==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-05 1YT4 . COMPND 2 MOLECULE: BETA-LACTAMASE TEM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.L.THOMAS,D.GOLEMI-KOTRA,C.KIM,S.B.VAKULENKO,S.MOBASHERY, . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 68.8 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 . 28 10.6 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 . 7 2.7 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 2 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 89 0, 0.0 3,-2.0 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 137.3 2.9 1.0 8.9 2 27 A P H 3> + 0 0 81 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.742 360.0 72.4 -61.1 -20.1 6.5 0.9 7.8 3 28 A E H 3> S+ 0 0 99 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.833 95.8 52.7 -63.0 -25.8 6.4 4.7 7.3 4 29 A T H <> S+ 0 0 1 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.863 103.4 55.8 -76.5 -30.5 6.5 4.8 11.2 5 30 A L H X S+ 0 0 38 -4,-0.9 4,-2.7 1,-0.2 5,-0.2 0.828 100.7 59.9 -66.4 -30.9 9.6 2.6 11.2 6 31 A V H X S+ 0 0 89 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.922 107.5 45.3 -59.0 -43.1 11.2 5.2 9.0 7 32 A K H X S+ 0 0 19 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.819 110.4 53.3 -70.9 -31.4 10.6 7.7 11.8 8 33 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.927 112.2 44.6 -67.9 -45.0 11.9 5.2 14.5 9 34 A K H X S+ 0 0 107 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.906 110.6 54.8 -66.1 -37.6 15.1 4.7 12.5 10 35 A D H X S+ 0 0 53 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.902 106.7 52.2 -60.3 -38.3 15.3 8.5 11.9 11 36 A A H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.908 106.4 52.7 -64.6 -41.8 15.1 8.9 15.7 12 37 A E H X>S+ 0 0 26 -4,-2.0 4,-1.4 1,-0.2 5,-1.2 0.906 111.6 47.3 -60.1 -38.1 18.0 6.4 16.2 13 38 A D H <5S+ 0 0 89 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.929 115.1 43.9 -68.5 -45.9 20.0 8.5 13.8 14 39 A Q H <5S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 122.2 37.9 -68.1 -35.0 19.2 11.8 15.5 15 40 A L H <5S- 0 0 10 -4,-2.9 227,-0.6 2,-0.2 228,-0.4 0.605 96.7-133.4 -92.5 -13.3 19.7 10.5 19.0 16 41 A G T <5S+ 0 0 59 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.953 72.6 94.3 58.9 47.6 22.7 8.3 18.3 17 42 A A S -A 232 0A 41 5,-3.0 4,-2.0 -2,-0.4 207,-0.3 -0.672 21.6-150.5 -77.6 125.8 -4.0 -3.7 18.7 26 51 A L T 4 S+ 0 0 16 205,-2.3 -1,-0.2 -2,-0.5 206,-0.2 0.902 90.0 47.1 -65.1 -41.4 -5.8 -3.4 22.0 27 52 A N T 4 S+ 0 0 139 204,-0.6 -1,-0.2 1,-0.1 205,-0.1 0.978 127.8 20.2 -63.6 -59.5 -8.7 -5.7 21.1 28 53 A S T 4 S- 0 0 68 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.760 92.4-127.8 -85.1 -30.6 -6.9 -8.6 19.6 29 54 A G < + 0 0 18 -4,-2.0 2,-0.2 1,-0.3 -3,-0.1 0.511 54.5 152.2 90.8 5.8 -3.4 -8.2 21.0 30 55 A K - 0 0 130 -5,-0.1 -5,-3.0 -6,-0.1 2,-0.6 -0.508 49.7-122.0 -74.6 138.0 -1.8 -8.4 17.5 31 56 A I E -B 24 0A 55 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.702 28.6-177.7 -78.8 115.9 1.5 -6.6 17.0 32 57 A L E - 0 0 67 -9,-2.5 2,-0.3 -2,-0.6 -8,-0.2 0.851 67.0 -4.0 -84.0 -37.4 0.9 -4.1 14.2 33 58 A E E +B 23 0A 40 -10,-1.5 -10,-2.2 2,-0.0 -1,-0.3 -0.991 67.2 177.7-154.9 149.4 4.4 -2.8 14.0 34 59 A S E -B 22 0A 41 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.998 17.5-170.8-155.1 155.8 7.7 -3.2 15.9 35 60 A F E S-B 21 0A 50 -14,-2.3 -14,-2.5 -2,-0.3 -2,-0.0 -0.959 87.2 -9.6-146.8 125.7 11.4 -2.3 16.1 36 61 A R S > S+ 0 0 75 -2,-0.3 3,-1.6 -16,-0.2 123,-0.1 0.880 79.0 169.2 48.6 46.7 13.8 -4.1 18.5 37 62 A P T 3 S+ 0 0 43 0, 0.0 122,-2.4 0, 0.0 123,-0.5 0.775 72.0 37.0 -57.0 -31.5 10.7 -5.8 20.1 38 63 A E T 3 S+ 0 0 146 120,-0.2 2,-0.3 119,-0.1 -2,-0.1 0.040 90.6 105.8-115.4 26.5 12.8 -8.2 22.2 39 64 A E S < S- 0 0 67 -3,-1.6 2,-0.3 1,-0.0 120,-0.1 -0.735 73.1-109.6 -97.8 154.0 15.8 -6.1 23.2 40 65 A R + 0 0 53 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.632 36.2 175.0 -89.1 144.3 16.0 -4.9 26.8 41 66 A F E -E 156 0B 1 115,-2.4 115,-2.2 -2,-0.3 2,-0.2 -0.989 39.7 -98.3-142.0 147.4 15.5 -1.3 27.9 42 67 A P E -E 155 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.470 27.6-150.1 -65.0 133.7 15.4 0.3 31.3 43 68 A M > + 0 0 2 111,-2.3 3,-1.8 -2,-0.2 112,-0.1 0.823 25.5 177.7 -73.3 -32.8 11.7 0.8 32.3 44 69 A M G > - 0 0 2 110,-0.6 3,-1.9 100,-0.4 4,-0.1 -0.277 69.3 -16.6 55.0-147.2 12.3 3.9 34.5 45 70 A S G > S+ 0 0 16 1,-0.3 3,-2.0 167,-0.2 4,-0.3 0.573 119.3 86.4 -67.6 -6.5 9.0 5.3 35.9 46 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.6 0.785 76.3 72.4 -63.2 -18.5 6.9 3.3 33.4 47 72 A F H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.2 3,-0.4 0.744 77.6 79.0 -65.3 -20.2 7.2 0.5 36.0 48 73 A K H <> S+ 0 0 0 -3,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.801 87.8 54.7 -62.4 -26.1 4.8 2.6 38.2 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.3 0.900 109.5 47.2 -71.3 -40.4 1.8 1.4 36.2 50 75 A L H X S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.4 -2,-0.2 0.887 110.6 53.9 -65.6 -40.4 2.8 -2.2 36.8 51 76 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 109.9 45.1 -58.8 -48.8 3.3 -1.5 40.5 52 77 A a H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.814 108.6 57.5 -70.9 -26.2 -0.2 -0.0 40.8 53 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.921 108.1 47.7 -64.2 -43.8 -1.6 -3.0 38.9 54 79 A A H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.898 111.5 50.4 -63.1 -40.7 -0.0 -5.3 41.5 55 80 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.945 111.1 48.2 -61.0 -46.6 -1.5 -3.1 44.3 56 81 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.847 106.8 56.6 -63.8 -34.1 -5.0 -3.3 42.6 57 82 A S H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.943 107.9 48.6 -61.0 -43.0 -4.6 -7.1 42.3 58 83 A R H <>S+ 0 0 58 -4,-1.9 5,-2.8 1,-0.2 6,-1.1 0.851 109.7 51.6 -66.0 -35.1 -4.1 -7.2 46.1 59 84 A V H ><5S+ 0 0 35 -4,-1.9 3,-1.5 4,-0.2 -1,-0.2 0.931 109.1 50.9 -65.4 -43.4 -7.2 -5.0 46.6 60 85 A D H 3<5S+ 0 0 56 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.845 110.1 50.3 -61.2 -35.5 -9.2 -7.4 44.4 61 86 A A T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.429 117.0-113.2 -83.6 0.4 -7.9 -10.3 46.5 62 87 A G T < 5S+ 0 0 57 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.654 89.5 113.2 75.9 16.2 -8.9 -8.6 49.8 63 88 A Q S - 0 0 99 -2,-0.3 3,-1.6 1,-0.1 29,-0.4 -0.996 13.6-141.9-129.6 130.9 -7.6 -1.6 50.8 66 91 A L T 3 S+ 0 0 22 -2,-0.4 29,-2.6 1,-0.3 30,-0.4 0.810 103.8 52.8 -59.6 -28.7 -7.4 1.6 48.7 67 92 A G T 3 S+ 0 0 44 27,-0.2 -1,-0.3 26,-0.2 2,-0.2 0.442 78.5 120.9 -88.6 2.0 -8.4 3.7 51.7 68 93 A R < - 0 0 94 -3,-1.6 26,-1.7 1,-0.1 2,-0.4 -0.457 62.5-128.3 -69.5 133.2 -5.8 2.4 54.1 69 94 A R E -F 93 0C 114 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.706 18.1-158.6 -87.7 130.2 -3.6 5.1 55.4 70 95 A I E -F 92 0C 17 22,-3.3 22,-2.3 -2,-0.4 2,-0.3 -0.915 5.8-155.3-107.9 131.2 0.2 4.8 55.1 71 96 A H + 0 0 129 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.792 19.7 165.3-105.1 148.6 2.4 6.8 57.4 72 97 A Y - 0 0 19 16,-0.5 2,-0.2 -2,-0.3 19,-0.1 -0.922 20.1-132.8-152.3 174.5 6.0 7.7 56.6 73 98 A S >> - 0 0 50 -2,-0.3 3,-1.8 1,-0.0 4,-0.7 -0.770 38.7 -89.6-131.7 177.7 8.8 10.0 57.6 74 99 A Q G >4 S+ 0 0 131 1,-0.3 3,-0.9 -2,-0.2 -1,-0.0 0.815 120.8 65.7 -55.1 -32.1 11.5 12.4 56.3 75 100 A N G 34 S+ 0 0 143 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.763 97.4 53.0 -61.9 -31.4 13.8 9.3 56.0 76 101 A D G <4 S+ 0 0 69 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.657 84.7 107.9 -80.3 -18.3 11.6 7.7 53.3 77 102 A L << + 0 0 37 -3,-0.9 2,-0.2 -4,-0.7 3,-0.0 -0.414 44.7 178.1 -68.5 131.5 11.7 10.8 51.1 78 103 A V - 0 0 41 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.740 43.7 -56.7-121.6 174.6 13.7 10.6 47.9 79 104 A E S S+ 0 0 164 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.208 114.4 18.8 -60.0 141.1 14.3 13.1 45.1 80 105 A Y + 0 0 99 1,-0.1 27,-2.3 26,-0.1 28,-0.3 0.997 68.9 147.9 62.4 81.5 11.2 14.4 43.3 81 106 A S > + 0 0 2 25,-0.2 4,-2.0 26,-0.2 5,-0.2 -0.561 10.1 165.7-140.9 67.3 8.3 13.7 45.7 82 107 A P T 4 S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.844 77.9 30.9 -55.3 -41.2 5.9 16.6 45.0 83 108 A V T >4 S+ 0 0 32 2,-0.1 3,-1.4 1,-0.1 4,-0.5 0.920 118.2 51.3 -88.3 -49.4 2.8 15.1 46.7 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.822 100.9 63.3 -60.1 -30.9 4.4 13.0 49.4 85 110 A E G 3< S+ 0 0 106 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.787 102.0 52.7 -66.1 -21.4 6.6 15.9 50.7 86 111 A K G < S+ 0 0 150 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.566 108.6 49.3 -88.0 -9.2 3.3 17.7 51.6 87 112 A H <> + 0 0 53 -3,-1.2 4,-3.2 -4,-0.5 3,-0.3 0.099 63.2 123.9-119.8 22.8 1.8 14.9 53.7 88 113 A L T 4 S+ 0 0 46 -3,-0.4 -16,-0.5 1,-0.2 -1,-0.1 0.869 88.6 33.2 -50.3 -42.1 4.6 13.8 56.0 89 114 A T T 4 S+ 0 0 132 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.657 122.0 46.5 -94.3 -10.7 2.4 14.4 59.0 90 115 A D T 4 S- 0 0 88 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.717 93.7-147.9 -95.4 -25.8 -1.0 13.4 57.5 91 116 A G < - 0 0 1 -4,-3.2 2,-0.3 -7,-0.1 -20,-0.2 -0.180 16.2-108.1 76.2 177.3 0.1 10.2 55.8 92 117 A M E -F 70 0C 3 -22,-2.3 -22,-3.3 -4,-0.1 2,-0.1 -0.996 19.0-117.0-144.1 146.7 -1.5 9.2 52.5 93 118 A T E > -F 69 0C 16 -2,-0.3 4,-2.2 -24,-0.3 -24,-0.2 -0.409 33.7-108.0 -78.1 162.1 -4.0 6.4 51.6 94 119 A V H > S+ 0 0 0 -26,-1.7 4,-2.4 -29,-0.4 5,-0.2 0.920 121.9 51.4 -54.6 -45.4 -3.0 3.7 49.1 95 120 A R H > S+ 0 0 111 -29,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.908 109.3 49.0 -59.7 -44.3 -5.2 5.3 46.5 96 121 A E H > S+ 0 0 84 -30,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.850 110.3 52.8 -65.0 -34.7 -3.6 8.7 47.0 97 122 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.913 109.6 46.6 -68.0 -43.2 -0.2 7.1 46.7 98 123 A a H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.919 112.7 50.7 -65.0 -40.6 -1.0 5.4 43.4 99 124 A S H X>S+ 0 0 43 -4,-2.3 4,-2.4 -5,-0.2 5,-0.8 0.953 113.1 46.3 -60.4 -46.4 -2.5 8.6 42.0 100 125 A A H X5S+ 0 0 2 -4,-2.4 6,-2.3 3,-0.2 4,-1.0 0.917 113.8 48.1 -62.2 -42.5 0.7 10.5 43.1 101 126 A A H <5S+ 0 0 0 -4,-2.8 4,-0.5 4,-0.2 -2,-0.2 0.943 122.5 31.7 -65.1 -45.2 3.0 7.9 41.6 102 127 A I H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.932 128.8 32.3 -82.3 -46.2 1.3 7.6 38.2 103 128 A T H <5S+ 0 0 13 -4,-2.4 87,-2.0 -5,-0.4 88,-0.3 0.854 133.7 26.0 -83.8 -32.3 -0.1 11.1 37.7 104 129 A M S < - 0 0 0 -6,-2.3 4,-1.3 1,-0.2 -25,-0.2 -0.472 16.0-164.0 -67.6 117.6 6.1 10.9 42.8 107 132 A N H > S+ 0 0 23 -27,-2.3 4,-2.0 -2,-0.4 34,-0.2 0.839 86.2 51.9 -73.1 -37.9 9.1 8.7 43.6 108 133 A T H > S+ 0 0 0 -28,-0.3 4,-2.6 -30,-0.3 5,-0.2 0.902 106.4 56.0 -66.5 -38.9 8.6 8.3 47.4 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 107.3 49.9 -58.7 -41.5 5.0 7.3 46.7 110 135 A A H X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.928 110.5 48.7 -62.6 -44.3 6.3 4.5 44.4 111 136 A N H X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.885 110.7 50.8 -63.3 -38.2 8.8 3.3 47.1 112 137 A L H X S+ 0 0 17 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.926 112.7 46.2 -65.6 -42.9 6.1 3.3 49.8 113 138 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.891 108.1 57.4 -64.6 -39.5 3.8 1.2 47.5 114 139 A L H X>S+ 0 0 0 -4,-2.7 5,-3.2 1,-0.2 4,-0.7 0.920 105.2 51.3 -56.6 -43.2 6.7 -1.1 46.6 115 140 A T H ><5S+ 0 0 91 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.897 105.1 56.5 -61.5 -41.4 7.1 -1.9 50.3 116 141 A T H 3<5S+ 0 0 27 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 110.0 43.5 -62.6 -28.1 3.4 -2.7 50.7 117 142 A I H 3<5S- 0 0 13 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.505 127.8 -88.1 -97.9 -0.7 3.4 -5.4 48.0 118 143 A G T >< - 0 0 4 -5,-3.2 4,-2.0 -6,-0.2 3,-0.6 -0.066 68.3 -36.6 78.8-175.9 9.2 -5.0 47.0 120 145 A P H 3> S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 17,-0.5 0.834 133.3 59.8 -51.3 -37.7 10.8 -5.5 43.6 121 146 A K H 3> S+ 0 0 168 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.921 108.6 42.5 -59.6 -45.5 11.0 -9.3 44.1 122 147 A E H S+ 0 0 1 -4,-2.3 5,-2.5 2,-0.2 3,-0.5 0.937 111.2 49.3 -65.4 -44.7 4.6 -10.1 36.4 128 153 A H H ><5S+ 0 0 101 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.919 108.6 55.1 -61.3 -42.2 5.9 -13.6 35.8 129 154 A N H 3<5S+ 0 0 145 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 106.7 49.7 -61.0 -31.1 2.6 -15.1 37.1 130 155 A M T 3<5S- 0 0 23 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.344 131.1 -88.3 -93.4 8.9 0.6 -13.1 34.6 131 156 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.9 -4,-0.3 -3,-0.2 0.440 89.7 121.3 106.2 0.8 2.7 -14.2 31.7 132 157 A D < + 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.837 28.3 171.6-100.8 103.0 5.5 -11.6 31.4 133 158 A H S S+ 0 0 125 -2,-0.9 -1,-0.1 1,-0.1 -5,-0.1 0.320 71.4 43.5 -94.1 6.7 8.7 -13.6 31.8 134 159 A V S S+ 0 0 38 -7,-0.1 21,-0.2 23,-0.1 2,-0.2 0.688 82.1 94.6-120.8 -31.6 11.2 -10.9 31.0 135 160 A T + 0 0 3 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.436 53.6 175.9 -66.5 132.7 10.1 -7.7 32.8 136 161 A R - 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