==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-APR-13 4K0X . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR N.V.KLINGER,M.E.RAMEY,D.A.LEONARD,R.A.POWERS . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.8 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 . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 1 0 0 1 0 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 31 A Q 0 0 124 0, 0.0 30,-1.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 166.4 24.1 -17.0 9.1 2 32 A I E +a 31 0A 80 28,-0.1 2,-0.3 30,-0.0 30,-0.2 -0.977 360.0 164.7-117.7 110.1 22.5 -16.0 12.4 3 33 A V E -a 32 0A 73 28,-2.1 30,-2.2 -2,-0.5 2,-0.2 -0.947 43.2 -99.5-124.7 153.7 23.8 -18.1 15.4 4 34 A Q E -a 33 0A 113 -2,-0.3 30,-0.2 28,-0.3 3,-0.0 -0.505 43.3-147.2 -64.6 131.2 23.8 -18.1 19.2 5 35 A G - 0 0 13 28,-2.0 2,-0.9 -2,-0.2 -1,-0.1 -0.114 36.5 -64.2 -78.8-169.8 27.2 -16.8 20.4 6 36 A H S S+ 0 0 172 1,-0.1 4,-0.1 28,-0.0 -1,-0.1 -0.702 76.3 133.4 -75.3 108.3 29.0 -17.8 23.6 7 37 A N > + 0 0 24 -2,-0.9 4,-2.2 2,-0.1 28,-0.4 0.125 18.5 135.0-170.8 83.2 27.1 -16.8 26.6 8 38 A Q H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.895 93.4 56.9 -60.4 -37.5 26.0 -18.4 29.8 9 39 A V H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 108.9 41.8 -66.3 -46.4 27.1 -15.1 31.4 10 40 A I H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.905 111.1 56.4 -71.5 -33.7 24.8 -12.9 29.3 11 41 A H H X S+ 0 0 69 -4,-2.2 4,-1.9 24,-0.2 3,-0.3 0.944 108.8 49.0 -56.2 -45.4 21.9 -15.4 29.6 12 42 A Q H X S+ 0 0 38 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.897 102.3 61.6 -67.6 -37.4 22.4 -15.0 33.4 13 43 A Y H X S+ 0 0 40 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.908 109.1 41.7 -50.8 -47.5 22.4 -11.2 33.2 14 44 A F H ><>S+ 0 0 0 -4,-1.7 5,-1.3 -3,-0.3 3,-0.7 0.862 111.5 54.8 -70.1 -42.1 18.8 -11.2 31.8 15 45 A D H ><5S+ 0 0 84 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.909 100.9 60.2 -55.6 -41.4 17.6 -13.9 34.2 16 46 A E H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.746 104.0 50.7 -62.9 -22.5 18.8 -11.8 37.1 17 47 A K T <<5S- 0 0 61 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.422 110.3-125.8 -91.0 0.9 16.4 -9.0 36.0 18 48 A N T < 5S+ 0 0 123 -3,-2.1 2,-0.3 -4,-0.2 -3,-0.2 0.894 72.4 98.3 55.9 46.7 13.5 -11.5 35.8 19 49 A T S + 0 0 17 -16,-1.9 3,-1.9 -3,-0.2 4,-0.3 -0.598 60.3 169.5-146.0 69.9 14.9 -15.3 25.0 38 68 A L G > + 0 0 48 1,-0.3 3,-1.6 -3,-0.2 4,-0.3 0.737 69.1 72.5 -64.5 -19.5 16.7 -15.8 21.6 39 69 A S G > S+ 0 0 94 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.711 81.7 74.0 -68.5 -14.7 13.4 -16.1 19.7 40 70 A R G X S+ 0 0 22 -3,-1.9 3,-1.7 1,-0.2 -1,-0.3 0.783 79.6 74.5 -64.4 -27.6 12.8 -12.4 20.3 41 71 A A G < S+ 0 0 1 -3,-1.6 104,-2.1 1,-0.3 105,-0.3 0.844 105.1 33.6 -57.5 -34.1 15.5 -11.7 17.6 42 72 A N G < S+ 0 0 126 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.3 0.156 99.4 102.5-107.2 17.2 13.2 -12.7 14.8 43 73 A T S < S- 0 0 56 -3,-1.7 2,-0.3 -4,-0.1 102,-0.1 -0.830 71.4-123.2-100.5 138.5 10.0 -11.4 16.4 44 74 A E + 0 0 82 -2,-0.4 2,-0.3 99,-0.2 99,-0.3 -0.649 35.3 169.2 -81.1 138.0 8.4 -8.0 15.3 45 75 A Y B -G 142 0B 41 97,-2.4 97,-2.5 -2,-0.3 93,-0.0 -0.962 44.8 -88.2-136.2 158.9 7.9 -5.3 17.9 46 76 A V - 0 0 7 -2,-0.3 95,-0.2 95,-0.3 144,-0.2 -0.422 35.9-136.8 -60.8 143.3 7.0 -1.6 17.8 47 77 A P > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 89,-0.1 0.713 29.8-173.5 -79.6 -18.3 10.2 0.3 17.4 48 78 A A G > - 0 0 0 87,-2.5 3,-2.3 1,-0.2 4,-0.2 -0.271 68.7 -12.1 49.9-144.8 9.2 3.0 19.9 49 79 A S G > S+ 0 0 13 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.566 119.7 83.3 -70.9 -6.7 11.8 5.9 20.0 50 80 A T G X S+ 0 0 2 -3,-1.6 3,-1.5 1,-0.2 4,-0.5 0.823 80.5 69.5 -57.5 -23.3 14.4 3.9 18.0 51 81 A F G X> S+ 0 0 0 -3,-2.3 4,-2.9 1,-0.3 3,-0.5 0.724 75.7 81.9 -70.6 -16.0 12.4 5.2 15.1 52 82 A X H <> S+ 0 0 1 -3,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.843 84.6 61.2 -53.6 -33.5 13.7 8.7 15.8 53 83 A M H <> S+ 0 0 1 -3,-1.5 4,-1.7 -4,-0.3 -1,-0.2 0.936 111.2 36.9 -59.8 -47.1 16.9 7.7 13.9 54 84 A L H <> S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.5 5,-0.2 0.885 113.5 56.6 -75.4 -39.0 14.8 7.1 10.7 55 85 A N H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.944 110.1 47.0 -50.7 -49.7 12.5 10.1 11.4 56 86 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.905 110.9 50.4 -61.0 -45.7 15.6 12.4 11.6 57 87 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.946 115.1 43.9 -58.8 -44.1 17.1 10.9 8.4 58 88 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 6,-0.2 0.932 114.8 48.5 -69.8 -40.1 13.8 11.4 6.5 59 89 A G H <>S+ 0 0 0 -4,-2.9 5,-2.5 -5,-0.2 6,-0.9 0.892 117.0 41.2 -67.3 -45.5 13.3 14.9 7.9 60 90 A L H ><5S+ 0 0 17 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 0.907 112.7 53.8 -69.6 -48.9 16.8 16.1 7.1 61 91 A E H 3<5S+ 0 0 67 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.893 113.1 43.6 -48.8 -39.6 16.9 14.4 3.7 62 92 A N T 3<5S- 0 0 53 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.200 113.0-117.9 -99.3 10.9 13.7 16.1 2.6 63 93 A Q T < 5S+ 0 0 174 -3,-1.4 -3,-0.2 1,-0.1 -4,-0.1 0.775 73.3 133.7 56.9 38.7 14.7 19.5 4.0 64 94 A K S - 0 0 80 -2,-0.3 3,-1.2 -3,-0.1 23,-0.4 -0.926 35.5-100.6-157.7 161.9 18.1 21.1 9.6 67 97 A I T 3 S+ 0 0 68 -2,-0.3 23,-0.3 1,-0.2 22,-0.1 0.648 119.3 51.9 -69.0 -9.8 20.5 20.4 12.4 68 98 A N T 3 S+ 0 0 125 20,-0.1 -1,-0.2 21,-0.1 2,-0.0 0.534 79.2 118.7 -98.3 -13.0 20.5 24.1 13.4 69 99 A E < - 0 0 47 -3,-1.2 2,-0.7 1,-0.1 20,-0.4 -0.325 56.1-143.7 -60.6 134.6 16.8 24.6 13.8 70 100 A I - 0 0 99 18,-0.1 2,-0.4 19,-0.1 18,-0.2 -0.896 11.3-147.1 -99.1 112.9 15.5 25.5 17.2 71 101 A F B -H 87 0C 4 16,-3.1 16,-1.9 -2,-0.7 2,-0.4 -0.717 21.1-126.8 -79.8 131.3 12.2 23.9 17.9 72 102 A K - 0 0 152 -2,-0.4 2,-0.7 14,-0.2 14,-0.1 -0.622 3.9-138.9 -86.8 128.1 10.1 26.2 20.1 73 103 A W - 0 0 75 -2,-0.4 13,-0.1 1,-0.1 11,-0.1 -0.766 13.5-159.3 -76.6 114.2 8.5 25.0 23.3 74 104 A K - 0 0 95 -2,-0.7 -1,-0.1 11,-0.1 10,-0.0 0.364 46.7 -99.1 -83.9 6.4 5.1 26.6 23.2 75 105 A G S S+ 0 0 45 1,-0.3 3,-0.1 10,-0.0 -2,-0.1 0.311 74.1 140.4 104.3 -7.9 4.7 26.3 26.9 76 106 A E - 0 0 67 1,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.236 61.7 -92.7 -63.7 152.4 2.5 23.1 27.3 77 107 A K - 0 0 101 2,-0.0 2,-0.4 7,-0.0 -1,-0.1 -0.447 45.6-161.7 -60.3 138.2 3.1 20.6 30.0 78 108 A R - 0 0 44 -2,-0.1 5,-0.1 -3,-0.1 6,-0.1 -0.986 31.5-110.3-131.0 144.2 5.4 17.7 28.9 79 109 A S S S+ 0 0 108 -2,-0.4 2,-0.4 4,-0.1 -1,-0.1 0.741 106.6 39.2 -40.8 -40.1 6.0 14.2 30.3 80 110 A F S > S- 0 0 115 1,-0.1 3,-1.5 -3,-0.0 4,-0.3 -0.957 72.3-140.9-116.9 138.4 9.5 15.3 31.5 81 111 A T G > S+ 0 0 118 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.814 103.9 66.5 -56.9 -32.2 10.5 18.6 33.0 82 112 A A G 3 S+ 0 0 51 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.698 96.4 55.9 -63.7 -20.1 13.7 18.2 30.9 83 113 A W G < S+ 0 0 22 -3,-1.5 2,-1.9 1,-0.1 -1,-0.3 0.493 77.5 96.0 -87.3 -14.9 11.6 18.6 27.7 84 114 A E S < S+ 0 0 67 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.1 -0.507 72.9 75.7 -83.0 68.2 10.1 21.9 28.5 85 115 A K S S- 0 0 94 -2,-1.9 2,-0.2 -14,-0.1 -11,-0.1 -0.971 89.1 -86.0-162.2 162.7 12.6 24.1 26.6 86 116 A D + 0 0 94 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.584 59.3 163.4 -70.3 144.0 13.5 25.2 23.1 87 117 A M B -H 71 0C 1 -16,-1.9 -16,-3.1 -2,-0.2 2,-0.1 -0.995 35.5-110.1-160.1 164.1 15.9 22.6 21.5 88 118 A T > - 0 0 25 -2,-0.3 4,-2.2 -18,-0.2 5,-0.2 -0.395 40.6-102.8 -89.5 170.7 17.5 21.3 18.3 89 119 A L H > S+ 0 0 0 -20,-0.4 4,-1.4 -23,-0.4 5,-0.1 0.895 123.8 50.5 -58.4 -42.4 16.7 17.9 16.6 90 120 A G H > S+ 0 0 18 -23,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.924 109.7 48.9 -66.4 -41.2 20.0 16.6 18.0 91 121 A E H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 110.8 51.3 -57.8 -43.5 19.2 17.7 21.6 92 122 A A H X>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 4,-0.6 0.768 104.3 58.7 -72.2 -24.9 15.7 16.1 21.3 93 123 A M H ><5S+ 0 0 2 -4,-1.4 3,-0.8 3,-0.2 -1,-0.2 0.958 107.3 45.7 -64.5 -44.9 17.3 12.9 20.1 94 124 A K H 3<5S+ 0 0 177 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.866 118.8 41.4 -71.9 -33.8 19.4 12.6 23.3 95 125 A L H 3<5S- 0 0 45 -4,-1.8 -1,-0.3 -5,-0.1 3,-0.2 0.496 103.9-129.3 -87.5 -6.5 16.4 13.4 25.5 96 126 A S T <<5 - 0 0 19 -3,-0.8 2,-1.7 -4,-0.6 -3,-0.2 0.875 36.8-175.5 51.0 45.3 14.1 11.3 23.4 97 127 A A >>< - 0 0 0 -5,-2.2 3,-1.3 1,-0.2 4,-1.3 -0.464 9.3-170.1 -77.6 85.8 11.8 14.3 23.3 98 128 A V H 3> S+ 0 0 26 -2,-1.7 4,-3.0 1,-0.3 5,-0.3 0.825 76.1 64.3 -48.0 -39.0 8.8 12.9 21.4 99 129 A P H 3> S+ 0 0 29 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.864 102.7 49.1 -57.6 -38.9 7.0 16.3 20.9 100 130 A V H <> S+ 0 0 3 -3,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.916 113.6 46.4 -63.2 -46.0 9.8 17.6 18.6 101 131 A Y H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.853 110.2 53.3 -72.5 -25.9 9.8 14.4 16.6 102 132 A Q H X S+ 0 0 43 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.920 108.2 50.2 -66.7 -39.9 6.0 14.5 16.4 103 133 A E H X S+ 0 0 67 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.945 112.5 48.2 -62.8 -42.0 6.2 18.0 15.0 104 134 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.917 108.3 53.3 -63.1 -46.0 8.8 16.8 12.5 105 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.913 107.2 52.6 -56.0 -40.8 6.7 13.8 11.5 106 136 A R H < S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 108.2 51.1 -64.7 -37.7 3.7 16.1 10.8 107 137 A R H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 110.0 48.5 -62.2 -43.2 6.0 18.2 8.6 108 138 A I H < S- 0 0 9 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.950 107.1-149.0 -59.5 -49.8 7.0 15.2 6.7 109 139 A G X - 0 0 21 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.178 24.2 -82.4 92.0 149.1 3.4 14.2 6.3 110 140 A L H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 123.9 50.7 -51.2 -44.9 1.8 10.7 6.1 111 141 A D H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 113.5 41.0 -67.5 -45.6 2.4 10.3 2.4 112 142 A L H > S+ 0 0 29 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.890 115.5 53.4 -67.7 -36.4 6.2 11.1 2.3 113 143 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.944 110.9 44.9 -66.3 -43.8 6.7 9.2 5.5 114 144 A Q H X S+ 0 0 45 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.904 112.8 51.9 -68.9 -35.9 5.1 6.0 4.2 115 145 A K H X S+ 0 0 139 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.940 113.3 44.3 -63.3 -42.3 7.0 6.4 0.9 116 146 A E H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.904 111.8 51.2 -71.8 -43.1 10.3 6.7 2.6 117 147 A V H X>S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 5,-1.6 0.890 113.1 46.8 -63.5 -37.5 9.7 3.9 5.1 118 148 A K H <5S+ 0 0 160 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.908 110.8 52.4 -66.6 -38.7 8.7 1.6 2.2 119 149 A R H <5S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.939 115.1 40.9 -65.0 -39.9 11.9 2.8 0.2 120 150 A I H <5S- 0 0 31 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.822 103.1-137.0 -75.4 -31.6 14.1 1.9 3.2 121 151 A G T <5 - 0 0 44 -4,-1.8 2,-0.6 -5,-0.3 -3,-0.2 0.883 31.3-176.9 74.1 41.5 12.1 -1.3 3.9 122 152 A F > < - 0 0 8 -5,-1.6 3,-2.0 2,-0.1 -1,-0.2 -0.616 50.7 -54.4 -82.3 113.2 12.1 -0.7 7.7 123 153 A G T 3 S- 0 0 13 -2,-0.6 19,-0.3 1,-0.3 17,-0.1 -0.316 120.8 -17.7 60.2-139.0 10.4 -3.7 9.5 124 154 A N T 3 S- 0 0 59 17,-2.8 -1,-0.3 2,-0.1 18,-0.1 0.534 85.8-138.1 -74.3 -6.1 6.9 -4.3 8.2 125 155 A A < + 0 0 19 -3,-2.0 2,-0.5 16,-0.4 -2,-0.1 0.687 55.7 136.9 56.4 25.9 7.1 -0.9 6.6 126 156 A E + 0 0 89 15,-0.2 -1,-0.2 13,-0.2 -2,-0.1 -0.884 23.1 167.7-104.7 120.6 3.4 -0.1 7.6 127 157 A I > - 0 0 0 -2,-0.5 3,-0.6 1,-0.2 13,-0.2 0.569 25.8-156.7-107.9 -7.0 2.7 3.3 9.1 128 158 A G T 3 - 0 0 18 1,-0.2 -1,-0.2 11,-0.1 -14,-0.1 -0.369 46.0 -55.1 67.8-151.1 -1.1 3.4 9.1 129 159 A Q T 3 S+ 0 0 167 1,-0.1 2,-0.7 -2,-0.1 -1,-0.2 0.417 110.6 82.2-110.1 -5.5 -3.0 6.7 9.0 130 160 A Q X> - 0 0 105 -3,-0.6 3,-1.1 1,-0.1 4,-0.9 -0.893 55.5-169.6-110.3 104.4 -1.6 8.6 12.1 131 161 A V T 34 S+ 0 0 19 -2,-0.7 -1,-0.1 1,-0.2 -23,-0.1 0.642 78.4 53.5 -71.2 -17.7 1.7 10.2 11.1 132 162 A D T 34 S+ 0 0 22 1,-0.1 -1,-0.2 -27,-0.1 -27,-0.1 0.390 117.8 23.2-110.3 15.2 2.7 11.2 14.7 133 163 A N T X> S+ 0 0 51 -3,-1.1 3,-2.0 -6,-0.2 4,-1.6 0.434 76.1 112.3-152.6 13.4 2.4 8.0 16.7 134 164 A F H 3X S+ 0 0 1 -4,-0.9 6,-0.9 1,-0.3 4,-0.7 0.693 83.0 54.5 -68.7 -20.1 2.8 4.9 14.4 135 165 A W H 34 S+ 0 0 0 2,-0.1 -87,-2.5 1,-0.1 -1,-0.3 0.634 109.0 46.8 -83.3 -11.7 6.1 4.1 16.0 136 166 A L H <4 S+ 0 0 44 -3,-2.0 56,-0.2 2,-0.2 -2,-0.2 0.802 131.2 11.7 -98.3 -36.1 4.8 4.1 19.6 137 167 A V H < S- 0 0 71 -4,-1.6 -3,-0.1 1,-0.4 -2,-0.1 0.308 108.2-136.4-126.1 1.1 1.7 2.0 19.3 138 168 A G S < S+ 0 0 14 -4,-0.7 -1,-0.4 -5,-0.3 -2,-0.2 -0.245 76.9 156.3 93.4 164.5 1.8 0.4 15.9 139 169 A P S S+ 0 0 57 0, 0.0 -13,-0.2 0, 0.0 -12,-0.1 -0.984 89.9 79.0 -94.9 1.1 1.1 -0.6 13.2 140 170 A L + 0 0 0 -6,-0.9 2,-0.3 -13,-0.2 -2,-0.1 -0.452 58.9 168.0 -72.5 127.1 4.9 -0.3 12.4 141 171 A K - 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