==== 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 01-NOV-93 1BTL . COMPND 2 MOLECULE: BETA-LACTAMASE TEM1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.JELSCH,L.MOUREY,J.M.MASSON,J.P.SAMAMA . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 67.7 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 . 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 . 31 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 33.8 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 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 94 0, 0.0 3,-1.7 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 137.7 2.9 1.9 8.7 2 27 A P H 3> + 0 0 88 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.764 360.0 68.7 -57.2 -25.3 6.5 1.9 7.3 3 28 A E H 3> S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.835 94.2 56.4 -65.7 -28.0 6.6 5.8 7.3 4 29 A T H <> S+ 0 0 1 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.887 103.3 54.6 -70.2 -33.3 6.5 5.7 11.2 5 30 A L H X S+ 0 0 44 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.830 100.6 59.0 -67.3 -29.8 9.7 3.6 11.0 6 31 A V H X S+ 0 0 94 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.955 108.6 46.7 -59.4 -45.8 11.4 6.4 8.8 7 32 A K H X S+ 0 0 36 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.896 108.6 53.6 -64.8 -38.7 10.8 8.7 11.8 8 33 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.922 110.0 47.8 -63.7 -38.1 12.1 6.2 14.4 9 34 A K H X S+ 0 0 108 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.919 110.2 52.5 -66.8 -42.8 15.4 5.9 12.5 10 35 A D H X S+ 0 0 64 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.881 105.2 54.8 -60.3 -38.7 15.7 9.7 12.2 11 36 A A H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.925 106.6 51.9 -62.5 -39.8 15.2 10.0 16.0 12 37 A E H X>S+ 0 0 29 -4,-1.8 4,-1.6 2,-0.2 5,-1.0 0.917 111.2 48.0 -59.2 -40.0 18.2 7.6 16.5 13 38 A D H <5S+ 0 0 99 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.949 115.0 44.6 -62.4 -49.5 20.3 9.8 14.1 14 39 A Q H <5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 120.6 38.4 -65.0 -39.6 19.2 13.0 16.0 15 40 A L H <5S- 0 0 18 -4,-2.8 227,-0.5 2,-0.2 228,-0.4 0.646 96.8-133.9 -89.1 -15.2 19.8 11.6 19.5 16 41 A G T <5S+ 0 0 64 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.921 73.6 86.4 61.6 42.7 22.9 9.6 18.8 17 42 A A S -A 232 0A 46 5,-2.7 4,-2.0 -2,-0.4 207,-0.2 -0.624 21.9-150.4 -72.5 126.6 -3.5 -4.4 18.5 26 51 A L T 4 S+ 0 0 18 205,-2.0 -1,-0.1 -2,-0.4 206,-0.1 0.891 88.5 45.6 -72.1 -37.7 -5.4 -4.5 21.9 27 52 A N T 4 S+ 0 0 143 204,-0.5 -1,-0.2 1,-0.2 205,-0.1 0.964 128.5 20.5 -68.3 -55.3 -8.2 -7.0 20.9 28 53 A S T 4 S- 0 0 68 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.624 92.4-126.0 -92.0 -18.8 -6.2 -9.6 19.1 29 54 A G < + 0 0 23 -4,-2.0 2,-0.1 1,-0.2 -3,-0.1 0.490 53.7 155.6 83.4 7.9 -2.6 -9.1 20.4 30 55 A K - 0 0 122 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.6 -0.436 46.2-123.0 -72.8 140.9 -1.2 -8.8 16.8 31 56 A I E +B 24 0A 84 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.703 29.4 179.8 -87.1 116.4 2.2 -6.9 16.3 32 57 A L E - 0 0 52 -9,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.816 64.2 -8.4 -86.3 -38.0 1.5 -4.1 13.8 33 58 A E E +B 23 0A 44 -10,-1.2 -10,-2.0 -29,-0.0 -1,-0.3 -0.973 66.0 177.9-156.9 144.4 4.9 -2.5 13.6 34 59 A S E -B 22 0A 46 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.996 17.8-170.7-150.2 162.2 8.3 -2.8 15.5 35 60 A F E S-B 21 0A 45 -14,-2.2 -14,-2.3 -2,-0.3 -2,-0.0 -0.932 86.4 -11.9-149.6 123.9 12.0 -1.6 15.8 36 61 A R S > S+ 0 0 81 -2,-0.3 3,-1.4 -16,-0.2 -14,-0.1 0.879 79.7 167.3 48.3 45.6 14.5 -3.4 18.2 37 62 A P T 3 + 0 0 32 0, 0.0 122,-2.0 0, 0.0 123,-0.4 0.727 68.5 41.6 -65.8 -24.3 11.6 -5.3 19.8 38 63 A E T 3 S+ 0 0 143 120,-0.1 2,-0.3 119,-0.1 -2,-0.1 -0.001 87.8 104.7-113.2 27.5 13.7 -7.8 21.7 39 64 A E S < S- 0 0 67 -3,-1.4 2,-0.3 1,-0.0 117,-0.1 -0.804 72.9-111.2-101.5 153.0 16.6 -5.6 23.0 40 65 A R + 0 0 63 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.623 36.3 173.4 -88.3 142.6 16.7 -4.7 26.7 41 66 A F E -E 156 0B 1 115,-2.3 115,-1.9 -2,-0.3 2,-0.1 -0.977 40.1 -93.6-138.0 147.9 16.1 -1.1 28.0 42 67 A P E -E 155 0B 18 0, 0.0 113,-0.2 0, 0.0 196,-0.2 -0.415 26.4-148.6 -60.4 135.4 15.7 0.3 31.7 43 68 A M > + 0 0 4 111,-2.0 3,-1.7 101,-0.1 112,-0.1 0.818 27.0 174.3 -74.9 -36.7 12.1 0.5 32.8 44 69 A M G > S- 0 0 2 110,-0.5 3,-1.7 100,-0.4 4,-0.2 -0.216 71.1 -14.8 53.7-148.2 12.5 3.6 35.1 45 70 A S G > S+ 0 0 11 167,-0.3 3,-1.6 1,-0.3 4,-0.3 0.582 118.6 86.9 -64.1 -1.9 9.1 4.8 36.5 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.2 1,-0.3 4,-0.6 0.820 76.1 71.0 -69.3 -16.0 7.1 2.7 33.9 47 72 A F H X> S+ 0 0 1 -3,-1.7 4,-2.2 1,-0.2 3,-0.6 0.774 77.9 79.7 -63.2 -22.3 7.4 -0.2 36.5 48 73 A K H <> S+ 0 0 0 -3,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.796 87.0 55.7 -63.2 -24.3 4.9 1.6 38.8 49 74 A V H <> S+ 0 0 0 -3,-1.2 4,-1.6 -4,-0.3 -1,-0.3 0.903 108.6 47.9 -67.8 -41.9 1.9 0.4 36.6 50 75 A L H S+ 0 0 61 -4,-1.6 5,-2.1 2,-0.2 6,-0.7 0.891 109.9 52.3 -62.3 -38.4 -3.9 -9.0 46.5 59 84 A I H ><5S+ 0 0 32 -4,-2.0 3,-1.5 4,-0.2 -2,-0.2 0.940 107.5 51.1 -64.3 -45.8 -7.0 -6.8 47.1 60 85 A D H 3<5S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.2 53.1 -56.9 -37.4 -9.1 -9.2 44.9 61 86 A A T 3<5S- 0 0 70 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.395 117.5-111.1 -81.0 2.5 -7.9 -12.2 46.9 62 87 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.533 90.0 112.8 79.7 8.7 -8.9 -10.6 50.2 63 88 A Q S - 0 0 115 -2,-0.3 3,-1.1 1,-0.1 29,-0.3 -0.987 14.6-137.3-128.8 142.6 -7.7 -3.3 51.4 66 91 A L T 3 S+ 0 0 40 -2,-0.3 29,-2.0 1,-0.2 28,-0.4 0.872 106.0 52.7 -59.3 -38.7 -7.9 -0.0 49.4 67 92 A G T 3 S+ 0 0 48 27,-0.2 -1,-0.2 26,-0.2 2,-0.1 0.463 78.0 121.3 -81.2 0.2 -8.8 1.9 52.6 68 93 A R < - 0 0 92 -3,-1.1 26,-1.6 25,-0.1 2,-0.4 -0.401 58.6-132.7 -68.2 136.5 -5.9 0.6 54.8 69 94 A R E -F 93 0C 111 24,-0.2 2,-0.4 -2,-0.1 24,-0.3 -0.771 14.2-157.2 -96.1 136.5 -3.7 3.5 56.2 70 95 A I E -F 92 0C 17 22,-2.9 22,-1.6 -2,-0.4 2,-0.3 -0.908 4.7-157.2-112.0 129.9 0.1 3.4 56.0 71 96 A H + 0 0 136 -2,-0.4 2,-0.3 20,-0.2 17,-0.1 -0.820 20.5 161.9-104.1 147.8 2.2 5.5 58.5 72 97 A Y - 0 0 23 -2,-0.3 2,-0.2 16,-0.3 19,-0.1 -0.923 22.1-135.7-152.9 176.5 5.8 6.5 57.6 73 98 A S > - 0 0 39 -2,-0.3 3,-1.9 1,-0.0 4,-0.4 -0.770 37.4 -86.2-135.9 179.7 8.3 9.2 58.8 74 99 A Q G > S+ 0 0 119 1,-0.3 3,-1.4 -2,-0.2 -1,-0.0 0.818 119.0 68.9 -59.5 -31.2 10.9 11.7 57.5 75 100 A N G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.731 95.7 55.0 -58.5 -24.0 13.5 8.9 57.4 76 101 A D G < S+ 0 0 73 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.614 81.2 109.7 -87.4 -12.4 11.6 7.2 54.5 77 102 A L < + 0 0 52 -3,-1.4 2,-0.2 -4,-0.4 3,-0.1 -0.472 42.7 177.5 -74.4 129.6 11.6 10.2 52.2 78 103 A V - 0 0 47 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.682 43.8 -55.7-116.1 176.8 13.8 10.0 49.0 79 104 A E S S+ 0 0 138 -2,-0.2 28,-0.2 1,-0.2 -1,-0.1 -0.221 114.7 21.2 -53.0 141.5 14.3 12.4 46.1 80 105 A Y + 0 0 119 1,-0.1 27,-2.5 27,-0.1 28,-0.3 0.988 69.8 144.7 56.3 76.8 11.2 13.5 44.1 81 106 A S > + 0 0 3 25,-0.2 4,-1.9 26,-0.2 5,-0.2 -0.403 9.4 160.9-130.8 61.9 8.4 12.9 46.5 82 107 A P T 4 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.754 77.7 31.8 -63.7 -30.7 5.8 15.8 45.8 83 108 A V T >4 S+ 0 0 35 2,-0.1 3,-1.2 17,-0.1 4,-0.1 0.870 116.9 50.5 -93.4 -43.9 2.7 14.1 47.4 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.844 102.1 61.6 -70.9 -28.7 4.2 12.0 50.3 85 110 A E G 3< S+ 0 0 113 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.674 99.4 57.3 -72.1 -11.0 6.2 14.8 51.7 86 111 A K G < S+ 0 0 153 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.319 106.0 49.6 -92.8 1.8 3.0 16.8 52.4 87 112 A H <> + 0 0 76 -3,-1.7 4,-2.0 -4,-0.1 3,-0.4 0.144 61.8 124.6-134.3 27.1 1.3 14.1 54.5 88 113 A L T 4 S+ 0 0 67 -3,-0.3 -16,-0.3 1,-0.2 -1,-0.1 0.778 73.2 56.9 -55.1 -33.2 3.9 13.0 57.1 89 114 A T T 4 S+ 0 0 125 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.899 122.1 16.5 -71.4 -45.9 1.5 13.7 60.1 90 115 A D T 4 S- 0 0 117 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.489 96.1-135.2-110.6 -3.2 -1.5 11.5 59.2 91 116 A G < - 0 0 3 -4,-2.0 2,-0.3 -7,-0.1 -20,-0.2 -0.123 19.7 -96.1 77.3-175.0 -0.2 9.0 56.6 92 117 A M E -F 70 0C 4 -22,-1.6 -22,-2.9 -4,-0.1 2,-0.1 -0.949 27.1-113.8-142.2 153.0 -2.0 7.9 53.3 93 118 A T E > -F 69 0C 13 -2,-0.3 4,-2.2 -24,-0.3 -24,-0.2 -0.471 34.4-105.6 -84.2 165.3 -4.2 5.0 52.3 94 119 A V H > S+ 0 0 1 -26,-1.6 4,-2.4 -28,-0.4 5,-0.2 0.918 123.9 52.7 -55.8 -42.3 -3.2 2.2 49.8 95 120 A R H > S+ 0 0 112 -29,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.915 109.5 47.9 -58.0 -46.3 -5.5 3.9 47.2 96 121 A E H > S+ 0 0 78 -30,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.861 110.4 51.7 -67.3 -33.7 -3.9 7.3 47.8 97 122 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.907 110.5 46.7 -73.3 -39.3 -0.3 5.8 47.4 98 123 A a H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.929 112.0 52.2 -66.2 -41.3 -1.1 4.1 44.0 99 124 A S H X S+ 0 0 44 -4,-2.2 4,-2.4 -5,-0.2 5,-0.5 0.923 113.0 45.2 -55.2 -44.6 -2.8 7.3 42.8 100 125 A A H X S+ 0 0 4 -4,-2.0 6,-1.9 1,-0.2 4,-1.2 0.887 112.3 50.2 -65.9 -43.0 0.5 9.3 43.8 101 126 A A H < S+ 0 0 0 -4,-2.2 4,-0.5 4,-0.2 -1,-0.2 0.912 121.0 33.5 -64.0 -43.0 2.9 6.7 42.3 102 127 A I H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.947 124.6 36.9 -83.0 -48.1 1.1 6.6 38.9 103 128 A T H < S+ 0 0 12 -4,-2.4 87,-2.4 -5,-0.3 88,-0.6 0.808 135.0 21.2 -79.8 -27.4 -0.3 10.2 38.3 104 129 A M S < S- 0 0 55 -4,-1.2 -1,-0.2 -5,-0.5 -3,-0.2 0.389 96.3-123.8-116.2 -1.8 2.7 12.2 39.9 105 130 A S - 0 0 14 -4,-0.5 -4,-0.2 -5,-0.3 2,-0.2 0.787 39.9-174.3 61.7 28.8 5.6 9.6 39.7 106 131 A D > - 0 0 0 -6,-1.9 4,-1.2 1,-0.1 -25,-0.2 -0.358 15.1-158.9 -60.1 122.9 6.2 9.9 43.5 107 132 A N H > S+ 0 0 13 -27,-2.5 4,-1.7 -2,-0.2 34,-0.2 0.882 87.0 50.5 -76.5 -40.8 9.3 7.8 44.5 108 133 A T H > S+ 0 0 1 -28,-0.3 4,-2.3 -30,-0.3 5,-0.2 0.901 106.0 57.9 -65.4 -36.5 8.6 7.3 48.2 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 106.2 49.4 -58.4 -40.6 5.0 6.0 47.5 110 135 A A H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.916 109.3 50.4 -67.0 -44.8 6.5 3.3 45.3 111 136 A N H X S+ 0 0 25 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.902 110.2 51.2 -59.9 -38.4 9.1 2.2 48.0 112 137 A L H X S+ 0 0 24 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.915 111.8 46.1 -67.1 -39.4 6.2 2.0 50.6 113 138 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.885 107.6 57.7 -70.6 -36.0 4.1 -0.2 48.3 114 139 A L H >X>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.8 0.927 104.5 52.8 -57.1 -43.1 7.1 -2.5 47.5 115 140 A T H ><5S+ 0 0 95 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.934 104.7 55.0 -60.1 -41.2 7.5 -3.2 51.2 116 141 A T H 3<5S+ 0 0 36 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.782 111.8 42.9 -66.6 -27.1 3.8 -4.3 51.6 117 142 A I H <<5S- 0 0 22 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.504 125.8 -94.4 -95.3 -2.4 4.1 -6.9 48.8 118 143 A G T <<5 - 0 0 52 -3,-1.2 4,-0.4 -4,-0.8 3,-0.2 0.665 64.7 -86.1 100.5 14.0 7.5 -8.3 49.9 119 144 A G >>< - 0 0 5 -5,-2.7 4,-1.5 -6,-0.2 3,-1.1 -0.014 69.0 -36.6 89.5-179.7 10.0 -6.3 47.7 120 145 A P H 3> S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 17,-0.4 0.835 129.5 58.4 -47.2 -41.9 11.6 -6.5 44.2 121 146 A K H 3> S+ 0 0 172 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.871 105.6 48.8 -62.6 -37.2 11.8 -10.4 44.3 122 147 A E H <> S+ 0 0 106 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.2 0.831 109.4 50.4 -76.6 -31.6 8.0 -10.8 44.8 123 148 A L H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.951 111.2 49.5 -68.0 -45.4 7.1 -8.4 42.0 124 149 A T H X S+ 0 0 41 -4,-2.5 4,-2.4 13,-0.3 -2,-0.2 0.922 111.1 50.9 -58.8 -39.6 9.4 -10.4 39.6 125 150 A A H X S+ 0 0 39 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.902 107.8 52.1 -62.1 -37.7 7.8 -13.7 40.9 126 151 A F H X S+ 0 0 44 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.910 111.3 48.0 -64.5 -42.8 4.3 -12.2 40.1 127 152 A L H ><>S+ 0 0 2 -4,-2.1 5,-2.2 1,-0.2 3,-1.1 0.926 108.3 53.2 -62.9 -48.3 5.4 -11.3 36.5 128 153 A H H ><5S+ 0 0 100 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.902 105.8 56.0 -53.3 -46.0 6.9 -14.8 35.9 129 154 A N H 3<5S+ 0 0 138 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.668 103.3 52.0 -64.5 -22.8 3.6 -16.4 36.9 130 155 A M T <<5S- 0 0 25 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.217 130.1 -89.5 -97.6 14.0 1.5 -14.6 34.4 131 156 A G T < 5S+ 0 0 44 -3,-1.5 2,-0.9 1,-0.2 -3,-0.2 0.442 88.1 124.8 101.6 3.3 3.8 -15.6 31.6 132 157 A D < + 0 0 10 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.796 22.0 166.2 -99.1 103.4 6.5 -12.8 31.4 133 158 A H S S+ 0 0 133 -2,-0.9 -1,-0.1 1,-0.1 -5,-0.1 0.200 70.9 53.2 -97.4 18.3 9.9 -14.5 31.8 134 159 A V S S+ 0 0 41 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.807 81.9 81.7-117.3 -56.9 11.9 -11.4 30.7 135 160 A T + 0 0 5 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.350 57.3 176.9 -61.3 133.5 10.9 -8.3 32.8 136 161 A R - 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