==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-09 2X02 . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-10; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.VERCHEVAL,F.KERFF,E.SAUVAGE,R.HERMAN,M.GALLENI,P.CHARLIER . 492 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 22 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 2 2 3 0 0 0 5 3 4 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 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 . 3 3 3 1 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 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 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 21 A S 0 0 110 0, 0.0 30,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.8 18.2 3.5 81.2 2 22 A I E -a 31 0A 54 28,-0.2 2,-0.4 22,-0.0 30,-0.2 -0.995 360.0-161.4-131.6 124.9 14.5 2.9 81.1 3 23 A T E -a 32 0A 79 28,-2.7 30,-2.2 -2,-0.4 2,-0.3 -0.920 17.1-126.2-115.0 135.4 12.0 5.4 82.5 4 24 A E E -a 33 0A 97 -2,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.624 15.9-168.7 -85.1 136.6 8.3 4.6 83.3 5 25 A N > - 0 0 49 28,-3.2 3,-1.2 -2,-0.3 4,-0.3 -0.892 2.8-172.1-121.7 92.3 5.5 6.7 81.9 6 26 A T G > S+ 0 0 102 -2,-0.5 3,-1.6 1,-0.2 4,-0.2 0.751 76.9 69.7 -49.1 -36.8 2.4 5.6 83.8 7 27 A S G > S+ 0 0 57 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.767 84.3 69.3 -63.8 -29.3 0.0 7.6 81.6 8 28 A W G X> S+ 0 0 9 -3,-1.2 3,-1.4 1,-0.3 4,-0.5 0.770 82.1 75.3 -59.3 -25.4 0.6 5.2 78.7 9 29 A N H X> S+ 0 0 60 -3,-1.6 4,-2.8 -4,-0.3 3,-0.9 0.735 77.9 75.6 -59.7 -20.1 -1.3 2.5 80.6 10 30 A K H <> S+ 0 0 126 -3,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.857 91.0 54.3 -62.2 -33.7 -4.5 4.3 79.8 11 31 A E H <4 S+ 0 0 39 -3,-1.4 -1,-0.3 -4,-0.3 4,-0.2 0.730 113.8 41.9 -71.3 -24.9 -4.3 3.0 76.2 12 32 A F H X<>S+ 0 0 5 -3,-0.9 5,-2.3 -4,-0.5 3,-1.1 0.861 110.1 54.1 -85.5 -48.0 -4.1 -0.6 77.6 13 33 A S H ><5S+ 0 0 92 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.881 100.7 62.2 -55.3 -41.7 -6.7 -0.4 80.4 14 34 A A T 3<5S+ 0 0 78 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.818 115.5 32.2 -53.8 -32.2 -9.2 0.8 77.8 15 35 A E T < 5S- 0 0 81 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.341 108.4-119.6-107.5 4.8 -8.8 -2.5 76.0 16 36 A A T < 5 + 0 0 91 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.894 60.3 158.7 48.0 48.1 -8.1 -4.7 79.1 17 37 A V < - 0 0 16 -5,-2.3 2,-0.6 -6,-0.0 -1,-0.2 -0.848 39.9-149.9-102.1 132.6 -4.8 -5.6 77.6 18 38 A N + 0 0 113 -2,-0.4 202,-2.8 202,-0.3 2,-0.3 -0.912 53.1 107.5 -92.0 115.3 -1.7 -6.9 79.5 19 39 A G E -B 219 0A 8 -2,-0.6 2,-0.4 200,-0.3 200,-0.3 -0.971 54.2-117.5-171.0-178.4 1.3 -5.6 77.5 20 40 A V E -B 218 0A 0 198,-2.5 198,-2.5 -2,-0.3 2,-0.4 -0.997 8.0-162.1-142.7 144.0 4.2 -3.3 77.2 21 41 A F E -B 217 0A 0 -2,-0.4 13,-1.1 196,-0.2 2,-0.4 -0.992 7.2-169.7-121.9 134.8 5.4 -0.5 74.9 22 42 A V E -BC 216 33A 0 194,-2.2 194,-2.2 -2,-0.4 2,-0.4 -0.996 7.7-179.6-123.2 127.9 9.1 0.6 74.8 23 43 A L E -BC 215 32A 9 9,-2.5 9,-2.6 -2,-0.4 2,-0.4 -0.996 3.2-173.0-135.1 124.7 9.9 3.8 72.9 24 44 A a E -BC 214 31A 0 190,-2.8 190,-2.5 -2,-0.4 2,-0.5 -0.979 13.3-147.0-126.7 124.6 13.4 5.3 72.5 25 45 A K E S-B 213 0A 95 5,-1.0 2,-2.1 -2,-0.4 188,-0.2 -0.796 77.7 -19.0 -90.4 130.3 14.3 8.6 70.9 26 46 A S S S+ 0 0 57 186,-3.1 2,-0.3 -2,-0.5 -1,-0.1 -0.208 131.4 6.4 75.8 -47.8 17.7 8.8 69.2 27 47 A S S > S- 0 0 32 -2,-2.1 3,-1.3 3,-0.3 187,-0.1 -0.976 76.1-101.6-157.9 166.7 19.2 5.8 70.8 28 48 A S T 3 S+ 0 0 24 -2,-0.3 3,-0.3 1,-0.2 120,-0.1 0.429 107.2 79.6 -71.7 -0.6 18.5 2.8 73.1 29 49 A K T 3 S+ 0 0 171 1,-0.3 2,-0.4 -4,-0.1 -1,-0.2 0.645 95.3 46.5 -81.7 -14.3 20.2 4.7 76.0 30 50 A S S < S+ 0 0 61 -3,-1.3 -5,-1.0 -5,-0.2 2,-0.3 -0.798 78.0 159.3-128.9 86.8 17.0 6.8 76.5 31 51 A a E -aC 2 24A 5 -30,-2.0 -28,-2.7 -2,-0.4 2,-0.3 -0.866 22.7-160.1-113.2 148.4 13.9 4.6 76.6 32 52 A A E +aC 3 23A 21 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.3 -0.901 16.3 170.8-115.6 152.1 10.4 5.1 78.0 33 53 A T E -aC 4 22A 0 -30,-2.2 -28,-3.2 -2,-0.3 -11,-0.2 -0.990 42.5-127.4-153.5 157.0 7.9 2.5 78.8 34 54 A N S S+ 0 0 3 -13,-1.1 2,-0.3 -2,-0.3 -25,-0.1 0.677 102.9 27.3 -75.5 -18.8 4.5 1.9 80.5 35 55 A D > - 0 0 57 -14,-0.4 4,-2.3 1,-0.1 -1,-0.2 -0.866 60.6-160.4-152.1 109.3 6.0 -0.9 82.7 36 56 A L H > S+ 0 0 80 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.911 94.1 47.2 -55.4 -47.6 9.6 -1.3 83.9 37 57 A A H >4 S+ 0 0 78 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.944 114.3 44.2 -65.2 -50.6 9.3 -5.0 84.7 38 58 A R H >4 S+ 0 0 27 1,-0.2 3,-1.0 2,-0.2 105,-0.4 0.820 100.5 71.1 -67.2 -28.4 7.5 -6.1 81.5 39 59 A A H 3< S+ 0 0 0 -4,-2.3 105,-2.2 1,-0.3 104,-0.4 0.844 109.9 33.3 -50.8 -36.2 9.9 -4.0 79.3 40 60 A S T << S+ 0 0 65 -3,-0.9 -1,-0.3 -4,-0.8 2,-0.2 0.390 91.9 112.3-104.6 1.5 12.6 -6.5 80.2 41 61 A K < - 0 0 124 -3,-1.0 102,-0.5 -4,-0.5 2,-0.4 -0.539 66.3-126.3 -75.1 142.0 10.6 -9.6 80.4 42 62 A E E +G 142 0B 87 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.729 30.6 175.3-101.8 139.6 11.3 -12.1 77.6 43 63 A Y E -G 141 0B 27 98,-2.7 98,-2.5 -2,-0.4 156,-0.0 -0.895 44.1 -80.6-133.7 157.2 8.8 -13.6 75.2 44 64 A L - 0 0 19 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.392 38.0-143.5 -52.6 132.4 8.8 -15.9 72.1 45 65 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.751 27.3-178.2 -74.7 -21.5 9.6 -13.6 69.2 46 66 A A G > S- 0 0 0 88,-1.7 3,-2.4 1,-0.2 4,-0.1 -0.253 70.4 -10.0 48.0-140.1 7.3 -15.4 66.7 47 67 A S G > S+ 0 0 10 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.584 120.6 81.2 -73.3 -2.3 7.6 -13.8 63.2 48 68 A T G X S+ 0 0 0 -3,-1.8 3,-1.5 1,-0.2 -1,-0.3 0.764 79.6 73.5 -62.5 -17.7 9.6 -10.9 64.5 49 69 A F G <> S+ 0 0 0 -3,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.658 72.4 83.0 -68.9 -12.6 12.4 -13.5 64.2 50 70 A X H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.775 83.2 64.3 -63.2 -23.5 12.2 -13.0 60.4 51 71 A I H <> S+ 0 0 1 -3,-1.5 4,-2.0 -4,-0.2 5,-0.2 0.994 110.4 30.6 -63.0 -63.1 14.4 -10.0 60.9 52 72 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.913 119.0 57.4 -61.5 -36.8 17.5 -11.8 62.2 53 73 A N H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.920 106.6 48.4 -63.2 -36.4 16.7 -14.9 60.1 54 74 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.912 112.8 48.4 -68.6 -41.8 16.7 -12.8 56.9 55 75 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.949 113.7 46.0 -61.8 -46.0 20.1 -11.2 57.8 56 76 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 6,-0.3 0.901 109.9 54.4 -62.0 -43.3 21.5 -14.6 58.7 57 77 A G H X>S+ 0 0 0 -4,-2.8 6,-2.3 -5,-0.2 5,-0.9 0.913 113.1 43.5 -56.4 -43.6 20.1 -16.1 55.4 58 78 A L H ><5S+ 0 0 11 -4,-2.3 3,-0.9 4,-0.2 -2,-0.2 0.926 112.6 51.6 -66.9 -45.9 21.9 -13.4 53.4 59 79 A E H 3<5S+ 0 0 56 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.872 113.9 43.3 -61.2 -37.7 25.1 -13.5 55.4 60 80 A T H 3<5S- 0 0 28 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.553 111.3-119.3 -83.6 -10.4 25.4 -17.3 54.9 61 81 A G T <<5S+ 0 0 41 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.428 82.6 120.5 83.8 -2.5 24.4 -17.1 51.2 62 82 A V S - 0 0 72 -3,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.990 68.1 -82.4-167.2 170.9 20.6 -12.1 46.8 66 86 A E T 3 S+ 0 0 21 -2,-0.3 22,-0.4 1,-0.3 -1,-0.1 0.791 122.4 44.8 -52.0 -35.8 18.3 -9.2 47.2 67 87 A H T 3 S+ 0 0 51 20,-0.1 -1,-0.3 21,-0.1 336,-0.0 0.261 77.4 138.3-107.5 18.7 16.1 -10.4 44.3 68 88 A Q < - 0 0 39 -3,-1.7 2,-0.5 1,-0.1 20,-0.5 -0.288 44.0-142.1 -63.5 143.1 15.7 -14.1 44.9 69 89 A V E -H 87 0C 45 18,-0.1 2,-0.9 19,-0.1 18,-0.2 -0.929 5.0-144.9-107.3 124.5 12.3 -15.6 44.4 70 90 A F E -H 86 0C 22 16,-3.2 16,-2.2 -2,-0.5 2,-0.2 -0.813 26.3-140.6 -88.2 104.6 11.2 -18.3 46.9 71 91 A K - 0 0 145 -2,-0.9 2,-0.4 14,-0.2 14,-0.1 -0.478 2.8-130.8 -73.8 136.7 9.3 -20.6 44.6 72 92 A W - 0 0 79 -2,-0.2 13,-0.1 1,-0.1 11,-0.1 -0.745 8.2-149.9 -82.0 131.1 6.1 -22.3 45.9 73 93 A D - 0 0 111 -2,-0.4 -1,-0.1 2,-0.1 10,-0.1 0.404 40.4-112.3 -81.9 4.5 6.1 -26.1 45.2 74 94 A G S S+ 0 0 44 1,-0.3 3,-0.1 0, 0.0 -2,-0.1 0.449 77.9 128.4 77.7 2.2 2.3 -26.2 44.8 75 95 A K S S- 0 0 135 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.600 71.7 -80.6 -91.9 149.4 1.9 -28.2 48.1 76 96 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.181 46.1-168.0 -56.2 136.0 -0.5 -27.0 50.8 77 97 A R - 0 0 50 -3,-0.1 6,-0.1 2,-0.1 5,-0.1 -0.880 34.9-107.9-120.6 160.2 0.7 -24.2 53.1 78 98 A A S S+ 0 0 92 -2,-0.3 2,-0.4 4,-0.1 3,-0.1 0.609 103.9 36.9 -69.5 -14.2 -1.0 -23.1 56.3 79 99 A M S > S- 0 0 84 1,-0.1 3,-1.9 0, 0.0 4,-0.3 -0.997 73.7-136.0-135.7 137.7 -2.3 -19.8 54.8 80 100 A K G > S+ 0 0 180 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.860 104.9 65.8 -58.3 -34.3 -3.5 -19.2 51.3 81 101 A Q G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 15,-0.1 0.634 99.4 53.3 -63.9 -14.2 -1.5 -15.9 51.2 82 102 A W G < S+ 0 0 18 -3,-1.9 2,-1.8 1,-0.1 -1,-0.3 0.514 82.2 94.8 -93.2 -7.3 1.7 -18.1 51.4 83 103 A E S < S+ 0 0 48 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.1 -0.485 76.2 63.5 -89.9 70.6 0.7 -20.3 48.4 84 104 A R S S- 0 0 45 -2,-1.8 2,-0.1 -14,-0.1 -11,-0.1 -0.955 96.2 -74.7-174.3 160.6 2.6 -18.4 45.7 85 105 A D - 0 0 59 -2,-0.3 2,-0.4 -13,-0.1 -14,-0.2 -0.451 55.7-165.7 -63.8 144.1 6.1 -17.4 44.7 86 106 A L E -H 70 0C 3 -16,-2.2 -16,-3.2 -2,-0.1 2,-0.1 -0.984 19.3-137.9-137.1 146.2 7.4 -14.7 47.0 87 107 A T E > -H 69 0C 35 -2,-0.4 4,-2.9 370,-0.3 5,-0.2 -0.421 44.1 -97.1 -81.9 174.5 10.3 -12.2 47.1 88 108 A L H > S+ 0 0 5 -20,-0.5 4,-2.4 -22,-0.4 5,-0.2 0.939 128.3 45.0 -60.0 -49.3 12.2 -11.6 50.4 89 109 A R H > S+ 0 0 32 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.930 112.8 51.1 -61.5 -41.6 10.0 -8.5 51.1 90 110 A G H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.917 110.7 48.2 -62.5 -43.2 6.8 -10.4 50.1 91 111 A A H <>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 4,-0.3 0.884 114.9 45.4 -63.5 -38.5 7.7 -13.3 52.5 92 112 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.928 111.2 53.0 -68.2 -47.1 8.4 -10.9 55.4 93 113 A Q H 3<5S+ 0 0 38 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.858 118.2 34.3 -63.6 -35.4 5.3 -8.8 54.7 94 114 A V T 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -5,-0.2 3,-0.2 0.342 108.7-122.8 -96.7 8.0 2.9 -11.7 54.8 95 115 A S T < 5 - 0 0 20 -3,-1.1 2,-2.0 -4,-0.3 -3,-0.2 0.930 31.9-165.3 53.6 51.7 4.9 -13.6 57.4 96 116 A A >>< - 0 0 0 -5,-2.8 4,-1.4 1,-0.2 3,-1.1 -0.456 6.1-172.8 -77.2 83.1 5.4 -16.7 55.2 97 117 A V H 3> S+ 0 0 19 -2,-2.0 4,-2.5 1,-0.2 3,-0.2 0.869 76.7 56.5 -41.1 -50.9 6.6 -19.1 57.9 98 118 A P H 3> S+ 0 0 24 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.841 103.0 54.4 -65.3 -28.3 7.4 -22.0 55.5 99 119 A V H <> S+ 0 0 6 -3,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.939 114.1 41.6 -61.4 -46.1 9.8 -19.9 53.4 100 120 A F H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.2 -1,-0.2 0.799 107.4 62.0 -77.2 -22.2 11.7 -19.0 56.6 101 121 A Q H X S+ 0 0 42 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.911 107.3 44.5 -63.6 -43.9 11.5 -22.5 57.9 102 122 A Q H X S+ 0 0 87 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.917 111.4 52.9 -70.3 -37.4 13.5 -23.7 54.9 103 123 A I H X S+ 0 0 5 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.949 110.8 48.2 -55.2 -50.4 16.0 -20.8 55.3 104 124 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.919 109.8 51.6 -60.2 -42.1 16.5 -21.9 58.9 105 125 A R H < S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.5 45.4 -60.3 -43.6 17.0 -25.5 58.0 106 126 A E H < S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.8 53.0 -71.5 -34.7 19.6 -24.6 55.4 107 127 A V H < S- 0 0 4 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.965 103.7-158.0 -58.2 -46.8 21.4 -22.2 57.8 108 128 A G X - 0 0 20 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.113 27.2 -76.5 83.8 160.4 21.5 -25.1 60.3 109 129 A E H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.890 123.6 52.5 -63.0 -44.2 21.8 -25.2 64.1 110 130 A V H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.957 116.1 38.4 -60.1 -52.1 25.6 -24.4 64.3 111 131 A R H > S+ 0 0 98 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.904 114.0 54.8 -68.1 -38.1 25.4 -21.3 62.2 112 132 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.936 109.8 47.9 -58.4 -44.5 22.1 -20.1 63.7 113 133 A Q H X S+ 0 0 71 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.912 110.5 52.9 -60.9 -44.0 23.5 -20.4 67.3 114 134 A K H X S+ 0 0 107 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.930 111.1 44.6 -59.7 -47.5 26.6 -18.5 66.2 115 135 A Y H X S+ 0 0 26 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.885 109.4 54.0 -70.2 -37.5 24.7 -15.6 64.7 116 136 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 4,-0.3 0.874 110.1 50.2 -64.9 -31.6 22.3 -15.2 67.6 117 137 A K H ><5S+ 0 0 136 -4,-2.1 3,-2.1 -5,-0.2 -2,-0.2 0.975 111.1 47.6 -60.2 -56.0 25.3 -15.0 69.9 118 138 A K H 3<5S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.836 114.8 46.4 -54.4 -36.1 26.9 -12.3 67.7 119 139 A F T 3<5S- 0 0 11 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.430 103.4-130.6 -86.0 -2.9 23.6 -10.4 67.6 120 140 A S T < 5 - 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0 0 16 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.2 -0.913 44.2-148.6-115.4 135.6 -2.5 17.1 28.7 266 38 B N + 0 0 117 -2,-0.4 202,-2.6 202,-0.3 2,-0.3 -0.908 54.1 108.2 -94.6 115.1 0.2 16.5 26.1 267 39 B G E -K 467 0E 6 -2,-0.6 2,-0.4 200,-0.3 200,-0.3 -0.965 53.5-115.2-170.0-175.2 2.5 13.9 27.6 268 40 B V E -K 466 0E 0 198,-2.7 198,-2.3 -2,-0.3 2,-0.4 -0.996 8.5-162.8-142.1 145.9 3.8 10.3 27.6 269 41 B F E -K 465 0E 0 -2,-0.4 13,-1.1 196,-0.2 2,-0.4 -0.998 6.4-169.9-125.9 131.9 3.8 7.3 29.9 270 42 B V E -KL 464 281E 1 194,-2.3 194,-2.1 -2,-0.4 2,-0.4 -0.994 6.5-178.2-120.1 128.5 6.2 4.4 29.5 271 43 B L E -KL 463 280E 13 9,-2.5 9,-2.6 -2,-0.4 2,-0.4 -0.993 3.8-171.0-132.3 119.4 5.6 1.2 31.6 272 44 B b E -KL 462 279E 0 190,-2.9 190,-2.4 -2,-0.4 2,-0.5 -0.959 15.3-147.2-118.8 132.1 7.9 -1.8 31.4 273 45 B K E > -KL 461 278E 71 5,-3.0 5,-1.7 -2,-0.4 4,-0.4 -0.840 10.9-150.9 -94.8 125.8 7.5 -5.3 32.9 274 46 B S T > 5S+ 0 0 21 186,-2.9 3,-1.0 -2,-0.5 -1,-0.1 0.917 88.5 51.3 -65.2 -46.1 10.8 -6.8 34.0 275 47 B S T 3 5S+ 0 0 82 185,-0.3 -1,-0.2 1,-0.3 186,-0.1 0.831 117.3 36.9 -65.2 -35.4 10.0 -10.5 33.5 276 48 B S T 3 5S- 0 0 59 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.351 100.9-132.5 -97.0 4.2 8.7 -10.2 29.9 277 49 B K T < 5 + 0 0 92 -3,-1.0 -28,-0.8 -4,-0.4 2,-0.4 0.902 61.6 136.7 40.7 55.6 11.3 -7.5 29.0 278 50 B S E < -jL 249 273E 41 -5,-1.7 -5,-3.0 -30,-0.2 2,-0.3 -0.993 38.6-165.3-138.6 134.5 8.4 -5.6 27.5 279 51 B b E -jL 250 272E 5 -30,-2.4 -28,-1.5 -2,-0.4 2,-0.3 -0.847 2.0-162.9-113.2 151.0 7.4 -1.9 27.5 280 52 B A E +jL 251 271E 21 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.3 -0.958 11.1 175.2-127.5 151.2 4.2 -0.2 26.6 281 53 B T E -jL 252 270E 0 -30,-1.9 -28,-3.3 -2,-0.3 3,-0.2 -0.993 36.7-134.6-149.9 152.5 3.6 3.5 25.9 282 54 B N S S+ 0 0 2 -13,-1.1 2,-0.3 -2,-0.3 -25,-0.2 0.713 101.9 25.3 -74.4 -20.0 0.8 5.8 24.7 283 55 B D > - 0 0 51 -14,-0.4 4,-2.3 1,-0.1 -1,-0.3 -0.815 58.6-170.1-152.4 98.3 3.1 7.6 22.3 284 56 B L H > S+ 0 0 68 -2,-0.3 4,-0.9 -3,-0.2 -1,-0.1 0.867 91.5 52.2 -59.6 -39.5 6.3 6.0 20.8 285 57 B A H >> S+ 0 0 63 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.965 112.4 42.8 -62.8 -51.5 7.4 9.3 19.4 286 58 B R H >4 S+ 0 0 19 1,-0.2 3,-1.2 2,-0.2 105,-0.4 0.849 103.9 66.8 -66.8 -27.5 7.2 11.3 22.6 287 59 B A H 3< S+ 0 0 1 -4,-2.3 105,-2.0 1,-0.3 104,-0.3 0.774 106.7 42.9 -61.5 -27.6 8.7 8.3 24.6 288 60 B S H << S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.494 90.0 107.3 -94.0 -6.5 11.9 9.1 22.7 289 61 B K << - 0 0 117 -3,-1.2 102,-0.6 -4,-0.5 2,-0.4 -0.447 67.0-131.1 -71.3 148.2 11.8 12.9 23.0 290 62 B E E +P 390 0F 112 100,-0.2 2,-0.3 -2,-0.1 100,-0.3 -0.888 28.2 175.4-112.5 131.8 14.3 14.4 25.4 291 63 B Y E -P 389 0F 38 98,-2.5 98,-2.3 -2,-0.4 0, 0.0 -0.857 43.6 -79.6-131.2 159.2 13.5 16.9 28.2 292 64 B L - 0 0 27 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.378 37.9-142.5 -52.3 132.4 15.2 18.6 31.1 293 65 B P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.771 30.0 179.1 -70.9 -25.7 15.4 16.1 34.0 294 66 B A G > S- 0 0 0 88,-2.1 3,-2.5 1,-0.3 4,-0.1 -0.245 70.4 -10.2 50.4-142.7 14.7 18.8 36.6 295 67 B S G > S+ 0 0 10 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.570 121.7 80.5 -69.1 -5.4 14.6 17.1 40.1 296 68 B T G X S+ 0 0 1 -3,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.769 80.9 72.6 -63.1 -19.2 14.6 13.6 38.6 297 69 B F G <> S+ 0 0 0 -3,-2.5 4,-2.5 1,-0.3 -1,-0.3 0.649 73.4 82.0 -66.3 -15.9 18.3 14.4 38.3 298 70 B X H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.790 83.1 64.2 -61.3 -24.4 18.5 14.0 42.1 299 71 B I H <> S+ 0 0 2 -3,-1.5 4,-1.9 -4,-0.2 -1,-0.2 0.994 111.2 30.8 -63.1 -61.8 18.7 10.2 41.5 300 72 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.889 118.6 57.3 -64.2 -34.7 22.0 10.2 39.6 301 73 B N H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.919 107.1 48.4 -60.4 -40.9 23.3 13.2 41.6 302 74 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.920 112.6 48.1 -64.3 -44.6 22.8 11.3 44.9 303 75 B I H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.930 114.3 45.9 -60.5 -45.1 24.6 8.2 43.6 304 76 B I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 6,-0.3 0.910 109.7 54.9 -67.0 -42.1 27.5 10.3 42.3 305 77 B G H <>S+ 0 0 0 -4,-2.8 6,-2.2 -5,-0.2 5,-1.0 0.920 113.4 41.9 -55.0 -44.6 27.6 12.3 45.6 306 78 B L H ><5S+ 0 0 9 -4,-2.3 3,-1.1 4,-0.2 -2,-0.2 0.922 112.7 53.2 -69.2 -44.2 28.0 9.0 47.5 307 79 B E H 3<5S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.884 112.0 44.2 -60.9 -41.3 30.4 7.4 45.1 308 80 B T T 3<5S- 0 0 26 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.469 113.7-115.4 -82.1 -5.4 32.8 10.4 45.2 309 81 B G T < 5S+ 0 0 54 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.464 84.7 120.0 82.9 1.3 32.6 10.7 49.0 310 82 B V S - 0 0 38 102,-0.0 3,-1.5 -4,-0.0 -1,-0.2 -0.947 64.8 -65.1-176.1-172.1 26.3 8.1 53.9 314 86 B E T 3 S+ 0 0 20 1,-0.3 22,-0.4 -2,-0.3 23,-0.3 0.576 124.8 56.4 -74.5 -7.0 22.5 7.9 54.5 315 87 B H T 3 S+ 0 0 56 20,-0.1 -1,-0.3 21,-0.1 2,-0.1 0.452 75.7 120.4-103.9 1.1 22.8 9.3 58.0 316 88 B Q < - 0 0 55 -3,-1.5 2,-0.5 1,-0.1 20,-0.5 -0.384 56.3-142.8 -63.0 136.7 24.6 12.5 57.0 317 89 B V - 0 0 55 18,-0.1 2,-0.9 -2,-0.1 18,-0.2 -0.928 1.4-145.4-103.9 127.1 22.6 15.6 58.0 318 90 B F B -Q 334 0G 30 16,-3.4 16,-2.0 -2,-0.5 2,-0.2 -0.835 26.0-141.2 -89.6 105.7 22.6 18.5 55.6 319 91 B K - 0 0 149 -2,-0.9 2,-0.5 14,-0.2 14,-0.1 -0.488 1.1-134.5 -76.3 134.7 22.5 21.5 58.0 320 92 B W - 0 0 75 -2,-0.2 13,-0.1 1,-0.1 11,-0.1 -0.795 8.6-148.1 -84.5 130.0 20.4 24.6 57.1 321 93 B D - 0 0 104 -2,-0.5 -1,-0.1 2,-0.1 10,-0.1 0.595 39.0-110.8 -74.2 -13.8 22.4 27.8 57.8 322 94 B G S S+ 0 0 44 1,-0.4 -1,-0.1 10,-0.0 3,-0.1 0.217 77.9 129.6 98.6 -14.2 19.4 29.9 58.8 323 95 B K S S- 0 0 140 1,-0.1 -1,-0.4 0, 0.0 -2,-0.1 -0.535 71.9 -90.4 -71.8 138.9 19.6 32.0 55.6 324 96 B P - 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