==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-DEC-06 2JC7 . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-24; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR E.SANTILLANA,A.ROMERO . 244 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 72.5 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 . 44 18.0 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 . 1 0.4 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 . 18 7.4 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 . 73 29.9 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 1 2 2 0 1 0 0 0 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 . 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 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 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 32 A H 0 0 235 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -85.3 65.6 32.2 42.2 2 33 A I - 0 0 63 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.611 360.0-117.6 -84.7 142.3 67.7 33.9 39.5 3 34 A S > - 0 0 57 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.400 12.1-124.2 -80.5 155.7 66.8 33.3 35.9 4 35 A S H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 113.5 58.0 -62.6 -38.4 69.0 31.6 33.3 5 36 A Q H > S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 107.1 47.3 -57.3 -46.2 68.6 34.7 31.1 6 37 A Q H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 110.5 51.0 -64.7 -40.0 70.1 36.8 34.0 7 38 A H H X S+ 0 0 34 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.920 111.8 48.0 -64.3 -41.6 73.0 34.5 34.6 8 39 A E H X S+ 0 0 99 -4,-2.6 4,-2.0 1,-0.2 28,-0.3 0.858 112.0 49.6 -66.8 -35.3 73.9 34.5 30.9 9 40 A K H X S+ 0 0 157 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.922 112.0 47.6 -70.1 -43.3 73.7 38.3 30.8 10 41 A A H X S+ 0 0 19 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.939 113.4 46.3 -63.7 -48.1 75.9 38.8 33.8 11 42 A I H >X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 3,-0.6 0.931 111.6 52.7 -61.1 -44.7 78.6 36.4 32.7 12 43 A K H 3X S+ 0 0 97 -4,-2.0 4,-2.3 24,-0.3 3,-0.5 0.887 106.1 53.9 -57.3 -40.3 78.5 37.9 29.2 13 44 A S H 3X S+ 0 0 32 -4,-2.1 4,-3.0 1,-0.2 -1,-0.3 0.797 99.2 62.9 -67.0 -27.2 79.0 41.4 30.7 14 45 A Y H S+ 0 0 0 -4,-1.2 5,-1.6 -3,-0.5 4,-0.3 0.842 115.1 54.1 -81.1 -36.1 83.8 39.4 29.2 16 47 A D H ><5S+ 0 0 66 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.944 108.5 48.9 -62.4 -47.1 82.3 42.5 27.6 17 48 A E H 3<5S+ 0 0 129 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 106.8 55.2 -65.1 -25.8 83.7 44.8 30.4 18 49 A A T 3<5S- 0 0 29 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.542 110.5-130.0 -82.4 -5.5 87.1 43.2 30.0 19 50 A Q T < 5 + 0 0 157 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.962 69.3 102.8 54.5 58.0 86.8 44.1 26.4 20 51 A T S S- B 0 31A 99 3,-2.2 3,-1.7 -2,-0.5 2,-0.6 -0.914 71.8 -44.6-113.0 104.2 77.8 19.8 36.5 29 60 A G T 3 S- 0 0 60 -2,-0.7 -2,-0.0 183,-0.4 0, 0.0 -0.661 125.1 -25.4 75.9-118.1 77.7 16.0 36.4 30 61 A K T 3 S+ 0 0 205 -2,-0.6 2,-0.5 2,-0.0 -1,-0.3 0.393 116.1 103.7-107.8 3.1 77.6 15.1 32.8 31 62 A N E < -B 28 0A 104 -3,-1.7 -3,-2.2 2,-0.0 2,-0.3 -0.759 55.9-153.8 -96.0 124.5 76.0 18.4 31.6 32 63 A L E -B 27 0A 59 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.726 8.3-167.3 -93.3 140.0 78.1 21.1 29.9 33 64 A S E -B 26 0A 22 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.5 -0.998 6.8-153.1-130.5 128.8 77.0 24.8 30.1 34 65 A T E +B 25 0A 50 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.899 20.6 167.5-107.1 123.7 78.5 27.5 27.9 35 66 A Y E +B 24 0A 31 -11,-1.8 -11,-2.6 -2,-0.5 2,-0.3 -0.855 26.2 70.4-127.8 163.9 78.6 31.1 29.1 36 67 A G E S-B 23 0A 9 -28,-0.3 -24,-0.3 -2,-0.3 3,-0.2 -0.856 85.0 -70.2 129.7-166.0 80.3 34.2 27.9 37 68 A N S S+ 0 0 42 -15,-1.5 -14,-0.2 -2,-0.3 -1,-0.1 0.262 121.7 42.0-114.3 10.2 80.2 36.7 25.0 38 69 A A > + 0 0 23 -16,-1.2 3,-2.6 -3,-0.2 4,-0.2 -0.322 61.6 168.8-151.9 59.0 81.6 34.4 22.3 39 70 A L G > + 0 0 89 1,-0.3 3,-2.1 -3,-0.2 4,-0.2 0.724 68.8 74.0 -48.0 -30.1 79.9 31.0 22.7 40 71 A A G > S+ 0 0 76 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.631 81.0 73.4 -63.3 -12.0 81.2 29.7 19.4 41 72 A R G X S+ 0 0 26 -3,-2.6 3,-2.0 1,-0.2 -1,-0.3 0.734 72.1 88.6 -73.2 -20.2 84.6 29.4 20.9 42 73 A A G < S+ 0 0 7 -3,-2.1 104,-1.6 1,-0.3 105,-0.3 0.823 98.8 29.2 -46.5 -41.4 83.5 26.4 22.8 43 74 A N G < S+ 0 0 122 -3,-0.7 2,-0.3 -4,-0.2 -1,-0.3 0.117 96.5 106.9-112.1 22.9 84.4 24.0 20.0 44 75 A K < - 0 0 116 -3,-2.0 2,-0.3 99,-0.1 102,-0.1 -0.730 68.9-114.9 -99.3 151.2 87.3 25.8 18.4 45 76 A E + 0 0 102 -2,-0.3 2,-0.3 99,-0.2 99,-0.2 -0.624 37.6 165.0 -87.8 142.9 90.9 24.7 18.7 46 77 A Y B -F 143 0B 34 97,-1.8 97,-2.7 -2,-0.3 93,-0.0 -0.965 46.0 -88.9-148.0 157.9 93.6 26.7 20.4 47 78 A V - 0 0 5 -2,-0.3 95,-0.2 95,-0.2 144,-0.2 -0.466 33.6-135.5 -68.1 142.4 97.1 26.0 21.7 48 79 A P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.713 34.5-178.1 -73.4 -18.7 96.9 24.8 25.4 49 80 A A G > - 0 0 0 87,-1.8 3,-2.3 1,-0.3 4,-0.2 -0.176 67.3 -10.0 51.7-145.5 99.8 27.0 26.4 50 81 A S G > S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.580 121.5 79.8 -60.1 -9.5 100.6 26.5 30.1 51 82 A T G X S+ 0 0 1 -3,-2.0 3,-1.2 1,-0.3 4,-0.5 0.771 82.7 69.0 -68.6 -19.0 97.5 24.5 30.8 52 83 A F G X> S+ 0 0 0 -3,-2.3 4,-2.8 1,-0.2 3,-0.5 0.730 76.5 81.4 -67.9 -20.5 99.5 21.7 29.3 53 84 A K H <> S+ 0 0 0 -3,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.811 84.0 61.5 -56.2 -29.0 101.8 21.8 32.4 54 85 A M H <> S+ 0 0 3 -3,-1.2 4,-1.8 -4,-0.3 -1,-0.2 0.944 111.6 36.2 -62.5 -47.4 99.1 19.6 34.1 55 86 A L H <> S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.5 -2,-0.2 0.839 114.1 57.2 -74.8 -33.0 99.6 16.8 31.6 56 87 A N H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.942 109.6 46.8 -61.3 -45.5 103.4 17.5 31.3 57 88 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.887 111.1 51.0 -62.9 -42.3 103.5 16.9 35.1 58 89 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.930 113.4 45.7 -61.0 -46.5 101.4 13.7 35.0 59 90 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.929 113.5 47.1 -64.0 -48.2 103.6 12.3 32.2 60 91 A G H <>S+ 0 0 0 -4,-2.6 5,-3.5 -5,-0.2 6,-0.7 0.895 115.3 46.0 -62.7 -40.3 106.9 13.1 33.9 61 92 A L H ><5S+ 0 0 12 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.2 0.886 112.7 49.2 -70.7 -40.2 105.8 11.8 37.3 62 93 A E H 3<5S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.892 114.9 44.0 -65.5 -42.0 104.4 8.6 35.9 63 94 A N T 3<5S- 0 0 48 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.177 115.3-114.7 -90.7 17.4 107.4 7.8 33.8 64 95 A H T < 5S+ 0 0 150 -3,-1.0 -3,-0.2 2,-0.2 -4,-0.1 0.837 72.0 136.5 53.7 42.7 109.8 8.7 36.7 65 96 A K S S- 0 0 92 1,-0.1 3,-2.0 0, 0.0 4,-0.5 -0.987 72.8-132.3-133.3 141.5 110.7 37.0 34.8 82 113 A P G > S+ 0 0 106 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.824 106.4 66.6 -57.2 -33.5 112.8 37.5 38.0 83 114 A M G 3 S+ 0 0 90 1,-0.3 3,-0.1 -3,-0.0 15,-0.1 0.703 98.9 53.8 -62.5 -18.3 110.4 35.1 39.8 84 115 A W G < S+ 0 0 20 -3,-2.0 2,-2.1 1,-0.2 -1,-0.3 0.609 82.5 90.0 -91.2 -14.0 111.7 32.4 37.5 85 116 A E S < S+ 0 0 63 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.376 78.2 77.6 -83.0 62.6 115.4 32.9 38.3 86 117 A K S S- 0 0 92 -2,-2.1 2,-0.4 -14,-0.1 -11,-0.1 -0.968 87.6 -88.2-158.4 168.8 115.4 30.5 41.2 87 118 A D + 0 0 79 -2,-0.3 2,-0.3 -14,-0.1 -14,-0.2 -0.683 55.3 166.8 -84.3 132.3 115.5 26.8 42.1 88 119 A M B -G 72 0C 0 -16,-2.1 -16,-3.3 -2,-0.4 2,-0.1 -0.980 34.8-117.5-150.5 162.6 112.1 25.2 42.3 89 120 A T > - 0 0 28 -2,-0.3 4,-2.6 -18,-0.2 5,-0.2 -0.427 44.5-100.5 -88.0 168.9 110.0 22.1 42.5 90 121 A L H > S+ 0 0 0 -20,-0.4 4,-1.7 -23,-0.4 5,-0.1 0.915 124.8 52.7 -54.9 -43.3 107.5 21.0 39.9 91 122 A G H > S+ 0 0 21 -23,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.844 109.7 44.7 -63.4 -39.1 104.8 22.4 42.2 92 123 A E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 113.3 52.6 -73.2 -35.9 106.3 25.8 42.7 93 124 A A H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.6 0.801 107.3 53.0 -67.8 -28.9 107.0 25.9 38.9 94 125 A M H <5S+ 0 0 3 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.922 110.2 46.3 -71.1 -45.2 103.3 25.1 38.3 95 126 A A H <5S+ 0 0 83 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.869 121.5 37.7 -64.7 -38.2 102.1 28.0 40.5 96 127 A L H <5S- 0 0 46 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.528 104.7-131.5 -88.9 -8.9 104.6 30.4 38.9 97 128 A S T <5 - 0 0 22 -4,-0.6 2,-1.3 1,-0.2 -3,-0.2 0.928 33.6-174.2 56.3 46.5 104.0 28.8 35.5 98 129 A A >>< - 0 0 0 -5,-2.5 4,-1.3 1,-0.2 3,-0.8 -0.610 11.0-168.9 -79.0 93.7 107.8 28.6 35.0 99 130 A V H 3> S+ 0 0 25 -2,-1.3 4,-2.0 1,-0.2 5,-0.2 0.809 79.6 63.7 -51.1 -40.6 108.1 27.3 31.4 100 131 A P H 3> S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.913 102.6 49.2 -54.7 -43.8 111.9 26.6 31.7 101 132 A V H <> S+ 0 0 3 -3,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.922 114.5 44.6 -63.1 -43.2 111.3 23.9 34.4 102 133 A Y H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.704 109.1 55.8 -76.8 -17.8 108.6 22.2 32.3 103 134 A Q H X S+ 0 0 41 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.898 108.7 48.9 -76.3 -39.0 110.7 22.4 29.1 104 135 A E H X S+ 0 0 74 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.936 111.3 49.6 -62.3 -46.2 113.4 20.6 31.0 105 136 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.883 110.0 50.7 -60.5 -39.7 110.9 18.0 32.2 106 137 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.902 108.6 52.0 -65.7 -40.2 109.6 17.6 28.6 107 138 A R H < S+ 0 0 116 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.850 107.4 52.4 -64.6 -34.6 113.1 17.1 27.4 108 139 A R H < S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.950 110.6 48.0 -65.2 -45.9 113.7 14.4 30.0 109 140 A T H < S- 0 0 8 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.904 107.7-147.4 -59.9 -42.3 110.5 12.6 28.8 110 141 A G X - 0 0 23 -4,-2.6 4,-2.6 3,-0.2 5,-0.2 0.227 23.0 -83.4 86.5 148.9 111.7 12.9 25.2 111 142 A L H > S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.907 124.3 50.1 -52.6 -50.8 109.7 13.4 22.0 112 143 A E H > S+ 0 0 173 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 115.0 41.2 -58.5 -47.4 108.9 9.7 21.5 113 144 A L H > S+ 0 0 40 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.904 115.5 52.1 -68.7 -40.6 107.6 9.1 25.0 114 145 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.946 109.6 47.7 -61.1 -50.4 105.7 12.4 25.0 115 146 A Q H X S+ 0 0 45 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.881 113.8 49.1 -59.1 -37.6 104.0 11.8 21.7 116 147 A K H X S+ 0 0 115 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.871 113.5 45.4 -70.7 -37.0 103.0 8.3 22.9 117 148 A E H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.834 111.9 50.3 -76.5 -33.0 101.7 9.6 26.2 118 149 A V H X>S+ 0 0 0 -4,-2.7 5,-1.7 2,-0.2 4,-0.8 0.883 112.0 49.4 -71.1 -35.7 99.8 12.5 24.7 119 150 A K H <5S+ 0 0 113 -4,-1.7 3,-0.3 -5,-0.3 -2,-0.2 0.922 110.4 51.7 -66.2 -44.3 98.2 10.0 22.2 120 151 A R H <5S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 112.9 41.2 -62.8 -42.2 97.3 7.6 25.1 121 152 A V H <5S- 0 0 17 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.603 106.1-131.9 -82.6 -9.9 95.5 10.2 27.3 122 153 A N T <5 - 0 0 119 -4,-0.8 2,-0.6 -3,-0.3 -3,-0.2 0.938 34.0-176.2 60.9 52.3 93.9 11.6 24.1 123 154 A F > < - 0 0 5 -5,-1.7 3,-2.3 3,-0.1 -1,-0.2 -0.711 49.0 -54.5 -85.9 119.3 94.7 15.3 24.8 124 155 A G T 3 S- 0 0 8 -2,-0.6 19,-0.2 1,-0.3 17,-0.1 -0.200 119.3 -18.3 52.6-133.6 93.3 17.7 22.2 125 156 A N T 3 S- 0 0 48 17,-2.4 -1,-0.3 2,-0.1 18,-0.1 0.388 87.0-136.7 -84.5 3.9 94.3 16.9 18.6 126 157 A T < + 0 0 20 -3,-2.3 2,-0.6 16,-0.3 -2,-0.1 0.566 59.7 129.3 53.1 16.6 97.1 14.8 20.2 127 158 A N + 0 0 70 13,-0.2 -1,-0.2 15,-0.2 -2,-0.1 -0.882 25.0 166.9-106.6 122.1 99.7 16.1 17.7 128 159 A I > - 0 0 0 -2,-0.6 3,-0.6 1,-0.2 6,-0.2 0.485 28.8-156.2-107.8 -5.9 103.0 17.4 19.1 129 160 A G T 3 - 0 0 26 1,-0.2 -1,-0.2 11,-0.1 -14,-0.1 -0.364 47.1 -46.9 70.7-142.6 105.1 17.6 16.0 130 161 A T T 3 S+ 0 0 107 1,-0.1 2,-0.8 -2,-0.1 -1,-0.2 0.517 112.3 80.7-110.1 -9.0 108.9 17.5 16.1 131 162 A Q X> - 0 0 104 -3,-0.6 3,-1.3 1,-0.1 4,-0.9 -0.844 53.6-172.1-105.0 100.7 109.8 20.0 18.8 132 163 A V T 34 S+ 0 0 25 -2,-0.8 -1,-0.1 1,-0.2 4,-0.1 0.658 79.8 54.3 -64.3 -18.3 109.4 18.4 22.3 133 164 A D T 34 S+ 0 0 38 1,-0.1 -1,-0.2 -27,-0.1 -26,-0.1 0.283 119.3 20.7-105.3 13.2 110.0 21.7 24.2 134 165 A N T X> S+ 0 0 48 -3,-1.3 4,-1.9 -6,-0.2 3,-1.7 0.315 77.7 113.0-158.5 11.7 107.4 24.1 22.7 135 166 A F H 3X S+ 0 0 0 -4,-0.9 6,-1.1 1,-0.3 4,-0.7 0.768 84.6 51.4 -63.7 -23.8 104.6 22.1 21.0 136 167 A W H 34 S+ 0 0 0 2,-0.1 -87,-1.8 1,-0.1 -1,-0.3 0.469 111.6 49.0 -90.6 -1.3 102.1 23.3 23.6 137 168 A L H <4 S+ 0 0 39 -3,-1.7 56,-0.3 2,-0.3 -2,-0.2 0.788 129.2 8.8-105.7 -37.8 103.2 27.0 23.0 138 169 A V H < S- 0 0 77 -4,-1.9 -3,-0.1 1,-0.5 -2,-0.1 0.190 109.6-122.6-131.3 16.6 103.1 27.5 19.3 139 170 A G S < S+ 0 0 12 -4,-0.7 -1,-0.5 -5,-0.3 -2,-0.3 -0.308 81.2 144.5 99.9 173.1 101.5 24.4 17.9 140 171 A P S S+ 0 0 53 0, 0.0 2,-0.2 0, 0.0 -13,-0.2 -0.999 90.0 80.8 -81.4 -1.1 100.9 22.0 16.5 141 172 A L + 0 0 0 -6,-1.1 2,-0.3 -13,-0.2 -2,-0.2 -0.454 58.7 168.2 -66.8 129.2 99.1 20.8 19.6 142 173 A K - 0 0 71 -2,-0.2 -17,-2.4 -95,-0.2 -16,-0.3 -0.957 11.3-179.5-139.0 156.4 95.6 22.3 19.9 143 174 A I B -F 46 0B 1 -97,-2.7 -97,-1.8 -2,-0.3 -99,-0.1 -0.986 22.5-121.8-155.5 152.2 92.6 21.7 22.1 144 175 A T > - 0 0 12 -2,-0.3 4,-2.2 -99,-0.2 3,-0.3 -0.635 27.4-114.1 -98.4 158.0 89.1 23.0 22.5 145 176 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.816 119.4 53.8 -56.8 -31.9 87.5 24.6 25.6 146 177 A V H > S+ 0 0 22 -104,-1.6 4,-1.6 2,-0.2 5,-0.1 0.879 107.9 48.3 -70.8 -39.4 85.1 21.6 25.7 147 178 A Q H > S+ 0 0 67 -3,-0.3 4,-1.8 -105,-0.3 -1,-0.2 0.850 108.9 56.5 -69.3 -31.9 88.0 19.1 25.6 148 179 A E H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.925 106.7 46.0 -67.5 -45.8 89.7 21.1 28.4 149 180 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.882 113.0 51.9 -64.3 -35.6 86.8 20.9 30.9 150 181 A N H X S+ 0 0 47 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.860 110.4 47.7 -68.1 -33.0 86.5 17.2 30.1 151 182 A F H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.922 113.8 47.4 -70.6 -41.7 90.2 16.8 30.8 152 183 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.876 110.8 53.1 -63.9 -37.4 89.7 18.8 34.0 153 184 A D H X S+ 0 0 7 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.913 109.6 47.7 -64.1 -45.1 86.7 16.6 34.8 154 185 A D H <>S+ 0 0 54 -4,-2.2 5,-3.4 2,-0.2 6,-0.5 0.941 113.8 46.5 -62.0 -48.2 88.8 13.4 34.4 155 186 A L H ><5S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.920 108.5 54.2 -61.8 -46.1 91.6 14.7 36.5 156 187 A A H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 116.7 39.7 -59.2 -27.7 89.4 16.0 39.3 157 188 A H T 3<5S- 0 0 68 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.136 112.5-117.9-106.9 17.0 87.9 12.4 39.4 158 189 A N T < 5S+ 0 0 48 -3,-2.0 -3,-0.2 1,-0.1 4,-0.1 0.836 73.4 132.8 50.0 39.2 91.2 10.6 38.9 159 190 A R < + 0 0 132 -5,-3.4 -4,-0.2 -6,-0.2 -1,-0.1 0.486 31.8 108.2 -96.9 -5.1 89.9 9.1 35.7 160 191 A L S S- 0 0 9 -6,-0.5 2,-2.4 1,-0.1 7,-0.1 -0.372 88.4 -99.6 -69.9 154.7 92.9 9.8 33.5 161 192 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.366 90.5 98.3 -75.4 65.0 95.0 6.8 32.6 162 193 A F S S- 0 0 16 -2,-2.4 -103,-0.1 -4,-0.1 5,-0.1 -0.954 85.6 -79.1-143.4 157.3 97.7 7.4 35.3 163 194 A K > - 0 0 130 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.152 42.8-115.7 -54.9 155.1 98.2 5.8 38.7 164 195 A L H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 115.9 52.3 -60.3 -42.9 96.0 7.3 41.4 165 196 A E H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.896 104.8 55.0 -61.5 -42.7 99.0 8.7 43.3 166 197 A T H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 110.4 45.7 -57.3 -47.4 100.3 10.4 40.2 167 198 A Q H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.884 113.2 49.9 -64.7 -38.4 97.0 12.3 39.7 168 199 A E H X S+ 0 0 61 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.877 107.8 54.3 -67.5 -37.3 96.9 13.2 43.4 169 200 A E H X S+ 0 0 47 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.952 113.3 41.9 -60.8 -48.3 100.4 14.5 43.3 170 201 A V H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 4,-0.4 0.865 109.2 57.9 -68.8 -36.9 99.6 16.8 40.4 171 202 A K H >< S+ 0 0 12 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.866 99.8 58.2 -63.3 -34.7 96.2 17.9 41.8 172 203 A K H >< S+ 0 0 163 -4,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.764 100.2 59.7 -65.0 -24.3 97.9 19.2 45.0 173 204 A M T << S+ 0 0 27 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.626 97.7 61.7 -77.4 -14.4 100.0 21.5 42.8 174 205 A L T < + 0 0 2 -3,-1.3 12,-2.4 -4,-0.4 2,-0.7 0.298 63.2 123.8 -99.7 9.5 96.9 23.2 41.4 175 206 A L E < +C 185 0A 64 -3,-0.7 10,-0.2 10,-0.2 3,-0.1 -0.600 21.9 156.6 -74.2 112.8 95.3 24.8 44.5 176 207 A I E + 0 0 70 8,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.547 57.0 12.8-113.8 -11.3 95.0 28.5 43.7 177 208 A K E -C 184 0A 87 7,-1.2 7,-3.5 2,-0.0 2,-0.4 -0.964 46.2-156.0-167.7 148.8 92.1 29.7 45.9 178 209 A E E +C 183 0A 129 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.996 19.8 174.4-127.7 125.3 89.9 29.0 48.9 179 210 A V E > -C 182 0A 28 3,-3.1 3,-1.9 -2,-0.4 -2,-0.0 -0.938 64.9 -31.2-139.2 114.8 86.5 30.7 49.2 180 211 A N T 3 S- 0 0 148 -2,-0.4 28,-0.3 1,-0.3 3,-0.1 0.891 126.5 -39.9 46.2 56.0 83.9 30.0 51.8 181 212 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 26,-0.1 -1,-0.3 0.418 118.5 111.9 79.4 -4.4 84.6 26.3 52.2 182 213 A S E < -C 179 0A 10 -3,-1.9 -3,-3.1 25,-0.2 2,-0.5 -0.849 54.2-152.3-104.8 140.3 85.2 25.9 48.5 183 214 A K E -CD 178 206A 75 23,-2.8 23,-3.3 -2,-0.4 2,-0.6 -0.944 4.2-150.4-113.5 129.3 88.6 25.1 47.0 184 215 A I E -CD 177 205A 0 -7,-3.5 -8,-2.5 -2,-0.5 -7,-1.2 -0.880 11.3-172.9-101.7 118.0 89.5 26.2 43.4 185 216 A Y E +CD 175 204A 30 19,-3.0 19,-2.8 -2,-0.6 2,-0.3 -0.945 27.2 138.6-107.8 120.0 92.0 23.9 41.6 186 217 A A E - D 0 203A 3 -12,-2.4 2,-0.4 -2,-0.6 17,-0.3 -0.998 43.9-139.9-159.9 161.5 93.2 25.4 38.3 187 218 A K E - D 0 202A 7 15,-2.9 15,-2.3 -2,-0.3 2,-0.1 -0.994 22.9-146.4-126.2 127.5 95.9 26.0 35.8 188 219 A S E - D 0 201A 29 -2,-0.4 2,-0.3 13,-0.2 13,-0.3 -0.452 15.2-168.8 -87.8 165.6 96.1 29.3 33.9 189 220 A G E + D 0 200A 1 11,-1.9 11,-3.1 -139,-0.2 2,-0.2 -0.990 15.2 177.6-153.9 149.0 97.5 29.6 30.4 190 221 A W E - D 0 199A 57 -2,-0.3 2,-0.9 9,-0.3 9,-0.2 -0.711 13.3-159.1-157.6 99.8 98.4 32.4 28.0 191 222 A G E + D 0 198A 2 7,-2.2 7,-1.2 -2,-0.2 3,-0.3 -0.735 20.6 164.7 -84.4 109.9 99.8 31.7 24.5 192 223 A M + 0 0 104 -2,-0.9 -1,-0.2 5,-0.2 5,-0.1 0.607 67.2 71.2 -97.2 -16.5 101.7 34.8 23.4 193 224 A G S S+ 0 0 55 -56,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.096 94.4 66.9 -87.4 24.9 103.6 33.1 20.6 194 225 A V S S- 0 0 39 -3,-0.3 -56,-0.0 4,-0.0 4,-0.0 -0.943 86.1 -98.9-139.9 159.3 100.4 32.8 18.6 195 226 A T S S+ 0 0 139 -2,-0.3 2,-0.2 1,-0.1 -3,-0.1 -0.984 108.2 25.0-134.4 123.5 98.0 35.2 16.9 196 227 A P S S- 0 0 74 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.611 103.4-122.5 -73.7 164.8 95.5 36.0 18.2 197 228 A Q E - E 0 221A 30 24,-0.6 24,-1.4 -2,-0.2 2,-0.4 -0.441 25.0-146.8 -72.4 147.7 96.8 35.4 21.7 198 229 A V E -DE 191 220A 3 -7,-1.2 -7,-2.2 22,-0.3 2,-0.4 -0.948 8.3-159.9-122.9 139.3 94.8 33.0 23.8 199 230 A G E -DE 190 219A 0 20,-3.6 20,-2.0 -2,-0.4 2,-0.3 -0.901 12.4-177.0-116.6 145.4 94.1 32.9 27.5 200 231 A W E +DE 189 218A 0 -11,-3.1 -11,-1.9 -2,-0.4 18,-0.2 -0.919 23.4 177.3-137.3 164.4 93.0 30.0 29.7 201 232 A L E +DE 188 217A 1 16,-1.3 16,-2.6 -2,-0.3 2,-0.4 -0.634 24.2 173.0-166.0 95.8 92.0 29.0 33.2 202 233 A T E +DE 187 216A 0 -15,-2.3 -15,-2.9 14,-0.2 2,-0.3 -0.898 25.8 80.9-114.6 142.3 91.0 25.4 33.5 203 234 A G E -DE 186 215A 0 12,-2.1 12,-2.3 -2,-0.4 2,-0.3 -0.922 60.6 -89.8 168.0-140.1 90.2 23.4 36.6 204 235 A W E -DE 185 214A 3 -19,-2.8 -19,-3.0 10,-0.3 2,-0.5 -0.984 18.7-120.3-166.0 159.9 87.5 22.7 39.0 205 236 A V E -DE 184 213A 0 8,-2.0 8,-2.7 -2,-0.3 2,-0.7 -0.922 18.2-152.8-109.2 132.7 85.9 23.9 42.3 206 237 A E E -DE 183 212A 64 -23,-3.3 -23,-2.8 -2,-0.5 6,-0.2 -0.933 18.4-149.4-105.1 113.2 85.7 21.4 45.2 207 238 A Q > - 0 0 32 4,-2.9 3,-2.7 -2,-0.7 -25,-0.2 -0.445 27.2-104.7 -81.0 158.0 82.7 22.4 47.3 208 239 A A T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -28,-0.3 -27,-0.1 0.883 120.8 59.4 -46.1 -47.0 82.7 21.8 51.1 209 240 A N T 3 S- 0 0 121 1,-0.1 -1,-0.3 2,-0.1 -27,-0.1 0.421 122.2-106.6 -66.7 3.2 80.2 18.9 50.6 210 241 A G S < S+ 0 0 37 -3,-2.7 -2,-0.1 1,-0.3 -1,-0.1 0.245 73.1 140.6 92.1 -14.1 82.8 17.2 48.4 211 242 A K - 0 0 132 -5,-0.1 -4,-2.9 1,-0.1 2,-0.5 -0.382 41.7-144.1 -66.4 139.2 81.1 17.8 45.0 212 243 A K E - E 0 206A 55 -6,-0.2 -183,-0.4 -2,-0.1 -6,-0.2 -0.918 14.3-172.2-110.8 127.9 83.5 18.7 42.2 213 244 A I E - E 0 205A 8 -8,-2.7 -8,-2.0 -2,-0.5 -185,-0.1 -0.889 11.8-155.4-122.9 101.0 82.5 21.2 39.5 214 245 A P E + E 0 204A 1 0, 0.0 -187,-2.7 0, 0.0 -10,-0.3 -0.369 16.8 173.9 -73.6 151.4 85.0 21.5 36.5 215 246 A F E -AE 26 203A 0 -12,-2.3 -12,-2.1 -189,-0.2 2,-0.3 -0.940 20.6-155.1-149.8 167.4 85.2 24.6 34.3 216 247 A S E -AE 25 202A 0 -191,-1.5 -191,-2.4 -2,-0.3 2,-0.4 -0.815 5.5-163.4-155.0 110.9 87.3 26.1 31.5 217 248 A L E +AE 24 201A 0 -16,-2.6 -16,-1.3 -2,-0.3 2,-0.4 -0.791 14.9 176.4 -93.7 132.5 87.6 29.8 30.8 218 249 A N E +AE 23 200A 0 -195,-3.0 -195,-3.0 -2,-0.4 2,-0.3 -0.971 10.0 147.2-141.8 124.5 89.0 30.6 27.3 219 250 A L E -AE 22 199A 0 -20,-2.0 -20,-3.6 -2,-0.4 2,-0.5 -0.936 48.1 -92.4-149.2 170.5 89.4 34.1 25.9 220 251 A E E - E 0 198A 40 -199,-2.2 2,-0.3 -2,-0.3 -22,-0.3 -0.753 37.4-147.1 -89.5 130.1 91.5 36.2 23.6 221 252 A M E - E 0 197A 3 -24,-1.4 -24,-0.6 -2,-0.5 2,-0.4 -0.764 10.7-159.6 -97.3 145.5 94.3 38.1 25.3 222 253 A K > - 0 0 58 -2,-0.3 3,-1.0 -26,-0.1 -24,-0.0 -0.941 31.5 -92.9-124.5 146.5 95.5 41.5 24.0 223 254 A E T 3 S+ 0 0 147 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 -0.298 115.1 30.8 -56.2 135.7 98.8 43.3 24.6 224 255 A G T 3 S+ 0 0 94 1,-0.3 2,-0.4 -3,-0.0 -1,-0.3 0.688 92.8 127.0 85.8 19.5 98.5 45.5 27.6 225 256 A M < - 0 0 32 -3,-1.0 -1,-0.3 2,-0.0 2,-0.3 -0.915 61.6-120.1-112.2 135.7 96.0 43.2 29.3 226 257 A S > - 0 0 71 -2,-0.4 3,-1.8 1,-0.1 4,-0.3 -0.574 10.8-138.0 -77.9 133.7 96.5 41.9 32.8 227 258 A G T > S+ 0 0 14 -2,-0.3 3,-1.3 1,-0.3 4,-0.4 0.751 96.8 72.4 -60.4 -24.6 96.7 38.1 33.2 228 259 A S T 3> S+ 0 0 49 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.597 74.6 79.9 -69.4 -11.8 94.5 38.3 36.3 229 260 A I H <> S+ 0 0 23 -3,-1.8 4,-3.0 1,-0.2 5,-0.3 0.860 86.3 61.6 -63.1 -31.6 91.4 39.0 34.3 230 261 A R H <> S+ 0 0 27 -3,-1.3 4,-1.4 -4,-0.3 -1,-0.2 0.920 110.6 38.7 -57.9 -43.0 91.3 35.3 33.6 231 262 A N H > S+ 0 0 36 -4,-0.4 4,-2.8 -3,-0.2 -2,-0.2 0.905 115.2 51.9 -74.1 -43.4 90.9 34.7 37.3 232 263 A E H X S+ 0 0 106 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.874 112.3 45.8 -62.6 -39.1 88.6 37.7 38.0 233 264 A I H X S+ 0 0 6 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.888 113.3 50.6 -71.8 -37.3 86.2 36.6 35.2 234 265 A T H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.3 -2,-0.2 0.934 112.1 45.9 -65.0 -47.0 86.3 33.0 36.4 235 266 A Y H X S+ 0 0 39 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.922 112.5 49.3 -63.5 -47.1 85.5 33.9 40.1 236 267 A K H X S+ 0 0 88 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.858 114.6 46.5 -62.0 -34.8 82.7 36.3 39.3 237 268 A S H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 6,-0.2 0.937 113.0 47.8 -71.5 -48.3 81.1 33.7 37.0 238 269 A L H <>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 6,-0.9 0.894 116.8 44.6 -58.9 -40.7 81.5 30.9 39.5 239 270 A E H ><5S+ 0 0 128 -4,-2.9 3,-1.9 5,-0.2 -2,-0.2 0.947 108.7 54.8 -70.5 -48.4 80.1 33.2 42.2 240 271 A N H 3<5S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 111.4 46.8 -54.1 -33.1 77.2 34.5 40.0 241 272 A L T 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.535 115.3-118.6 -85.5 -8.2 76.2 30.9 39.4 242 273 A G T < 5S+ 0 0 54 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.716 77.6 127.8 77.8 20.2 76.5 30.0 43.1 243 274 A I < 0 0 5 -5,-2.8 -4,-0.2 -6,-0.2 -5,-0.1 0.846 360.0 360.0 -75.1 -36.1 79.2 27.5 42.4 244 275 A I 0 0 31 -6,-0.9 -5,-0.2 -9,-0.2 -62,-0.2 0.488 360.0 360.0-134.4 360.0 81.5 29.1 45.0