==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-10 3OPP . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR J.M.SAMPSON,F.VAN DEN AKKER . 259 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 71.0 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 15.4 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 . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 35.1 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 72 0, 0.0 249,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 151.7 61.5 58.3 9.6 2 27 A P - 0 0 44 0, 0.0 254,-0.1 0, 0.0 255,-0.1 -0.202 360.0 -66.1 -73.6-179.5 61.6 58.7 13.4 3 28 A Q > - 0 0 74 1,-0.1 4,-2.7 253,-0.1 5,-0.2 -0.258 53.7-104.6 -62.4 155.2 59.9 56.3 15.8 4 29 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.926 121.8 46.0 -48.9 -53.3 56.0 56.2 15.7 5 30 A L H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.881 112.4 51.1 -59.0 -41.9 55.6 58.3 18.9 6 31 A E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 112.0 47.4 -60.7 -46.1 58.3 60.8 17.8 7 32 A Q H X S+ 0 0 21 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.881 107.6 55.3 -63.7 -41.3 56.5 61.3 14.4 8 33 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.935 110.0 47.0 -57.2 -46.3 53.0 61.7 16.1 9 34 A K H X S+ 0 0 119 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.926 110.0 52.3 -59.3 -48.4 54.4 64.5 18.2 10 35 A L H X S+ 0 0 72 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.872 106.2 56.1 -54.6 -39.8 56.1 66.1 15.1 11 36 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 6,-0.3 0.923 107.2 47.3 -62.5 -43.6 52.7 66.0 13.4 12 37 A E H X>S+ 0 0 30 -4,-1.9 4,-2.0 2,-0.2 5,-0.6 0.909 112.8 49.9 -60.2 -43.4 51.0 67.9 16.2 13 38 A S H <5S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.7 42.5 -61.5 -42.8 53.8 70.5 16.2 14 39 A Q H <5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 122.5 37.5 -74.9 -33.6 53.5 70.9 12.4 15 40 A L H <5S- 0 0 6 -4,-2.3 223,-0.4 -5,-0.2 -1,-0.2 0.647 92.8-137.1 -91.6 -18.2 49.7 70.9 12.2 16 41 A S T <5S+ 0 0 97 -4,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.734 71.8 104.7 58.5 24.6 49.0 72.9 15.5 17 42 A G S -A 227 0A 38 5,-2.7 4,-2.2 -2,-0.4 202,-0.3 -0.527 28.2-147.0 -63.1 124.8 47.1 43.7 17.2 26 51 A L T 4 S+ 0 0 21 200,-2.6 -1,-0.2 -2,-0.3 201,-0.1 0.931 92.0 47.0 -63.9 -46.0 43.9 42.7 15.5 27 52 A A T 4 S+ 0 0 74 199,-0.5 -1,-0.2 1,-0.2 200,-0.1 0.898 130.1 16.2 -64.7 -40.4 44.0 39.1 16.7 28 53 A S T 4 S- 0 0 73 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.686 92.5-121.1-108.8 -23.3 44.7 39.7 20.4 29 54 A G < + 0 0 20 -4,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.532 49.3 164.7 85.1 8.3 44.0 43.4 21.1 30 55 A R - 0 0 125 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.6 -0.413 34.0-136.4 -59.3 125.1 47.5 44.1 22.3 31 56 A T E +B 24 0A 71 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.802 29.8 171.4 -88.4 117.2 48.0 47.9 22.3 32 57 A L E + 0 0 33 -9,-2.8 2,-0.4 -2,-0.6 -1,-0.2 0.843 68.7 15.8 -90.4 -46.0 51.4 48.8 20.8 33 58 A T E +B 23 0A 8 -10,-1.1 -10,-2.4 -29,-0.0 -1,-0.3 -0.995 63.4 175.7-132.2 135.0 51.1 52.7 20.5 34 59 A A E +B 22 0A 53 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.935 3.1 169.9-143.9 118.5 48.6 54.9 22.3 35 60 A W E S-B 21 0A 54 -14,-2.6 -14,-2.8 -2,-0.3 4,-0.1 -0.990 80.0 -18.2-134.2 121.2 48.6 58.7 22.1 36 61 A R S > S+ 0 0 73 -2,-0.4 3,-1.4 -16,-0.2 118,-0.1 0.847 88.0 157.2 49.3 39.6 45.7 60.7 23.4 37 62 A A T 3 + 0 0 12 1,-0.3 117,-2.4 -16,-0.1 118,-0.4 0.686 66.5 45.0 -74.6 -17.1 43.9 57.4 23.1 38 63 A D T 3 S+ 0 0 140 115,-0.1 -1,-0.3 114,-0.1 2,-0.2 0.302 92.0 104.3-105.4 5.4 41.2 58.4 25.6 39 64 A E S < S- 0 0 59 -3,-1.4 2,-0.3 -4,-0.1 115,-0.1 -0.611 75.9-107.7 -85.7 150.7 40.6 61.8 24.2 40 65 A R + 0 0 82 -2,-0.2 112,-0.2 112,-0.2 -2,-0.1 -0.586 38.2 173.4 -83.3 137.1 37.4 62.6 22.1 41 66 A F E -E 151 0B 0 110,-2.5 110,-2.4 -2,-0.3 2,-0.2 -0.976 40.9 -97.3-136.2 147.4 37.6 63.2 18.4 42 67 A P E -E 150 0B 18 0, 0.0 108,-0.3 0, 0.0 191,-0.1 -0.508 26.8-150.3 -62.5 129.0 34.9 63.7 15.7 43 68 A M > + 0 0 4 106,-2.3 3,-1.8 -2,-0.2 107,-0.1 0.785 28.0 174.7 -67.9 -32.7 34.2 60.3 14.0 44 69 A M G > - 0 0 32 105,-0.6 3,-1.5 1,-0.3 -1,-0.2 -0.242 69.6 -15.8 51.8-139.5 33.2 62.0 10.8 45 70 A S G > S+ 0 0 22 162,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.581 119.7 86.1 -71.5 -11.2 32.6 59.3 8.1 46 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.6 0.753 73.5 74.9 -60.6 -22.0 34.4 56.6 10.1 47 72 A F H <> S+ 0 0 28 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.767 77.0 78.8 -56.7 -23.4 31.0 55.9 11.9 48 73 A K H <> S+ 0 0 1 -3,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.768 87.7 54.9 -63.6 -28.6 29.8 54.2 8.6 49 74 A V H <> S+ 0 0 2 -3,-1.3 4,-1.7 -4,-0.2 -1,-0.2 0.934 110.5 44.4 -63.0 -49.5 31.8 51.0 9.5 50 75 A V H X S+ 0 0 3 -4,-0.6 4,-2.1 -3,-0.2 -2,-0.2 0.902 110.6 57.3 -62.6 -41.4 30.0 50.7 12.9 51 76 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.925 109.1 43.6 -52.6 -51.8 26.7 51.5 11.2 52 77 A a H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.782 106.7 61.2 -73.3 -24.5 27.1 48.5 8.9 53 78 A G H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.924 107.0 46.5 -59.2 -44.4 28.3 46.4 11.8 54 79 A A H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.885 110.7 52.4 -64.0 -41.5 24.8 47.1 13.3 55 80 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.943 109.4 49.2 -58.7 -48.1 23.2 46.3 9.9 56 81 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.840 105.7 57.2 -60.6 -35.9 25.0 43.0 9.8 57 82 A A H X S+ 0 0 26 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.909 107.0 49.0 -62.5 -39.6 23.9 42.2 13.4 58 83 A R H <>S+ 0 0 67 -4,-1.9 5,-2.9 2,-0.2 6,-0.8 0.877 110.3 51.2 -64.4 -37.7 20.3 42.6 12.2 59 84 A V H ><5S+ 0 0 37 -4,-1.8 3,-1.9 4,-0.2 5,-0.2 0.961 110.1 48.9 -62.7 -50.0 21.0 40.3 9.3 60 85 A D H 3<5S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.858 110.4 51.5 -55.7 -41.0 22.5 37.6 11.6 61 86 A A T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.482 117.7-115.1 -73.4 -7.3 19.4 38.0 13.9 62 87 A G T < 5S+ 0 0 61 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.623 88.8 111.4 77.6 16.6 17.2 37.4 10.8 63 88 A D S - 0 0 115 -2,-0.3 3,-1.1 1,-0.1 29,-0.4 -0.996 16.0-143.2-131.4 138.2 18.6 40.9 4.5 66 91 A L T 3 S+ 0 0 25 -2,-0.4 29,-2.6 1,-0.3 30,-0.4 0.795 105.2 58.0 -65.1 -24.7 21.5 42.2 2.5 67 92 A E T 3 S+ 0 0 137 27,-0.2 -1,-0.3 26,-0.2 2,-0.0 0.718 77.8 116.0 -70.8 -24.6 19.4 41.3 -0.6 68 93 A R < - 0 0 96 -3,-1.1 26,-1.8 25,-0.1 2,-0.4 -0.239 63.0-134.3 -61.2 127.8 16.4 43.5 0.4 69 94 A K E -G 93 0C 94 24,-0.2 2,-0.5 25,-0.1 24,-0.3 -0.656 14.6-159.1 -86.4 130.6 15.8 46.3 -2.0 70 95 A I E -G 92 0C 21 22,-3.2 22,-2.0 -2,-0.4 2,-0.4 -0.929 4.3-156.6-106.5 124.8 15.2 49.8 -0.7 71 96 A H + 0 0 122 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.811 18.2 174.7 -96.5 138.8 13.5 52.3 -2.9 72 97 A Y - 0 0 10 -2,-0.4 2,-0.3 15,-0.3 19,-0.1 -0.921 22.7-124.0-138.2 168.9 14.0 55.9 -2.2 73 98 A R > - 0 0 162 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.731 29.0-109.7-112.4 159.1 13.0 59.2 -3.8 74 99 A Q G > S+ 0 0 142 1,-0.3 3,-2.0 -2,-0.3 -1,-0.1 0.881 118.1 62.7 -53.9 -40.1 15.1 62.2 -5.0 75 100 A Q G 3 S+ 0 0 165 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.675 97.6 59.4 -58.5 -20.2 13.7 64.2 -2.1 76 101 A D G < S+ 0 0 68 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.586 82.4 105.7 -85.6 -14.5 15.4 61.7 0.3 77 102 A L < - 0 0 41 -3,-2.0 2,-0.2 -4,-0.5 4,-0.1 -0.470 52.1-165.0 -68.2 138.9 18.9 62.4 -1.1 78 103 A V - 0 0 62 -2,-0.1 30,-0.3 1,-0.1 29,-0.1 -0.702 43.6 -54.6-111.4 169.7 21.3 64.4 1.1 79 104 A D S S+ 0 0 147 -2,-0.2 28,-0.2 28,-0.1 -1,-0.1 -0.181 117.0 22.8 -47.9 130.0 24.6 66.1 0.2 80 105 A Y + 0 0 124 27,-0.1 27,-2.7 1,-0.1 28,-0.5 0.987 63.1 155.0 72.4 87.3 27.1 63.7 -1.5 81 106 A S > + 0 0 8 25,-0.2 4,-2.4 26,-0.2 5,-0.2 -0.441 2.5 159.7-135.9 56.3 25.3 60.8 -3.0 82 107 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.769 83.2 23.0 -58.6 -29.8 27.7 59.6 -5.8 83 108 A V T >4 S+ 0 0 33 2,-0.1 3,-1.7 -3,-0.1 4,-0.2 0.853 121.2 53.1-101.1 -51.0 26.2 56.1 -5.9 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.818 99.8 63.7 -60.0 -32.4 22.7 56.5 -4.5 85 110 A E G >< S+ 0 0 120 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.755 97.3 60.1 -62.9 -22.7 21.9 59.4 -7.0 86 111 A K G < S+ 0 0 154 -3,-1.7 -1,-0.3 -5,-0.2 3,-0.2 0.518 100.6 54.8 -79.6 -7.7 22.3 56.8 -9.8 87 112 A H G <> + 0 0 42 -3,-1.7 4,-2.2 -4,-0.2 -15,-0.3 -0.108 58.6 120.5-124.8 37.1 19.5 54.5 -8.6 88 113 A L T <4 S+ 0 0 59 -3,-0.5 -16,-0.2 1,-0.2 -1,-0.1 0.824 84.4 44.1 -63.2 -31.0 16.4 56.6 -8.2 89 114 A A T 4 S+ 0 0 96 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.887 128.1 22.9 -81.6 -38.9 14.6 54.3 -10.7 90 115 A D T 4 S- 0 0 75 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.1 0.542 94.0-139.0-113.5 -11.7 15.7 50.9 -9.5 91 116 A G < - 0 0 0 -4,-2.2 2,-0.3 -19,-0.1 -20,-0.2 -0.157 18.4 -96.7 77.8-178.3 16.7 51.2 -5.8 92 117 A M E -G 70 0C 2 -22,-2.0 -22,-3.2 -4,-0.1 2,-0.1 -0.992 26.6-115.4-139.3 144.6 19.6 49.7 -4.0 93 118 A T E > -G 69 0C 32 -2,-0.3 4,-2.6 -24,-0.3 -24,-0.2 -0.400 31.8-112.1 -71.6 157.7 19.9 46.6 -1.8 94 119 A V H > S+ 0 0 0 -26,-1.8 4,-2.0 -29,-0.4 -28,-0.2 0.915 122.0 50.8 -54.6 -45.3 20.8 46.9 1.9 95 120 A G H > S+ 0 0 12 -29,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 109.4 49.3 -59.7 -43.9 24.2 45.3 1.0 96 121 A E H > S+ 0 0 87 -30,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.874 108.1 55.3 -62.1 -38.2 24.8 47.7 -1.9 97 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.902 108.2 47.4 -60.8 -42.6 23.9 50.6 0.5 98 123 A a H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.906 111.0 51.3 -66.8 -40.0 26.6 49.5 2.9 99 124 A A H X S+ 0 0 28 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.938 113.5 45.2 -60.2 -44.5 29.1 49.1 0.1 100 125 A A H X S+ 0 0 2 -4,-2.7 6,-2.1 1,-0.2 4,-1.5 0.910 113.9 49.2 -67.9 -39.9 28.3 52.6 -1.1 101 126 A A H < S+ 0 0 0 -4,-2.7 4,-0.4 4,-0.3 -1,-0.2 0.912 122.2 32.5 -63.2 -43.8 28.4 54.0 2.5 102 127 A I H < S+ 0 0 0 -4,-2.6 103,-0.3 -5,-0.2 -2,-0.2 0.951 126.7 36.7 -80.5 -49.3 31.8 52.4 3.4 103 128 A T H < S+ 0 0 16 -4,-2.8 82,-2.4 -5,-0.3 83,-0.8 0.684 135.3 19.8 -83.0 -20.9 33.6 52.4 0.0 104 129 A M S < S- 0 0 55 -4,-1.5 -3,-0.2 -5,-0.4 -1,-0.2 0.408 95.4-123.1-124.9 -4.1 32.4 55.8 -1.4 105 130 A S - 0 0 14 -4,-0.4 2,-0.4 -5,-0.4 -4,-0.3 0.844 40.6-174.4 58.0 35.9 31.2 57.6 1.8 106 131 A D > - 0 0 0 -6,-2.1 4,-2.1 1,-0.2 -25,-0.2 -0.463 13.1-160.7 -64.5 116.5 27.8 57.9 0.2 107 132 A N H > S+ 0 0 52 -27,-2.7 4,-2.1 -2,-0.4 -26,-0.2 0.838 87.3 50.6 -75.3 -32.9 25.7 60.0 2.6 108 133 A S H > S+ 0 0 2 -28,-0.5 4,-2.6 -30,-0.3 5,-0.2 0.920 110.2 51.8 -68.9 -42.3 22.3 59.1 1.4 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.946 111.8 46.3 -54.8 -49.2 23.2 55.5 1.6 110 135 A A H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.888 111.8 52.5 -61.5 -38.5 24.4 56.0 5.2 111 136 A N H X S+ 0 0 46 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.918 109.4 47.3 -66.2 -42.2 21.2 57.9 6.0 112 137 A L H X S+ 0 0 35 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.925 114.6 47.3 -64.5 -44.9 18.9 55.2 4.7 113 138 A L H X S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.865 106.0 58.9 -60.7 -39.8 20.8 52.6 6.7 114 139 A L H ><>S+ 0 0 2 -4,-2.4 5,-2.7 1,-0.2 3,-0.8 0.894 102.2 54.1 -61.4 -38.2 20.8 54.7 9.8 115 140 A A H ><5S+ 0 0 58 -4,-1.6 3,-2.0 1,-0.2 -1,-0.2 0.939 102.8 57.5 -58.9 -46.4 17.0 54.7 9.7 116 141 A T H 3<5S+ 0 0 29 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.679 107.2 47.5 -59.9 -23.1 16.9 50.9 9.6 117 142 A V T <<5S- 0 0 20 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.317 129.4 -89.6-102.3 7.2 18.9 50.6 12.9 118 143 A G T <>5 - 0 0 52 -3,-2.0 4,-1.7 -4,-0.2 3,-0.3 0.725 65.9 -90.6 93.1 25.4 16.8 53.1 14.8 119 144 A G H > S+ 0 0 9 0, 0.0 4,-2.3 0, 0.0 17,-0.4 0.857 142.0 52.9 -56.0 -41.2 21.6 57.7 16.0 121 146 A A H > S+ 0 0 79 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.920 110.6 47.9 -59.8 -43.3 20.0 56.7 19.2 122 147 A G H X S+ 0 0 20 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.884 112.4 47.2 -67.2 -41.1 19.6 53.1 17.9 123 148 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.869 111.5 51.6 -67.7 -37.6 23.2 52.9 16.7 124 149 A T H X S+ 0 0 23 -4,-2.3 4,-2.7 13,-0.2 -2,-0.2 0.922 108.5 51.0 -65.8 -41.7 24.4 54.3 20.0 125 150 A A H X S+ 0 0 51 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.874 107.5 54.4 -60.3 -38.0 22.4 51.6 21.9 126 151 A F H X S+ 0 0 22 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.942 108.1 49.1 -59.7 -46.8 24.1 49.1 19.6 127 152 A L H ><>S+ 0 0 2 -4,-2.2 5,-2.6 1,-0.2 3,-0.6 0.938 109.9 50.4 -56.6 -49.9 27.5 50.4 20.7 128 153 A R H ><5S+ 0 0 89 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.901 107.1 57.2 -55.8 -38.4 26.4 50.2 24.4 129 154 A Q H 3<5S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.6 46.6 -61.2 -37.0 25.3 46.6 23.7 130 155 A I T <<5S- 0 0 10 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.309 128.2 -96.5 -91.6 8.3 28.8 45.5 22.5 131 156 A G T < 5S+ 0 0 39 -3,-1.4 2,-0.8 -4,-0.3 -3,-0.2 0.607 81.0 133.6 92.3 13.0 30.5 47.2 25.4 132 157 A D < + 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.861 19.6 167.8 -95.9 107.8 31.4 50.6 23.9 133 158 A N S S+ 0 0 115 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.256 70.1 50.3-102.3 11.3 30.3 53.2 26.5 134 159 A V S S+ 0 0 45 -7,-0.1 16,-0.2 18,-0.1 -1,-0.1 0.761 82.7 84.9-118.4 -49.6 32.2 56.0 24.9 135 160 A T - 0 0 0 17,-0.1 2,-0.4 -8,-0.1 16,-0.2 -0.344 57.1-176.4 -63.6 139.3 31.4 56.3 21.1 136 161 A R B -F 150 0B 73 14,-2.5 14,-0.6 11,-0.1 2,-0.5 -0.990 22.6-162.4-144.8 132.4 28.3 58.3 20.3 137 162 A L + 0 0 10 -17,-0.4 -13,-0.2 -2,-0.4 -14,-0.1 -0.964 22.3 156.8-107.6 129.9 26.2 59.1 17.2 138 163 A D + 0 0 64 -2,-0.5 2,-0.3 1,-0.1 -17,-0.1 0.614 50.9 68.3-120.2 -24.9 23.8 62.0 17.7 139 164 A S 0 0 41 -19,-0.1 -1,-0.1 -20,-0.1 -20,-0.0 -0.756 360.0 360.0-114.5 145.7 23.3 63.4 14.1 140 165 A W 0 0 172 -2,-0.3 -29,-0.1 -3,-0.1 -2,-0.0 -0.636 360.0 360.0 -81.5 360.0 21.6 62.3 10.8 141 ! 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 0.0 142 172 A A 0 0 58 0, 0.0 93,-0.2 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 64.7 32.9 70.4 14.8 143 173 A L > - 0 0 93 1,-0.1 3,-1.9 2,-0.0 2,-0.1 -0.511 360.0-100.5 -84.8 144.0 33.4 72.9 17.6 144 174 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.384 111.1 33.3 -61.4 138.3 35.5 72.2 20.8 145 175 A G T 3 S+ 0 0 89 1,-0.2 2,-0.9 -2,-0.1 -2,-0.0 0.109 89.9 115.4 98.0 -18.7 33.3 71.2 23.7 146 176 A D < + 0 0 42 -3,-1.9 -1,-0.2 1,-0.1 0, 0.0 -0.779 39.6 179.0 -88.4 108.2 30.8 69.5 21.4 147 177 A A > + 0 0 30 -2,-0.9 3,-0.8 -3,-0.1 -1,-0.1 0.433 39.5 121.8 -88.7 -3.1 30.9 65.8 22.2 148 178 A R T 3 S+ 0 0 122 1,-0.2 -11,-0.1 -10,-0.1 -2,-0.1 -0.339 78.7 8.4 -61.7 143.0 28.3 64.9 19.6 149 179 A D T 3 S+ 0 0 38 1,-0.2 -106,-2.3 -107,-0.1 -105,-0.6 0.880 101.2 135.3 55.7 47.4 29.3 62.3 17.0 150 180 A T E < +EF 42 136B 2 -3,-0.8 -14,-2.5 -14,-0.6 2,-0.3 -0.818 29.8 173.6-123.7 161.1 32.6 61.5 18.7 151 181 A T E -E 41 0B 0 -110,-2.4 -110,-2.5 -2,-0.3 3,-0.1 -0.828 28.3-117.7-139.8-175.2 34.7 58.5 19.6 152 182 A T > - 0 0 5 -2,-0.3 4,-3.0 -112,-0.2 5,-0.3 -0.933 26.9-116.5-122.0 155.8 38.1 57.9 21.1 153 183 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.917 117.4 48.2 -53.2 -45.3 41.0 56.1 19.4 154 184 A A H > S+ 0 0 24 -117,-2.4 4,-2.3 2,-0.2 5,-0.2 0.897 113.9 45.8 -62.1 -43.4 40.9 53.4 22.1 155 185 A S H > S+ 0 0 19 -118,-0.4 4,-2.6 2,-0.2 5,-0.2 0.917 113.9 47.9 -68.0 -43.4 37.1 52.9 21.9 156 186 A M H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.925 112.7 48.6 -67.0 -41.6 37.0 52.9 18.1 157 187 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.936 113.6 46.8 -61.8 -46.2 39.9 50.4 17.9 158 188 A A H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.913 113.7 48.4 -62.1 -41.9 38.3 48.1 20.5 159 189 A T H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.911 111.1 49.5 -66.8 -42.7 34.9 48.3 18.7 160 190 A L H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.929 111.6 49.7 -62.9 -43.6 36.3 47.6 15.3 161 191 A R H X>S+ 0 0 69 -4,-2.6 4,-2.2 -5,-0.2 5,-0.6 0.912 110.0 51.2 -58.0 -45.2 38.1 44.6 16.8 162 192 A K H X5S+ 0 0 43 -4,-2.5 4,-1.5 1,-0.2 6,-0.5 0.921 112.4 46.3 -58.1 -45.5 34.9 43.4 18.4 163 193 A L H <5S+ 0 0 1 -4,-2.5 6,-0.2 1,-0.2 -1,-0.2 0.887 119.8 38.0 -66.1 -39.4 33.0 43.7 15.1 164 194 A L H <5S+ 0 0 15 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.752 133.4 14.1 -83.5 -25.6 35.6 41.9 13.0 165 195 A T H <5S+ 0 0 44 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.603 97.6 85.2-132.4 -20.3 36.9 39.2 15.4 166 196 A S S >< - 0 0 45 -2,-0.3 4,-2.6 -114,-0.2 5,-0.2 -0.137 36.8-102.5 -57.0 163.0 28.5 35.6 12.3 171 201 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.927 123.8 48.8 -54.8 -48.3 31.5 34.3 10.3 172 202 A R H > S+ 0 0 195 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 111.3 49.3 -61.7 -41.6 30.0 35.5 7.0 173 203 A S H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.905 109.3 51.7 -65.6 -42.8 29.2 39.0 8.5 174 204 A Q H X S+ 0 0 30 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.912 112.1 47.7 -53.2 -45.2 32.7 39.4 9.8 175 205 A R H X S+ 0 0 176 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.867 111.4 50.5 -67.8 -38.1 34.0 38.5 6.3 176 206 A Q H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 109.4 49.3 -65.1 -45.1 31.6 40.9 4.7 177 207 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.924 112.6 48.9 -64.3 -42.9 32.6 43.9 7.0 178 208 A L H X S+ 0 0 58 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.924 109.5 51.3 -58.5 -47.8 36.2 43.2 6.3 179 209 A Q H X S+ 0 0 88 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.870 105.0 56.1 -62.7 -35.2 35.7 43.0 2.5 180 210 A W H < S+ 0 0 12 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.924 110.0 46.3 -62.3 -41.4 33.8 46.4 2.5 181 211 A M H >< S+ 0 0 0 -4,-1.6 22,-2.1 1,-0.2 3,-1.3 0.883 110.3 52.4 -68.1 -37.6 36.9 48.0 4.1 182 212 A V H 3< S+ 0 0 32 -4,-2.3 -1,-0.2 20,-0.3 -2,-0.2 0.874 107.5 55.6 -60.5 -37.0 39.3 46.2 1.7 183 213 A D T 3< S+ 0 0 57 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.353 74.7 144.1 -80.8 4.3 37.1 47.7 -1.1 184 214 A D < - 0 0 0 -3,-1.3 -81,-0.2 19,-0.2 -80,-0.1 -0.199 26.7-175.4 -49.2 129.4 37.4 51.3 -0.1 185 215 A R S S+ 0 0 124 -82,-2.4 -81,-0.2 3,-0.2 5,-0.2 0.626 71.3 69.3-100.1 -18.9 37.5 53.6 -3.1 186 216 A V S S- 0 0 68 -83,-0.8 4,-0.1 1,-0.1 -82,-0.1 0.962 129.3 -13.7 -64.1 -52.5 38.1 56.9 -1.4 187 217 A A S > S+ 0 0 12 16,-0.1 4,-3.0 -84,-0.1 5,-0.2 0.586 110.9 91.9-129.0 -18.3 41.7 56.2 -0.2 188 218 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.919 93.7 41.0 -48.9 -59.3 42.4 52.5 -0.6 189 219 A P H > S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.904 115.4 51.5 -62.6 -38.5 43.9 52.6 -4.1 190 220 A L H > S+ 0 0 114 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.937 110.5 49.8 -59.5 -48.5 45.9 55.8 -3.3 191 221 A I H >X S+ 0 0 36 -4,-3.0 4,-1.3 1,-0.2 3,-1.2 0.925 108.6 51.7 -56.9 -46.0 47.3 54.2 -0.1 192 222 A R H >< S+ 0 0 93 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.900 102.0 61.9 -59.2 -38.1 48.3 51.0 -2.1 193 223 A S H 3< S+ 0 0 88 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.730 114.3 33.5 -59.6 -26.9 50.1 53.3 -4.6 194 224 A V H << S+ 0 0 110 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.467 97.8 99.3-108.7 -4.1 52.4 54.5 -1.8 195 225 A L S << S- 0 0 30 -4,-1.3 3,-0.1 -3,-0.6 6,-0.0 -0.614 78.1-113.1 -79.9 141.8 52.7 51.4 0.3 196 226 A P > - 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