==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAY-06 2H10 . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR F.VAN DEN AKKER,P.S.PADAYATTI . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 69.4 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 . 40 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 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 . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 0 0 1 0 0 2 1 2 1 1 0 0 1 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 . 1 2 0 1 0 0 1 2 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 . 1 1 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 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 26 A S 0 0 66 0, 0.0 254,-0.0 0, 0.0 253,-0.0 0.000 360.0 360.0 360.0 150.4 61.5 58.1 9.7 2 27 A P - 0 0 55 0, 0.0 259,-0.1 0, 0.0 260,-0.1 -0.119 360.0 -64.2 -77.8-178.3 61.7 58.5 13.5 3 28 A Q > - 0 0 101 1,-0.1 4,-2.4 258,-0.1 5,-0.2 -0.313 56.5-105.1 -64.3 154.6 60.1 56.1 16.0 4 29 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.910 119.2 47.7 -48.1 -54.2 56.2 56.1 15.8 5 30 A L H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 112.3 50.1 -59.6 -37.2 55.7 58.2 19.0 6 31 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 110.3 49.6 -70.4 -35.9 58.3 60.7 17.9 7 32 A Q H X S+ 0 0 16 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 108.2 54.0 -66.7 -41.3 56.6 61.1 14.5 8 33 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.940 109.9 47.2 -57.2 -45.7 53.2 61.5 16.1 9 34 A K H X S+ 0 0 89 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.941 109.9 52.4 -62.4 -45.6 54.6 64.4 18.2 10 35 A L H X S+ 0 0 74 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.892 106.7 55.2 -56.3 -39.5 56.3 66.0 15.2 11 36 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 6,-0.3 0.894 107.6 47.2 -62.9 -40.7 52.9 65.8 13.5 12 37 A E H X>S+ 0 0 30 -4,-1.9 4,-2.2 2,-0.2 5,-0.7 0.922 112.9 50.8 -65.7 -42.1 51.2 67.8 16.3 13 38 A S H <5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.1 41.6 -59.0 -45.9 54.0 70.3 16.2 14 39 A Q H <5S+ 0 0 115 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.3 38.5 -73.2 -35.9 53.7 70.8 12.5 15 40 A L H <5S- 0 0 6 -4,-2.6 228,-0.4 -5,-0.2 -2,-0.2 0.675 92.9-136.8 -87.8 -18.0 49.9 70.8 12.3 16 41 A S T <5S+ 0 0 94 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.805 72.7 102.0 62.4 29.8 49.3 72.8 15.5 17 42 A G S -A 232 0A 23 5,-2.5 4,-2.4 -2,-0.3 207,-0.3 -0.558 28.7-149.0 -66.2 125.8 47.3 43.7 17.2 26 51 A L T 4 S+ 0 0 21 205,-2.4 -1,-0.2 -2,-0.4 206,-0.1 0.917 91.2 48.9 -66.0 -42.5 44.1 42.7 15.4 27 52 A A T 4 S+ 0 0 72 204,-0.5 -1,-0.2 1,-0.2 205,-0.1 0.905 130.0 14.7 -66.6 -42.4 44.2 39.1 16.6 28 53 A S T 4 S- 0 0 71 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.685 92.1-120.2-110.1 -19.8 44.8 39.7 20.3 29 54 A G < + 0 0 18 -4,-2.4 2,-0.2 1,-0.3 -3,-0.1 0.510 49.6 164.4 89.5 5.2 44.1 43.3 21.0 30 55 A R - 0 0 104 -5,-0.1 -5,-2.5 -6,-0.1 2,-0.6 -0.381 34.5-135.5 -58.8 124.5 47.6 44.0 22.3 31 56 A T E +B 24 0A 78 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.759 31.3 169.9 -87.7 118.4 48.1 47.8 22.4 32 57 A L E + 0 0 36 -9,-2.7 2,-0.4 -2,-0.6 -1,-0.2 0.866 68.0 17.4 -91.6 -47.1 51.5 48.8 20.9 33 58 A T E +B 23 0A 8 -10,-1.2 -10,-2.1 -29,-0.0 2,-0.4 -0.989 62.2 175.9-129.8 138.8 51.2 52.5 20.6 34 59 A A E +B 22 0A 55 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.933 4.0 168.3-146.8 117.7 48.7 54.8 22.3 35 60 A W E S-B 21 0A 56 -14,-2.6 -14,-3.0 -2,-0.4 4,-0.1 -0.983 79.8 -19.7-134.8 121.8 48.7 58.6 22.1 36 61 A R S > S+ 0 0 73 -2,-0.4 3,-1.5 -16,-0.2 123,-0.1 0.838 87.7 155.9 48.6 36.2 45.7 60.7 23.3 37 62 A A T 3 + 0 0 11 1,-0.3 122,-2.5 -16,-0.2 123,-0.5 0.657 66.1 45.0 -68.7 -16.9 43.9 57.4 23.0 38 63 A D T 3 S+ 0 0 139 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.223 92.7 102.9-109.0 11.2 41.2 58.3 25.5 39 64 A E S < S- 0 0 59 -3,-1.5 2,-0.2 -4,-0.1 120,-0.1 -0.683 77.2-106.8 -93.2 151.4 40.6 61.8 24.2 40 65 A R + 0 0 88 -2,-0.3 117,-0.2 117,-0.2 -2,-0.1 -0.532 38.3 173.7 -80.5 141.5 37.6 62.6 22.0 41 66 A F E -E 156 0B 0 115,-2.2 115,-2.1 -2,-0.2 2,-0.2 -0.988 41.4 -97.5-143.1 145.6 37.9 63.1 18.2 42 67 A P E -E 155 0B 7 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.477 27.3-150.1 -65.1 130.5 35.2 63.6 15.6 43 68 A M > + 0 0 4 111,-2.2 3,-2.0 93,-0.2 4,-0.2 0.775 29.3 174.4 -70.5 -25.1 34.6 60.3 13.9 44 69 A V G > - 0 0 0 110,-0.5 3,-1.7 100,-0.5 4,-0.1 -0.157 67.7 -14.6 43.1-143.9 33.7 62.0 10.6 45 70 A S G > S+ 0 0 12 1,-0.3 3,-1.7 167,-0.2 -1,-0.3 0.585 119.9 84.2 -64.4 -7.3 33.1 59.4 7.9 46 71 A T G X> S+ 0 0 0 -3,-2.0 3,-1.5 1,-0.3 4,-0.7 0.741 72.8 77.4 -67.8 -15.1 34.8 56.5 9.8 47 72 A F H <> S+ 0 0 0 -3,-1.7 4,-2.5 1,-0.3 -1,-0.3 0.766 76.0 77.6 -63.4 -20.6 31.4 56.0 11.5 48 73 A K H <> S+ 0 0 1 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.793 88.4 55.1 -61.8 -28.1 30.3 54.2 8.3 49 74 A V H <> S+ 0 0 0 -3,-1.5 4,-1.4 -4,-0.2 -1,-0.2 0.948 110.2 44.2 -69.6 -46.4 32.2 51.1 9.3 50 75 A V H X S+ 0 0 2 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.891 109.4 59.6 -63.5 -38.7 30.5 50.8 12.7 51 76 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.2 0.940 107.1 44.1 -53.1 -51.3 27.2 51.6 10.9 52 77 A a H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.759 106.4 60.8 -72.1 -19.8 27.5 48.5 8.7 53 78 A G H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.908 106.1 48.2 -69.5 -37.7 28.6 46.4 11.6 54 79 A A H X S+ 0 0 3 -4,-2.0 4,-1.6 -3,-0.2 -2,-0.2 0.880 111.0 50.7 -67.8 -36.4 25.2 47.2 13.1 55 80 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.930 109.1 50.2 -66.5 -43.4 23.5 46.3 9.8 56 81 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.858 105.4 57.5 -64.6 -31.8 25.3 43.0 9.7 57 82 A A H X S+ 0 0 27 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.913 106.8 49.1 -65.0 -38.0 24.2 42.3 13.2 58 83 A R H <>S+ 0 0 76 -4,-1.6 5,-2.6 2,-0.2 6,-0.9 0.883 110.0 50.8 -66.7 -37.5 20.6 42.7 12.1 59 84 A V H ><5S+ 0 0 37 -4,-2.0 3,-1.4 4,-0.2 -2,-0.2 0.934 109.0 51.5 -64.2 -45.1 21.2 40.4 9.2 60 85 A D H 3<5S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.3 50.6 -58.8 -36.0 22.6 37.8 11.5 61 86 A A T 3<5S- 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.515 117.6-113.7 -80.7 -7.8 19.6 38.0 13.7 62 87 A G T < 5S+ 0 0 62 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.624 90.5 110.5 84.0 13.1 17.3 37.6 10.7 63 88 A D S - 0 0 116 -2,-0.3 3,-0.8 1,-0.1 29,-0.4 -0.997 17.5-143.0-135.5 134.7 18.8 40.8 4.5 66 91 A L T 3 S+ 0 0 26 -2,-0.4 29,-2.7 1,-0.2 30,-0.4 0.780 105.9 59.0 -67.9 -20.7 21.7 42.3 2.5 67 92 A E T 3 S+ 0 0 138 27,-0.2 -1,-0.2 26,-0.2 29,-0.0 0.749 76.5 115.7 -76.0 -24.4 19.6 41.4 -0.5 68 93 A R < - 0 0 98 -3,-0.8 26,-1.7 25,-0.1 2,-0.5 -0.218 63.3-135.4 -53.8 124.2 16.6 43.5 0.5 69 94 A K E -G 93 0C 91 24,-0.2 2,-0.5 25,-0.1 24,-0.3 -0.702 14.7-159.3 -87.5 126.4 16.1 46.3 -2.1 70 95 A I E -G 92 0C 23 22,-3.3 22,-2.0 -2,-0.5 2,-0.5 -0.883 3.8-156.4-104.3 127.6 15.4 49.8 -0.7 71 96 A H + 0 0 122 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.889 19.8 174.6-104.8 132.2 13.7 52.3 -3.0 72 97 A Y - 0 0 9 -2,-0.5 2,-0.3 15,-0.3 19,-0.1 -0.788 22.7-119.0-130.5 175.8 14.3 55.9 -2.2 73 98 A R > - 0 0 157 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.750 27.4-111.5-115.8 162.4 13.5 59.3 -3.7 74 99 A Q G > S+ 0 0 143 1,-0.3 3,-1.8 -2,-0.3 -1,-0.1 0.871 117.1 62.8 -58.5 -36.9 15.6 62.3 -4.9 75 100 A Q G 3 S+ 0 0 158 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.671 96.3 61.3 -62.6 -16.3 14.3 64.3 -1.9 76 101 A D G < S+ 0 0 70 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.608 83.4 103.1 -85.6 -13.7 16.1 61.7 0.3 77 102 A L < - 0 0 43 -3,-1.8 2,-0.2 -4,-0.4 4,-0.1 -0.481 50.1-170.2 -76.3 141.1 19.5 62.5 -1.1 78 103 A V - 0 0 44 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.659 45.1 -48.2-117.9 177.8 22.1 64.5 0.7 79 104 A D S S+ 0 0 128 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.217 117.0 16.5 -52.4 124.4 25.4 66.0 -0.3 80 105 A Y + 0 0 117 1,-0.1 27,-2.7 27,-0.1 28,-0.4 0.982 63.0 154.6 73.3 88.1 27.7 63.5 -2.0 81 106 A S > + 0 0 6 25,-0.2 4,-2.3 26,-0.2 5,-0.2 -0.509 3.3 161.4-138.0 61.4 25.9 60.5 -3.3 82 107 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.797 82.6 27.2 -56.9 -32.5 28.0 59.2 -6.2 83 108 A V T >4 S+ 0 0 34 2,-0.1 3,-1.8 -3,-0.1 4,-0.2 0.891 120.9 50.1 -94.7 -53.0 26.4 55.8 -6.2 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.805 100.4 63.8 -59.8 -31.8 22.9 56.4 -4.7 85 110 A E G 3< S+ 0 0 107 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.712 98.2 59.6 -67.2 -14.1 22.1 59.3 -7.1 86 111 A K G < S+ 0 0 138 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.501 101.2 53.8 -90.9 -2.0 22.4 56.7 -9.9 87 112 A H <> + 0 0 44 -3,-1.7 4,-2.3 -4,-0.2 -15,-0.3 -0.082 58.9 119.9-126.4 38.1 19.6 54.4 -8.6 88 113 A L T 4 S+ 0 0 58 -3,-0.5 -1,-0.1 1,-0.2 -16,-0.1 0.830 85.9 43.9 -67.5 -30.3 16.6 56.6 -8.1 89 114 A A T 4 S+ 0 0 100 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.867 127.5 23.8 -82.6 -38.0 14.7 54.4 -10.6 90 115 A D T 4 S- 0 0 77 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.1 0.536 94.1-139.9-110.2 -6.2 15.8 51.0 -9.5 91 116 A G < - 0 0 1 -4,-2.3 2,-0.3 -19,-0.1 -20,-0.2 -0.054 16.8 -97.9 74.4 178.2 16.8 51.3 -5.8 92 117 A M E -G 70 0C 1 -22,-2.0 -22,-3.3 -4,-0.1 2,-0.1 -0.985 25.8-116.5-138.0 145.9 19.8 49.6 -4.0 93 118 A T E > -G 69 0C 30 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.415 32.2-112.0 -76.7 161.1 20.1 46.5 -1.9 94 119 A V H > S+ 0 0 0 -26,-1.7 4,-2.2 -29,-0.4 5,-0.2 0.920 121.6 51.5 -58.0 -43.6 21.1 47.0 1.7 95 120 A G H > S+ 0 0 12 -29,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 109.2 49.9 -60.8 -41.3 24.4 45.2 0.9 96 121 A E H > S+ 0 0 85 -30,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.865 107.5 55.0 -64.5 -37.2 24.9 47.6 -2.0 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.920 108.5 47.2 -63.0 -42.8 24.2 50.5 0.3 98 123 A a H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.907 111.4 51.4 -65.0 -39.9 26.9 49.4 2.8 99 124 A A H X S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.2 5,-0.4 0.926 114.0 44.5 -62.5 -41.9 29.4 48.9 -0.1 100 125 A A H X S+ 0 0 3 -4,-2.5 6,-2.2 3,-0.2 4,-1.4 0.913 114.1 48.6 -69.7 -41.0 28.6 52.4 -1.3 101 126 A A H < S+ 0 0 0 -4,-3.0 4,-0.4 4,-0.3 -2,-0.2 0.928 123.1 32.2 -64.7 -43.3 28.8 54.0 2.2 102 127 A I H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.945 126.2 36.8 -82.5 -47.5 32.1 52.3 3.1 103 128 A T H < S+ 0 0 19 -4,-2.5 87,-2.4 -5,-0.4 88,-0.7 0.715 136.3 19.2 -82.0 -19.2 33.9 52.1 -0.3 104 129 A M S < S- 0 0 54 -4,-1.4 -3,-0.2 -5,-0.4 -1,-0.2 0.423 95.8-125.0-124.5 -5.6 32.7 55.5 -1.8 105 130 A S - 0 0 14 -5,-0.5 2,-0.5 -4,-0.4 -4,-0.3 0.858 39.7-175.9 57.4 39.9 31.6 57.3 1.4 106 131 A D > - 0 0 0 -6,-2.2 4,-1.7 1,-0.2 -1,-0.2 -0.518 12.8-159.3 -66.0 117.1 28.2 57.8 -0.2 107 132 A N H > S+ 0 0 19 -27,-2.7 4,-2.2 -2,-0.5 34,-0.2 0.843 86.1 51.4 -73.8 -34.6 26.3 59.9 2.3 108 133 A S H > S+ 0 0 1 -28,-0.4 4,-2.4 -30,-0.3 -1,-0.2 0.883 109.7 52.1 -68.9 -36.6 22.8 59.2 1.2 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.934 109.5 50.2 -63.9 -42.5 23.5 55.4 1.4 110 135 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.912 111.3 48.2 -60.6 -42.1 24.8 56.0 4.9 111 136 A N H X S+ 0 0 21 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.879 109.0 52.3 -67.7 -37.2 21.7 57.8 5.9 112 137 A L H X S+ 0 0 33 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.931 114.1 43.8 -63.2 -44.2 19.4 55.2 4.4 113 138 A L H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.884 108.7 58.1 -65.8 -40.6 21.2 52.5 6.4 114 139 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 3,-0.9 0.895 102.9 53.7 -58.1 -40.9 21.2 54.7 9.5 115 140 A A H ><5S+ 0 0 60 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.892 102.8 58.3 -62.8 -37.9 17.4 54.8 9.4 116 141 A T H 3<5S+ 0 0 29 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.714 108.1 45.6 -65.6 -20.7 17.3 51.0 9.3 117 142 A V T <<5S- 0 0 18 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.239 131.0 -85.4-106.4 14.0 19.2 50.7 12.6 118 143 A G T <>5 - 0 0 52 -3,-1.4 4,-1.5 -4,-0.2 3,-0.3 0.693 67.2 -89.9 95.3 19.5 17.2 53.4 14.5 119 144 A G H > S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 17,-0.5 0.871 143.9 50.9 -51.2 -40.0 22.1 58.0 15.4 121 146 A A H > S+ 0 0 75 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.890 109.1 50.4 -67.0 -39.8 20.5 57.0 18.7 122 147 A G H X S+ 0 0 20 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.892 111.4 47.7 -64.7 -41.9 20.0 53.4 17.4 123 148 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.897 111.1 51.3 -66.7 -40.2 23.6 53.2 16.3 124 149 A T H X S+ 0 0 23 -4,-2.3 4,-2.3 13,-0.3 -2,-0.2 0.892 108.9 51.1 -63.4 -37.6 24.8 54.5 19.7 125 150 A A H X S+ 0 0 43 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.896 107.7 53.0 -67.5 -38.1 22.6 51.9 21.5 126 151 A F H X S+ 0 0 26 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.913 108.0 51.1 -61.1 -42.5 24.2 49.2 19.3 127 152 A L H ><>S+ 0 0 2 -4,-2.1 5,-2.7 1,-0.2 3,-0.6 0.929 108.6 51.1 -60.6 -43.7 27.7 50.5 20.4 128 153 A R H ><5S+ 0 0 87 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.880 106.4 56.6 -61.2 -36.2 26.6 50.3 24.0 129 154 A Q H 3<5S+ 0 0 150 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.758 106.5 47.6 -67.6 -27.3 25.5 46.7 23.4 130 155 A I T <<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.313 128.0 -96.3 -96.4 8.8 28.9 45.6 22.2 131 156 A G T < 5S+ 0 0 39 -3,-1.1 2,-0.8 1,-0.2 -3,-0.2 0.646 81.7 131.6 93.2 13.9 30.6 47.3 25.1 132 157 A D < + 0 0 6 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.893 22.3 170.9-100.2 108.7 31.6 50.6 23.7 133 158 A N S S+ 0 0 116 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.255 70.8 48.9-102.2 12.0 30.5 53.2 26.3 134 159 A V S S+ 0 0 45 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.773 82.2 86.4-114.8 -51.8 32.3 56.1 24.7 135 160 A T - 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.258 55.6-178.8 -58.3 136.5 31.6 56.4 21.0 136 161 A R B -F 155 0B 73 19,-2.5 19,-0.5 16,-0.1 2,-0.5 -0.997 22.8-160.4-143.6 136.0 28.5 58.3 20.1 137 162 A L + 0 0 2 -17,-0.5 -13,-0.3 -2,-0.3 -14,-0.1 -0.967 21.5 160.2-112.2 131.2 26.7 59.2 16.9 138 163 A D + 0 0 58 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.628 55.6 41.3-122.4 -24.2 24.3 62.1 17.3 139 164 A R S S- 0 0 33 -19,-0.1 -1,-0.1 -20,-0.1 2,-0.1 -0.753 80.0 -96.7-126.9 169.5 23.7 63.5 13.8 140 165 A W >> - 0 0 96 -2,-0.2 3,-2.4 -3,-0.1 4,-1.5 -0.383 54.1 -78.1 -84.6 166.8 23.1 62.3 10.2 141 166 A A T 34 S+ 0 0 1 1,-0.3 4,-0.1 -34,-0.2 -33,-0.1 0.579 123.3 38.3 -35.7 -42.0 25.6 62.0 7.4 142 167 A T T 34 S+ 0 0 41 1,-0.1 -1,-0.3 2,-0.1 -63,-0.0 0.227 118.5 45.3-105.0 18.3 26.1 65.5 6.3 143 168 A E T X4 S+ 0 0 93 -3,-2.4 3,-1.2 2,-0.0 -2,-0.2 0.487 91.7 78.2-125.6 -19.8 25.9 67.3 9.7 144 169 A L T 3< S+ 0 0 2 -4,-1.5 -100,-0.5 1,-0.2 3,-0.3 0.492 82.5 68.2 -73.6 -1.5 28.2 65.1 11.8 145 170 A N T 3 + 0 0 32 1,-0.2 69,-2.9 -102,-0.1 -1,-0.2 0.328 64.6 103.8 -99.6 8.2 31.4 66.6 10.3 146 171 A E < - 0 0 80 -3,-1.2 -1,-0.2 67,-0.2 -2,-0.1 0.827 59.5-165.3 -59.3 -35.4 31.1 70.0 11.8 147 172 A A - 0 0 9 -3,-0.3 93,-0.2 1,-0.2 -1,-0.1 0.849 7.8-172.4 51.2 47.5 33.7 69.3 14.5 148 173 A L > - 0 0 56 1,-0.1 3,-1.9 5,-0.1 -1,-0.2 -0.430 33.3-102.4 -68.6 138.3 33.0 72.2 16.8 149 174 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.377 106.5 13.4 -63.1 138.8 35.6 72.5 19.6 150 175 A G T 3 S+ 0 0 83 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.382 93.8 131.1 79.7 -5.8 34.3 71.1 22.9 151 176 A D < - 0 0 33 -3,-1.9 -1,-0.2 1,-0.1 -4,-0.0 -0.723 40.6-167.4 -85.3 120.4 31.4 69.4 21.1 152 177 A A > + 0 0 34 -2,-0.6 3,-0.8 -3,-0.1 -16,-0.1 0.554 49.9 116.3 -83.4 -9.8 31.0 65.8 22.2 153 178 A R T 3 S+ 0 0 88 1,-0.2 -6,-0.1 -5,-0.1 -16,-0.1 -0.293 81.3 5.5 -63.1 144.3 28.6 64.9 19.5 154 179 A D T 3 S+ 0 0 1 1,-0.2 -111,-2.2 -112,-0.1 -110,-0.5 0.867 100.2 134.2 53.6 45.7 29.6 62.4 16.8 155 180 A T E < +EF 42 136B 1 -3,-0.8 -19,-2.5 -19,-0.5 2,-0.3 -0.779 31.1 177.0-123.1 165.5 32.9 61.5 18.5 156 181 A T E -E 41 0B 0 -115,-2.1 -115,-2.2 -2,-0.3 3,-0.1 -0.807 27.4-119.9-144.7-177.0 34.9 58.4 19.5 157 182 A T > - 0 0 5 -2,-0.3 4,-2.8 -117,-0.2 5,-0.3 -0.932 27.1-114.7-125.4 157.7 38.3 57.9 21.1 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.938 118.0 46.8 -57.6 -43.3 41.2 56.1 19.4 159 184 A A H > S+ 0 0 27 -122,-2.5 4,-2.3 2,-0.2 5,-0.2 0.898 113.6 47.7 -63.6 -43.1 41.0 53.3 22.0 160 185 A S H > S+ 0 0 19 -123,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.932 113.5 47.0 -65.4 -46.5 37.3 53.0 21.8 161 186 A M H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.928 112.5 48.9 -63.7 -44.2 37.2 52.9 18.0 162 187 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.939 113.1 47.5 -61.1 -46.2 40.0 50.3 17.8 163 188 A A H X S+ 0 0 36 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.901 113.1 49.1 -61.7 -40.7 38.4 48.1 20.4 164 189 A T H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 111.0 48.1 -67.5 -42.2 35.0 48.3 18.6 165 190 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.930 111.5 51.0 -65.5 -42.0 36.5 47.5 15.2 166 191 A R H X>S+ 0 0 65 -4,-2.6 4,-2.4 -5,-0.2 5,-0.6 0.916 109.5 51.3 -60.6 -41.7 38.3 44.6 16.6 167 192 A K H X5S+ 0 0 41 -4,-2.3 4,-1.2 1,-0.2 6,-0.7 0.911 112.8 45.2 -59.9 -43.7 35.0 43.4 18.2 168 193 A L H <5S+ 0 0 1 -4,-2.3 6,-0.3 1,-0.2 -2,-0.2 0.914 119.2 40.8 -67.0 -41.2 33.2 43.6 14.9 169 194 A L H <5S+ 0 0 14 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.761 134.4 6.2 -82.1 -25.2 35.9 42.0 12.9 170 195 A T H <5S+ 0 0 44 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.603 98.2 86.1-137.8 -11.3 37.0 39.2 15.1 171 196 A S S < - 0 0 46 -2,-0.3 4,-2.8 -119,-0.2 5,-0.2 -0.201 36.2-104.7 -65.0 163.2 28.7 35.6 12.2 176 201 A A H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.931 123.2 48.8 -55.0 -47.8 31.7 34.3 10.3 177 202 A R H > S+ 0 0 199 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 111.7 49.1 -61.3 -40.8 30.1 35.5 7.0 178 203 A S H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 109.4 51.0 -67.6 -39.9 29.3 38.9 8.4 179 204 A Q H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.913 111.7 49.0 -61.0 -42.1 32.9 39.4 9.7 180 205 A R H X S+ 0 0 178 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.869 110.7 50.6 -65.6 -36.4 34.2 38.4 6.3 181 206 A Q H X S+ 0 0 56 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.910 108.8 49.7 -67.5 -44.2 31.9 40.9 4.6 182 207 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.910 112.7 48.9 -63.6 -40.2 32.8 43.8 6.8 183 208 A L H X S+ 0 0 57 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.937 109.2 51.4 -64.3 -46.2 36.5 43.1 6.2 184 209 A Q H X S+ 0 0 90 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.896 105.8 55.1 -61.2 -39.4 36.0 42.9 2.4 185 210 A W H < S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.905 110.6 46.1 -60.2 -40.1 34.1 46.3 2.3 186 211 A M H >< S+ 0 0 1 -4,-1.6 22,-2.1 1,-0.2 3,-1.3 0.882 110.6 52.0 -68.7 -37.9 37.1 47.9 4.0 187 212 A V H 3< S+ 0 0 32 -4,-2.4 -2,-0.2 20,-0.3 -1,-0.2 0.888 107.5 56.1 -63.3 -35.3 39.5 46.1 1.7 188 213 A D T 3< S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.366 72.4 143.3 -81.1 7.0 37.4 47.5 -1.2 189 214 A D < - 0 0 0 -3,-1.3 -86,-0.2 19,-0.2 -85,-0.1 -0.220 27.0-175.0 -51.5 127.0 37.7 51.2 -0.2 190 215 A R S S+ 0 0 140 -87,-2.4 -1,-0.2 3,-0.2 -86,-0.2 0.620 72.6 64.8 -98.1 -16.5 37.9 53.2 -3.4 191 216 A V S S- 0 0 72 -88,-0.7 -1,-0.1 1,-0.1 4,-0.1 0.930 128.3 -6.6 -74.4 -47.1 38.5 56.6 -1.8 192 217 A A S > S+ 0 0 11 16,-0.1 4,-2.9 -89,-0.1 5,-0.3 0.640 113.3 84.8-122.4 -25.9 41.9 56.1 -0.2 193 218 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 94.1 42.5 -46.4 -60.2 42.7 52.4 -0.6 194 219 A P H > S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.892 115.6 51.2 -57.8 -41.0 44.3 52.5 -4.1 195 220 A L H > S+ 0 0 112 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.925 110.0 48.6 -62.7 -46.7 46.2 55.7 -3.3 196 221 A I H >X S+ 0 0 36 -4,-2.9 3,-1.0 1,-0.2 4,-0.8 0.922 109.6 52.8 -61.4 -41.9 47.6 54.1 -0.1 197 222 A R H >< S+ 0 0 101 -4,-2.5 3,-0.8 -5,-0.3 -1,-0.2 0.879 101.7 60.8 -60.8 -34.9 48.7 51.0 -2.0 198 223 A S H 3< S+ 0 0 88 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.746 113.4 36.0 -64.3 -24.7 50.5 53.1 -4.5 199 224 A V H << S+ 0 0 108 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.388 97.1 98.2-109.2 2.4 52.8 54.5 -1.7 200 225 A L S << S- 0 0 31 -3,-0.8 3,-0.1 -4,-0.8 6,-0.0 -0.714 79.9-111.0 -90.9 143.0 53.1 51.3 0.4 201 226 A P > - 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