==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-07 2QDS . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR G.GARAU,O.DIDEBERG . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 0 0 0 2 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 1 3 1 0 2 0 0 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 . 0 0 0 0 1 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 41 A A 0 0 117 0, 0.0 3,-0.1 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 162.7 10.6 37.3 51.7 2 42 A G + 0 0 37 1,-0.2 16,-2.6 15,-0.1 17,-0.3 0.850 360.0 11.1 -59.3 -34.6 9.5 39.8 54.4 3 43 A M E S-A 17 0A 12 14,-0.2 2,-0.3 15,-0.1 -1,-0.2 -0.996 71.0-164.7-145.5 145.3 9.9 36.9 56.7 4 44 A S E -A 16 0A 38 12,-2.1 12,-2.0 -2,-0.3 2,-0.4 -0.937 8.1-159.0-128.9 150.6 11.4 33.4 56.5 5 45 A L E +A 15 0A 30 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.976 22.8 176.0-130.9 114.4 11.2 30.3 58.6 6 46 A T E -A 14 0A 86 8,-2.7 8,-3.1 -2,-0.4 2,-0.2 -0.965 31.6-114.5-131.2 135.3 14.1 27.8 58.1 7 47 A Q E +A 13 0A 110 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.473 28.5 174.3 -66.4 128.8 15.0 24.5 59.8 8 48 A V E S- 0 0 41 4,-2.9 2,-0.3 -2,-0.2 5,-0.2 0.819 74.5 -17.2 -94.9 -51.5 18.2 24.6 61.8 9 49 A S E > S-A 12 0A 50 3,-1.9 3,-2.5 1,-0.1 -1,-0.2 -0.859 105.0 -53.7-160.4 117.2 18.0 21.1 63.3 10 50 A G T 3 S- 0 0 39 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.231 126.3 -1.7 52.5-122.6 15.0 18.8 63.5 11 51 A P T 3 S+ 0 0 33 0, 0.0 18,-2.4 0, 0.0 2,-0.6 0.493 113.5 98.6 -77.3 -2.7 12.1 20.6 65.3 12 52 A V E < +AB 9 28A 0 -3,-2.5 -4,-2.9 16,-0.2 -3,-1.9 -0.793 51.4 175.9 -96.7 117.5 14.2 23.8 65.8 13 53 A Y E -AB 7 27A 39 14,-2.9 14,-2.2 -2,-0.6 2,-0.4 -0.869 22.6-136.4-120.0 149.8 13.7 26.5 63.2 14 54 A V E -AB 6 26A 10 -8,-3.1 -8,-2.7 -2,-0.3 2,-0.5 -0.898 12.1-150.8-106.7 137.2 15.0 30.1 62.8 15 55 A V E -AB 5 25A 0 10,-3.1 10,-2.1 -2,-0.4 2,-0.6 -0.930 3.4-162.5-104.3 125.0 12.8 33.0 61.9 16 56 A E E -AB 4 24A 52 -12,-2.0 -12,-2.1 -2,-0.5 2,-0.7 -0.959 8.0-167.4-106.2 113.3 14.4 35.9 60.0 17 57 A D E -AB 3 23A 0 6,-2.9 6,-2.3 -2,-0.6 -14,-0.2 -0.907 8.1-176.9-104.5 104.8 12.0 38.9 60.4 18 58 A N + 0 0 61 -16,-2.6 4,-0.2 -2,-0.7 -15,-0.1 0.378 44.5 115.6 -90.3 5.6 13.1 41.5 57.9 19 59 A Y S S- 0 0 81 -17,-0.3 4,-0.1 4,-0.1 -2,-0.1 -0.443 88.7 -22.9 -70.0 146.7 10.5 44.1 59.0 20 60 A Y S S- 0 0 72 -2,-0.1 2,-0.5 2,-0.1 3,-0.0 -0.221 138.7 -0.0 55.1-131.3 11.8 47.3 60.5 21 67 A V S S- 0 0 85 1,-0.1 -2,-0.1 91,-0.0 -4,-0.1 -0.797 102.2-101.0 -81.7 125.6 15.5 46.5 61.9 22 68 A Q - 0 0 55 -2,-0.5 183,-0.4 -4,-0.2 2,-0.4 -0.152 48.3-176.3 -47.3 132.0 15.9 42.8 61.0 23 69 A E E -B 17 0A 0 -6,-2.3 -6,-2.9 181,-0.1 2,-0.4 -0.982 16.0-143.2-131.4 144.6 15.4 40.6 64.1 24 70 A N E +B 16 0A 0 179,-2.2 -8,-0.2 -2,-0.4 2,-0.2 -0.932 24.0 167.9-110.7 134.7 15.8 36.8 64.3 25 71 A S E -B 15 0A 0 -10,-2.1 -10,-3.1 -2,-0.4 2,-0.3 -0.600 22.0-126.3-127.6-176.7 13.4 34.7 66.4 26 72 A M E -BC 14 37A 0 11,-2.5 11,-3.2 -12,-0.3 2,-0.4 -0.942 8.5-155.7-138.3 162.6 12.9 30.9 66.7 27 73 A V E -BC 13 36A 0 -14,-2.2 -14,-2.9 -2,-0.3 2,-0.5 -0.998 4.9-158.0-135.6 139.4 10.2 28.2 66.5 28 74 A Y E -BC 12 35A 18 7,-2.7 7,-2.5 -2,-0.4 2,-1.0 -0.981 10.1-151.1-117.4 119.8 10.1 24.8 68.0 29 75 A F E - C 0 34A 27 -18,-2.4 5,-0.2 -2,-0.5 2,-0.1 -0.784 26.2-174.2 -92.9 98.9 7.7 22.3 66.4 30 76 A G - 0 0 10 3,-1.7 29,-0.1 -2,-1.0 104,-0.0 -0.319 38.2-104.3 -92.1 174.3 6.7 19.9 69.2 31 77 A A S S+ 0 0 85 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.817 119.9 25.9 -68.0 -32.9 4.6 16.7 69.2 32 78 A K S S- 0 0 153 1,-0.3 2,-0.3 27,-0.1 -1,-0.2 0.546 131.9 -30.3-107.0 -13.2 1.6 18.4 70.8 33 79 A G - 0 0 0 26,-0.2 -3,-1.7 28,-0.0 2,-0.4 -0.984 66.5 -75.1 172.5 179.9 2.1 22.0 69.6 34 80 A V E -Cd 29 61A 0 26,-2.8 28,-2.2 -2,-0.3 29,-1.2 -0.808 25.2-156.6-109.4 137.6 4.3 24.8 68.6 35 81 A T E -Cd 28 63A 0 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.4 -0.964 9.5-154.8-111.2 124.7 6.4 27.1 70.8 36 82 A V E -Cd 27 64A 0 27,-2.7 29,-2.6 -2,-0.5 2,-0.7 -0.862 2.6-155.4 -99.0 133.0 7.4 30.5 69.4 37 83 A V E S+Cd 26 65A 0 -11,-3.2 -11,-2.5 -2,-0.4 29,-0.1 -0.914 74.3 14.0-112.3 104.1 10.6 32.1 70.8 38 84 A G S S- 0 0 0 27,-2.2 28,-0.2 -2,-0.7 -1,-0.2 0.427 74.4-129.2 93.7 122.3 10.3 35.8 70.4 39 85 A A - 0 0 0 34,-2.4 34,-0.2 1,-0.2 35,-0.2 0.590 45.0-127.9 -79.0 -9.5 7.0 37.4 69.6 40 86 A T - 0 0 0 32,-0.7 36,-1.8 1,-0.1 35,-0.2 -0.008 36.7 -61.3 71.2 174.9 8.4 39.4 66.6 41 87 A W S S- 0 0 14 34,-0.2 -1,-0.1 33,-0.1 33,-0.1 0.807 105.2 -2.3 -64.6 -43.8 7.9 43.2 66.0 42 88 A T S > S- 0 0 3 -3,-0.1 4,-2.7 30,-0.1 34,-0.3 -0.923 72.9 -97.3-142.1 168.1 4.2 43.7 65.7 43 89 A P H > S+ 0 0 31 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.888 125.1 52.7 -55.0 -35.5 0.8 41.9 65.6 44 90 A D H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.905 108.9 47.0 -67.5 -42.2 1.1 42.0 61.8 45 91 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 110.8 53.8 -67.6 -35.4 4.6 40.5 61.8 46 92 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.918 106.8 51.5 -58.7 -45.6 3.3 37.8 64.2 47 93 A R H X S+ 0 0 122 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.904 108.0 52.6 -58.8 -41.4 0.5 37.0 61.8 48 94 A E H X S+ 0 0 55 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.898 110.1 47.5 -61.8 -40.9 3.0 36.6 59.0 49 95 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.923 109.2 54.0 -65.4 -42.0 5.0 34.2 61.1 50 96 A H H X S+ 0 0 19 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.909 104.0 56.1 -60.0 -39.7 1.8 32.3 61.9 51 97 A K H X S+ 0 0 93 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.912 110.0 45.1 -56.7 -43.8 1.1 32.0 58.2 52 98 A L H >X S+ 0 0 48 -4,-1.5 3,-0.7 1,-0.2 4,-0.5 0.894 110.3 54.4 -67.8 -40.8 4.5 30.3 57.7 53 99 A I H >X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 3,-1.6 0.908 102.4 57.1 -57.4 -43.7 4.0 28.1 60.8 54 100 A K H 3< S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 100.9 58.3 -70.3 -9.6 0.6 26.8 59.3 55 102 A R H << S+ 0 0 225 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.700 115.1 36.9 -86.6 -13.0 2.5 25.6 56.1 56 103 A V H << S+ 0 0 71 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.803 127.0 11.8-103.1 -41.2 4.7 23.4 58.3 57 104 A S < - 0 0 23 -4,-2.5 -1,-0.3 2,-0.1 -23,-0.0 -0.999 43.3-154.9-145.2 144.2 2.4 22.1 61.0 58 105 A R + 0 0 248 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.423 64.6 115.9 -90.2 -2.7 -1.3 21.9 61.8 59 106 A K S S- 0 0 96 1,-0.1 -26,-0.2 -29,-0.1 -2,-0.1 -0.316 76.3 -94.0 -73.4 148.9 -0.5 21.6 65.6 60 108 A P - 0 0 77 0, 0.0 -26,-2.8 0, 0.0 2,-0.9 -0.315 30.5-116.3 -62.0 149.4 -1.8 24.5 67.9 61 109 A V E -d 34 0A 14 -28,-0.2 -26,-0.2 22,-0.2 3,-0.1 -0.797 38.1-176.9 -78.1 109.7 0.6 27.4 68.7 62 110 A L E - 0 0 60 -28,-2.2 24,-2.4 -2,-0.9 2,-0.3 0.861 52.8 -11.2 -83.3 -42.0 0.8 26.7 72.5 63 111 A E E -de 35 86A 27 -29,-1.2 -27,-2.7 22,-0.3 2,-0.4 -0.994 47.0-144.7-158.1 157.3 2.9 29.6 73.7 64 112 A V E -de 36 87A 0 22,-2.5 24,-3.2 -2,-0.3 2,-0.5 -0.984 22.4-139.7-123.1 138.2 5.2 32.5 72.7 65 113 A I E -de 37 88A 0 -29,-2.6 -27,-2.2 -2,-0.4 2,-0.9 -0.873 0.9-149.7-100.6 125.6 8.2 33.4 74.9 66 114 A N - 0 0 0 22,-2.8 24,-0.4 -2,-0.5 8,-0.1 -0.836 11.6-169.8 -87.6 105.0 9.0 37.1 75.4 67 115 A T S S- 0 0 0 -2,-0.9 85,-2.3 6,-0.3 2,-0.3 0.574 72.8 -3.9 -79.2 -10.7 12.8 36.8 75.8 68 116 A N S S- 0 0 0 83,-0.2 -1,-0.1 2,-0.2 25,-0.0 -0.930 79.7-100.5-158.2-178.0 12.9 40.4 77.0 69 117 A Y S S+ 0 0 4 -2,-0.3 35,-0.1 -3,-0.1 5,-0.1 0.444 80.4 115.8 -85.9 -0.3 10.4 43.3 77.4 70 118 A H S >> S- 0 0 6 1,-0.1 4,-1.7 3,-0.0 3,-1.1 -0.197 78.4-109.1 -76.1 163.1 11.4 45.1 74.2 71 119 A T H 3> S+ 0 0 4 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.798 115.4 55.3 -59.4 -35.6 9.3 45.7 71.1 72 120 A D H 34 S+ 0 0 8 1,-0.2 -32,-0.7 2,-0.2 -1,-0.3 0.726 117.7 35.2 -74.9 -17.6 11.2 43.2 68.9 73 121 A R H <4 S+ 0 0 0 -3,-1.1 -34,-2.4 -34,-0.2 -6,-0.3 0.574 133.4 24.3-106.5 -15.3 10.5 40.4 71.4 74 122 A A H >< S+ 0 0 3 -4,-1.7 3,-1.9 -36,-0.2 4,-0.2 0.426 89.1 98.1-128.0 -8.2 7.0 41.3 72.7 75 123 A G T >< S+ 0 0 4 -4,-1.8 3,-0.5 -5,-0.3 -34,-0.2 0.826 83.5 54.8 -58.4 -32.8 5.4 43.4 69.9 76 124 A G T >> S+ 0 0 0 -36,-1.8 4,-1.8 -34,-0.3 3,-1.2 0.518 76.4 106.1 -75.8 -6.4 3.5 40.5 68.5 77 125 A N H <> S+ 0 0 2 -3,-1.9 4,-2.8 1,-0.3 5,-0.3 0.806 71.0 58.1 -47.5 -43.7 1.8 39.6 71.8 78 126 A A H <> S+ 0 0 44 -3,-0.5 4,-1.8 -4,-0.2 -1,-0.3 0.898 110.1 45.4 -56.4 -41.4 -1.6 41.0 70.9 79 127 A Y H <> S+ 0 0 39 -3,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.939 111.6 50.6 -66.8 -48.3 -1.8 38.6 67.9 80 128 A W H ><>S+ 0 0 0 -4,-1.8 5,-2.1 1,-0.2 3,-0.6 0.916 112.1 47.5 -60.5 -42.0 -0.5 35.5 69.8 81 129 A K H ><5S+ 0 0 74 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.901 106.3 59.4 -62.5 -38.8 -3.1 36.1 72.6 82 130 A S H 3<5S+ 0 0 88 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.730 105.8 46.7 -65.0 -25.0 -5.8 36.5 70.0 83 131 A I T <<5S- 0 0 57 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.325 125.4 -99.8 -99.5 9.8 -5.2 33.0 68.6 84 133 A G T < 5S+ 0 0 63 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.548 73.8 144.2 89.9 3.4 -5.1 31.4 72.2 85 134 A A < - 0 0 3 -5,-2.1 -1,-0.3 -6,-0.2 -22,-0.3 -0.607 50.2-123.2 -77.5 137.3 -1.4 31.2 72.6 86 135 A K E -e 63 0A 110 -24,-2.4 -22,-2.5 -2,-0.3 2,-0.6 -0.482 16.6-135.1 -71.0 148.5 -0.0 31.8 76.1 87 136 A V E -e 64 0A 0 -24,-0.2 38,-2.0 35,-0.1 37,-1.9 -0.963 27.2-164.4-109.7 117.0 2.6 34.6 76.5 88 137 A V E +ef 65 125A 2 -24,-3.2 -22,-2.8 -2,-0.6 2,-0.3 -0.832 21.1 136.8-111.8 136.0 5.4 33.4 78.7 89 138 A S E - f 0 126A 0 36,-2.1 38,-2.7 -2,-0.4 2,-0.1 -0.955 50.4 -83.9-156.7 175.9 8.2 35.4 80.4 90 139 A T E > - f 0 127A 13 -24,-0.4 4,-2.2 -2,-0.3 38,-0.2 -0.474 43.7-109.3 -77.7 161.2 10.1 35.7 83.6 91 140 A R H > S+ 0 0 123 36,-2.6 4,-2.8 1,-0.2 5,-0.2 0.929 120.2 52.6 -50.2 -49.6 8.7 37.8 86.5 92 141 A Q H > S+ 0 0 62 35,-0.3 4,-2.8 1,-0.2 5,-0.2 0.904 107.1 50.1 -60.4 -44.9 11.4 40.4 85.8 93 142 A T H > S+ 0 0 0 57,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 112.8 47.2 -60.0 -44.0 10.5 40.8 82.1 94 143 A R H X S+ 0 0 59 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 112.3 50.2 -62.0 -45.9 6.8 41.2 83.0 95 144 A D H X S+ 0 0 73 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.925 113.3 45.2 -58.5 -47.2 7.6 43.7 85.7 96 145 A L H X S+ 0 0 32 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.871 111.4 52.8 -67.7 -37.9 9.8 45.8 83.3 97 146 A M H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.932 107.9 51.6 -62.5 -43.9 7.3 45.6 80.5 98 147 A K H < S+ 0 0 143 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.918 121.0 32.8 -58.2 -44.4 4.5 46.9 82.9 99 148 A S H < S+ 0 0 79 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.852 130.7 29.4 -81.1 -35.8 6.7 49.9 83.9 100 149 A D H X S+ 0 0 38 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.338 81.0 103.0-116.0 4.5 8.6 50.6 80.7 101 150 A W H X S+ 0 0 17 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.927 85.5 51.4 -57.9 -47.3 6.6 49.6 77.7 102 151 A A H > S+ 0 0 80 1,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.905 111.1 49.8 -53.9 -43.6 5.6 53.2 76.8 103 152 A E H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 112.1 45.3 -63.5 -45.6 9.3 54.1 77.0 104 153 A I H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.872 112.6 51.2 -71.8 -34.0 10.5 51.3 74.7 105 154 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.946 112.4 47.2 -64.3 -44.2 7.7 51.9 72.2 106 155 A A H X S+ 0 0 43 -4,-2.4 4,-1.2 -5,-0.3 -2,-0.2 0.920 112.8 48.9 -61.1 -44.8 8.6 55.6 72.1 107 156 A F H X S+ 0 0 74 -4,-2.6 4,-1.1 1,-0.2 3,-0.5 0.919 110.8 50.8 -60.0 -45.4 12.3 54.8 71.7 108 157 A T H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 3,-0.4 0.910 108.8 51.4 -59.8 -42.5 11.5 52.4 68.9 109 158 A R H < S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.691 97.6 67.1 -73.1 -19.2 9.4 55.0 67.1 110 159 A K H < S+ 0 0 166 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.933 116.5 26.4 -63.0 -44.8 12.2 57.5 67.3 111 160 A G H < S+ 0 0 62 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.733 136.0 35.8 -83.5 -26.5 14.3 55.4 64.9 112 161 A L >< + 0 0 20 -4,-2.0 3,-2.7 -5,-0.2 -1,-0.2 -0.655 61.3 170.5-131.5 72.3 11.2 53.8 63.3 113 162 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.788 80.1 64.3 -57.4 -27.2 8.4 56.3 63.0 114 163 A E T 3 S+ 0 0 121 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.606 80.4 105.1 -66.9 -16.5 6.5 53.8 60.8 115 164 A Y S < S- 0 0 0 -3,-2.7 -3,-0.0 -7,-0.1 -73,-0.0 -0.489 79.7-109.7 -71.1 135.8 6.3 51.5 63.8 116 165 A P - 0 0 45 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 -0.306 18.3-116.2 -70.2 150.2 2.9 51.4 65.4 117 166 A D - 0 0 115 -8,-0.0 -15,-0.0 -2,-0.0 -11,-0.0 -0.622 46.9-161.7 -81.5 81.9 2.0 52.8 68.8 118 167 A L - 0 0 23 -2,-1.7 -13,-0.1 1,-0.1 3,-0.1 -0.467 12.8-124.6 -77.6 131.8 1.2 49.4 70.3 119 168 A P - 0 0 102 0, 0.0 -41,-0.2 0, 0.0 2,-0.1 -0.358 41.8 -86.9 -62.9 152.8 -0.8 49.1 73.5 120 169 A L - 0 0 75 -22,-0.1 2,-0.4 -43,-0.0 -22,-0.0 -0.377 43.5-179.8 -59.4 131.7 0.7 47.1 76.4 121 170 A V - 0 0 31 -2,-0.1 -44,-0.1 -3,-0.1 -43,-0.1 -0.911 17.4-153.9-135.8 106.5 0.0 43.3 76.3 122 171 A L - 0 0 47 -2,-0.4 -35,-0.1 1,-0.1 -28,-0.1 -0.456 23.5 -97.1 -84.3 153.0 1.6 41.6 79.3 123 172 A P - 0 0 9 0, 0.0 -35,-0.2 0, 0.0 -1,-0.1 -0.370 28.7-162.6 -58.1 144.7 2.8 38.0 79.6 124 173 A N S S+ 0 0 77 -37,-1.9 2,-0.4 1,-0.2 -36,-0.2 0.353 78.4 58.8-116.7 2.1 0.2 35.8 81.2 125 174 A V E S-f 88 0A 45 -38,-2.0 -36,-2.1 -35,-0.1 2,-0.5 -0.941 75.4-176.2-126.2 106.7 2.4 32.9 82.2 126 175 A V E -f 89 0A 45 -2,-0.4 2,-0.4 -38,-0.2 -36,-0.2 -0.921 10.7-153.1-119.5 121.7 5.1 34.4 84.5 127 176 A H E -f 90 0A 54 -38,-2.7 -36,-2.6 -2,-0.5 -35,-0.3 -0.773 13.6-153.4-103.3 134.1 8.0 32.4 85.9 128 177 A D S S- 0 0 127 -2,-0.4 2,-0.2 -38,-0.2 -1,-0.1 0.729 82.4 -3.6 -70.1 -26.3 9.9 33.1 89.1 129 178 A G S S- 0 0 39 1,-0.3 -38,-0.1 -38,-0.0 -2,-0.1 -0.533 109.5 -30.7-140.2-153.4 13.0 31.4 87.8 130 179 A D - 0 0 103 -2,-0.2 -1,-0.3 12,-0.1 2,-0.3 -0.291 64.0-173.1 -68.0 159.4 14.3 29.5 84.9 131 180 A F E -G 140 0B 13 9,-2.0 9,-2.8 -4,-0.1 2,-0.3 -0.989 16.2-142.3-156.0 157.8 11.7 27.3 83.1 132 181 A T E -G 139 0B 65 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.878 9.4-171.1-125.6 160.0 11.3 24.7 80.4 133 182 A L E >>> +G 138 0B 26 5,-2.5 5,-1.9 -2,-0.3 4,-0.6 -0.835 64.7 43.0-133.6 173.1 8.7 24.0 77.7 134 183 A Q G >45S- 0 0 29 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.905 133.0 -55.3 53.9 48.2 8.2 21.0 75.3 135 184 A E G 345S- 0 0 162 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.852 110.0 -46.7 53.9 39.3 8.9 18.4 78.0 136 185 A G G <45S+ 0 0 11 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.435 116.2 109.6 88.6 1.4 12.3 19.9 78.8 137 186 A K T <<5S+ 0 0 77 -3,-1.5 2,-0.5 -4,-0.6 21,-0.2 0.576 75.8 51.8 -87.5 -10.8 13.4 20.3 75.1 138 187 A V E > - I 0 161B 0 5,-2.8 5,-1.6 -2,-0.4 4,-1.2 -0.918 12.8-171.3-116.1 90.5 17.6 23.5 72.8 157 209 A P T 45S+ 0 0 38 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.893 79.9 52.5 -61.9 -36.1 19.6 20.5 74.4 158 210 A D T 45S+ 0 0 89 -21,-0.2 -21,-0.0 1,-0.2 -2,-0.0 0.899 121.9 31.0 -63.0 -39.0 18.8 17.8 71.8 159 211 A E T 45S- 0 0 22 -3,-0.2 -1,-0.2 2,-0.1 39,-0.2 0.433 102.5-129.6 -98.1 -10.5 20.0 20.0 68.9 160 215 A Q T <5 + 0 0 56 -4,-1.2 38,-2.6 -3,-0.3 39,-2.1 0.923 57.4 147.6 57.0 44.2 22.8 22.0 71.0 161 216 A V E < -Ij 156 199B 1 -5,-1.6 -5,-2.8 37,-0.2 2,-0.5 -0.951 34.4-161.2-111.5 132.3 21.3 25.3 69.7 162 217 A L E -Ij 155 200B 0 37,-2.6 39,-2.7 -2,-0.4 2,-0.6 -0.970 13.0-141.7-111.2 125.0 21.4 28.4 71.9 163 218 A Y E -Ij 154 201B 0 -9,-3.6 -9,-1.2 -2,-0.5 39,-0.1 -0.773 11.1-161.5 -81.3 121.2 19.1 31.3 71.0 164 219 A G >> - 0 0 0 37,-3.0 4,-1.6 -2,-0.6 3,-1.3 0.535 14.4-164.6 -83.8 -9.8 21.1 34.4 71.7 165 220 A N T 34 - 0 0 0 36,-0.3 38,-1.2 1,-0.3 3,-0.5 -0.137 64.5 -40.0 57.6-157.5 18.2 36.8 71.9 166 221 A C T 34 S+ 0 0 0 1,-0.2 -1,-0.3 37,-0.2 3,-0.1 0.519 134.7 77.3 -73.5 -1.6 19.3 40.5 71.6 167 222 A I T <4 S+ 0 0 2 -3,-1.3 2,-0.4 -15,-0.2 -2,-0.2 0.882 94.0 42.1 -78.2 -40.5 22.3 39.5 73.8 168 223 A L S < S+ 0 0 0 -4,-1.6 35,-2.1 -3,-0.5 36,-0.4 -0.945 73.0 122.1-116.6 131.2 24.4 37.8 71.1 169 224 A K - 0 0 7 -2,-0.4 36,-0.1 44,-0.3 -3,-0.0 -0.932 63.7-100.0-172.2 174.5 24.8 39.2 67.6 170 225 A E S S+ 0 0 57 34,-0.4 2,-0.3 -2,-0.3 35,-0.1 0.884 97.8 56.4 -82.8 -39.2 27.5 40.3 65.1 171 226 A K S S- 0 0 143 1,-0.1 33,-0.0 -3,-0.1 46,-0.0 -0.720 83.5-120.6 -94.1 158.6 27.3 44.0 65.5 172 231 A L + 0 0 61 -2,-0.3 -1,-0.1 1,-0.1 52,-0.0 0.914 59.9 163.4 -58.0 -44.6 27.7 46.2 68.9 173 232 A G + 0 0 54 2,-0.0 2,-0.4 -3,-0.0 -1,-0.1 -0.295 40.3 3.0 70.3-150.3 24.2 47.5 68.2 174 233 A N + 0 0 52 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.606 50.2 166.0 -81.3 120.9 21.9 49.3 70.7 175 234 A L > + 0 0 47 -2,-0.4 3,-1.1 1,-0.1 5,-0.2 0.258 46.0 107.8-112.9 11.0 23.4 50.0 74.2 176 235 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 3,-0.1 -28,-0.1 0.718 93.4 27.7 -65.9 -23.2 20.8 52.5 75.4 177 236 A F T 3 S+ 0 0 30 -30,-0.3 -1,-0.3 -3,-0.1 -31,-0.1 0.284 102.0 118.4-115.7 7.1 19.2 50.0 77.8 178 237 A A < - 0 0 23 -3,-1.1 2,-0.9 -30,-0.1 -31,-0.2 -0.370 63.2-139.6 -85.7 150.3 22.4 47.9 78.4 179 238 A D > - 0 0 72 -33,-2.6 4,-1.9 -31,-0.2 -31,-0.1 -0.870 27.0-174.7 -99.3 92.3 24.4 47.3 81.5 180 239 A V T 4 S+ 0 0 52 -2,-0.9 -1,-0.2 1,-0.2 44,-0.1 0.863 78.5 47.0 -65.6 -36.7 27.7 47.6 79.8 181 240 A K T > S+ 0 0 177 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.868 115.7 44.9 -71.6 -36.7 29.8 46.6 82.8 182 241 A A H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.769 94.1 83.5 -74.2 -25.6 27.6 43.5 83.6 183 242 A Y H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 5,-0.2 0.892 94.0 40.2 -51.5 -55.5 27.4 42.4 80.0 184 243 A P H > S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.837 113.0 57.0 -66.2 -28.5 30.7 40.5 79.9 185 244 A Q H X S+ 0 0 109 -4,-0.5 4,-2.3 -3,-0.3 -2,-0.2 0.906 108.0 47.7 -64.0 -41.6 30.0 39.1 83.4 186 245 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -41,-0.3 -1,-0.2 0.912 110.8 50.7 -62.9 -44.0 26.8 37.7 82.1 187 246 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.878 111.1 49.2 -64.4 -34.3 28.5 36.2 79.1 188 247 A E H X S+ 0 0 86 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.895 108.8 51.9 -71.6 -38.2 31.1 34.6 81.4 189 248 A R H X S+ 0 0 114 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.918 111.0 50.2 -60.0 -43.0 28.3 33.2 83.6 190 249 A L H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.2 5,-0.4 0.944 110.9 46.8 -56.3 -53.2 26.8 31.7 80.4 191 250 A K H >< S+ 0 0 62 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.835 103.4 64.3 -62.4 -32.0 30.1 30.2 79.3 192 251 A A H 3< S+ 0 0 72 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.678 88.5 69.2 -65.3 -19.0 30.6 28.8 82.9 193 252 A M T << S- 0 0 83 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.682 93.5-146.9 -70.5 -18.4 27.5 26.6 82.4 194 253 A K < - 0 0 181 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.863 25.8-178.5 51.7 43.9 29.5 24.6 79.8 195 254 A L - 0 0 41 -5,-0.4 2,-0.6 1,-0.1 -1,-0.2 -0.507 36.2-111.1 -69.0 135.3 26.5 23.9 77.7 196 255 A P + 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.617 48.8 177.9 -64.7 112.4 27.1 21.7 74.7 197 256 A I + 0 0 27 -2,-0.6 -36,-0.2 1,-0.1 -37,-0.1 -0.976 27.0 160.9-127.8 117.2 26.6 24.3 71.9 198 257 A K S S+ 0 0 136 -38,-2.6 2,-0.4 -2,-0.5 -37,-0.2 0.730 76.2 28.5 -93.1 -34.7 27.0 23.6 68.2 199 258 A T E -j 161 0B 35 -39,-2.1 -37,-2.6 11,-0.2 2,-0.4 -0.994 58.2-165.9-136.0 133.2 25.0 26.6 67.0 200 259 A V E -jK 162 209B 0 9,-2.6 9,-1.9 -2,-0.4 2,-0.7 -0.982 15.5-148.6-113.2 129.5 24.2 30.0 68.4 201 260 A I E -jK 163 208B 0 -39,-2.7 -37,-3.0 -2,-0.4 -36,-0.3 -0.898 15.3-140.9 -97.6 114.5 21.4 32.0 66.7 202 261 A G - 0 0 0 5,-2.0 -33,-0.2 -2,-0.7 -36,-0.1 -0.520 6.7-138.0 -72.4 142.7 22.1 35.7 66.9 203 262 A G S S+ 0 0 0 -35,-2.1 -179,-2.2 -38,-1.2 2,-0.3 0.575 87.1 21.8 -80.8 -11.2 19.0 37.9 67.6 204 263 A H S S+ 0 0 23 -36,-0.4 -34,-0.4 -181,-0.2 -181,-0.1 -0.907 111.6 23.7-142.7 171.1 20.1 40.4 65.0 205 264 A D S S- 0 0 33 -183,-0.4 -3,-0.0 -2,-0.3 0, 0.0 -0.234 119.8 -7.6 63.0-160.4 22.4 40.4 61.9 206 265 A S S S- 0 0 70 1,-0.1 -4,-0.3 2,-0.1 -2,-0.2 -0.508 70.1-148.5 -69.0 127.5 23.0 37.0 60.2 207 266 A P + 0 0 21 0, 0.0 -5,-2.0 0, 0.0 2,-0.5 0.885 67.6 83.2 -67.6 -41.7 21.4 34.3 62.4 208 267 A L E +K 201 0B 116 -7,-0.2 2,-0.3 -9,-0.1 -7,-0.2 -0.558 54.8 137.5 -84.3 117.3 23.7 31.2 61.9 209 289 A H E -K 200 0B 48 -9,-1.9 -9,-2.6 -2,-0.5 -11,-0.0 -0.903 44.7-117.6-143.6 168.9 26.9 31.1 64.1 210 290 A G > - 0 0 11 -2,-0.3 3,-2.0 -11,-0.3 4,-0.2 -0.355 52.4 -81.0 -91.3-176.3 28.9 28.8 66.2 211 291 A P T >> S+ 0 0 52 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.722 119.5 78.6 -60.5 -22.5 29.6 29.0 69.9 212 292 A E H 3> S+ 0 0 109 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.650 71.0 81.3 -61.7 -16.5 32.4 31.6 69.2 213 293 A L H <> S+ 0 0 4 -3,-2.0 4,-2.4 1,-0.2 -44,-0.3 0.833 87.2 58.6 -57.9 -30.0 29.7 34.3 68.7 214 294 A I H <> S+ 0 0 9 -3,-1.8 4,-2.3 -4,-0.2 -1,-0.2 0.960 109.8 40.6 -62.6 -50.6 29.7 34.5 72.5 215 295 A D H X S+ 0 0 85 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.841 111.6 58.8 -67.5 -34.1 33.4 35.4 72.5 216 296 A H H X S+ 0 0 80 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.958 111.8 38.6 -56.6 -53.9 32.9 37.7 69.5 217 297 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.891 111.9 58.4 -69.5 -37.4 30.3 39.8 71.2 218 298 A E H X S+ 0 0 5 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.926 106.7 48.5 -56.3 -44.5 32.2 39.7 74.6 219 299 A A H X S+ 0 0 63 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.926 112.6 49.3 -63.0 -42.0 35.3 41.2 72.9 220 300 A L H < S+ 0 0 63 -4,-1.8 3,-0.5 1,-0.2 4,-0.5 0.908 111.1 47.2 -62.6 -45.3 33.1 44.0 71.3 221 301 A I H < S+ 0 0 3 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.796 106.3 57.8 -73.6 -27.5 31.3 45.0 74.5 222 302 A K H < S+ 0 0 136 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.770 109.1 47.2 -69.0 -25.8 34.5 45.1 76.5 223 303 A A < 0 0 87 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.503 360.0 360.0 -90.4 -8.3 35.8 47.7 74.0 224 304 A A 0 0 72 -4,-0.5 -3,-0.0 -3,-0.5 -4,-0.0 -0.318 360.0 360.0 -65.7 360.0 32.6 49.8 74.0