==== 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 3OPR . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR J.M.SAMPSON,F.VAN DEN AKKER . 258 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 71.7 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 15.5 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 . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 35.7 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 1 2 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, 0.0 248,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 150.9 61.3 58.6 9.2 2 27 A P - 0 0 39 0, 0.0 253,-0.1 0, 0.0 254,-0.1 -0.171 360.0 -65.5 -73.3 179.3 61.5 59.0 13.1 3 28 A Q > - 0 0 75 1,-0.1 4,-2.4 252,-0.1 5,-0.2 -0.234 54.6-103.9 -60.7 155.7 59.7 56.6 15.6 4 29 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.915 121.0 44.8 -50.3 -53.3 55.9 56.6 15.5 5 30 A L H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.882 112.4 52.2 -61.5 -38.8 55.4 58.7 18.7 6 31 A E H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 111.7 47.0 -62.1 -40.4 58.1 61.1 17.6 7 32 A Q H X S+ 0 0 24 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.879 108.0 54.8 -70.1 -38.5 56.3 61.5 14.2 8 33 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.935 110.2 47.7 -59.4 -46.4 52.9 62.0 15.9 9 34 A K H X S+ 0 0 116 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.940 110.1 51.5 -59.9 -48.2 54.4 64.8 18.0 10 35 A L H X S+ 0 0 75 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.870 106.6 55.5 -54.1 -41.0 56.0 66.4 14.9 11 36 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 6,-0.3 0.894 107.4 48.0 -62.7 -41.8 52.6 66.3 13.1 12 37 A E H X>S+ 0 0 30 -4,-1.8 4,-1.8 2,-0.2 5,-0.6 0.886 112.2 50.3 -62.6 -40.1 50.9 68.3 16.0 13 38 A S H <5S+ 0 0 93 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.913 115.8 41.2 -64.3 -43.0 53.7 70.8 15.9 14 39 A Q H <5S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.862 122.6 38.7 -75.1 -35.4 53.3 71.3 12.1 15 40 A L H <5S- 0 0 7 -4,-2.4 222,-0.4 -5,-0.2 -2,-0.2 0.677 93.0-137.3 -86.5 -19.8 49.5 71.2 12.0 16 41 A S T <5S+ 0 0 97 -4,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.786 71.3 106.7 58.3 30.3 48.9 73.2 15.2 17 42 A G S -A 226 0A 36 5,-2.8 4,-2.2 -2,-0.4 201,-0.3 -0.549 27.2-148.3 -65.9 127.4 47.0 44.0 17.2 26 51 A L T 4 S+ 0 0 22 199,-2.4 -1,-0.2 -2,-0.3 200,-0.1 0.914 91.9 47.3 -66.1 -43.8 43.7 42.9 15.4 27 52 A A T 4 S+ 0 0 80 198,-0.5 -1,-0.2 1,-0.2 199,-0.1 0.924 130.7 15.5 -66.4 -41.3 43.8 39.3 16.6 28 53 A S T 4 S- 0 0 76 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.685 91.6-121.1-108.8 -24.3 44.6 40.0 20.3 29 54 A G < + 0 0 19 -4,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.526 49.4 164.4 85.8 8.3 43.8 43.7 21.0 30 55 A R - 0 0 131 -6,-0.1 -5,-2.8 -5,-0.1 2,-0.6 -0.443 34.3-136.0 -57.5 121.8 47.4 44.3 22.2 31 56 A T E +B 24 0A 74 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.757 30.8 170.1 -83.3 120.7 47.9 48.1 22.2 32 57 A L E + 0 0 33 -9,-3.0 2,-0.4 -2,-0.6 -8,-0.2 0.839 67.3 18.5 -94.3 -48.2 51.2 49.1 20.7 33 58 A T E +B 23 0A 10 -10,-1.2 -10,-2.3 -29,-0.0 2,-0.4 -0.996 63.5 176.1-129.3 132.7 51.0 52.9 20.3 34 59 A A E +B 22 0A 56 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.949 4.6 167.0-141.9 120.8 48.6 55.2 22.2 35 60 A W E S-B 21 0A 56 -14,-2.4 -14,-2.8 -2,-0.4 4,-0.1 -0.980 80.5 -19.5-137.7 120.0 48.5 59.0 21.9 36 61 A R S > S+ 0 0 74 -2,-0.4 3,-1.6 -16,-0.2 117,-0.1 0.843 87.7 156.3 48.7 38.6 45.6 61.0 23.2 37 62 A A T 3 + 0 0 12 1,-0.3 116,-2.7 -16,-0.1 117,-0.4 0.697 66.9 44.9 -74.3 -16.1 43.8 57.7 22.9 38 63 A D T 3 S+ 0 0 138 114,-0.2 -1,-0.3 113,-0.1 2,-0.3 0.280 92.3 103.8-107.1 8.3 41.2 58.6 25.5 39 64 A E S < S- 0 0 61 -3,-1.6 2,-0.3 -4,-0.1 114,-0.1 -0.644 76.7-106.5 -88.3 151.3 40.5 62.1 24.1 40 65 A R + 0 0 84 -2,-0.3 111,-0.2 111,-0.2 -2,-0.1 -0.600 38.8 173.3 -81.1 136.0 37.4 62.9 22.0 41 66 A F E -E 150 0B 0 109,-2.7 109,-2.4 -2,-0.3 2,-0.2 -0.974 40.3 -99.0-135.3 147.2 37.5 63.4 18.3 42 67 A P E -E 149 0B 17 0, 0.0 107,-0.3 0, 0.0 190,-0.2 -0.523 26.6-150.3 -65.1 131.2 34.8 63.9 15.7 43 68 A M > + 0 0 5 105,-2.3 3,-1.9 -2,-0.2 106,-0.1 0.779 27.0 176.0 -69.6 -32.4 34.2 60.6 13.9 44 69 A M G > - 0 0 31 104,-0.6 3,-1.5 1,-0.3 -1,-0.2 -0.263 70.0 -15.9 52.8-140.8 33.1 62.2 10.6 45 70 A S G > S+ 0 0 22 1,-0.3 3,-1.7 161,-0.3 -1,-0.3 0.564 119.8 86.5 -72.0 -10.2 32.5 59.5 8.0 46 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 4,-0.7 0.775 74.0 73.9 -60.3 -21.9 34.3 56.8 10.0 47 72 A F H <> S+ 0 0 26 -3,-1.5 4,-2.6 1,-0.3 -1,-0.3 0.768 77.5 79.2 -59.8 -24.2 31.0 56.1 11.8 48 73 A K H <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.785 87.6 53.9 -58.7 -30.6 29.8 54.5 8.6 49 74 A V H <> S+ 0 0 2 -3,-1.4 4,-1.7 -4,-0.2 -1,-0.2 0.930 110.9 45.7 -67.8 -45.4 31.7 51.2 9.4 50 75 A V H X S+ 0 0 5 -4,-0.7 4,-2.0 -3,-0.2 -2,-0.2 0.915 109.8 56.0 -63.6 -41.8 30.0 51.0 12.8 51 76 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.921 109.0 45.5 -52.0 -51.1 26.6 51.8 11.2 52 77 A a H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.775 105.7 60.7 -72.5 -25.0 27.0 48.8 8.8 53 78 A G H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.918 106.7 47.4 -57.5 -44.5 28.2 46.6 11.7 54 79 A A H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.871 110.0 52.1 -64.5 -39.3 24.7 47.3 13.3 55 80 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.937 109.4 49.7 -60.6 -47.4 23.0 46.5 9.9 56 81 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.855 105.6 57.0 -61.7 -36.0 24.9 43.2 9.8 57 82 A A H X S+ 0 0 8 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.917 107.3 48.8 -62.5 -40.4 23.8 42.5 13.4 58 83 A R H <>S+ 0 0 81 -4,-1.8 5,-2.5 2,-0.2 6,-0.9 0.883 110.1 51.6 -63.2 -38.1 20.1 42.9 12.3 59 84 A V H ><5S+ 0 0 37 -4,-1.9 3,-1.5 4,-0.2 5,-0.2 0.950 110.0 48.7 -62.5 -48.1 20.8 40.6 9.3 60 85 A D H 3<5S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.0 54.3 -58.4 -35.6 22.3 37.9 11.7 61 86 A A T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.514 117.3-113.2 -76.2 -9.3 19.2 38.3 14.0 62 87 A G T < 5S+ 0 0 64 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.573 91.5 108.9 83.0 12.2 16.8 37.6 11.0 63 88 A D S - 0 0 114 -2,-0.3 3,-1.0 1,-0.1 29,-0.4 -0.999 15.0-144.9-132.0 135.2 18.4 41.1 4.5 66 91 A L T 3 S+ 0 0 27 -2,-0.4 29,-2.6 1,-0.2 30,-0.4 0.792 105.1 57.9 -66.0 -23.7 21.3 42.5 2.6 67 92 A E T 3 S+ 0 0 133 27,-0.2 -1,-0.2 26,-0.2 2,-0.0 0.714 77.8 117.3 -71.4 -23.6 19.3 41.5 -0.5 68 93 A R < - 0 0 97 -3,-1.0 26,-1.8 25,-0.1 2,-0.5 -0.237 62.7-134.7 -61.6 126.9 16.3 43.7 0.5 69 94 A K E -G 93 0C 95 24,-0.2 2,-0.5 25,-0.1 24,-0.3 -0.674 14.8-160.0 -89.2 126.4 15.7 46.5 -2.0 70 95 A I E -G 92 0C 22 22,-3.0 22,-2.0 -2,-0.5 2,-0.4 -0.907 2.9-159.4-104.2 121.6 15.0 50.0 -0.7 71 96 A H + 0 0 122 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.810 17.9 175.9 -98.1 137.3 13.3 52.5 -3.1 72 97 A Y - 0 0 11 -2,-0.4 2,-0.2 15,-0.3 19,-0.1 -0.923 22.8-120.5-137.9 167.8 13.8 56.1 -2.3 73 98 A R > - 0 0 171 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.697 28.3-110.5-110.4 160.6 12.9 59.5 -3.8 74 99 A Q G > S+ 0 0 142 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.867 117.7 61.2 -56.0 -35.8 15.0 62.4 -4.9 75 100 A Q G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.622 96.5 61.5 -67.7 -11.9 13.7 64.5 -2.0 76 101 A D G < S+ 0 0 73 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.604 82.8 105.2 -87.8 -15.8 15.3 61.9 0.4 77 102 A L < - 0 0 42 -3,-1.6 2,-0.2 -4,-0.5 4,-0.1 -0.452 52.1-165.9 -69.6 137.1 18.8 62.6 -1.0 78 103 A V - 0 0 57 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.670 43.8 -54.4-110.9 170.9 21.2 64.6 1.2 79 104 A D S S+ 0 0 147 -2,-0.2 28,-0.2 28,-0.1 -1,-0.1 -0.205 117.2 23.3 -49.0 128.9 24.5 66.3 0.2 80 105 A Y + 0 0 122 27,-0.1 27,-2.6 1,-0.1 28,-0.6 0.969 63.6 154.9 74.6 86.4 27.0 64.0 -1.4 81 106 A S > + 0 0 9 25,-0.2 4,-2.3 26,-0.2 5,-0.2 -0.475 3.1 158.5-135.8 58.9 25.2 61.0 -2.9 82 107 A P T 4 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.774 82.0 23.7 -64.9 -29.1 27.5 59.8 -5.7 83 108 A V T >4 S+ 0 0 36 2,-0.1 3,-1.8 -3,-0.1 4,-0.2 0.836 121.7 53.2 -97.1 -50.4 26.1 56.3 -5.9 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 7,-0.1 0.836 99.4 63.0 -59.8 -34.1 22.6 56.8 -4.5 85 110 A E G >< S+ 0 0 115 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.728 98.2 59.8 -61.9 -18.2 21.7 59.6 -7.0 86 111 A K G < S+ 0 0 152 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.512 100.4 55.5 -86.7 -3.7 22.2 57.1 -9.8 87 112 A H G <> + 0 0 46 -3,-1.8 4,-1.9 -4,-0.2 -15,-0.3 -0.125 58.7 119.4-128.3 37.0 19.4 54.7 -8.5 88 113 A L T <4 S+ 0 0 61 -3,-0.5 -16,-0.1 2,-0.2 -1,-0.1 0.805 85.1 43.3 -67.8 -29.4 16.3 56.8 -8.2 89 114 A A T 4 S+ 0 0 99 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.904 128.2 23.3 -80.5 -42.8 14.5 54.6 -10.8 90 115 A D T 4 S- 0 0 77 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.482 93.5-140.2-113.2 -6.5 15.6 51.1 -9.6 91 116 A G < - 0 0 1 -4,-1.9 2,-0.3 -19,-0.1 -20,-0.2 -0.078 17.9 -97.9 73.2 179.9 16.5 51.5 -5.8 92 117 A M E -G 70 0C 2 -22,-2.0 -22,-3.0 -4,-0.1 2,-0.1 -0.996 25.7-115.4-138.1 146.8 19.4 49.9 -4.0 93 118 A T E > -G 69 0C 31 -2,-0.3 4,-2.7 -24,-0.3 -24,-0.2 -0.368 32.0-111.4 -74.2 157.7 19.8 46.8 -1.8 94 119 A V H > S+ 0 0 0 -26,-1.8 4,-2.1 -29,-0.4 -28,-0.2 0.918 122.4 50.8 -54.5 -42.9 20.7 47.1 1.9 95 120 A G H > S+ 0 0 11 -29,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.910 109.8 49.2 -60.7 -44.6 24.0 45.5 1.0 96 121 A E H > S+ 0 0 88 -30,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.870 107.8 55.6 -62.4 -37.0 24.6 48.0 -1.8 97 122 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.922 108.7 47.0 -62.2 -42.5 23.7 50.8 0.6 98 123 A a H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.914 111.3 50.9 -66.3 -42.4 26.4 49.7 3.0 99 124 A A H X S+ 0 0 28 -4,-2.4 4,-2.6 1,-0.2 5,-0.5 0.927 113.3 46.1 -60.1 -43.3 29.0 49.3 0.1 100 125 A A H X S+ 0 0 4 -4,-2.8 6,-2.2 1,-0.2 4,-1.5 0.919 113.8 48.6 -65.6 -42.3 28.1 52.9 -1.0 101 126 A A H X S+ 0 0 0 -4,-2.7 4,-0.6 4,-0.3 -2,-0.2 0.934 121.8 33.2 -62.5 -45.8 28.3 54.3 2.5 102 127 A I H < S+ 0 0 0 -4,-2.8 102,-0.3 -5,-0.2 -2,-0.2 0.961 126.4 35.8 -78.5 -49.1 31.6 52.6 3.3 103 128 A T H < S+ 0 0 17 -4,-2.6 81,-2.3 -5,-0.3 82,-0.8 0.692 135.1 21.1 -86.0 -19.5 33.5 52.6 0.0 104 129 A M H < S- 0 0 57 -4,-1.5 -1,-0.2 -5,-0.5 -3,-0.2 0.421 95.7-123.5-123.7 -4.7 32.2 56.0 -1.4 105 130 A S < - 0 0 14 -4,-0.6 2,-0.4 -5,-0.4 -4,-0.3 0.852 40.8-174.4 59.8 36.6 31.1 57.8 1.8 106 131 A D > - 0 0 0 -6,-2.2 4,-1.9 1,-0.2 -1,-0.2 -0.489 13.4-161.9 -68.8 117.9 27.6 58.1 0.2 107 132 A N H > S+ 0 0 49 -27,-2.6 4,-2.4 -2,-0.4 -26,-0.2 0.851 86.6 51.2 -74.8 -36.7 25.6 60.2 2.7 108 133 A S H > S+ 0 0 2 -28,-0.6 4,-2.4 -30,-0.3 5,-0.2 0.911 110.0 51.5 -65.3 -41.7 22.2 59.4 1.4 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.939 110.9 47.9 -57.8 -48.2 23.0 55.7 1.6 110 135 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.914 110.6 52.1 -59.6 -42.5 24.2 56.2 5.3 111 136 A N H X S+ 0 0 77 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.915 109.6 47.9 -61.8 -44.2 21.0 58.1 6.1 112 137 A L H X S+ 0 0 37 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.941 114.4 46.8 -61.3 -45.7 18.7 55.4 4.7 113 138 A L H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.870 106.3 58.4 -62.4 -40.6 20.7 52.8 6.7 114 139 A L H ><>S+ 0 0 11 -4,-2.7 5,-2.5 1,-0.2 3,-0.7 0.891 102.1 55.4 -59.7 -41.4 20.6 54.9 9.9 115 140 A A H ><5S+ 0 0 74 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.921 103.1 56.2 -54.2 -45.6 16.8 54.8 9.8 116 141 A T H 3<5S+ 0 0 28 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.736 106.8 48.2 -62.2 -26.5 16.8 51.0 9.6 117 142 A V T <<5S- 0 0 18 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.284 129.9 -90.8 -98.6 9.4 18.9 50.7 12.9 118 143 A G T <>5 - 0 0 50 -3,-1.7 4,-1.8 -4,-0.2 3,-0.3 0.771 64.5 -88.7 89.4 30.7 16.6 53.2 14.8 119 144 A G H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 17,-0.4 0.835 141.8 52.9 -59.1 -38.2 21.3 57.9 16.1 121 146 A A H > S+ 0 0 79 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.905 110.1 48.7 -62.2 -42.4 19.7 56.7 19.3 122 147 A G H X S+ 0 0 21 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.873 112.8 46.5 -66.5 -40.6 19.4 53.2 17.9 123 148 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.865 111.5 51.5 -69.8 -39.1 23.1 53.1 16.8 124 149 A T H X S+ 0 0 23 -4,-2.3 4,-2.6 13,-0.2 -2,-0.2 0.903 108.8 51.3 -63.6 -41.2 24.2 54.5 20.2 125 150 A A H X S+ 0 0 53 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.895 108.0 52.8 -61.7 -40.3 22.2 51.7 22.0 126 151 A F H X S+ 0 0 15 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.926 109.0 49.5 -59.2 -46.4 24.0 49.2 19.7 127 152 A L H ><>S+ 0 0 2 -4,-2.2 5,-2.6 1,-0.2 3,-0.9 0.938 109.8 50.3 -58.2 -48.4 27.3 50.6 20.8 128 153 A R H ><5S+ 0 0 86 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.887 106.8 57.2 -56.3 -37.3 26.4 50.4 24.5 129 154 A Q H 3<5S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 106.9 47.0 -67.8 -26.4 25.3 46.8 23.9 130 155 A I T <<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.253 127.9 -96.1-101.8 11.4 28.7 45.8 22.6 131 156 A G T < 5S+ 0 0 41 -3,-1.4 2,-0.8 1,-0.2 -3,-0.2 0.559 81.3 132.9 90.4 11.9 30.5 47.6 25.5 132 157 A D < + 0 0 5 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.850 18.2 165.3 -94.9 107.2 31.3 50.9 23.9 133 158 A N + 0 0 116 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.244 69.1 52.6-103.3 12.5 30.3 53.5 26.5 134 159 A V S S+ 0 0 45 -7,-0.1 15,-0.1 17,-0.1 -1,-0.1 0.789 82.4 83.9-118.4 -49.4 32.1 56.4 24.9 135 160 A T - 0 0 2 16,-0.1 2,-0.3 -8,-0.1 15,-0.2 -0.343 56.6-176.5 -64.2 138.8 31.2 56.7 21.2 136 161 A R B -F 149 0B 80 13,-2.4 13,-0.8 10,-0.2 2,-0.5 -0.995 20.4-164.1-143.9 136.2 28.1 58.6 20.4 137 162 A L + 0 0 5 -17,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.977 18.8 160.7-115.7 127.9 26.1 59.5 17.3 138 163 A D 0 0 62 -2,-0.5 -17,-0.1 1,-0.2 -1,-0.1 0.608 360.0 360.0-120.8 -20.8 23.6 62.3 17.7 139 164 A H 0 0 117 -19,-0.1 -1,-0.2 -20,-0.1 -20,-0.0 -0.902 360.0 360.0-109.5 360.0 22.8 63.5 14.1 140 ! 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 0.0 141 172 A A 0 0 51 0, 0.0 70,-0.1 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 84.3 32.3 71.2 14.6 142 173 A L > - 0 0 100 1,-0.1 3,-1.6 2,-0.1 66,-0.0 -0.403 360.0 -91.7 -84.0 151.3 33.5 73.4 17.5 143 174 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.264 111.3 37.4 -60.5 146.4 35.5 72.2 20.6 144 175 A G T 3 S+ 0 0 84 1,-0.3 2,-0.8 2,-0.0 -2,-0.1 0.202 85.3 118.7 92.9 -14.2 33.3 71.2 23.6 145 176 A D < - 0 0 51 -3,-1.6 -1,-0.3 1,-0.1 0, 0.0 -0.794 39.9-178.0 -86.5 109.4 30.8 69.6 21.2 146 177 A A > + 0 0 30 -2,-0.8 3,-0.8 -3,-0.1 -10,-0.2 0.475 41.4 121.2 -85.5 -5.3 30.7 65.9 22.1 147 178 A R T 3 S+ 0 0 113 1,-0.2 -10,-0.1 -10,-0.1 3,-0.1 -0.342 81.2 4.9 -63.5 138.4 28.1 65.1 19.4 148 179 A D T 3 S+ 0 0 40 1,-0.2 -105,-2.3 -12,-0.1 -104,-0.6 0.891 103.2 135.5 55.4 46.2 29.2 62.5 16.8 149 180 A T E < +EF 42 136B 2 -3,-0.8 -13,-2.4 -13,-0.8 2,-0.3 -0.846 29.4 171.8-122.5 160.0 32.5 61.8 18.6 150 181 A T E -E 41 0B 0 -109,-2.4 -109,-2.7 -2,-0.3 3,-0.1 -0.819 29.1-116.0-141.7-176.7 34.6 58.8 19.6 151 182 A T > - 0 0 6 -2,-0.3 4,-2.9 -111,-0.2 5,-0.3 -0.924 27.5-117.0-119.2 154.8 38.1 58.2 21.1 152 183 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.919 117.1 48.7 -55.2 -42.2 40.9 56.4 19.3 153 184 A A H > S+ 0 0 25 -116,-2.7 4,-2.3 1,-0.2 5,-0.2 0.916 113.6 45.9 -64.3 -43.4 40.8 53.7 22.0 154 185 A S H > S+ 0 0 20 -117,-0.4 4,-2.7 2,-0.2 5,-0.2 0.910 113.5 48.0 -66.6 -44.4 37.0 53.2 21.8 155 186 A M H X S+ 0 0 4 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.917 112.6 49.1 -64.5 -41.7 36.9 53.2 18.1 156 187 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.942 113.4 46.3 -61.7 -44.4 39.7 50.6 17.8 157 188 A A H X S+ 0 0 33 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.908 113.7 49.2 -65.4 -42.4 38.1 48.4 20.4 158 189 A T H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.931 110.7 49.0 -62.3 -46.1 34.7 48.7 18.7 159 190 A L H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.935 111.4 50.9 -60.5 -44.6 36.2 47.9 15.3 160 191 A R H X>S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 5,-0.6 0.913 108.8 51.5 -56.6 -44.4 38.0 44.8 16.8 161 192 A K H X5S+ 0 0 58 -4,-2.4 4,-1.4 1,-0.2 6,-0.5 0.915 112.3 45.6 -61.7 -43.2 34.7 43.6 18.4 162 193 A L H <5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.878 119.6 40.0 -67.2 -36.6 32.8 43.9 15.1 163 194 A L H <5S+ 0 0 15 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.771 133.2 12.4 -84.8 -26.9 35.6 42.2 13.0 164 195 A T H <5S+ 0 0 43 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.569 100.5 84.6-131.8 -18.4 36.7 39.4 15.3 165 196 A S S >< - 0 0 45 -2,-0.3 4,-2.9 -113,-0.2 5,-0.2 -0.226 36.5-104.7 -63.6 160.9 28.4 35.9 12.3 170 201 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.920 123.4 48.3 -52.9 -46.4 31.4 34.6 10.4 171 202 A R H > S+ 0 0 197 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 111.5 49.4 -65.7 -41.2 29.8 35.7 7.1 172 203 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 109.6 51.2 -66.0 -41.5 29.0 39.2 8.5 173 204 A Q H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.911 111.1 49.6 -54.7 -44.9 32.5 39.7 9.8 174 205 A R H X S+ 0 0 175 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.876 111.0 49.3 -64.8 -39.4 33.8 38.7 6.4 175 206 A Q H X S+ 0 0 57 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 109.1 50.7 -66.2 -45.5 31.5 41.1 4.7 176 207 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.938 112.4 47.7 -62.3 -42.4 32.4 44.1 6.9 177 208 A L H X S+ 0 0 59 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.928 110.0 52.7 -62.4 -45.1 36.1 43.5 6.3 178 209 A Q H X S+ 0 0 87 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.887 104.3 55.4 -62.2 -38.0 35.5 43.2 2.5 179 210 A W H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.929 110.3 47.0 -58.4 -43.0 33.6 46.6 2.4 180 211 A M H >< S+ 0 0 0 -4,-1.7 22,-1.9 1,-0.2 3,-1.4 0.891 109.2 53.0 -67.0 -38.0 36.7 48.2 4.0 181 212 A V H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 20,-0.3 -2,-0.2 0.879 107.5 55.1 -60.7 -35.1 39.1 46.4 1.6 182 213 A D T 3< S+ 0 0 58 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.366 75.1 144.4 -83.9 5.6 36.9 47.8 -1.2 183 214 A D < - 0 0 0 -3,-1.4 -80,-0.1 19,-0.2 -79,-0.1 -0.180 26.7-174.8 -49.5 131.6 37.2 51.5 -0.1 184 215 A R S S+ 0 0 124 -81,-2.3 -80,-0.2 3,-0.2 -1,-0.1 0.607 71.1 70.2-103.3 -16.8 37.3 53.8 -3.2 185 216 A V S S- 0 0 66 -82,-0.8 -81,-0.1 1,-0.1 4,-0.1 0.949 129.1 -14.5 -66.1 -50.0 37.9 57.1 -1.4 186 217 A A S > S+ 0 0 13 16,-0.1 4,-3.1 -83,-0.1 5,-0.2 0.574 110.5 92.5-131.4 -19.7 41.5 56.4 -0.3 187 218 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 93.4 41.8 -50.6 -58.0 42.3 52.7 -0.7 188 219 A P H > S+ 0 0 58 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.901 115.5 51.3 -60.9 -39.3 43.7 52.8 -4.2 189 220 A L H > S+ 0 0 115 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.931 110.8 48.6 -59.8 -47.5 45.7 56.0 -3.4 190 221 A I H >X S+ 0 0 36 -4,-3.1 3,-1.2 1,-0.2 4,-1.0 0.915 109.0 52.7 -60.9 -43.0 47.1 54.4 -0.3 191 222 A R H >< S+ 0 0 94 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.910 101.8 60.9 -59.1 -40.7 48.1 51.2 -2.2 192 223 A S H 3< S+ 0 0 89 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.711 113.9 35.0 -59.3 -23.7 49.9 53.4 -4.7 193 224 A V H << S+ 0 0 113 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.402 97.3 99.0-111.0 -2.3 52.3 54.7 -2.0 194 225 A L S << S- 0 0 30 -4,-1.0 3,-0.1 -3,-0.9 6,-0.0 -0.666 79.3-110.9 -83.2 143.1 52.5 51.5 0.2 195 226 A P > - 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