==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-OCT-01 1K57 . COMPND 2 MOLECULE: BETA LACTAMASE OXA-10; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.GOLEMI,L.MAVEYRAUD,S.VAKULENKO,J.P.SAMAMA,S.MOBASHERY . 969 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 185 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 12 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 . 46 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.2 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 6 3 5 0 0 0 6 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 7 4 4 0 0 4 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 0 0 0 0 4 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 22 A I 0 0 102 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 123.3 31.3 12.2 57.8 2 23 A T E -a 31 0A 93 28,-2.3 30,-1.6 2,-0.0 2,-0.5 -0.807 360.0-114.6-106.9 160.9 31.8 9.2 60.1 3 24 A E E -a 32 0A 87 -2,-0.3 2,-0.8 28,-0.2 30,-0.2 -0.785 16.7-160.1 -98.0 129.2 31.5 5.5 59.4 4 25 A N > - 0 0 45 28,-3.4 3,-1.3 -2,-0.5 4,-0.3 -0.856 7.3-175.6-110.7 97.2 28.8 3.4 61.1 5 26 A T G > S+ 0 0 94 -2,-0.8 3,-1.3 1,-0.3 4,-0.3 0.707 76.3 69.0 -67.2 -24.5 30.0 -0.1 60.9 6 27 A S G > S+ 0 0 56 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.802 87.1 68.3 -67.9 -24.1 26.9 -1.6 62.4 7 28 A W G X S+ 0 0 8 -3,-1.3 3,-1.5 1,-0.3 4,-0.3 0.704 80.9 76.8 -64.6 -21.4 25.0 -0.6 59.2 8 29 A N G X> S+ 0 0 63 -3,-1.3 3,-2.2 -4,-0.3 4,-1.6 0.813 77.1 75.3 -61.4 -25.1 27.0 -3.2 57.3 9 30 A K H <> S+ 0 0 154 -3,-1.5 4,-1.0 -4,-0.3 -1,-0.3 0.825 89.3 57.6 -54.9 -32.7 24.7 -5.8 58.9 10 31 A E H <4 S+ 0 0 62 -3,-1.5 4,-0.3 -4,-0.2 -1,-0.3 0.641 111.0 42.0 -75.6 -15.0 21.9 -4.8 56.5 11 32 A F H <4>S+ 0 0 8 -3,-2.2 5,-2.4 -4,-0.3 4,-0.4 0.581 100.9 70.9 -99.6 -23.0 24.2 -5.6 53.5 12 33 A S H ><5S+ 0 0 90 -4,-1.6 3,-1.4 3,-0.2 -2,-0.2 0.935 90.7 57.6 -69.9 -42.5 25.7 -8.8 54.8 13 34 A A T 3<5S+ 0 0 87 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.950 116.8 32.8 -51.5 -58.2 22.6 -10.9 54.5 14 35 A E T 3 5S- 0 0 93 -4,-0.3 -1,-0.3 1,-0.0 -2,-0.2 0.339 108.0-122.9 -81.7 7.8 22.1 -10.3 50.7 15 36 A A T < 5 + 0 0 78 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.857 50.7 171.8 53.8 39.5 25.9 -10.1 50.2 16 37 A V < - 0 0 14 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.602 30.6-152.4 -87.5 137.1 25.4 -6.6 48.7 17 38 A N + 0 0 115 202,-0.3 202,-2.9 -2,-0.3 2,-0.3 -0.929 53.9 100.3 -98.2 107.9 28.4 -4.5 47.9 18 39 A G E -B 218 0A 5 -2,-0.7 2,-0.4 200,-0.3 200,-0.3 -0.969 56.7-115.3-170.6-175.0 27.1 -0.9 48.2 19 40 A V E -B 217 0A 0 198,-3.0 198,-2.1 -2,-0.3 2,-0.4 -0.979 7.3-158.2-145.4 147.3 26.9 2.2 50.3 20 41 A F E -B 216 0A 0 -2,-0.4 13,-1.0 196,-0.2 2,-0.5 -0.995 7.7-166.8-122.9 133.9 24.4 4.3 52.1 21 42 A V E -BC 215 32A 0 194,-2.9 194,-2.0 -2,-0.4 2,-0.4 -0.994 8.3-177.8-118.9 127.5 25.0 7.9 53.1 22 43 A L E -BC 214 31A 13 9,-3.0 9,-2.5 -2,-0.5 2,-0.4 -0.994 2.9-173.0-129.3 129.5 22.6 9.6 55.5 23 44 A a E -BC 213 30A 0 190,-2.9 190,-2.5 -2,-0.4 2,-0.6 -0.983 13.4-147.9-126.0 129.6 22.8 13.2 56.7 24 45 A K E S-B 212 0A 107 5,-1.6 2,-1.3 -2,-0.4 188,-0.2 -0.888 77.2 -20.4 -99.7 122.2 20.7 14.9 59.4 25 46 A S S S- 0 0 61 186,-3.3 2,-0.3 -2,-0.6 187,-0.1 -0.217 131.1 -0.8 81.1 -50.4 19.9 18.6 58.8 26 47 A S S > S- 0 0 32 -2,-1.3 3,-1.0 3,-0.2 -2,-0.2 -0.964 80.9 -92.2-158.8 172.4 22.6 19.3 56.4 27 48 A S T 3 S+ 0 0 44 -2,-0.3 3,-0.2 1,-0.2 120,-0.1 0.373 110.0 80.4 -76.7 5.0 25.6 17.7 54.6 28 49 A K T 3 S+ 0 0 197 1,-0.2 -1,-0.2 -4,-0.1 2,-0.2 0.334 94.0 50.4 -86.8 8.1 27.9 18.9 57.5 29 50 A S S < S+ 0 0 67 -3,-1.0 -5,-1.6 2,-0.0 2,-0.3 -0.649 78.0 154.8-144.6 83.1 26.7 15.8 59.5 30 51 A a E - C 0 23A 15 -3,-0.2 -28,-2.3 -7,-0.2 2,-0.3 -0.880 22.4-170.6-125.6 150.2 26.9 12.5 57.6 31 52 A A E +aC 2 22A 22 -9,-2.5 -9,-3.0 -2,-0.3 2,-0.3 -0.954 12.1 169.7-133.6 147.9 27.2 8.9 58.4 32 53 A T E -aC 3 21A 0 -30,-1.6 -28,-3.4 -2,-0.3 -11,-0.2 -0.955 39.2-127.8-152.2 163.0 27.8 6.0 56.1 33 54 A N S S+ 0 0 3 -13,-1.0 2,-0.3 -2,-0.3 -25,-0.1 0.591 100.3 32.1 -86.9 -18.9 28.6 2.4 56.2 34 55 A D > - 0 0 55 -14,-0.3 4,-2.3 1,-0.1 -1,-0.2 -0.813 58.6-170.9-149.2 99.2 31.7 2.5 53.8 35 56 A L H > S+ 0 0 75 -2,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.897 91.5 51.1 -60.8 -44.4 33.9 5.7 53.7 36 57 A A H >4 S+ 0 0 80 1,-0.2 3,-1.7 2,-0.2 4,-0.5 0.994 113.2 44.2 -52.7 -65.2 35.8 4.5 50.8 37 58 A R H >4 S+ 0 0 20 1,-0.3 3,-1.3 2,-0.2 105,-0.4 0.744 98.5 71.9 -56.3 -31.8 32.6 3.7 48.8 38 59 A A H 3< S+ 0 0 2 -4,-2.3 105,-2.3 1,-0.3 106,-0.3 0.741 105.8 37.4 -57.9 -32.8 30.8 7.0 49.7 39 60 A S T << S+ 0 0 83 -3,-1.7 -1,-0.3 -4,-0.7 2,-0.2 0.369 89.7 112.8-100.6 0.9 33.1 9.1 47.5 40 61 A K < - 0 0 130 -3,-1.3 102,-0.5 -4,-0.5 2,-0.4 -0.560 66.3-126.7 -73.6 143.8 33.5 6.6 44.7 41 62 A E E +G 141 0B 85 -2,-0.2 100,-0.3 100,-0.2 2,-0.3 -0.752 31.2 173.1-104.3 127.9 31.9 7.8 41.4 42 63 A Y E -G 140 0B 28 98,-3.0 98,-2.4 -2,-0.4 0, 0.0 -0.842 44.4 -81.2-126.9 163.3 29.3 5.8 39.4 43 64 A L - 0 0 33 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.434 38.2-146.3 -56.9 132.3 27.0 6.3 36.3 44 65 A P > + 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.711 26.8 179.3 -77.2 -18.0 24.0 8.1 37.7 45 66 A A G > S- 0 0 0 88,-1.8 3,-2.2 1,-0.3 4,-0.2 -0.181 70.6 -3.1 47.6-132.7 21.6 6.3 35.3 46 67 A S G > S+ 0 0 10 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.652 120.4 78.4 -65.0 -9.2 18.0 7.6 36.1 47 68 A T G X S+ 0 0 0 -3,-2.1 3,-1.7 1,-0.3 -1,-0.3 0.815 81.3 71.4 -66.5 -20.5 19.1 9.7 39.0 48 69 A F G <> S+ 0 0 0 -3,-2.2 4,-2.4 1,-0.3 -1,-0.3 0.659 74.1 81.2 -66.0 -17.3 20.2 12.1 36.3 49 70 A X H <> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.2 -1,-0.3 0.804 83.5 64.9 -59.7 -26.6 16.6 12.9 35.5 50 71 A I H <> S+ 0 0 2 -3,-1.7 4,-2.1 -4,-0.3 5,-0.2 0.999 111.1 30.6 -63.0 -59.2 16.7 15.3 38.5 51 72 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.896 118.0 58.6 -64.0 -35.3 19.3 17.8 37.0 52 73 A N H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.929 107.2 47.4 -59.2 -42.1 18.1 17.1 33.4 53 74 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.926 112.2 48.8 -66.7 -41.7 14.6 18.2 34.4 54 75 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.957 113.3 46.7 -63.3 -44.3 15.9 21.3 36.1 55 76 A I H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 6,-0.3 0.915 108.4 56.7 -63.8 -39.1 18.0 22.2 33.1 56 77 A G H <>S+ 0 0 0 -4,-2.7 6,-2.5 -5,-0.2 5,-1.0 0.905 112.0 42.3 -55.4 -45.8 15.0 21.5 30.7 57 78 A L H ><5S+ 0 0 10 -4,-2.2 3,-0.8 4,-0.2 -1,-0.2 0.915 112.3 52.7 -69.9 -41.4 13.0 24.0 32.6 58 79 A E H 3<5S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.874 112.8 45.2 -64.1 -36.2 15.8 26.6 32.9 59 80 A T T 3<5S- 0 0 26 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.483 112.1-118.2 -84.8 -9.6 16.5 26.5 29.1 60 81 A G T < 5S+ 0 0 53 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.480 83.6 120.1 82.6 2.7 12.8 26.7 28.2 61 82 A V S S- 0 0 35 99,-0.0 3,-1.5 102,-0.0 -1,-0.2 -0.878 72.9 -65.4-165.0-169.8 6.4 24.8 32.6 65 86 A E T 3 S+ 0 0 26 1,-0.3 22,-0.4 -2,-0.3 23,-0.3 0.606 125.9 55.8 -65.4 -22.3 5.1 22.3 35.2 66 87 A H T 3 S+ 0 0 52 20,-0.1 -1,-0.3 21,-0.1 2,-0.0 0.319 73.1 133.9 -98.6 7.3 2.1 21.4 33.2 67 88 A Q < - 0 0 54 -3,-1.5 20,-0.5 1,-0.1 2,-0.5 -0.297 45.6-146.1 -61.1 131.2 3.9 20.4 30.0 68 89 A V E -H 86 0C 50 18,-0.1 2,-0.8 19,-0.1 18,-0.2 -0.898 2.1-146.7-103.3 131.0 2.6 17.1 28.5 69 90 A F E -H 85 0C 24 16,-3.6 16,-2.1 -2,-0.5 2,-0.1 -0.872 25.9-143.4 -98.2 108.0 5.0 14.8 26.8 70 91 A K - 0 0 165 -2,-0.8 2,-0.5 14,-0.2 14,-0.1 -0.426 5.4-127.3 -82.9 139.1 2.9 13.2 24.1 71 92 A W - 0 0 19 735,-0.2 13,-0.1 -2,-0.1 -1,-0.1 -0.747 9.8-153.6 -81.2 126.4 3.3 9.6 23.0 72 93 A D - 0 0 47 -2,-0.5 -1,-0.1 2,-0.1 10,-0.0 0.406 42.9-110.4 -79.7 1.8 3.8 9.3 19.2 73 94 A G S S+ 0 0 7 1,-0.3 3,-0.1 733,-0.1 734,-0.1 0.506 77.7 128.0 86.1 -0.8 2.4 5.8 19.2 74 95 A K - 0 0 37 1,-0.1 -1,-0.3 789,-0.0 -2,-0.1 -0.706 69.2 -82.5 -97.7 148.9 5.7 4.2 18.3 75 96 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.038 44.1-168.2 -56.1 138.3 7.2 1.3 20.4 76 97 A R - 0 0 42 -3,-0.1 6,-0.1 2,-0.1 5,-0.0 -0.859 35.0-109.5-120.4 163.8 9.1 2.1 23.5 77 98 A A S S+ 0 0 92 -2,-0.3 2,-0.4 1,-0.1 3,-0.1 0.818 104.9 41.7 -64.1 -29.6 11.4 -0.2 25.6 78 99 A M S > S- 0 0 89 1,-0.1 3,-1.8 -3,-0.0 4,-0.3 -0.961 71.4-142.0-124.8 136.9 8.8 -0.3 28.4 79 100 A K G > S+ 0 0 175 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.862 102.9 65.6 -60.1 -32.3 5.0 -0.6 28.2 80 101 A Q G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.1 15,-0.1 0.686 99.1 53.2 -65.4 -18.0 4.8 1.9 31.1 81 102 A W G < S+ 0 0 31 -3,-1.8 2,-1.8 1,-0.1 -1,-0.3 0.481 80.8 96.5 -90.9 -9.4 6.2 4.5 28.8 82 103 A E S < S+ 0 0 43 -3,-1.9 2,-0.3 -4,-0.3 724,-0.2 -0.473 75.5 63.3 -84.7 68.7 3.7 4.1 26.0 83 104 A R S S- 0 0 80 -2,-1.8 2,-0.2 -14,-0.1 -11,-0.1 -0.950 95.8 -75.3-172.4 163.8 1.4 6.9 26.9 84 105 A D - 0 0 52 -2,-0.3 2,-0.3 722,-0.3 -14,-0.2 -0.482 54.3-166.8 -67.3 142.9 1.3 10.6 27.3 85 106 A L E -H 69 0C 3 -16,-2.1 -16,-3.6 -2,-0.2 2,-0.1 -0.991 18.1-135.6-136.7 148.6 3.1 11.7 30.5 86 107 A T E > -H 68 0C 30 -2,-0.3 4,-2.8 -18,-0.2 5,-0.2 -0.282 43.8 -95.8 -84.0 176.9 3.4 14.8 32.6 87 108 A L H > S+ 0 0 3 -20,-0.5 4,-2.2 -22,-0.4 5,-0.2 0.959 128.5 48.0 -63.5 -42.9 6.8 15.9 33.9 88 109 A R H > S+ 0 0 22 -23,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.921 113.1 48.4 -63.7 -44.4 6.1 14.2 37.2 89 110 A G H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.932 108.6 51.9 -56.9 -48.0 5.0 11.0 35.4 90 111 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 -1,-0.2 0.864 114.7 43.5 -60.5 -42.4 8.0 10.9 33.1 91 112 A I H ><5S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 0.951 115.1 48.0 -67.9 -45.4 10.3 11.2 36.1 92 113 A Q H 3<5S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.791 117.7 39.0 -72.1 -33.1 8.5 8.8 38.3 93 114 A V T 3<5S- 0 0 18 -4,-3.0 -1,-0.3 -5,-0.2 3,-0.2 0.399 109.2-128.9 -93.1 4.9 8.1 6.0 35.7 94 115 A S T < 5 - 0 0 19 -3,-0.9 2,-1.5 -5,-0.3 -3,-0.2 0.906 28.3-165.2 51.2 54.9 11.7 7.0 34.6 95 116 A A >>< - 0 0 0 -5,-2.3 4,-1.5 1,-0.2 3,-0.8 -0.515 4.9-169.1 -75.0 83.7 10.8 7.4 30.9 96 117 A V H 3> S+ 0 0 25 -2,-1.5 4,-2.0 1,-0.2 5,-0.2 0.874 78.5 56.2 -46.1 -50.4 14.2 7.4 29.3 97 118 A P H 3> S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.869 103.9 55.1 -55.4 -37.9 13.1 8.5 25.7 98 119 A V H <> S+ 0 0 8 -3,-0.8 4,-1.9 1,-0.2 -2,-0.2 0.959 112.4 41.8 -59.0 -46.6 11.4 11.6 27.1 99 120 A F H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.762 108.3 59.4 -73.9 -26.4 14.6 12.7 28.8 100 121 A Q H X S+ 0 0 26 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.923 107.5 47.7 -62.9 -43.1 16.8 11.7 25.8 101 122 A Q H X S+ 0 0 15 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.903 109.6 52.7 -64.4 -40.5 14.8 14.1 23.7 102 123 A I H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.935 108.4 51.2 -56.2 -48.1 15.1 16.8 26.4 103 124 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.899 107.6 53.0 -56.1 -47.7 18.9 16.4 26.4 104 125 A R H < S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.906 111.8 45.0 -58.5 -43.3 19.1 16.8 22.6 105 126 A E H < S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.836 112.7 50.0 -71.2 -36.8 17.2 20.0 22.8 106 127 A V H < S- 0 0 4 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.961 102.5-162.1 -59.5 -49.7 19.3 21.3 25.7 107 128 A G X - 0 0 21 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.195 29.8 -72.7 79.5 157.5 22.4 20.4 23.7 108 129 A E H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.862 123.5 52.1 -55.5 -41.6 26.0 19.8 24.8 109 130 A V H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.963 115.1 40.3 -68.0 -45.7 27.1 23.5 25.4 110 131 A R H > S+ 0 0 89 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.907 114.6 53.2 -67.2 -38.9 24.2 24.3 27.7 111 132 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.952 108.3 49.9 -61.6 -50.3 24.4 20.9 29.5 112 133 A Q H X S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.908 110.8 51.3 -53.9 -42.3 28.1 21.3 30.2 113 134 A K H X S+ 0 0 96 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.866 111.4 45.0 -62.9 -46.0 27.4 24.8 31.6 114 135 A Y H X S+ 0 0 22 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.911 111.3 51.7 -71.4 -37.3 24.7 23.6 34.0 115 136 A L H X>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 4,-0.5 0.853 109.4 52.0 -68.6 -31.7 26.5 20.6 35.2 116 137 A K H ><5S+ 0 0 152 -4,-1.7 3,-1.4 -5,-0.3 -1,-0.2 0.953 111.6 46.4 -64.8 -49.3 29.5 22.9 36.0 117 138 A K H 3<5S+ 0 0 110 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.899 114.4 47.2 -59.4 -38.2 27.2 25.2 37.9 118 139 A F H 3<5S- 0 0 9 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.507 104.4-129.7 -79.3 -4.9 25.6 22.3 39.7 119 140 A S T <<5 - 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0 0 62 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.412 53.4-165.1 -62.8 143.7 -1.4 16.9 -23.9 330 106 B L E -P 314 0F 3 -16,-2.1 -16,-3.0 608,-0.1 2,-0.1 -0.995 16.8-136.5-134.0 149.3 -3.9 15.7 -21.2 331 107 B T E > -P 313 0F 31 -2,-0.3 4,-2.6 -18,-0.2 5,-0.2 -0.310 44.2 -95.4 -84.6-177.9 -4.5 12.5 -19.2 332 108 B L H > S+ 0 0 3 -20,-0.5 4,-2.0 -22,-0.4 5,-0.2 0.950 129.7 47.0 -63.9 -48.8 -8.0 11.3 -18.7 333 109 B R H > S+ 0 0 20 -23,-0.3 4,-3.2 2,-0.2 5,-0.2 0.929 112.0 50.9 -56.9 -46.1 -8.1 13.0 -15.3 334 110 B G H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.944 109.2 49.2 -57.7 -47.2 -6.7 16.2 -16.9 335 111 B A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -1,-0.2 0.858 114.8 45.1 -63.5 -37.0 -9.2 16.3 -19.6 336 112 B I H ><5S+ 0 0 0 -4,-2.0 3,-0.6 3,-0.2 -2,-0.2 0.939 116.4 45.1 -68.3 -49.2 -12.1 15.8 -17.2 337 113 B Q H 3<5S+ 0 0 35 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.741 118.0 40.2 -73.9 -33.7 -10.8 18.3 -14.7 338 114 B V T 3<5S- 0 0 18 -4,-2.8 -1,-0.3 -5,-0.2 3,-0.2 0.422 109.4-128.4 -86.9 1.1 -9.9 21.1 -17.1 339 115 B S T < 5 - 0 0 20 -3,-0.6 2,-1.9 -5,-0.3 -3,-0.2 0.930 28.2-165.4 55.8 52.8 -13.2 20.1 -18.9 340 116 B A >>< - 0 0 0 -5,-2.5 4,-1.2 -6,-0.2 3,-1.2 -0.476 5.6-170.4 -76.1 84.9 -11.6 19.8 -22.3 341 117 B V H 3> S+ 0 0 25 -2,-1.9 4,-2.3 1,-0.3 5,-0.2 0.819 79.5 55.9 -40.2 -51.7 -14.6 19.8 -24.6 342 118 B P H 3> S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.869 104.1 55.4 -59.1 -33.7 -12.8 18.8 -27.9 343 119 B V H <> S+ 0 0 9 -3,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.953 112.3 40.7 -61.3 -49.3 -11.4 15.7 -26.2 344 120 B F H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.740 108.5 62.2 -73.3 -25.4 -14.8 14.4 -25.2 345 121 B Q H X S+ 0 0 37 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.942 108.1 42.8 -63.2 -47.0 -16.3 15.5 -28.6 346 122 B Q H X S+ 0 0 84 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.906 111.7 53.9 -65.4 -43.1 -14.0 13.1 -30.3 347 123 B I H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.945 108.8 50.0 -53.0 -48.5 -14.6 10.4 -27.7 348 124 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.932 107.9 53.6 -59.4 -40.7 -18.4 10.7 -28.3 349 125 B R H < S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.905 111.0 45.9 -62.0 -39.4 -17.8 10.4 -32.1 350 126 B E H < S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 110.5 52.2 -71.8 -35.9 -15.9 7.2 -31.7 351 127 B V H < S- 0 0 4 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.955 102.8-158.9 -61.1 -51.5 -18.5 5.8 -29.3 352 128 B G X - 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B 0 756K 13 -3,-0.3 -28,-2.1 -2,-0.2 2,-0.3 -0.847 23.5-174.8-111.5 150.6 16.4 7.0 -11.7 764 52 D A E +zB 735 755K 18 -9,-2.3 -9,-2.6 -2,-0.3 2,-0.3 -0.937 6.5 178.6-139.3 155.3 18.8 9.4 -10.0 765 53 D T E -zB 736 754K 0 -30,-1.9 -28,-3.3 -2,-0.3 -11,-0.2 -0.981 38.7-122.7-152.2 160.0 19.7 9.7 -6.3 766 54 D N S S+ 0 0 1 -13,-1.1 2,-0.3 -2,-0.3 -25,-0.1 0.646 103.5 25.4 -73.9 -24.4 21.9 11.7 -4.0 767 55 D D > - 0 0 59 -14,-0.3 4,-2.2 1,-0.1 -1,-0.2 -0.849 60.6-162.9-149.7 107.0 23.7 8.6 -2.8 768 56 D L H > S+ 0 0 78 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.908 91.6 51.0 -58.2 -44.8 24.2 5.3 -4.6 769 57 D A H >> S+ 0 0 76 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.963 112.4 44.2 -61.3 -52.0 25.1 3.3 -1.7 770 58 D R H >4 S+ 0 0 23 1,-0.2 3,-1.1 2,-0.2 101,-0.4 0.853 101.3 69.3 -66.9 -26.9 22.2 4.3 0.5 771 59 D A H 3< S+ 0 0 1 -4,-2.2 101,-2.1 1,-0.3 100,-0.3 0.808 107.8 37.6 -58.4 -33.1 19.7 4.0 -2.4 772 60 D S H << S+ 0 0 78 -3,-1.1 -1,-0.3 -4,-0.9 2,-0.2 0.445 92.0 110.0 -98.4 -4.5 20.2 0.2 -2.3 773 61 D K << - 0 0 120 -3,-1.1 98,-0.6 -4,-0.6 2,-0.4 -0.555 66.3-129.6 -74.2 142.4 20.5 -0.1 1.5 774 62 D E E +F 870 0L 83 -2,-0.2 96,-0.3 96,-0.2 2,-0.3 -0.793 29.4 173.2-104.5 132.6 17.5 -1.8 3.1 775 63 D Y E -F 869 0L 31 94,-2.7 94,-2.5 -2,-0.4 152,-0.0 -0.810 44.7 -77.7-131.0 161.5 15.5 -0.5 6.1 776 64 D L - 0 0 35 -2,-0.3 92,-0.2 92,-0.2 141,-0.1 -0.395 38.5-144.6 -54.5 133.4 12.4 -1.4 8.1 777 65 D P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 86,-0.1 0.732 26.6-177.6 -76.0 -21.5 9.5 -0.2 6.0 778 66 D A G > S- 0 0 1 84,-2.3 3,-2.2 1,-0.3 4,-0.1 -0.294 70.4 -10.1 49.8-139.0 7.3 0.9 9.0 779 67 D S G > S+ 0 0 25 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.542 120.3 81.5 -75.0 0.7 4.0 2.2 7.8 780 68 D T G X S+ 0 0 0 -3,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.795 80.8 72.3 -64.7 -19.0 5.0 2.2 4.2 781 69 D F G <> S+ 0 0 2 -3,-2.2 4,-2.3 1,-0.3 -1,-0.3 0.653 73.1 83.7 -69.0 -14.9 4.1 -1.5 4.6 782 70 D K H <> S+ 0 0 15 -3,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.810 83.8 62.0 -56.1 -30.0 0.4 -0.4 4.7 783 71 D I H <> S+ 0 0 3 -3,-1.5 4,-1.8 -4,-0.2 5,-0.2 0.991 110.4 32.8 -65.1 -61.0 0.5 -0.5 0.9 784 72 D P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.898 118.4 56.3 -61.3 -33.4 1.3 -4.1 0.4 785 73 D N H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.898 107.6 48.8 -63.6 -41.5 -0.7 -5.1 3.5 786 74 D A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.926 114.0 44.9 -67.5 -43.1 -3.8 -3.4 2.1 787 75 D I H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.960 116.0 46.3 -67.3 -43.9 -3.5 -5.0 -1.3 788 76 D I H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 6,-0.3 0.917 110.2 54.8 -64.6 -48.7 -2.8 -8.4 0.3 789 77 D G H <>S+ 0 0 0 -4,-3.0 6,-2.2 -5,-0.2 5,-0.8 0.869 112.5 42.2 -44.7 -45.3 -5.7 -7.8 2.7 790 78 D L H ><5S+ 0 0 10 -4,-2.3 3,-0.9 4,-0.2 -2,-0.2 0.887 111.4 56.0 -71.7 -38.2 -8.1 -7.2 -0.3 791 79 D E H 3<5S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.839 110.5 43.4 -66.4 -33.2 -6.7 -10.1 -2.3 792 80 D T T 3<5S- 0 0 30 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.539 112.5-116.2 -89.1 -4.1 -7.3 -12.6 0.5 793 81 D G T < 5S+ 0 0 51 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.449 83.5 121.9 77.8 4.3 -10.8 -11.2 1.2 794 82 D V S S- 0 0 54 -3,-0.1 3,-1.9 1,-0.0 -1,-0.2 -0.955 70.0 -54.6-167.2-172.7 -14.2 -4.4 -0.3 798 86 D E T 3 S+ 0 0 20 -2,-0.3 18,-0.5 1,-0.3 -2,-0.0 0.810 126.0 43.0 -42.0 -42.7 -13.6 -0.7 -1.0 799 87 D H T 3 S+ 0 0 53 16,-0.1 -1,-0.3 17,-0.1 -400,-0.0 0.150 75.6 138.9-104.7 13.3 -16.2 0.6 1.5 800 88 D Q < - 0 0 49 -3,-1.9 16,-0.5 1,-0.0 2,-0.4 -0.359 42.2-147.1 -57.9 136.7 -15.4 -1.7 4.5 801 89 D V E -G 815 0M 43 14,-0.2 2,-0.8 15,-0.1 14,-0.2 -0.930 2.4-145.0-109.2 136.1 -15.5 0.3 7.8 802 90 D F E G 814 0M 29 12,-3.7 12,-1.9 -2,-0.4 25,-0.1 -0.890 360.0 360.0-103.4 107.2 -13.2 -0.7 10.6 803 91 D K 0 0 190 -2,-0.8 10,-0.2 10,-0.2 9,-0.1 -0.579 360.0 360.0 -77.8 360.0 -15.1 -0.1 13.8 804 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 805 97 D R 0 0 94 0, 0.0 6,-0.1 0, 0.0 -722,-0.0 0.000 360.0 360.0 360.0-159.0 -5.9 2.9 24.3 806 98 D A + 0 0 39 -724,-0.2 2,-0.5 1,-0.1 -722,-0.3 0.486 360.0 62.8 -81.2 0.5 -3.2 5.5 24.7 807 99 D M > - 0 0 13 1,-0.1 3,-1.6 -724,-0.1 4,-0.1 -0.984 66.4-156.7-128.0 122.1 -3.8 7.1 21.3 808 100 D K G > S+ 0 0 136 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.835 93.6 71.9 -66.3 -28.6 -7.1 8.8 20.7 809 101 D Q G > S+ 0 0 96 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.862 92.4 57.4 -55.0 -31.7 -6.5 8.3 17.1 810 102 D W G < S+ 0 0 51 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.404 92.1 68.1 -87.1 2.3 -7.1 4.5 17.7 811 103 D E G < S+ 0 0 100 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 -0.209 83.1 89.0-112.9 42.9 -10.6 4.8 19.2 812 104 D R S < S- 0 0 46 -3,-0.5 2,-0.3 -9,-0.1 -10,-0.0 -0.937 78.7-110.7-132.0 152.9 -12.5 6.0 16.0 813 105 D D - 0 0 71 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.703 43.2-168.8 -78.0 147.7 -14.2 4.1 13.1 814 106 D L E -G 802 0M 8 -12,-1.9 -12,-3.7 -2,-0.3 2,-0.1 -0.971 22.8-134.0-140.9 146.8 -12.3 4.4 9.9 815 107 D T E > -G 801 0M 27 -2,-0.3 4,-2.8 -14,-0.2 5,-0.2 -0.350 47.0 -94.9 -76.5 174.1 -12.6 3.7 6.2 816 108 D L H > S+ 0 0 4 -16,-0.5 4,-2.2 -18,-0.5 5,-0.2 0.922 128.7 48.4 -58.3 -45.9 -9.7 2.0 4.3 817 109 D R H > S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.941 111.8 50.0 -62.7 -45.1 -8.4 5.3 3.2 818 110 D G H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.940 109.8 49.6 -58.5 -45.4 -8.6 6.6 6.8 819 111 D A H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.819 114.7 46.1 -64.0 -33.3 -6.8 3.6 8.2 820 112 D I H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.936 119.2 39.9 -69.6 -45.4 -4.0 4.0 5.6 821 113 D Q H < S+ 0 0 43 -4,-2.9 2,-0.3 -399,-0.3 -2,-0.2 0.627 114.1 47.9 -87.5 -15.4 -3.7 7.7 6.1 822 114 D V S < S- 0 0 28 -4,-2.4 2,-0.1 -5,-0.2 0, 0.0 -0.859 101.9 -80.8-122.8 159.8 -4.0 8.1 9.8 823 115 D S + 0 0 46 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.1 -0.406 59.0 155.2 -60.4 124.4 -2.4 6.3 12.7 824 116 D A > + 0 0 3 -5,-0.2 4,-1.5 -2,-0.1 3,-0.4 -0.427 3.8 162.8-152.2 55.0 -4.4 3.0 13.0 825 117 D V H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.928 72.7 50.9 -57.9 -48.9 -2.2 0.6 14.7 826 118 D P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.885 106.2 57.8 -55.9 -36.2 -4.7 -2.0 15.8 827 119 D V H > S+ 0 0 27 -3,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.913 110.7 39.1 -65.2 -46.8 -6.3 -2.1 12.3 828 120 D F H X S+ 0 0 7 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.824 112.8 57.0 -75.9 -29.9 -3.2 -3.2 10.4 829 121 D Q H X S+ 0 0 59 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.957 110.9 44.6 -60.9 -47.6 -2.1 -5.5 13.2 830 122 D Q H X S+ 0 0 78 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.902 110.7 52.7 -65.7 -38.6 -5.4 -7.3 12.9 831 123 D I H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.964 111.2 48.0 -59.0 -48.4 -5.3 -7.4 9.1 832 124 D A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.901 110.9 50.6 -62.0 -40.6 -1.8 -9.0 9.2 833 125 D R H < S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 111.8 47.5 -65.0 -41.7 -2.9 -11.5 11.8 834 126 D E H < S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.856 109.8 52.4 -69.0 -34.9 -5.9 -12.5 9.7 835 127 D V H < S- 0 0 3 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.933 102.1-156.4 -59.6 -50.0 -3.8 -12.8 6.6 836 128 D G X - 0 0 21 -4,-2.1 4,-2.4 -5,-0.2 5,-0.1 0.214 26.4 -79.2 86.0 161.6 -1.4 -15.1 8.4 837 129 D E H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.883 121.9 55.4 -63.3 -44.4 2.3 -16.0 7.8 838 130 D V H > S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 114.7 37.9 -56.9 -53.9 1.9 -18.4 5.0 839 131 D R H > S+ 0 0 85 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.890 113.7 56.6 -65.7 -41.6 -0.1 -16.1 2.8 840 132 D M H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.935 108.4 47.9 -55.7 -45.8 2.0 -13.1 3.8 841 133 D Q H X S+ 0 0 75 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.858 109.3 52.9 -60.0 -46.6 5.1 -14.8 2.7 842 134 D K H X S+ 0 0 90 -4,-1.7 4,-2.1 -5,-0.2 3,-0.2 0.946 112.4 44.7 -55.8 -50.2 3.6 -15.9 -0.6 843 135 D Y H X S+ 0 0 19 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.861 108.2 55.4 -66.6 -38.3 2.5 -12.4 -1.5 844 136 D L H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 4,-0.3 0.817 109.8 49.9 -65.5 -28.2 5.8 -10.7 -0.4 845 137 D K H ><5S+ 0 0 150 -4,-1.4 3,-1.0 -3,-0.2 -2,-0.2 0.915 109.7 49.0 -71.3 -45.3 7.5 -13.1 -2.8 846 138 D K H 3<5S+ 0 0 92 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.3 44.8 -61.7 -32.8 5.1 -12.3 -5.7 847 139 D F T 3<5S- 0 0 10 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.441 103.8-129.8 -90.6 -3.7 5.7 -8.5 -5.0 848 140 D S T < 5 - 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