==== 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 11-JUN-09 2WKI . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-10; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.VERCHEVAL,C.BAUVOIS,F.KERFF,E.SAUVAGE,R.GUIET,P.CHARLIER, . 491 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 71.3 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 . 96 19.6 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 . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 26.1 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 1 3 2 0 0 0 6 2 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 . 2 4 2 2 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 . 4 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,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.2 18.6 -3.9 44.8 2 22 A I E -a 31 0A 53 28,-0.2 2,-0.4 20,-0.0 30,-0.2 -0.995 360.0-164.9-120.8 128.9 14.9 -3.1 45.0 3 23 A T E -a 32 0A 72 28,-2.8 30,-2.3 -2,-0.4 2,-0.4 -0.925 19.0-122.3-117.0 143.1 12.3 -5.5 43.6 4 24 A E E -a 33 0A 94 -2,-0.4 2,-0.6 28,-0.2 30,-0.2 -0.651 16.6-165.4 -88.1 130.8 8.6 -4.9 42.9 5 25 A N > - 0 0 48 28,-3.7 3,-0.9 -2,-0.4 4,-0.3 -0.949 3.0-172.8-113.4 102.1 6.0 -7.1 44.6 6 26 A T G > S+ 0 0 102 -2,-0.6 3,-1.0 1,-0.2 4,-0.3 0.730 74.9 72.0 -70.2 -25.3 2.8 -6.5 42.7 7 27 A S G > S+ 0 0 74 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.641 88.1 62.4 -66.7 -19.4 0.7 -8.5 45.2 8 28 A W G X> S+ 0 0 5 -3,-0.9 3,-1.9 1,-0.2 4,-0.6 0.759 82.3 80.2 -76.4 -25.5 1.0 -5.7 47.8 9 29 A N H <> S+ 0 0 63 -3,-1.0 4,-2.7 -4,-0.3 3,-0.4 0.720 77.2 74.1 -51.9 -26.5 -0.8 -3.2 45.5 10 30 A K H <> S+ 0 0 147 -3,-0.6 4,-1.9 -4,-0.3 -1,-0.3 0.813 92.5 52.6 -54.5 -37.9 -4.2 -4.8 46.6 11 31 A E H <4 S+ 0 0 37 -3,-1.9 4,-0.3 -4,-0.2 -1,-0.2 0.821 112.5 45.3 -73.9 -30.9 -4.0 -3.2 50.0 12 32 A F H >X>S+ 0 0 6 -4,-0.6 5,-2.4 -3,-0.4 3,-1.2 0.932 114.8 44.7 -74.1 -55.0 -3.5 0.3 48.4 13 33 A S H ><5S+ 0 0 89 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.918 105.3 62.0 -62.0 -41.0 -6.2 0.0 45.7 14 34 A A T 3<5S+ 0 0 77 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.751 116.9 32.9 -52.0 -25.0 -8.7 -1.4 48.3 15 35 A E T <45S- 0 0 77 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.393 108.8-122.5-111.7 -1.0 -8.3 1.9 50.1 16 36 A A T <<5 + 0 0 85 -3,-1.5 2,-0.4 -4,-0.5 -3,-0.2 0.885 59.1 155.1 55.4 44.1 -7.7 4.1 47.0 17 37 A V < - 0 0 12 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.858 42.4-147.7-104.5 133.1 -4.4 5.2 48.5 18 38 A N + 0 0 116 -2,-0.4 202,-2.6 202,-0.3 2,-0.3 -0.914 55.2 109.4 -91.8 117.7 -1.4 6.5 46.4 19 39 A G E -B 219 0A 8 -2,-0.7 2,-0.3 200,-0.2 200,-0.3 -0.961 54.5-118.0-170.0-176.7 1.6 5.3 48.4 20 40 A V E -B 218 0A 0 198,-2.9 198,-2.4 -2,-0.3 2,-0.4 -0.999 8.3-163.4-146.6 143.6 4.5 3.0 48.8 21 41 A F E -B 217 0A 0 -2,-0.3 13,-1.0 196,-0.2 2,-0.4 -0.991 8.0-169.1-125.3 134.9 5.7 0.4 51.2 22 42 A V E +BC 216 33A 0 194,-2.4 194,-2.1 -2,-0.4 2,-0.4 -0.994 7.8 179.4-124.8 130.1 9.3 -0.8 51.3 23 43 A L E -BC 215 32A 14 9,-2.3 9,-2.7 -2,-0.4 2,-0.5 -0.995 5.7-173.4-135.8 128.4 10.3 -3.9 53.3 24 44 A a E -BC 214 31A 0 190,-2.6 190,-2.4 -2,-0.4 2,-0.4 -0.977 14.7-146.0-126.6 120.0 13.7 -5.4 53.7 25 45 A K E S-B 213 0A 107 5,-0.5 2,-2.5 -2,-0.5 5,-0.3 -0.707 78.2 -19.2 -79.8 130.2 14.4 -8.7 55.4 26 46 A S S S- 0 0 56 186,-3.7 2,-0.3 -2,-0.4 -1,-0.1 -0.200 130.6 -2.0 76.7 -49.3 17.8 -8.9 57.2 27 47 A S S > S- 0 0 37 -2,-2.5 3,-0.7 3,-0.2 187,-0.1 -0.973 75.4 -95.8-159.8 168.9 19.4 -6.0 55.5 28 48 A S T 3 S+ 0 0 39 -2,-0.3 3,-0.3 1,-0.2 120,-0.1 0.415 93.0 104.0 -73.0 1.4 19.1 -3.3 52.8 29 49 A K T 3 S+ 0 0 172 1,-0.2 2,-0.4 -4,-0.1 -1,-0.2 0.946 98.2 7.9 -42.1 -57.0 20.9 -5.7 50.4 30 50 A S S < S- 0 0 64 -3,-0.7 -5,-0.5 -5,-0.3 2,-0.3 -0.955 73.8-177.4-138.8 125.6 17.5 -6.4 48.9 31 51 A a E -aC 2 24A 6 -30,-2.2 -28,-2.8 -2,-0.4 2,-0.3 -0.744 15.3-142.9-110.6 156.9 14.2 -4.7 49.5 32 52 A A E +aC 3 23A 20 -9,-2.7 -9,-2.3 -2,-0.3 2,-0.3 -0.897 24.0 171.1-114.8 150.9 10.8 -5.4 48.1 33 53 A T E -aC 4 22A 0 -30,-2.3 -28,-3.7 -2,-0.3 3,-0.2 -0.983 42.3-130.8-151.2 159.4 8.2 -2.7 47.3 34 54 A N S S+ 0 0 5 -13,-1.0 2,-0.3 -2,-0.3 -25,-0.1 0.640 103.5 30.8 -77.6 -18.1 4.8 -2.2 45.6 35 55 A D > - 0 0 55 -14,-0.4 4,-2.4 1,-0.1 -1,-0.2 -0.834 60.3-166.0-151.3 103.7 6.2 0.7 43.5 36 56 A L H > S+ 0 0 78 -2,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.859 92.8 46.8 -57.1 -42.4 9.9 1.1 42.3 37 57 A A H >4 S+ 0 0 78 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.972 115.2 43.6 -67.9 -52.8 9.6 4.7 41.4 38 58 A R H >4 S+ 0 0 20 1,-0.3 3,-0.9 2,-0.2 105,-0.4 0.809 100.1 71.5 -64.3 -32.5 7.8 5.9 44.5 39 59 A A H 3< S+ 0 0 0 -4,-2.4 105,-2.2 1,-0.3 104,-0.4 0.850 109.3 34.0 -48.3 -39.6 10.2 3.8 46.7 40 60 A S T << S+ 0 0 64 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.3 0.386 91.7 114.5-104.9 3.2 13.0 6.3 45.9 41 61 A K < - 0 0 119 -3,-0.9 102,-0.5 -4,-0.5 2,-0.4 -0.570 64.5-129.9 -69.5 137.6 10.8 9.5 45.7 42 62 A E E +G 142 0B 86 -2,-0.3 2,-0.3 100,-0.2 100,-0.3 -0.755 29.7 175.0 -99.0 131.7 11.7 11.9 48.4 43 63 A Y E -G 141 0B 20 98,-2.7 98,-2.4 -2,-0.4 0, 0.0 -0.891 44.5 -79.5-129.4 159.2 9.0 13.5 50.7 44 64 A L - 0 0 19 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.321 38.3-145.0 -51.0 130.9 9.0 15.8 53.7 45 65 A P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.795 28.0 177.4 -74.9 -25.6 9.9 13.6 56.7 46 66 A A G > S- 0 0 1 88,-1.6 3,-2.6 1,-0.3 4,-0.2 -0.225 71.6 -6.6 47.7-137.2 7.6 15.5 59.2 47 67 A S G > S+ 0 0 12 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.606 120.7 78.3 -73.0 -1.2 7.8 13.8 62.6 48 68 A T G X S+ 0 0 0 -3,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.765 81.8 74.5 -65.9 -17.5 9.8 10.8 61.3 49 69 A F G <> S+ 0 0 0 -3,-2.6 4,-2.6 1,-0.3 -1,-0.3 0.652 72.0 83.7 -64.8 -14.2 12.6 13.4 61.7 50 70 A C H <> S+ 0 0 1 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.766 82.8 62.0 -58.1 -25.5 12.3 12.9 65.4 51 71 A I H <> S+ 0 0 1 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.990 110.9 32.6 -72.4 -60.2 14.6 9.9 65.0 52 72 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.896 117.8 57.5 -60.8 -37.6 17.7 11.8 63.7 53 73 A N H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.915 107.7 46.4 -56.7 -42.9 16.8 14.9 65.8 54 74 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.900 113.1 49.6 -68.7 -40.3 16.8 12.8 69.1 55 75 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.962 114.0 44.8 -63.5 -48.0 20.2 11.2 68.1 56 76 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 6,-0.3 0.867 110.4 54.6 -61.8 -39.9 21.7 14.6 67.3 57 77 A G H <>S+ 0 0 0 -4,-2.6 6,-2.6 -5,-0.2 5,-1.0 0.918 113.9 42.7 -61.3 -41.1 20.3 16.1 70.5 58 78 A L H ><5S+ 0 0 10 -4,-2.2 3,-0.8 4,-0.2 -2,-0.2 0.907 113.1 51.0 -67.0 -44.8 22.0 13.3 72.5 59 79 A E H 3<5S+ 0 0 52 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.842 112.9 45.0 -66.1 -38.6 25.3 13.4 70.6 60 80 A T T 3<5S- 0 0 27 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.501 113.1-115.5 -83.6 -6.2 25.7 17.2 71.0 61 81 A G T < 5S+ 0 0 49 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.488 84.8 120.1 83.2 3.0 24.7 17.1 74.7 62 82 A V S S- 0 0 65 -3,-0.1 3,-1.9 99,-0.0 -1,-0.1 -0.956 72.1 -63.5-173.6-175.0 21.0 11.6 78.8 66 86 A E T 3 S+ 0 0 21 1,-0.3 22,-0.4 -2,-0.3 -2,-0.0 0.715 127.0 53.4 -61.2 -24.5 18.2 8.9 78.5 67 87 A H T 3 S+ 0 0 54 20,-0.1 -1,-0.3 21,-0.1 2,-0.0 0.261 75.2 136.8 -98.4 9.9 16.4 10.3 81.6 68 88 A Q < - 0 0 37 -3,-1.9 20,-0.6 1,-0.1 2,-0.5 -0.348 42.6-150.8 -54.3 130.7 16.2 13.9 80.4 69 89 A V E -H 87 0C 41 18,-0.2 2,-0.9 19,-0.1 18,-0.2 -0.938 5.7-143.7-105.6 131.6 12.7 15.3 81.1 70 90 A F E -H 86 0C 28 16,-3.8 16,-2.5 -2,-0.5 2,-0.2 -0.864 25.4-144.3 -98.2 106.8 11.5 18.0 78.7 71 91 A K - 0 0 150 -2,-0.9 2,-0.5 14,-0.2 14,-0.1 -0.519 4.9-127.9 -80.9 138.8 9.6 20.3 81.0 72 92 A W - 0 0 84 -2,-0.2 13,-0.1 1,-0.1 11,-0.1 -0.754 8.8-151.4 -85.4 129.4 6.4 22.1 80.0 73 93 A D - 0 0 110 -2,-0.5 -1,-0.1 2,-0.1 10,-0.0 0.374 43.2-108.4 -83.2 2.1 6.6 25.9 80.6 74 94 A G S S+ 0 0 47 1,-0.3 3,-0.1 10,-0.0 -1,-0.1 0.353 79.2 127.8 90.2 -4.7 2.8 26.2 81.0 75 95 A K S S- 0 0 143 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.521 70.6 -83.5 -92.2 150.8 2.4 28.0 77.7 76 96 A P - 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.242 45.0-168.8 -57.6 133.8 -0.1 26.9 75.0 77 97 A R - 0 0 43 2,-0.1 6,-0.1 -3,-0.1 5,-0.1 -0.862 36.4-105.1-119.3 159.8 1.1 24.2 72.6 78 98 A A S S+ 0 0 95 -2,-0.3 2,-0.4 4,-0.1 3,-0.1 0.738 105.7 34.0 -63.5 -26.4 -0.6 23.1 69.4 79 99 A M S > S- 0 0 90 1,-0.1 3,-1.7 0, 0.0 4,-0.3 -0.984 74.9-134.2-125.1 141.7 -2.0 19.8 70.9 80 100 A K G > S+ 0 0 182 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.871 104.9 65.6 -58.1 -36.1 -3.2 19.3 74.5 81 101 A Q G 3 S+ 0 0 85 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.633 98.7 54.6 -65.9 -10.4 -1.2 16.0 74.7 82 102 A W G < S+ 0 0 23 -3,-1.7 2,-2.0 1,-0.1 -1,-0.3 0.560 82.4 95.5 -91.6 -10.3 2.0 18.1 74.4 83 103 A E S < S+ 0 0 49 -3,-2.4 2,-0.3 -4,-0.3 -1,-0.1 -0.478 75.8 61.7 -87.4 71.6 1.0 20.2 77.4 84 104 A R S S- 0 0 92 -2,-2.0 2,-0.2 -14,-0.1 -11,-0.1 -0.950 95.3 -72.9-177.8 162.1 3.0 18.3 80.0 85 105 A D - 0 0 46 -2,-0.3 2,-0.4 -13,-0.1 -14,-0.2 -0.486 55.0-164.8 -67.0 142.6 6.5 17.2 81.0 86 106 A L E -H 70 0C 10 -16,-2.5 -16,-3.8 -2,-0.2 2,-0.2 -0.970 19.3-139.9-135.1 145.3 7.7 14.5 78.7 87 107 A T E > -H 69 0C 39 -2,-0.4 4,-2.9 -18,-0.2 5,-0.2 -0.427 45.6 -96.6 -82.2 173.9 10.5 12.0 78.7 88 108 A L H > S+ 0 0 3 -20,-0.6 4,-2.4 -22,-0.4 5,-0.2 0.957 129.1 47.3 -58.9 -48.9 12.3 11.4 75.4 89 109 A R H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.921 112.7 50.8 -58.5 -39.1 10.1 8.3 74.7 90 110 A G H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.946 110.2 47.4 -63.5 -47.7 7.0 10.4 75.6 91 111 A A H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 4,-0.5 0.897 115.1 48.0 -62.2 -37.8 8.0 13.3 73.3 92 112 A I H ><5S+ 0 0 1 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.934 111.0 49.7 -65.2 -46.2 8.6 10.8 70.5 93 113 A Q H 3<5S+ 0 0 43 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.840 119.0 35.8 -68.0 -35.9 5.4 8.9 71.1 94 114 A V T 3<5S- 0 0 21 -4,-2.2 -1,-0.3 -5,-0.2 3,-0.2 0.409 107.6-125.8 -91.7 -1.1 3.1 12.0 71.0 95 115 A S T < 5 - 0 0 19 -3,-0.6 2,-1.8 -4,-0.5 -3,-0.2 0.950 28.7-159.6 52.3 57.5 5.3 13.6 68.4 96 116 A A >>< - 0 0 0 -5,-2.5 4,-1.5 1,-0.2 3,-1.3 -0.475 9.1-171.4 -72.7 83.3 5.8 16.7 70.6 97 117 A V H 3> S+ 0 0 23 -2,-1.8 4,-2.6 1,-0.3 5,-0.2 0.825 78.9 54.6 -43.6 -52.6 6.8 19.2 67.9 98 118 A P H 3> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.825 106.5 54.2 -62.1 -27.3 7.8 22.1 70.3 99 119 A V H <> S+ 0 0 5 -3,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.940 112.5 42.2 -65.5 -48.1 10.2 19.8 72.1 100 120 A F H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.815 111.3 56.4 -69.9 -27.9 11.9 18.8 68.9 101 121 A Q H X S+ 0 0 42 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.924 108.7 46.3 -66.8 -46.1 11.9 22.5 67.7 102 122 A Q H X S+ 0 0 85 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.894 111.9 51.7 -64.0 -40.3 13.7 23.6 70.9 103 123 A I H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.966 111.4 48.0 -56.6 -48.2 16.2 20.7 70.5 104 124 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.896 108.3 53.4 -62.8 -44.2 16.9 21.8 66.9 105 125 A R H < S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.4 44.6 -55.2 -41.8 17.4 25.4 67.9 106 126 A E H < S+ 0 0 96 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.827 110.0 54.4 -77.1 -32.3 20.0 24.5 70.5 107 127 A V H < S- 0 0 5 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.962 103.1-157.2 -58.7 -51.4 21.7 22.1 68.1 108 128 A G X - 0 0 23 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.044 27.8 -76.6 90.2 160.3 21.9 25.0 65.6 109 129 A E H > S+ 0 0 134 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.859 123.4 53.7 -59.6 -44.9 22.3 25.0 61.8 110 130 A V H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.974 115.6 37.1 -62.7 -53.9 26.0 24.1 61.5 111 131 A R H > S+ 0 0 91 -4,-0.5 4,-2.6 1,-0.2 5,-0.3 0.900 116.1 54.2 -67.4 -39.8 25.8 21.0 63.7 112 132 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.938 111.0 45.8 -58.6 -48.2 22.4 20.0 62.3 113 133 A Q H X S+ 0 0 68 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.913 111.6 53.2 -58.3 -44.7 23.8 20.2 58.7 114 134 A K H X S+ 0 0 97 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.928 111.2 44.4 -58.8 -49.2 26.9 18.2 59.7 115 135 A Y H X S+ 0 0 25 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.868 109.4 54.4 -68.7 -36.7 25.0 15.3 61.3 116 136 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 -5,-0.3 -1,-0.2 0.863 110.2 49.2 -64.9 -32.0 22.5 15.0 58.4 117 137 A K H ><5S+ 0 0 133 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.919 111.3 48.7 -67.5 -47.1 25.4 14.7 56.1 118 138 A K H 3<5S+ 0 0 108 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.853 114.7 45.3 -58.3 -38.4 27.0 12.1 58.3 119 139 A F T 3<5S- 0 0 8 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.430 104.4-131.2 -82.1 -2.4 23.7 10.2 58.5 120 140 A S T < 5 - 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0 0 15 -5,-2.8 2,-0.6 -6,-0.1 -1,-0.2 -0.860 40.9-151.3-102.8 134.1 -2.8 -16.8 97.3 265 38 B N + 0 0 115 -2,-0.4 202,-2.4 202,-0.3 2,-0.3 -0.939 52.7 111.3 -94.3 118.2 -0.1 -16.2 100.0 266 39 B G E -K 466 0E 5 -2,-0.6 2,-0.4 200,-0.2 200,-0.3 -0.954 55.0-115.2-170.1-177.6 2.2 -13.7 98.5 267 40 B V E -K 465 0E 0 198,-2.9 198,-2.1 -2,-0.3 2,-0.4 -1.000 9.7-161.7-142.8 137.6 3.6 -10.2 98.5 268 41 B F E -K 464 0E 0 -2,-0.4 13,-1.0 196,-0.2 2,-0.4 -0.987 7.1-169.5-114.5 133.7 3.5 -7.2 96.2 269 42 B V E -KL 463 280E 0 194,-2.6 194,-1.8 -2,-0.4 2,-0.4 -0.989 7.3-179.9-119.2 126.5 6.0 -4.4 96.6 270 43 B L E -KL 462 279E 13 9,-2.6 9,-2.5 -2,-0.4 2,-0.4 -0.986 3.6-171.7-131.4 123.2 5.4 -1.2 94.6 271 44 B b E -KL 461 278E 0 190,-2.8 190,-2.1 -2,-0.4 2,-0.7 -0.941 17.5-144.3-123.1 133.5 7.8 1.9 94.7 272 45 B K E >> -KL 460 277E 83 5,-2.6 4,-1.5 -2,-0.4 5,-1.3 -0.856 12.3-152.2 -98.3 118.3 7.4 5.3 93.2 273 46 B S T 45S+ 0 0 18 186,-3.1 -1,-0.2 -2,-0.7 187,-0.1 0.858 88.6 55.7 -60.5 -40.9 10.7 6.6 92.0 274 47 B S T 45S+ 0 0 84 185,-0.3 -1,-0.2 1,-0.2 186,-0.1 0.908 120.9 29.3 -65.6 -41.2 10.1 10.3 92.4 275 48 B S T 45S- 0 0 62 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.520 98.0-135.1 -91.2 -10.0 9.1 10.1 96.1 276 49 B K T <5 + 0 0 80 -4,-1.5 -29,-2.5 1,-0.2 -28,-1.4 0.841 59.3 138.8 59.1 32.1 11.3 7.0 96.7 277 50 B S E < -jL 248 272E 44 -5,-1.3 -5,-2.6 -30,-0.2 2,-0.3 -0.922 36.4-162.1-116.5 136.1 8.4 5.5 98.7 278 51 B b E -jL 249 271E 6 -30,-2.5 -28,-1.8 -2,-0.4 2,-0.3 -0.827 3.0-161.4-112.5 152.2 7.2 1.9 98.5 279 52 B A E +jL 250 270E 22 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.3 -0.963 12.3 176.3-126.7 151.2 4.0 0.3 99.5 280 53 B T E -jL 251 269E 0 -30,-2.0 -28,-3.0 -2,-0.3 3,-0.2 -0.996 36.6-136.3-150.3 152.4 3.4 -3.4 100.2 281 54 B N S S+ 0 0 7 -13,-1.0 2,-0.3 -2,-0.3 -12,-0.1 0.695 102.3 28.5 -75.6 -18.5 0.5 -5.7 101.4 282 55 B D > - 0 0 55 -14,-0.4 4,-2.4 1,-0.1 -1,-0.3 -0.788 58.5-172.9-153.0 96.4 3.0 -7.6 103.7 283 56 B L H > S+ 0 0 70 -2,-0.3 4,-0.8 -3,-0.2 -1,-0.1 0.844 90.5 52.0 -59.9 -38.8 6.0 -6.0 105.3 284 57 B A H >> S+ 0 0 62 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.968 113.1 41.4 -66.0 -53.2 7.2 -9.3 106.7 285 58 B R H >4 S+ 0 0 17 1,-0.2 3,-1.1 2,-0.2 105,-0.4 0.849 105.3 65.9 -63.3 -34.9 7.1 -11.2 103.4 286 59 B A H 3< S+ 0 0 0 -4,-2.4 105,-2.2 1,-0.3 104,-0.3 0.786 107.2 42.3 -56.8 -26.7 8.5 -8.3 101.4 287 60 B S H << S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.517 92.3 107.3 -98.5 -9.5 11.8 -8.8 103.4 288 61 B K << - 0 0 107 -3,-1.1 102,-0.5 -4,-0.5 2,-0.4 -0.520 67.4-131.6 -72.8 141.8 11.7 -12.6 103.1 289 62 B E E +P 389 0F 101 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.830 28.6 174.5-107.4 126.4 14.2 -14.1 100.8 290 63 B Y E -P 388 0F 39 98,-2.7 98,-2.1 -2,-0.4 0, 0.0 -0.861 44.3 -79.7-125.1 156.7 13.3 -16.7 98.1 291 64 B L - 0 0 28 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.327 38.1-143.6 -44.7 129.8 15.1 -18.5 95.2 292 65 B P > + 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.780 28.9 178.8 -73.5 -22.3 15.1 -16.0 92.3 293 66 B A G > S- 0 0 0 88,-1.7 3,-2.2 1,-0.3 4,-0.1 -0.284 71.3 -8.8 46.4-136.0 14.6 -18.8 89.7 294 67 B S G > S+ 0 0 11 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.567 120.6 79.7 -75.1 -0.9 14.4 -17.0 86.3 295 68 B T G X S+ 0 0 0 -3,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.764 82.2 73.8 -66.6 -19.5 14.3 -13.5 87.7 296 69 B F G <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.3 -1,-0.3 0.702 72.0 82.6 -64.5 -20.8 18.0 -14.3 87.9 297 70 B C H <> S+ 0 0 0 -3,-1.6 4,-2.5 2,-0.2 -1,-0.3 0.786 83.8 62.8 -50.6 -28.5 18.2 -13.9 84.1 298 71 B I H <> S+ 0 0 1 -3,-1.5 4,-2.2 -4,-0.2 5,-0.2 1.000 111.3 31.6 -66.6 -64.2 18.5 -10.1 84.7 299 72 B P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.881 119.0 56.7 -60.1 -34.6 21.8 -10.1 86.6 300 73 B N H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.913 108.8 46.3 -62.9 -43.7 23.0 -13.2 84.6 301 74 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.914 113.5 48.2 -59.7 -49.3 22.4 -11.2 81.3 302 75 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 115.5 44.9 -60.0 -46.8 24.2 -8.1 82.7 303 76 B I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 6,-0.3 0.900 110.7 54.0 -64.8 -42.3 27.1 -10.2 83.9 304 77 B G H <>S+ 0 0 0 -4,-2.9 6,-2.3 -5,-0.2 5,-0.9 0.908 114.0 42.2 -58.1 -42.8 27.3 -12.2 80.7 305 78 B L H ><5S+ 0 0 9 -4,-2.3 3,-1.0 4,-0.2 -2,-0.2 0.915 112.4 53.0 -68.8 -42.9 27.6 -9.0 78.7 306 79 B E H 3<5S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.849 111.3 46.0 -67.1 -34.0 30.0 -7.3 81.2 307 80 B T T 3<5S- 0 0 28 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.563 114.3-113.2 -83.0 -8.3 32.4 -10.2 81.0 308 81 B G T < 5S+ 0 0 48 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.399 86.6 119.2 87.2 -2.0 32.3 -10.5 77.2 309 82 B V S S- 0 0 66 -3,-0.1 3,-1.9 102,-0.0 -1,-0.2 -0.929 72.3 -71.6-166.2-177.5 26.7 -7.8 72.2 313 86 B E T 3 S+ 0 0 27 1,-0.3 22,-0.4 -2,-0.3 23,-0.3 0.609 126.1 57.3 -65.9 -15.9 22.9 -7.2 72.0 314 87 B H T 3 S+ 0 0 60 20,-0.1 -1,-0.3 21,-0.1 -159,-0.0 0.299 74.6 136.9 -98.1 9.1 22.7 -9.0 68.7 315 88 B Q < - 0 0 42 -3,-1.9 20,-0.5 1,-0.1 2,-0.5 -0.289 43.4-150.9 -51.8 128.9 24.2 -12.2 70.1 316 89 B V E -Q 334 0G 39 18,-0.2 2,-1.0 19,-0.1 18,-0.2 -0.946 5.7-143.9-103.4 128.1 22.3 -15.2 68.8 317 90 B F E -Q 333 0G 29 16,-4.0 16,-2.0 -2,-0.5 2,-0.1 -0.801 25.4-144.3 -92.9 103.5 22.3 -18.3 71.1 318 91 B K - 0 0 150 -2,-1.0 2,-0.4 14,-0.2 14,-0.1 -0.421 7.1-123.8 -75.7 138.3 22.4 -21.1 68.6 319 92 B W - 0 0 86 -2,-0.1 13,-0.1 1,-0.1 -1,-0.1 -0.654 9.2-150.3 -80.7 132.9 20.5 -24.4 69.2 320 93 B D - 0 0 96 -2,-0.4 -1,-0.1 2,-0.1 10,-0.1 0.531 40.4-112.4 -79.9 -6.5 22.7 -27.5 69.2 321 94 B G S S+ 0 0 46 1,-0.3 3,-0.1 10,-0.0 -1,-0.1 0.266 77.0 129.0 91.7 -11.2 19.9 -29.8 68.0 322 95 B K S S- 0 0 132 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.488 70.1 -92.9 -77.4 145.9 19.9 -31.7 71.3 323 96 B P - 0 0 116 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.287 42.6-161.2 -61.6 140.7 16.5 -32.1 73.1 324 97 B R - 0 0 47 2,-0.1 6,-0.1 -3,-0.1 4,-0.0 -0.742 33.7-103.1-116.3 167.2 15.7 -29.4 75.7 325 98 B A S S+ 0 0 93 -2,-0.2 2,-0.4 1,-0.1 3,-0.1 0.790 107.6 36.0 -62.2 -28.4 13.2 -29.6 78.6 326 99 B M S > S- 0 0 89 1,-0.1 3,-1.6 0, 0.0 4,-0.4 -0.985 72.7-136.4-128.9 139.5 10.7 -27.4 76.6 327 100 B K G > S+ 0 0 171 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.894 104.7 68.4 -56.4 -44.8 9.9 -27.3 72.9 328 101 B Q G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 15,-0.1 0.750 98.6 51.2 -32.5 -40.8 10.0 -23.4 73.2 329 102 B W G < S+ 0 0 21 -3,-1.6 2,-2.0 1,-0.2 -1,-0.3 0.576 81.9 95.7 -88.0 -8.7 13.7 -23.6 73.8 330 103 B E S < S+ 0 0 64 -3,-2.2 2,-0.3 -4,-0.4 -1,-0.2 -0.414 76.2 64.7 -86.8 66.2 14.5 -25.8 70.8 331 104 B R S S- 0 0 91 -2,-2.0 2,-0.1 -14,-0.1 -11,-0.1 -0.961 95.2 -75.9-170.8 158.9 15.5 -23.0 68.5 332 105 B D - 0 0 51 -2,-0.3 2,-0.4 -13,-0.1 -14,-0.2 -0.469 55.0-161.4 -62.1 140.6 18.1 -20.2 68.0 333 106 B L E -Q 317 0G 5 -16,-2.0 -16,-4.0 -2,-0.1 2,-0.1 -0.983 17.8-141.3-133.1 138.9 17.4 -17.4 70.4 334 107 B T E > -Q 316 0G 36 -2,-0.4 4,-2.9 -18,-0.2 5,-0.2 -0.329 45.1 -97.3 -74.7 174.6 18.3 -13.7 70.7 335 108 B L H > S+ 0 0 3 -20,-0.5 4,-2.4 -22,-0.4 5,-0.2 0.953 130.2 45.3 -60.0 -48.9 19.0 -12.3 74.2 336 109 B R H > S+ 0 0 25 -23,-0.3 4,-3.5 2,-0.2 5,-0.2 0.929 113.0 52.3 -59.9 -41.2 15.4 -11.0 74.4 337 110 B G H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.933 110.1 46.5 -58.4 -50.1 14.2 -14.4 73.0 338 111 B A H <>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-0.2 0.882 116.6 46.7 -59.1 -41.2 16.1 -16.4 75.7 339 112 B I H ><5S+ 0 0 1 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.969 110.7 50.3 -65.1 -52.5 14.8 -14.0 78.3 340 113 B Q H 3<5S+ 0 0 51 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.769 119.6 36.1 -65.6 -27.0 11.1 -14.1 77.1 341 114 B V T 3<5S- 0 0 25 -4,-1.9 -1,-0.3 -5,-0.2 3,-0.2 0.331 106.0-127.1 -99.3 6.8 11.0 -17.9 77.0 342 115 B S T < 5 - 0 0 19 -3,-1.7 2,-1.8 -4,-0.2 -3,-0.2 0.888 28.2-160.0 44.4 52.9 13.3 -18.2 80.2 343 116 B A >>< - 0 0 0 -5,-2.4 4,-1.7 1,-0.2 3,-1.4 -0.368 8.9-170.7 -68.0 83.1 15.6 -20.6 78.3 344 117 B V H 3> S+ 0 0 28 -2,-1.8 4,-2.9 1,-0.3 5,-0.2 0.854 79.9 55.0 -40.4 -53.1 17.4 -22.2 81.2 345 118 B P H 3> S+ 0 0 31 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.809 107.0 52.0 -60.2 -29.2 20.1 -24.0 79.1 346 119 B V H <> S+ 0 0 5 -3,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.929 113.1 43.4 -68.5 -48.1 21.1 -20.7 77.6 347 120 B F H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.838 110.1 57.3 -67.6 -30.9 21.5 -19.1 81.0 348 121 B Q H X S+ 0 0 42 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.944 108.0 46.7 -61.8 -47.9 23.2 -22.2 82.3 349 122 B Q H X S+ 0 0 82 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.902 110.7 52.8 -63.2 -39.9 25.9 -21.9 79.6 350 123 B I H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.952 110.6 47.0 -58.8 -48.9 26.3 -18.2 80.3 351 124 B A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.901 109.7 53.3 -62.1 -42.5 26.9 -18.9 84.0 352 125 B R H < S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 111.7 46.3 -58.2 -40.0 29.4 -21.7 83.3 353 126 B E H < S+ 0 0 97 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.847 111.4 50.0 -74.0 -35.9 31.4 -19.3 81.1 354 127 B V H < S- 0 0 5 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.957 103.1-159.0 -60.6 -51.3 31.3 -16.5 83.6 355 128 B G X - 0 0 20 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.032 27.8 -70.7 86.6 164.5 32.5 -18.9 86.3 356 129 B E H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 124.0 50.9 -64.0 -44.1 32.3 -18.9 90.0 357 130 B V H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 116.2 39.2 -64.3 -48.9 34.8 -16.2 90.8 358 131 B R H > S+ 0 0 97 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.906 114.4 53.9 -68.4 -42.4 33.4 -13.5 88.5 359 132 B M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.928 111.0 47.0 -56.1 -45.8 29.8 -14.5 89.3 360 133 B Q H X S+ 0 0 77 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.915 110.9 52.2 -59.9 -48.0 30.5 -14.0 93.0 361 134 B K H X S+ 0 0 94 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.959 112.7 43.8 -52.9 -56.0 32.2 -10.7 92.4 362 135 B Y H X S+ 0 0 22 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.905 111.0 52.8 -62.3 -39.9 29.3 -9.3 90.4 363 136 B L H <>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.3 -1,-0.2 0.861 111.2 49.0 -67.2 -29.8 26.6 -10.5 92.8 364 137 B K H ><5S+ 0 0 133 -4,-1.9 3,-1.4 3,-0.2 -2,-0.2 0.942 112.1 46.8 -67.8 -51.6 28.6 -8.8 95.6 365 138 B K H 3<5S+ 0 0 116 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.880 115.3 47.3 -56.2 -38.5 28.8 -5.5 93.5 366 139 B F T 3<5S- 0 0 8 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.470 103.8-132.6 -78.9 -6.4 25.1 -5.8 92.7 367 140 B S T < 5 - 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