==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAR-08 3CMZ . COMPND 2 MOLECULE: BETA-LACTAMASE TEM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.C.MARCIANO,X.WANG,J.WANG,Y.CHEN,V.L.THOMAS,B.K.SHOICHET, . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11082.0 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.3 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 . 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 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 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,-1.8 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 142.2 17.4 28.6 8.9 2 27 A P H 3> + 0 0 77 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.763 360.0 74.1 -65.8 -16.2 13.7 28.8 7.8 3 28 A E H 3> S+ 0 0 99 1,-0.2 4,-1.0 2,-0.2 256,-0.1 0.871 93.6 54.2 -59.0 -31.6 13.8 25.0 7.3 4 29 A T H <> S+ 0 0 0 -3,-1.8 4,-1.7 1,-0.2 3,-0.2 0.860 101.0 58.1 -70.3 -31.6 13.8 24.8 11.1 5 30 A L H X S+ 0 0 38 -4,-0.7 4,-2.9 1,-0.3 5,-0.3 0.872 97.1 62.4 -67.1 -35.9 10.6 27.0 11.2 6 31 A V H X S+ 0 0 81 -4,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.931 106.0 45.6 -47.2 -48.7 9.0 24.3 9.0 7 32 A K H X S+ 0 0 75 -4,-1.0 4,-2.6 -3,-0.2 -2,-0.2 0.851 110.5 52.7 -68.2 -34.9 9.5 21.9 11.9 8 33 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.942 111.8 45.3 -65.0 -46.4 8.3 24.4 14.5 9 34 A K H X S+ 0 0 103 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.900 111.0 54.4 -64.5 -40.4 5.1 24.9 12.5 10 35 A D H X S+ 0 0 62 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.928 107.5 50.8 -55.1 -46.9 4.9 21.1 12.1 11 36 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 6,-0.3 0.931 108.0 52.4 -59.2 -44.7 5.1 20.8 15.9 12 37 A E H X>S+ 0 0 26 -4,-2.3 4,-1.3 1,-0.2 5,-1.2 0.906 113.0 44.1 -55.5 -46.0 2.3 23.4 16.2 13 38 A D H <5S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.862 117.4 45.5 -65.4 -41.7 0.0 21.3 13.8 14 39 A Q H <5S+ 0 0 111 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.809 119.9 38.3 -72.2 -34.5 0.9 18.0 15.5 15 40 A L H <5S- 0 0 10 -4,-2.6 227,-0.6 2,-0.2 228,-0.5 0.585 94.7-131.9 -95.8 -15.2 0.5 19.2 19.1 16 41 A G T <5S+ 0 0 66 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.863 74.9 104.8 62.6 36.1 -2.6 21.5 18.7 17 42 A A S -A 232 0A 46 5,-3.2 4,-2.4 -2,-0.4 207,-0.2 -0.675 22.6-150.7 -74.8 121.2 24.1 33.5 18.1 26 51 A L T 4 S+ 0 0 13 205,-2.2 206,-0.2 -2,-0.5 -1,-0.2 0.878 91.0 43.4 -63.5 -40.7 26.0 33.2 21.4 27 52 A N T 4 S+ 0 0 145 204,-0.6 -1,-0.2 1,-0.1 205,-0.1 0.975 128.7 23.7 -68.7 -58.8 28.8 35.5 20.4 28 53 A S T 4 S- 0 0 70 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.748 92.9-133.6 -81.4 -25.9 26.9 38.4 18.6 29 54 A G < + 0 0 19 -4,-2.4 2,-0.3 1,-0.3 -3,-0.1 0.564 51.5 152.9 77.5 10.4 23.6 37.8 20.4 30 55 A K - 0 0 137 -5,-0.1 -5,-3.2 1,-0.1 2,-0.7 -0.550 51.3-120.8 -75.0 133.0 21.8 38.1 17.0 31 56 A I E -B 24 0A 61 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.673 29.5-174.8 -70.4 114.7 18.5 36.2 16.8 32 57 A L E - 0 0 59 -9,-3.2 2,-0.3 -2,-0.7 -8,-0.2 0.878 66.0 -0.9 -79.8 -40.9 19.1 33.8 13.9 33 58 A E E -B 23 0A 40 -10,-1.5 -10,-2.3 -29,-0.0 2,-0.3 -0.983 68.4-176.3-151.6 152.9 15.6 32.4 13.8 34 59 A S E -B 22 0A 42 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.997 18.7-176.3-159.3 148.8 12.3 32.9 15.6 35 60 A F E S-B 21 0A 48 -14,-2.1 -14,-2.9 -2,-0.3 -2,-0.0 -0.931 87.8 -12.1-147.4 120.0 8.7 31.8 16.1 36 61 A R S > S+ 0 0 73 -2,-0.3 3,-1.3 -16,-0.2 123,-0.1 0.901 78.0 168.1 49.8 51.3 6.5 33.7 18.5 37 62 A P T 3 S+ 0 0 37 0, 0.0 122,-2.1 0, 0.0 123,-0.5 0.749 72.7 39.6 -65.3 -26.9 9.5 35.5 20.1 38 63 A E T 3 S+ 0 0 156 120,-0.1 2,-0.3 119,-0.1 -2,-0.1 0.052 91.2 107.1-114.4 24.7 7.5 38.0 22.0 39 64 A E S < S- 0 0 63 -3,-1.3 2,-0.3 1,-0.0 120,-0.1 -0.782 72.7-110.7 -96.7 148.3 4.7 35.7 23.2 40 65 A R + 0 0 55 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.610 37.2 174.2 -84.4 137.6 4.5 34.6 26.8 41 66 A F E -E 156 0B 0 115,-2.8 115,-2.5 -2,-0.3 2,-0.2 -0.982 38.5-101.6-133.2 146.3 5.1 31.0 27.8 42 67 A P E -E 155 0B 12 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.484 25.1-150.0 -63.6 135.2 5.4 29.3 31.3 43 68 A M > + 0 0 2 111,-2.1 3,-1.9 -2,-0.2 112,-0.1 0.821 25.4 177.7 -74.4 -34.5 9.0 28.8 32.2 44 69 A M G > S- 0 0 0 110,-0.5 3,-1.6 100,-0.4 -1,-0.1 -0.318 71.6 -16.1 55.7-144.3 8.4 25.7 34.3 45 70 A S G > S+ 0 0 8 1,-0.3 3,-1.7 167,-0.3 4,-0.3 0.522 121.3 85.8 -68.5 -5.3 11.7 24.3 35.6 46 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.0 1,-0.3 4,-0.6 0.761 77.8 70.1 -65.1 -23.7 13.7 26.4 33.1 47 72 A F H <> S+ 0 0 0 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.686 78.7 77.6 -60.0 -22.2 13.5 29.1 35.7 48 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.775 88.0 57.2 -68.2 -25.7 16.0 27.1 37.9 49 74 A V H <> S+ 0 0 0 -3,-1.0 4,-1.7 -4,-0.3 -1,-0.2 0.937 109.9 44.5 -62.8 -45.2 18.9 28.3 35.7 50 75 A L H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.870 111.1 54.7 -67.0 -39.6 17.9 31.9 36.4 51 76 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.944 110.3 44.8 -54.3 -52.9 17.5 31.1 40.1 52 77 A a H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.786 108.9 57.2 -71.4 -23.1 21.0 29.7 40.3 53 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.922 107.9 47.7 -65.7 -45.5 22.3 32.7 38.4 54 79 A A H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.884 111.6 50.8 -59.6 -41.7 20.8 34.9 41.0 55 80 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 3,-0.4 0.961 112.3 46.5 -59.2 -50.7 22.4 32.7 43.7 56 81 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.3 -2,-0.2 0.803 106.0 58.7 -65.0 -32.3 25.8 32.9 42.0 57 82 A S H X S+ 0 0 37 -4,-2.2 4,-1.6 2,-0.2 -1,-0.3 0.893 109.0 45.7 -60.5 -40.8 25.5 36.6 41.6 58 83 A R H <>S+ 0 0 59 -4,-1.6 5,-2.4 -3,-0.4 6,-1.0 0.885 110.4 52.7 -67.6 -41.3 25.2 36.7 45.4 59 84 A V H ><5S+ 0 0 32 -4,-2.2 3,-1.5 4,-0.2 -2,-0.2 0.947 108.2 52.1 -57.3 -49.9 28.1 34.4 45.8 60 85 A D H 3<5S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.882 110.7 47.9 -52.3 -42.5 30.2 36.7 43.5 61 86 A A T 3<5S- 0 0 70 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.407 117.3-109.4 -87.3 4.1 29.2 39.7 45.7 62 87 A G T < 5S+ 0 0 53 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.545 91.5 109.7 85.9 8.7 30.1 38.0 49.1 63 88 A Q S - 0 0 102 -2,-0.3 3,-2.1 1,-0.1 29,-0.4 -0.991 13.8-143.8-122.7 129.0 28.6 31.0 50.1 66 91 A L T 3 S+ 0 0 22 -2,-0.4 29,-3.0 1,-0.3 30,-0.3 0.808 103.9 55.1 -55.4 -28.0 28.3 27.9 47.9 67 92 A G T 3 S+ 0 0 46 27,-0.2 2,-0.3 26,-0.2 -1,-0.3 0.402 77.6 120.9 -89.2 2.6 29.4 25.9 50.9 68 93 A R < - 0 0 97 -3,-2.1 26,-1.6 1,-0.1 2,-0.4 -0.515 62.0-129.7 -74.3 127.4 26.7 27.2 53.3 69 94 A R E -F 93 0C 112 -2,-0.3 2,-0.5 24,-0.2 24,-0.3 -0.648 17.9-157.6 -82.1 129.1 24.5 24.4 54.7 70 95 A I E -F 92 0C 17 22,-3.5 22,-2.1 -2,-0.4 2,-0.3 -0.901 6.3-153.4-103.6 131.4 20.8 24.8 54.5 71 96 A H + 0 0 138 -2,-0.5 2,-0.3 20,-0.2 18,-0.1 -0.769 21.3 160.5-104.0 150.6 18.5 22.9 56.8 72 97 A Y - 0 0 19 16,-0.5 2,-0.2 -2,-0.3 19,-0.1 -0.952 20.0-141.1-158.2 172.5 14.9 22.0 56.1 73 98 A S >> - 0 0 46 -2,-0.3 3,-2.2 16,-0.0 4,-0.8 -0.783 43.0 -83.2-134.6 177.8 12.2 19.6 57.2 74 99 A Q T 34 S+ 0 0 142 1,-0.3 3,-0.3 -2,-0.2 11,-0.0 0.765 122.4 67.7 -52.4 -26.2 9.4 17.4 56.0 75 100 A N T 34 S+ 0 0 158 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.810 101.6 47.6 -64.3 -28.6 7.3 20.7 56.0 76 101 A D T <4 S+ 0 0 66 -3,-2.2 2,-0.3 2,-0.1 -1,-0.2 0.687 85.1 107.0 -86.2 -25.2 9.4 22.0 53.1 77 102 A L < - 0 0 37 -4,-0.8 2,-0.2 -3,-0.3 3,-0.1 -0.409 46.0-179.4 -66.7 122.7 9.3 18.9 50.9 78 103 A V - 0 0 43 -2,-0.3 30,-0.3 1,-0.2 29,-0.1 -0.593 41.6 -56.8-107.7 177.5 7.2 19.3 47.8 79 104 A E S S+ 0 0 129 -2,-0.2 28,-0.2 1,-0.2 -1,-0.2 -0.222 116.4 18.8 -52.8 142.5 6.3 17.0 44.9 80 105 A Y S S+ 0 0 115 1,-0.1 27,-2.4 27,-0.1 28,-0.2 0.991 71.4 145.8 50.4 77.3 9.3 15.6 42.9 81 106 A S > + 0 0 3 25,-0.2 4,-2.2 26,-0.2 5,-0.2 -0.487 7.4 159.3-131.6 66.4 12.2 16.1 45.3 82 107 A P T 4 S+ 0 0 31 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.826 77.9 34.7 -61.0 -38.1 14.5 13.1 44.6 83 108 A V T >> S+ 0 0 33 2,-0.2 3,-1.2 1,-0.1 4,-0.9 0.954 119.5 46.1 -82.7 -55.9 17.7 14.7 46.0 84 109 A T T 34 S+ 0 0 0 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.824 104.3 62.5 -56.9 -34.5 16.3 16.7 48.9 85 110 A E T 3< S+ 0 0 122 -4,-2.2 3,-0.5 1,-0.2 -1,-0.3 0.838 103.8 51.6 -64.5 -28.5 14.1 13.9 50.1 86 111 A K T <4 S+ 0 0 159 -3,-1.2 3,-0.3 -4,-0.4 -1,-0.2 0.792 112.6 43.3 -69.9 -32.7 17.4 11.9 50.7 87 112 A H S >X S+ 0 0 52 -4,-0.9 4,-2.7 -3,-0.5 3,-0.6 0.150 70.0 119.8-112.3 22.2 19.1 14.7 52.8 88 113 A L T 34 S+ 0 0 45 -3,-0.5 -16,-0.5 -4,-0.4 -1,-0.2 0.862 85.3 40.8 -44.5 -46.6 16.3 15.8 55.0 89 114 A T T 34 S+ 0 0 136 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.700 123.0 38.7 -83.0 -22.7 18.4 14.9 58.1 90 115 A D T <4 S- 0 0 95 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.653 95.7-145.1 -96.5 -24.0 21.7 16.2 56.8 91 116 A G < - 0 0 2 -4,-2.7 2,-0.3 -7,-0.2 -20,-0.2 -0.068 17.9-105.6 60.9-179.8 20.6 19.3 55.0 92 117 A M E -F 70 0C 2 -22,-2.1 -22,-3.5 -4,-0.1 2,-0.1 -0.981 19.0-116.4-141.7 148.8 22.4 20.4 51.8 93 118 A T E > -F 69 0C 12 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.446 35.3-107.6 -81.0 161.7 24.8 23.2 50.9 94 119 A V H > S+ 0 0 0 -26,-1.6 4,-2.2 -29,-0.4 5,-0.2 0.884 122.4 53.7 -55.4 -43.2 23.9 25.9 48.5 95 120 A R H > S+ 0 0 110 -29,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.945 109.1 47.0 -52.7 -55.2 26.1 24.2 45.9 96 121 A E H > S+ 0 0 87 -30,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.812 110.3 54.1 -61.7 -34.6 24.4 20.9 46.3 97 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.885 109.5 45.8 -68.9 -40.1 21.0 22.5 46.1 98 123 A a H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.916 112.0 52.0 -67.8 -42.6 21.7 24.2 42.8 99 124 A S H X>S+ 0 0 43 -4,-2.5 4,-3.3 1,-0.2 5,-0.7 0.971 114.0 44.3 -52.4 -52.5 23.2 21.0 41.4 100 125 A A H X5S+ 0 0 2 -4,-2.6 6,-2.3 1,-0.2 4,-0.7 0.860 114.1 48.7 -60.0 -43.8 20.0 19.2 42.4 101 126 A A H X5S+ 0 0 0 -4,-2.5 4,-0.5 4,-0.3 -1,-0.2 0.923 123.1 32.9 -60.2 -45.3 17.7 22.0 41.1 102 127 A I H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.955 128.0 32.9 -84.1 -51.0 19.5 22.1 37.8 103 128 A T H <5S+ 0 0 14 -4,-3.3 87,-1.5 -5,-0.3 88,-0.4 0.909 136.0 24.7 -76.2 -41.7 20.6 18.5 37.1 104 129 A M H < - 0 0 0 -6,-2.3 4,-1.8 1,-0.2 -25,-0.2 -0.464 15.7-159.6 -70.9 117.5 14.5 19.1 42.3 107 132 A N H > S+ 0 0 11 -27,-2.4 4,-2.3 -2,-0.4 34,-0.3 0.916 88.0 47.4 -67.2 -48.1 11.5 21.1 43.3 108 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.9 -28,-0.2 5,-0.2 0.903 109.1 55.9 -61.2 -43.8 12.2 21.5 47.0 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 108.2 48.6 -53.3 -44.7 15.8 22.5 46.3 110 135 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.929 110.9 50.5 -64.1 -42.1 14.5 25.3 44.1 111 136 A N H X S+ 0 0 21 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.918 110.9 48.6 -60.2 -45.5 12.1 26.4 46.8 112 137 A L H X S+ 0 0 15 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.890 112.9 47.7 -60.6 -44.1 15.0 26.4 49.4 113 138 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.895 107.0 56.8 -64.0 -41.2 17.2 28.4 47.0 114 139 A L H X>S+ 0 0 0 -4,-2.7 5,-3.6 1,-0.2 4,-0.7 0.895 105.0 53.4 -55.5 -41.2 14.3 30.9 46.3 115 140 A T H ><5S+ 0 0 93 -4,-1.8 3,-0.6 3,-0.2 -1,-0.2 0.874 103.5 55.5 -60.7 -42.6 14.1 31.6 50.0 116 141 A T H 3<5S+ 0 0 26 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.841 112.1 42.8 -62.5 -32.9 17.8 32.4 50.3 117 142 A I H 3<5S- 0 0 15 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.523 127.0 -90.8 -95.2 -6.0 17.6 35.1 47.6 118 143 A G T > S+ 0 0 7 0, 0.0 4,-2.7 0, 0.0 17,-0.4 0.818 132.7 62.6 -51.3 -34.2 10.2 35.1 43.3 121 146 A K H 3> S+ 0 0 163 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.902 107.9 41.4 -59.5 -42.3 10.0 39.0 43.8 122 147 A E H S+ 0 0 1 -4,-2.4 5,-2.7 2,-0.2 4,-0.4 0.909 112.3 50.3 -62.4 -45.6 16.3 39.7 36.1 128 153 A H H ><5S+ 0 0 99 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.943 109.6 52.4 -56.7 -47.5 14.9 43.2 35.6 129 154 A N H 3<5S+ 0 0 148 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 105.2 54.4 -58.6 -32.0 18.3 44.6 36.8 130 155 A M T 3<5S- 0 0 18 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.469 131.0 -92.4 -86.1 -0.9 20.2 42.4 34.3 131 156 A G T < 5S+ 0 0 39 -3,-1.7 2,-0.7 -4,-0.4 -3,-0.2 0.625 88.7 125.1 102.1 16.2 18.1 43.8 31.4 132 157 A D < + 0 0 7 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.2 -0.895 26.2 170.1-105.6 103.4 15.2 41.3 31.2 133 158 A H S S+ 0 0 125 -2,-0.7 -1,-0.1 1,-0.1 -5,-0.1 0.394 71.2 43.5 -97.3 -0.5 12.0 43.3 31.6 134 159 A V S S+ 0 0 41 -7,-0.1 21,-0.2 23,-0.1 2,-0.2 0.710 84.0 95.9-114.3 -34.9 9.5 40.6 30.7 135 160 A T + 0 0 3 -8,-0.1 2,-0.4 22,-0.1 21,-0.2 -0.410 53.2 175.5 -64.7 128.9 10.6 37.5 32.6 136 161 A R - 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