==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-APR-02 1LHY . COMPND 2 MOLECULE: CLASS A BETA-LACTAMASE- TEM 30; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.WANG,G.MINASOV,B.K.SHOICHET . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 71.1 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 . 39 14.8 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 . 4 1.5 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 . 94 35.7 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 0 0 0 0 0 0 3 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 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 . 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 91 0, 0.0 3,-2.3 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 134.6 2.8 0.9 8.9 2 27 A P H 3> + 0 0 75 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.735 360.0 70.6 -53.5 -25.5 6.4 0.9 7.6 3 28 A E H 3> S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.848 98.0 52.0 -62.2 -29.2 6.3 4.7 7.3 4 29 A T H <> S+ 0 0 1 -3,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.852 103.8 55.0 -75.3 -30.2 6.3 4.8 11.1 5 30 A L H X S+ 0 0 42 -4,-0.8 4,-2.5 1,-0.2 5,-0.2 0.874 102.2 60.1 -67.4 -32.2 9.4 2.5 11.1 6 31 A V H X S+ 0 0 90 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.929 105.7 46.2 -58.2 -45.4 11.0 5.1 8.9 7 32 A K H X S+ 0 0 18 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.853 109.7 54.1 -67.1 -35.3 10.5 7.7 11.7 8 33 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.923 109.9 46.8 -64.9 -42.9 11.8 5.3 14.4 9 34 A K H X S+ 0 0 107 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 111.3 52.0 -65.5 -39.1 15.0 4.8 12.3 10 35 A D H X S+ 0 0 60 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.936 107.0 54.7 -58.5 -44.7 15.2 8.6 11.9 11 36 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.947 107.1 48.9 -55.1 -49.5 14.8 8.8 15.7 12 37 A E H X>S+ 0 0 30 -4,-2.4 4,-1.5 1,-0.2 5,-1.2 0.876 112.3 48.7 -58.0 -39.2 17.8 6.5 16.1 13 38 A D H <5S+ 0 0 89 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.895 115.0 44.9 -67.2 -41.1 19.9 8.6 13.7 14 39 A Q H <5S+ 0 0 119 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.906 121.9 36.1 -68.9 -43.6 18.9 11.8 15.5 15 40 A L H <5S- 0 0 12 -4,-3.1 227,-0.6 -5,-0.2 228,-0.4 0.614 97.0-134.2 -86.5 -14.7 19.5 10.5 19.0 16 41 A G T <5S+ 0 0 63 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.947 73.7 94.0 58.6 46.2 22.5 8.4 18.1 17 42 A A S -A 232 0A 39 5,-3.2 4,-2.1 -2,-0.4 207,-0.3 -0.581 22.5-153.8 -71.2 118.7 -4.1 -3.8 18.6 26 51 A L T 4 S+ 0 0 16 205,-2.1 206,-0.2 -2,-0.5 -1,-0.2 0.861 87.8 48.8 -62.8 -37.8 -5.8 -3.4 21.9 27 52 A N T 4 S+ 0 0 135 204,-0.6 -1,-0.2 1,-0.1 205,-0.1 0.970 127.5 16.9 -66.6 -59.7 -8.7 -5.7 21.0 28 53 A S T 4 S- 0 0 52 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.586 95.3-121.0 -94.7 -14.9 -7.0 -8.8 19.7 29 54 A G < + 0 0 21 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.584 55.4 158.1 83.7 9.5 -3.5 -8.3 20.9 30 55 A K - 0 0 143 -5,-0.2 -5,-3.2 1,-0.1 2,-0.9 -0.412 44.4-126.9 -68.7 142.5 -2.0 -8.3 17.4 31 56 A I E +B 24 0A 81 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.821 28.6 179.1 -91.4 104.9 1.4 -6.7 16.9 32 57 A L E - 0 0 68 -9,-1.7 2,-0.3 -2,-0.9 -1,-0.2 0.895 65.5 -4.1 -74.0 -42.0 0.8 -4.2 14.0 33 58 A E E +B 23 0A 40 -10,-1.6 -10,-2.4 -32,-0.0 2,-0.3 -0.996 65.3 176.9-152.1 152.4 4.4 -2.9 13.9 34 59 A S E -B 22 0A 42 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.998 17.0-171.2-158.2 155.5 7.7 -3.2 15.8 35 60 A F E S-B 21 0A 48 -14,-2.2 -14,-3.0 -2,-0.3 -2,-0.0 -0.952 87.9 -9.3-147.8 124.1 11.3 -2.2 16.0 36 61 A R S > S+ 0 0 77 -2,-0.3 3,-2.0 -16,-0.2 123,-0.2 0.819 79.6 166.9 51.5 37.6 13.7 -3.9 18.5 37 62 A P T 3 S+ 0 0 37 0, 0.0 122,-2.5 0, 0.0 123,-0.5 0.770 71.8 38.7 -50.4 -33.4 10.7 -5.6 20.1 38 63 A E T 3 S+ 0 0 150 120,-0.2 2,-0.3 119,-0.1 -2,-0.1 0.013 90.0 103.6-114.2 29.1 12.8 -8.1 22.0 39 64 A E S < S- 0 0 62 -3,-2.0 2,-0.3 1,-0.0 120,-0.2 -0.696 74.0-109.2-100.3 160.2 15.7 -6.0 23.1 40 65 A R + 0 0 50 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.708 36.4 176.1 -94.8 145.4 15.9 -4.8 26.7 41 66 A F E -E 156 0B 0 115,-2.4 115,-2.1 -2,-0.3 2,-0.2 -0.992 39.2 -96.3-143.2 146.9 15.4 -1.2 27.8 42 67 A P E -E 155 0B 13 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.452 27.2-149.6 -65.6 129.6 15.3 0.5 31.2 43 68 A M > + 0 0 2 111,-2.2 3,-1.7 -2,-0.2 112,-0.1 0.839 27.6 174.5 -66.9 -37.2 11.6 0.9 32.3 44 69 A M G > S- 0 0 2 110,-0.5 3,-2.0 100,-0.4 4,-0.2 -0.228 70.2 -16.1 56.1-150.7 12.2 4.1 34.4 45 70 A S G > S+ 0 0 10 1,-0.3 3,-1.7 167,-0.3 -1,-0.3 0.600 122.0 83.4 -59.4 -12.5 8.9 5.5 35.7 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.3 4,-0.6 0.745 77.3 71.4 -63.7 -19.4 6.9 3.4 33.3 47 72 A F H <> S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.735 79.5 77.4 -66.6 -19.9 7.2 0.6 35.8 48 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.750 87.0 56.8 -63.5 -24.3 4.8 2.5 38.1 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.2 -4,-0.3 -1,-0.2 0.923 110.0 45.7 -70.8 -41.3 1.8 1.4 36.0 50 75 A L H X S+ 0 0 1 -4,-0.6 4,-1.9 -3,-0.2 -2,-0.2 0.900 110.4 54.2 -65.0 -43.2 2.9 -2.2 36.7 51 76 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.4 0.961 110.5 45.2 -55.2 -55.2 3.4 -1.5 40.4 52 77 A a H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.698 107.4 58.3 -66.7 -18.6 -0.1 -0.0 40.8 53 78 A G H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.2 -1,-0.2 0.871 107.9 47.7 -74.8 -36.0 -1.6 -2.9 38.8 54 79 A A H X S+ 0 0 5 -4,-1.9 4,-2.0 -3,-0.4 -2,-0.2 0.873 111.0 50.8 -69.0 -39.9 -0.1 -5.3 41.4 55 80 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.943 111.7 47.8 -62.2 -45.9 -1.5 -3.1 44.2 56 81 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.872 106.7 57.0 -62.8 -37.4 -4.9 -3.2 42.5 57 82 A S H X S+ 0 0 30 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.934 106.8 49.3 -59.3 -43.8 -4.6 -7.0 42.2 58 83 A R H <>S+ 0 0 63 -4,-2.0 5,-3.0 1,-0.2 6,-1.0 0.851 110.0 51.9 -63.9 -33.7 -4.1 -7.1 46.0 59 84 A V H ><5S+ 0 0 33 -4,-1.7 3,-1.8 4,-0.2 -2,-0.2 0.926 106.3 52.7 -69.4 -42.1 -7.1 -4.9 46.4 60 85 A D H 3<5S+ 0 0 55 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.861 110.8 48.4 -61.0 -33.5 -9.2 -7.3 44.2 61 86 A A T 3<5S- 0 0 67 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.408 116.3-116.3 -86.1 3.4 -8.1 -10.1 46.5 62 87 A G T < 5S+ 0 0 55 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.697 86.9 115.5 71.4 16.7 -9.0 -8.2 49.6 63 88 A Q S - 0 0 98 -2,-0.3 3,-1.9 1,-0.1 29,-0.4 -0.994 12.6-144.2-131.1 128.0 -7.5 -1.3 50.6 66 91 A L T 3 S+ 0 0 24 -2,-0.4 29,-2.8 1,-0.3 30,-0.3 0.853 104.6 51.4 -56.6 -34.3 -7.4 1.7 48.4 67 92 A G T 3 S+ 0 0 45 27,-0.2 -1,-0.3 26,-0.2 2,-0.1 0.487 78.9 120.6 -83.3 -2.0 -8.4 3.9 51.4 68 93 A R < - 0 0 95 -3,-1.9 26,-1.9 25,-0.1 2,-0.3 -0.427 61.7-130.9 -65.5 131.6 -5.8 2.5 53.8 69 94 A R E -F 93 0C 116 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.647 17.4-158.9 -87.6 139.2 -3.6 5.4 55.1 70 95 A I E -F 92 0C 20 22,-3.1 22,-2.4 -2,-0.3 2,-0.3 -0.970 3.3-156.9-119.8 126.8 0.2 5.0 55.0 71 96 A H + 0 0 130 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.766 19.6 162.3-102.0 147.7 2.5 7.1 57.2 72 97 A Y - 0 0 20 16,-0.4 2,-0.2 -2,-0.3 19,-0.1 -0.901 18.6-141.2-151.3 178.0 6.1 7.9 56.4 73 98 A S >> - 0 0 48 -2,-0.3 3,-2.1 1,-0.0 4,-0.7 -0.760 41.0 -77.6-139.4-176.1 8.8 10.3 57.3 74 99 A Q G >4 S+ 0 0 136 1,-0.3 3,-1.1 -2,-0.2 -1,-0.0 0.851 121.1 66.1 -51.7 -42.1 11.8 12.3 56.2 75 100 A N G 34 S+ 0 0 157 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.729 102.0 49.9 -54.6 -23.9 13.9 9.2 56.1 76 101 A D G <4 S+ 0 0 69 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.701 84.5 106.3 -90.1 -22.9 11.7 7.9 53.3 77 102 A L << + 0 0 41 -3,-1.1 2,-0.2 -4,-0.7 3,-0.1 -0.403 45.0 177.8 -65.0 126.7 11.8 11.0 51.0 78 103 A V - 0 0 42 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.732 43.9 -57.8-120.6 172.6 13.9 10.6 47.9 79 104 A E S S+ 0 0 141 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.189 116.5 18.0 -55.5 138.6 14.6 13.0 45.0 80 105 A Y + 0 0 108 1,-0.1 27,-2.3 27,-0.1 28,-0.3 0.998 67.7 146.7 60.2 81.2 11.5 14.2 43.2 81 106 A S > + 0 0 1 25,-0.2 4,-1.9 26,-0.2 5,-0.2 -0.603 12.3 166.3-140.9 67.6 8.6 13.5 45.5 82 107 A P T 4 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.672 78.5 29.3 -58.9 -26.8 6.3 16.5 44.6 83 108 A V T >> S+ 0 0 31 2,-0.1 3,-1.2 3,-0.1 4,-1.0 0.797 117.5 53.0-104.2 -46.0 3.3 15.1 46.3 84 109 A T T 34 S+ 0 0 0 1,-0.3 3,-0.2 2,-0.2 7,-0.2 0.802 102.3 59.9 -64.0 -28.3 4.7 13.0 49.1 85 110 A E T 3< S+ 0 0 116 -4,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.720 104.6 52.2 -72.9 -17.3 6.8 15.8 50.5 86 111 A K T <4 S+ 0 0 159 -3,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.755 111.1 43.8 -87.1 -28.3 3.6 17.8 51.0 87 112 A H S X S+ 0 0 49 -4,-1.0 4,-3.5 -3,-0.2 -1,-0.2 0.047 71.4 121.3-107.5 25.5 1.7 15.2 53.0 88 113 A L T 4 S+ 0 0 42 -3,-0.3 -16,-0.4 1,-0.2 -1,-0.2 0.898 81.7 42.9 -51.9 -44.5 4.5 14.1 55.3 89 114 A T T 4 S+ 0 0 129 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.888 121.6 38.8 -71.9 -40.3 2.4 15.1 58.3 90 115 A D T 4 S- 0 0 98 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.749 95.9-145.9 -83.3 -24.6 -0.9 13.6 57.0 91 116 A G < - 0 0 1 -4,-3.5 2,-0.3 -7,-0.2 -20,-0.2 -0.303 22.0-105.2 78.5-176.0 0.5 10.5 55.4 92 117 A M E -F 70 0C 3 -22,-2.4 -22,-3.1 -4,-0.1 2,-0.1 -0.993 18.6-112.6-148.4 151.7 -1.4 9.3 52.3 93 118 A T E > -F 69 0C 14 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.440 33.5-111.1 -82.1 160.8 -3.8 6.6 51.3 94 119 A V H > S+ 0 0 0 -26,-1.9 4,-2.5 -29,-0.4 5,-0.2 0.904 122.3 53.4 -54.8 -41.7 -2.8 3.8 48.9 95 120 A R H > S+ 0 0 112 -29,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.919 109.5 46.6 -60.4 -46.0 -5.2 5.4 46.4 96 121 A E H > S+ 0 0 79 -30,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.827 110.0 55.1 -67.4 -31.2 -3.5 8.7 46.7 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 108.5 45.9 -70.1 -43.6 -0.0 7.1 46.4 98 123 A a H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.4 0.924 111.4 52.9 -64.4 -41.5 -0.8 5.4 43.1 99 124 A S H X>S+ 0 0 45 -4,-2.1 4,-2.9 1,-0.2 5,-0.5 0.942 113.0 45.3 -57.0 -45.9 -2.3 8.6 41.8 100 125 A A H X5S+ 0 0 3 -4,-2.0 6,-2.5 3,-0.2 4,-1.3 0.885 114.4 47.3 -64.0 -42.8 0.9 10.4 42.7 101 126 A A H X5S+ 0 0 0 -4,-2.7 4,-0.8 4,-0.3 -2,-0.2 0.954 122.4 34.2 -67.2 -46.8 3.1 7.7 41.3 102 127 A I H <5S+ 0 0 0 -4,-3.3 108,-0.2 -5,-0.2 -2,-0.2 0.962 126.4 34.7 -76.0 -50.6 1.3 7.5 38.0 103 128 A T H <5S+ 0 0 5 -4,-2.9 87,-2.1 -5,-0.4 88,-0.4 0.777 137.0 20.4 -77.7 -25.2 0.1 11.1 37.4 104 129 A M H < - 0 0 0 -6,-2.5 4,-1.5 1,-0.2 -25,-0.2 -0.448 11.6-158.3 -60.9 116.5 6.3 10.7 42.5 107 132 A N H > S+ 0 0 12 -27,-2.3 4,-1.9 -2,-0.4 34,-0.3 0.900 87.8 48.3 -66.7 -44.7 9.3 8.6 43.5 108 133 A T H > S+ 0 0 0 -28,-0.3 4,-2.6 -30,-0.3 -1,-0.2 0.899 107.1 57.9 -63.6 -39.2 8.7 8.3 47.2 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 106.7 49.3 -56.8 -42.4 5.1 7.2 46.5 110 135 A A H X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 -1,-0.2 0.914 110.0 49.4 -65.5 -42.2 6.5 4.4 44.4 111 136 A N H X S+ 0 0 22 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.881 110.9 50.8 -63.9 -37.6 8.9 3.2 47.1 112 137 A L H X S+ 0 0 17 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.951 114.4 42.7 -63.9 -49.5 6.1 3.3 49.7 113 138 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 6,-0.3 0.902 108.8 59.7 -62.9 -42.1 3.8 1.2 47.4 114 139 A L H X>S+ 0 0 0 -4,-3.2 5,-3.5 1,-0.2 4,-0.6 0.925 105.5 50.1 -52.3 -43.3 6.7 -1.1 46.5 115 140 A T H ><5S+ 0 0 95 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.922 104.3 56.8 -63.0 -43.6 7.1 -1.9 50.2 116 141 A T H 3<5S+ 0 0 23 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.787 111.6 42.7 -60.8 -26.6 3.4 -2.7 50.7 117 142 A I H 3<5S- 0 0 18 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.483 127.8 -89.1-100.4 -0.5 3.5 -5.4 48.0 118 143 A G T >< - 0 0 3 -5,-3.5 4,-1.7 -6,-0.3 3,-1.3 -0.010 68.5 -33.3 75.1-177.9 9.2 -4.9 46.9 120 145 A P H 3> S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 17,-0.5 0.837 133.1 58.8 -43.1 -43.8 10.9 -5.4 43.4 121 146 A K H 3> S+ 0 0 158 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.866 108.3 43.5 -59.1 -39.3 11.0 -9.1 43.9 122 147 A E H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.6 0.941 112.1 48.2 -64.8 -48.1 4.6 -10.1 36.3 128 153 A H H ><5S+ 0 0 97 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.926 109.5 54.8 -59.1 -43.4 6.0 -13.6 35.7 129 154 A N H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 106.4 50.2 -62.5 -27.9 2.8 -15.0 37.0 130 155 A M T <<5S- 0 0 24 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.378 132.1 -89.9 -92.6 6.8 0.6 -13.0 34.6 131 156 A G T < 5S+ 0 0 45 -3,-1.7 2,-0.9 -4,-0.3 -3,-0.2 0.539 89.0 123.7 103.8 4.8 2.8 -14.2 31.7 132 157 A D < + 0 0 6 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.850 28.0 172.2 -98.4 102.9 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 0.423 71.6 41.5 -93.6 5.9 8.7 -13.7 31.7 134 159 A V S S+ 0 0 38 -7,-0.1 2,-0.2 23,-0.1 21,-0.2 0.723 83.3 94.8-118.0 -36.0 11.1 -11.0 30.8 135 160 A T + 0 0 3 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.424 53.7 175.8 -64.3 129.4 10.1 -7.7 32.6 136 161 A R - 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