.0 5.4 36.2 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.2 1,-0.3 4,-0.6 0.772 77.8 69.9 -62.2 -21.5 6.9 3.4 33.8 47 72 A F H X> S+ 0 0 1 -3,-1.5 4,-2.6 1,-0.2 3,-0.5 0.776 79.3 78.4 -65.6 -25.0 7.2 0.5 36.3 48 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.3 -1,-0.2 0.766 88.5 55.5 -56.8 -27.3 4.9 2.5 38.6 49 74 A V H <> S+ 0 0 0 -3,-1.2 4,-1.3 -4,-0.3 -1,-0.3 0.904 109.5 46.4 -71.7 -39.0 1.9 1.4 36.6 50 75 A L H S+ 0 0 65 -4,-1.7 5,-2.3 1,-0.2 6,-1.0 0.824 109.5 54.7 -66.2 -32.2 -4.1 -7.3 46.5 59 84 A I H ><5S+ 0 0 31 -4,-1.5 3,-1.2 4,-0.2 -1,-0.2 0.906 107.0 50.4 -68.3 -39.3 -7.1 -4.9 46.9 60 85 A D H 3<5S+ 0 0 59 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.840 110.2 50.1 -65.3 -35.6 -9.2 -7.3 44.8 61 86 A A T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.369 116.1-116.7 -83.7 3.6 -8.0 -10.2 47.0 62 87 A G T < 5S+ 0 0 55 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.583 87.2 114.7 72.6 11.3 -9.0 -8.3 50.2 63 88 A Q S - 0 0 102 -2,-0.3 3,-0.7 1,-0.1 29,-0.3 -0.979 18.5-135.4-130.2 147.0 -7.7 -1.4 51.0 66 91 A L T 3 S+ 0 0 35 -2,-0.3 29,-2.9 1,-0.2 30,-0.3 0.834 105.8 52.4 -68.2 -33.3 -7.6 1.8 49.0 67 92 A G T 3 S+ 0 0 47 27,-0.2 -1,-0.2 26,-0.2 2,-0.1 0.534 76.6 121.3 -82.6 -7.1 -8.4 3.8 52.1 68 93 A R < - 0 0 95 -3,-0.7 26,-1.9 25,-0.1 2,-0.4 -0.356 59.3-133.7 -61.1 131.4 -5.7 2.5 54.4 69 94 A R E -F 93 0C 114 24,-0.2 2,-0.5 25,-0.1 24,-0.3 -0.740 15.5-159.7 -91.7 136.3 -3.5 5.3 55.6 70 95 A I E -F 92 0C 21 22,-3.1 22,-2.2 -2,-0.4 2,-0.3 -0.958 4.1-159.1-118.9 124.6 0.3 5.0 55.6 71 96 A H + 0 0 129 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.802 17.6 165.0-102.0 146.8 2.5 7.2 57.8 72 97 A Y - 0 0 23 16,-0.4 2,-0.2 -2,-0.3 19,-0.0 -0.846 25.0-126.9-146.6 179.2 6.1 7.8 57.1 73 98 A S > - 0 0 55 -2,-0.3 3,-1.9 18,-0.0 4,-0.4 -0.761 38.8 -93.4-127.0 176.3 8.9 10.2 58.2 74 99 A Q T 3 S+ 0 0 148 1,-0.3 3,-0.3 -2,-0.2 11,-0.0 0.602 117.9 74.2 -70.7 -4.4 11.3 12.5 56.4 75 100 A N T 3 S+ 0 0 151 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.726 95.5 51.6 -74.8 -21.7 13.8 9.6 56.5 76 101 A D S < S+ 0 0 68 -3,-1.9 2,-0.3 2,-0.1 -1,-0.2 0.597 84.7 108.6 -88.2 -15.5 11.7 8.0 53.8 77 102 A L + 0 0 46 -4,-0.4 2,-0.2 -3,-0.3 3,-0.1 -0.505 46.5 178.8 -70.8 123.9 11.7 11.0 51.5 78 103 A V - 0 0 38 -2,-0.3 30,-0.3 1,-0.1 29,-0.1 -0.618 42.3 -53.4-115.1 177.8 13.8 10.5 48.4 79 104 A E S S+ 0 0 136 -2,-0.2 28,-0.2 1,-0.2 -1,-0.1 -0.249 115.9 15.2 -56.2 133.9 14.6 12.7 45.4 80 105 A Y S S+ 0 0 105 1,-0.1 27,-2.6 27,-0.1 28,-0.3 0.999 70.3 144.3 62.3 83.1 11.5 14.1 43.6 81 106 A S > + 0 0 1 25,-0.2 4,-1.9 26,-0.2 5,-0.2 -0.517 9.9 164.6-146.9 71.0 8.5 13.6 45.8 82 107 A P H > S+ 0 0 41 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.825 79.4 36.5 -58.2 -41.7 6.1 16.6 45.3 83 108 A V H >> S+ 0 0 33 2,-0.1 4,-1.1 1,-0.1 3,-0.5 0.925 116.1 49.6 -82.1 -46.9 3.1 15.0 46.9 84 109 A T H 34 S+ 0 0 0 1,-0.2 3,-0.3 2,-0.2 7,-0.2 0.833 103.5 59.9 -64.2 -33.1 4.6 13.1 49.8 85 110 A E H >< S+ 0 0 116 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.883 109.5 45.6 -60.5 -37.1 6.7 16.0 51.0 86 111 A K H << S+ 0 0 179 -3,-0.5 3,-0.3 -4,-0.5 -1,-0.2 0.685 112.2 48.6 -79.0 -23.8 3.5 17.9 51.6 87 112 A H T 3X S+ 0 0 60 -4,-1.1 4,-3.1 -3,-0.3 -1,-0.2 0.097 72.9 116.4-104.9 22.6 1.6 15.1 53.3 88 113 A L T <4 S+ 0 0 49 -3,-0.6 -16,-0.4 1,-0.2 -1,-0.2 0.876 81.0 42.3 -57.2 -40.4 4.3 14.2 55.7 89 114 A T T 4 S+ 0 0 129 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.924 122.7 36.2 -74.6 -46.0 2.1 15.2 58.7 90 115 A D T 4 S- 0 0 103 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.759 96.8-145.4 -79.2 -26.6 -1.2 13.7 57.5 91 116 A G < - 0 0 0 -4,-3.1 2,-0.3 -7,-0.2 -20,-0.2 -0.328 21.5 -98.8 81.4-176.0 0.3 10.6 55.9 92 117 A M E -F 70 0C 2 -22,-2.2 -22,-3.1 -2,-0.1 2,-0.1 -0.997 19.7-119.6-146.0 147.5 -1.4 9.2 52.7 93 118 A T E > -F 69 0C 15 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.427 35.6-108.0 -79.5 161.4 -3.9 6.5 51.9 94 119 A V H > S+ 0 0 1 -26,-1.9 4,-2.4 -29,-0.3 5,-0.2 0.910 122.9 53.5 -54.8 -41.3 -3.0 3.7 49.4 95 120 A R H > S+ 0 0 116 -29,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.925 109.3 46.9 -60.0 -47.0 -5.3 5.4 46.9 96 121 A E H > S+ 0 0 71 -30,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.830 110.1 54.3 -65.3 -33.6 -3.5 8.7 47.3 97 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.941 109.0 46.3 -67.3 -47.2 -0.1 7.1 47.0 98 123 A a H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.923 112.6 50.5 -61.7 -42.3 -0.9 5.4 43.7 99 124 A S H X>S+ 0 0 42 -4,-2.1 4,-2.4 -5,-0.2 5,-0.6 0.938 113.5 46.6 -60.3 -42.9 -2.4 8.6 42.3 100 125 A A H X5S+ 0 0 4 -4,-2.2 6,-2.1 1,-0.2 4,-1.1 0.891 113.0 48.8 -64.7 -42.3 0.8 10.4 43.4 101 126 A A H <5S+ 0 0 0 -4,-2.8 4,-0.2 4,-0.3 -2,-0.2 0.884 122.7 31.7 -66.5 -40.6 3.0 7.7 41.9 102 127 A I H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.954 125.2 37.6 -85.6 -52.9 1.3 7.6 38.5 103 128 A T H <5S+ 0 0 12 -4,-2.4 87,-2.3 -5,-0.3 88,-0.6 0.858 136.0 19.8 -70.5 -34.6 -0.0 11.1 38.0 104 129 A M S < - 0 0 0 -6,-2.1 4,-1.4 1,-0.2 -25,-0.2 -0.439 12.8-158.4 -62.9 115.6 6.3 10.7 43.1 107 132 A N H > S+ 0 0 14 -27,-2.6 4,-2.0 -2,-0.4 34,-0.2 0.901 88.5 50.2 -66.2 -43.9 9.4 8.7 43.9 108 133 A T H > S+ 0 0 0 -28,-0.3 4,-2.8 -30,-0.3 -1,-0.2 0.892 107.1 56.2 -63.0 -36.8 8.7 8.3 47.7 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 106.2 51.5 -61.1 -38.6 5.2 7.1 46.9 110 135 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.947 110.9 47.3 -62.4 -49.0 6.6 4.4 44.7 111 136 A N H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.910 111.0 50.8 -60.2 -44.2 9.0 3.2 47.5 112 137 A L H X S+ 0 0 18 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.943 113.0 45.6 -60.3 -46.1 6.2 3.2 50.1 113 138 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.860 107.3 59.1 -65.4 -36.2 3.9 1.1 47.9 114 139 A L H >X>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 4,-0.8 0.908 103.1 52.9 -59.8 -41.4 6.8 -1.2 47.1 115 140 A T H ><5S+ 0 0 94 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.917 103.6 57.0 -61.8 -41.3 7.2 -2.0 50.8 116 141 A T H 3<5S+ 0 0 29 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.762 110.5 42.4 -64.0 -27.6 3.5 -2.9 51.1 117 142 A I H <<5S- 0 0 17 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.504 127.0 -89.3 -97.9 -4.1 3.6 -5.6 48.4 118 143 A G T <<5 - 0 0 49 -3,-1.0 4,-0.4 -4,-0.8 3,-0.3 0.579 65.1 -92.8 109.6 10.9 6.9 -7.2 49.4 119 144 A G >>< - 0 0 3 -5,-3.1 4,-1.7 -6,-0.2 3,-1.0 -0.131 69.6 -35.7 79.9-176.0 9.4 -5.2 47.3 120 145 A P H 3> S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 17,-0.5 0.822 131.9 58.8 -50.3 -41.7 11.0 -5.6 43.9 121 146 A K H 3> S+ 0 0 178 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.853 108.1 45.7 -62.1 -35.3 11.2 -9.4 44.2 122 147 A E H <> S+ 0 0 103 -3,-1.0 4,-2.5 -4,-0.4 -1,-0.2 0.872 110.3 52.0 -76.9 -36.1 7.4 -9.6 44.7 123 148 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.936 111.0 49.6 -64.2 -41.8 6.6 -7.3 41.8 124 149 A T H X S+ 0 0 40 -4,-2.5 4,-2.3 13,-0.3 -1,-0.2 0.900 111.4 47.7 -63.3 -41.2 8.8 -9.4 39.6 125 150 A A H X S+ 0 0 43 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.890 109.1 55.4 -67.2 -37.1 7.0 -12.6 40.8 126 151 A F H X S+ 0 0 38 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.915 110.5 44.8 -59.4 -46.1 3.7 -10.9 40.2 127 152 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.5 2,-0.2 3,-0.6 0.886 111.0 53.1 -66.0 -42.1 4.6 -10.2 36.6 128 153 A H H ><5S+ 0 0 95 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.914 105.7 54.6 -60.9 -43.4 6.0 -13.7 36.0 129 154 A N H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.733 105.4 52.7 -63.9 -25.2 2.8 -15.2 37.2 130 155 A M T <<5S- 0 0 23 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.383 131.5 -88.1 -92.6 4.1 0.8 -13.2 34.7 131 156 A G T < 5S+ 0 0 40 -3,-1.6 2,-1.0 -4,-0.2 -3,-0.2 0.350 91.0 122.1 110.0 -6.3 2.9 -14.4 31.8 132 157 A D < + 0 0 9 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.2 -0.777 23.3 164.7 -94.3 100.3 5.7 -11.8 31.7 133 158 A H S S+ 0 0 124 -2,-1.0 -1,-0.2 1,-0.1 -5,-0.1 0.429 71.1 50.9 -93.7 1.3 8.9 -13.7 32.1 134 159 A V S S+ 0 0 36 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.849 82.0 86.6-103.9 -50.4 11.1 -10.8 31.0 135 160 A T + 0 0 4 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.360 55.3 177.9 -59.7 131.6 10.2 -7.7 33.0 136 161 A R - 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