==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-FEB-09 2ZZR . COMPND 2 MOLECULE: UNSATURATED GLUCURONYL HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR Y.MARUYAMA . 397 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 71.5 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 . 35 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 44.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 2 1 0 0 1 0 1 0 0 0 0 4 1 1 2 1 0 0 1 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 . 5 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 2 A M 0 0 157 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.1 49.7 21.4 -73.6 2 3 A K - 0 0 175 264,-0.0 2,-0.5 1,-0.0 205,-0.1 -0.504 360.0-147.6 -74.8 139.9 53.1 22.8 -74.3 3 4 A I - 0 0 20 -2,-0.2 3,-0.1 203,-0.0 204,-0.1 -0.942 27.2-113.1-104.3 131.2 55.7 23.1 -71.6 4 5 A K - 0 0 56 -2,-0.5 204,-0.0 1,-0.1 -1,-0.0 -0.200 41.8 -89.0 -57.4 149.9 58.1 26.1 -71.9 5 6 A P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.335 44.6-166.5 -58.9 142.4 61.8 25.3 -72.6 6 7 A V - 0 0 22 -3,-0.1 2,-0.4 207,-0.1 207,-0.2 -0.961 29.0-102.7-126.4 149.9 64.0 24.8 -69.6 7 8 A K - 0 0 126 205,-2.9 2,-0.8 -2,-0.3 0, 0.0 -0.577 30.0-154.0 -70.9 126.7 67.8 24.7 -69.4 8 9 A V - 0 0 63 -2,-0.4 2,-0.1 268,-0.1 265,-0.1 -0.890 11.2-152.8-104.1 100.5 69.0 21.1 -69.1 9 10 A E - 0 0 26 -2,-0.8 2,-0.1 264,-0.3 267,-0.1 -0.452 20.4-114.8 -65.3 139.9 72.4 21.2 -67.4 10 11 A S - 0 0 84 -2,-0.1 2,-1.0 1,-0.1 -1,-0.1 -0.497 38.8 -98.5 -67.5 148.1 74.7 18.4 -68.2 11 12 A I - 0 0 8 -2,-0.1 -1,-0.1 1,-0.0 2,-0.1 -0.639 49.3-133.7 -69.5 104.9 75.5 16.2 -65.2 12 13 A E S S- 0 0 110 -2,-1.0 4,-0.1 1,-0.2 -1,-0.0 -0.378 75.4 -4.0 -71.7 135.8 78.8 17.8 -64.3 13 14 A N S > S- 0 0 114 1,-0.1 3,-2.0 -2,-0.1 -1,-0.2 0.917 75.0-172.3 48.1 60.1 81.7 15.4 -63.6 14 15 A P T >> S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 3,-1.8 0.639 71.3 78.2 -62.4 -17.3 79.5 12.2 -63.8 15 16 A K H 3> S+ 0 0 134 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.773 77.6 75.3 -60.6 -25.1 82.2 9.9 -62.5 16 17 A R H <4 S+ 0 0 54 -3,-2.0 -1,-0.3 1,-0.2 -3,-0.1 0.763 113.4 23.5 -56.1 -26.2 81.3 11.2 -59.1 17 18 A F H X4 S+ 0 0 0 -3,-1.8 3,-1.8 -4,-0.2 -2,-0.2 0.791 120.6 56.0-102.7 -48.4 78.3 8.9 -59.4 18 19 A L H 3< S+ 0 0 56 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.762 100.5 59.9 -62.1 -28.8 79.4 6.3 -62.0 19 20 A N T 3< S+ 0 0 126 -4,-2.3 -1,-0.3 -5,-0.2 -3,-0.1 0.447 87.7 107.5 -78.0 -1.2 82.4 5.2 -59.9 20 21 A S S < S- 0 0 34 -3,-1.8 2,-0.4 -5,-0.1 -3,-0.1 -0.347 75.0-109.5 -80.9 159.0 80.3 4.2 -57.0 21 22 A R - 0 0 158 -2,-0.1 2,-0.1 315,-0.1 319,-0.1 -0.731 34.6-120.4 -83.5 129.9 79.4 0.8 -55.7 22 23 A L - 0 0 61 -2,-0.4 2,-0.2 1,-0.1 311,-0.1 -0.433 36.0 -99.3 -65.5 143.5 75.8 -0.3 -56.2 23 24 A L - 0 0 20 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.457 39.7-138.3 -66.0 132.3 73.8 -1.1 -53.0 24 25 A T > - 0 0 65 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.478 20.9-109.3 -90.3 163.7 73.6 -4.8 -52.3 25 26 A K H > S+ 0 0 143 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 119.8 49.5 -56.7 -44.7 70.6 -6.7 -51.0 26 27 A I H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.884 109.3 52.3 -64.7 -37.5 72.2 -7.2 -47.6 27 28 A E H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.939 115.6 39.8 -63.2 -47.7 73.1 -3.5 -47.3 28 29 A V H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.907 114.5 54.4 -67.4 -41.7 69.5 -2.4 -48.0 29 30 A E H X S+ 0 0 41 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.904 109.2 47.4 -57.1 -46.0 68.1 -5.3 -45.9 30 31 A E H X S+ 0 0 118 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.860 110.9 51.5 -67.6 -36.2 70.1 -4.2 -42.9 31 32 A A H X S+ 0 0 4 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.900 111.3 48.2 -64.2 -42.7 69.0 -0.6 -43.3 32 33 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 111.6 49.6 -61.9 -45.7 65.4 -1.7 -43.5 33 34 A E H X S+ 0 0 85 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.894 109.9 50.1 -64.9 -38.9 65.8 -3.8 -40.4 34 35 A K H X S+ 0 0 50 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.903 111.7 49.2 -63.3 -42.8 67.5 -1.0 -38.4 35 36 A A H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.912 109.3 52.2 -61.1 -43.5 64.6 1.4 -39.4 36 37 A L H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.859 102.6 58.1 -64.6 -36.5 62.0 -1.2 -38.4 37 38 A K H X S+ 0 0 125 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.907 110.1 45.0 -57.5 -42.6 63.6 -1.6 -34.9 38 39 A Q H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.891 110.9 53.6 -67.3 -40.4 63.0 2.1 -34.5 39 40 A L H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 107.8 49.7 -62.4 -41.1 59.5 1.9 -35.8 40 41 A Y H X S+ 0 0 49 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.906 110.7 49.8 -64.8 -41.8 58.5 -0.9 -33.3 41 42 A I H X S+ 0 0 53 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.874 113.4 48.2 -59.6 -39.9 59.9 1.2 -30.5 42 43 A N H X S+ 0 0 3 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.772 97.4 66.3 -76.8 -27.9 57.9 4.2 -31.8 43 44 A I H X S+ 0 0 14 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.902 108.3 42.9 -56.8 -39.4 54.6 2.3 -32.1 44 45 A D H < S+ 0 0 140 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.851 114.4 51.0 -73.1 -36.5 54.7 2.0 -28.3 45 46 A Y H < S+ 0 0 83 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 121.3 31.2 -66.2 -46.6 55.8 5.6 -28.0 46 47 A F H >< S- 0 0 7 -4,-3.3 3,-2.3 1,-0.2 2,-0.2 0.774 82.7-180.0 -84.9 -27.9 53.0 7.1 -30.2 47 48 A G T 3< S- 0 0 31 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.1 -0.458 75.8 -19.3 59.9-125.6 50.2 4.5 -29.5 48 49 A E T 3 S+ 0 0 125 -2,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.389 129.2 81.7 -90.7 2.0 47.2 5.5 -31.5 49 50 A E S < S- 0 0 96 -3,-2.3 15,-0.2 1,-0.1 -3,-0.1 -0.167 75.9-111.2 -97.8-166.3 48.6 9.1 -31.9 50 51 A Y E -A 63 0A 4 13,-2.6 13,-2.9 -2,-0.1 2,-0.1 -0.892 18.5-103.4-134.8 152.1 51.2 10.6 -34.2 51 52 A P E -A 62 0A 1 0, 0.0 11,-0.2 0, 0.0 22,-0.1 -0.445 44.2-109.9 -65.7 148.2 54.7 12.0 -34.5 52 53 A T E - 0 0 19 9,-1.6 324,-0.2 2,-0.2 11,-0.0 -0.347 41.0 -95.7 -64.9 160.0 54.9 15.8 -34.8 53 54 A P E S+ 0 0 12 0, 0.0 323,-2.6 0, 0.0 324,-0.3 0.889 106.0 14.2 -46.3 -47.1 56.1 17.0 -38.2 54 55 A A E S-B 375 0B 7 321,-0.2 7,-0.5 322,-0.1 321,-0.3 -0.843 83.7-105.5-128.9 164.7 59.7 17.2 -37.0 55 56 A T E -A 60 0A 2 319,-2.8 2,-0.5 -2,-0.3 5,-0.3 -0.374 20.4-136.8 -82.2 165.6 61.7 16.1 -34.0 56 57 A F E > S-A 59 0A 95 3,-2.3 3,-1.4 1,-0.1 317,-0.1 -0.984 92.0 -14.2-126.4 114.3 62.9 18.3 -31.1 57 58 A N T 3 S- 0 0 147 -2,-0.5 -1,-0.1 1,-0.2 316,-0.1 0.889 132.8 -55.5 51.8 40.7 66.5 17.5 -30.1 58 59 A N T 3 S+ 0 0 33 1,-0.2 2,-0.5 316,-0.1 -1,-0.2 0.560 120.5 107.7 67.6 15.6 66.0 14.3 -32.3 59 60 A I E < -A 56 0A 51 -3,-1.4 -3,-2.3 296,-0.2 296,-0.2 -0.981 64.9-134.4-121.2 121.1 63.0 13.2 -30.3 60 61 A Y E -A 55 0A 2 294,-3.2 2,-0.2 -2,-0.5 -5,-0.2 -0.360 14.5-137.6 -62.0 146.4 59.5 13.5 -31.8 61 62 A K E - 0 0 113 -7,-0.5 -9,-1.6 -2,-0.0 2,-0.4 -0.579 25.2-109.2 -91.2 170.5 56.6 14.9 -29.7 62 63 A V E +A 51 0A 57 -2,-0.2 2,-0.3 -11,-0.2 -16,-0.0 -0.874 42.8 167.0-108.4 135.1 53.2 13.2 -29.8 63 64 A M E -A 50 0A 29 -13,-2.9 -13,-2.6 -2,-0.4 4,-0.0 -0.903 31.1-106.1-142.0 167.6 50.2 14.8 -31.5 64 65 A D - 0 0 84 -2,-0.3 2,-1.3 -15,-0.2 3,-0.4 -0.086 53.3 -78.5 -84.1-171.4 46.7 14.2 -32.7 65 66 A N S S+ 0 0 15 1,-0.2 -1,-0.1 4,-0.0 43,-0.1 -0.514 97.3 97.5 -93.6 68.4 45.4 13.8 -36.3 66 67 A T + 0 0 56 -2,-1.3 -1,-0.2 44,-0.0 2,-0.1 0.292 59.2 86.3-138.2 6.3 45.3 17.5 -37.3 67 68 A E S S- 0 0 67 -3,-0.4 3,-0.2 1,-0.0 -15,-0.0 -0.339 80.6-114.2 -99.2-176.0 48.6 18.2 -39.2 68 69 A W S S+ 0 0 29 1,-0.1 3,-0.2 -2,-0.1 -1,-0.0 0.483 110.5 57.7 -89.9 -4.1 49.6 17.8 -42.8 69 70 A T >> + 0 0 0 1,-0.1 3,-1.3 2,-0.1 4,-0.7 0.413 68.9 99.0-110.9 -5.8 52.1 15.1 -41.9 70 71 A N H >> S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 3,-0.8 0.825 77.6 61.8 -59.5 -35.4 50.1 12.4 -40.1 71 72 A G H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.739 92.6 65.2 -62.5 -27.5 49.9 10.2 -43.2 72 73 A F H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.839 99.4 52.6 -66.9 -34.2 53.7 9.8 -43.3 73 74 A W H > - 0 0 48 -6,-0.2 3,-1.3 1,-0.2 4,-1.3 -0.649 31.8-150.5 -77.9 114.5 53.4 -8.6 -39.2 87 88 A K H 3> S+ 0 0 133 -2,-0.6 4,-2.6 1,-0.3 -1,-0.2 0.773 94.2 67.3 -53.4 -30.5 49.7 -8.4 -38.3 88 89 A K H 3> S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.867 100.3 48.6 -59.5 -39.4 50.6 -6.1 -35.4 89 90 A L H <> S+ 0 0 0 -3,-1.3 4,-2.8 2,-0.2 5,-0.2 0.916 110.9 49.4 -67.0 -45.2 51.7 -3.4 -37.9 90 91 A K H X S+ 0 0 67 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.894 107.3 57.1 -59.4 -42.4 48.5 -3.8 -39.9 91 92 A N H X S+ 0 0 76 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.930 113.7 36.6 -55.3 -49.9 46.5 -3.5 -36.7 92 93 A I H X S+ 0 0 17 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.916 117.2 51.8 -72.8 -41.5 47.9 -0.1 -35.8 93 94 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.887 109.4 50.1 -62.8 -39.4 48.1 1.2 -39.4 94 95 A H H X S+ 0 0 43 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.826 106.3 55.3 -70.5 -31.0 44.4 0.3 -40.0 95 96 A K H X S+ 0 0 101 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.899 106.7 51.5 -63.3 -40.9 43.4 2.1 -36.8 96 97 A N H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.935 106.6 54.6 -56.3 -48.0 45.2 5.1 -38.3 97 98 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.894 106.3 50.4 -52.0 -44.4 43.1 4.6 -41.4 98 99 A L H X S+ 0 0 71 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.886 109.1 52.1 -65.1 -36.9 39.9 4.7 -39.3 99 100 A S H X S+ 0 0 41 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.888 108.9 50.1 -61.9 -43.5 41.1 7.9 -37.7 100 101 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.882 108.7 52.3 -63.2 -38.5 41.7 9.4 -41.2 101 102 A L H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 110.5 48.3 -61.6 -43.7 38.1 8.3 -42.2 102 103 A N H X S+ 0 0 85 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 108.7 55.2 -59.3 -43.1 36.9 10.1 -39.1 103 104 A R H <>S+ 0 0 3 -4,-2.4 5,-2.5 1,-0.2 -2,-0.2 0.880 113.4 39.0 -61.0 -42.7 38.9 13.2 -40.0 104 105 A I H ><5S+ 0 0 11 -4,-2.0 3,-1.1 3,-0.2 -1,-0.2 0.898 111.9 56.9 -76.5 -39.8 37.4 13.5 -43.5 105 106 A N H 3<5S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.887 118.2 34.8 -54.4 -40.1 33.9 12.6 -42.4 106 107 A N T 3<5S- 0 0 99 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.305 106.2-128.0 -99.9 5.4 34.0 15.5 -39.9 107 108 A R T < 5 + 0 0 122 -3,-1.1 2,-0.6 1,-0.2 3,-0.4 0.877 43.2 175.0 49.0 48.2 36.1 17.8 -42.2 108 109 A I < - 0 0 66 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.777 61.3 -22.2 -91.8 119.5 38.7 18.4 -39.4 109 110 A A S S+ 0 0 40 -2,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.865 98.0 121.2 54.2 47.2 41.8 20.4 -40.3 110 111 A L + 0 0 0 -3,-0.4 2,-1.7 -7,-0.1 5,-0.1 0.160 21.9 117.2-127.1 20.0 41.5 19.8 -44.1 111 112 A D + 0 0 96 -4,-0.1 50,-0.5 3,-0.1 2,-0.3 -0.482 66.4 69.3 -90.2 67.2 41.2 23.3 -45.7 112 113 A H S S- 0 0 25 -2,-1.7 3,-0.2 48,-0.2 37,-0.1 -0.894 92.7 -99.2-164.0-177.9 44.4 23.0 -47.6 113 114 A H S > S+ 0 0 2 -2,-0.3 3,-0.6 1,-0.2 4,-0.2 0.311 91.5 96.5-101.7 6.3 45.9 21.0 -50.6 114 115 A D T 3> + 0 0 11 1,-0.2 4,-1.8 2,-0.1 -1,-0.2 0.073 42.2 116.0 -89.4 27.1 47.8 18.4 -48.6 115 116 A L H 3> S+ 0 0 0 -3,-0.2 4,-2.9 1,-0.2 5,-0.3 0.829 75.9 52.8 -61.2 -34.4 45.0 15.8 -48.8 116 117 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.936 106.5 49.7 -69.0 -49.2 47.4 13.5 -50.8 117 118 A F H 4 S+ 0 0 0 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.877 119.3 41.6 -53.7 -38.9 50.2 13.6 -48.3 118 119 A L H < S+ 0 0 0 -4,-1.8 -2,-0.2 -47,-0.1 5,-0.2 0.929 126.7 26.7 -75.5 -47.7 47.6 12.7 -45.6 119 120 A Y H X>S+ 0 0 0 -4,-2.9 5,-2.5 3,-0.2 4,-1.4 0.726 109.7 64.3 -97.0 -25.7 45.5 10.1 -47.4 120 121 A T T <>S+ 0 0 2 -4,-2.5 5,-1.7 -5,-0.3 -3,-0.2 0.958 107.8 37.8 -66.8 -53.5 47.8 8.5 -50.0 121 122 A P T 45S+ 0 0 0 0, 0.0 -43,-0.3 0, 0.0 -1,-0.2 0.576 129.8 34.8 -75.9 -7.2 50.4 6.8 -47.6 122 123 A S T >5S+ 0 0 0 -4,-0.2 4,-1.2 3,-0.1 -2,-0.2 0.816 132.0 14.4-106.1 -66.4 47.7 5.9 -45.1 123 124 A C H X5S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -3,-0.2 0.935 129.2 45.0 -85.1 -50.7 44.4 5.1 -46.7 124 125 A T H >S+ 0 0 2 -4,-1.2 4,-3.1 1,-0.2 5,-0.7 0.915 109.5 55.7 -61.7 -41.5 46.0 0.0 -47.3 127 128 A Y H X5S+ 0 0 61 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.902 108.5 48.1 -56.3 -43.8 43.7 -0.2 -50.4 128 129 A R H <5S+ 0 0 45 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.892 116.4 44.8 -57.1 -42.9 46.7 -1.2 -52.5 129 130 A I H <5S- 0 0 49 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.915 140.1 -7.1 -76.5 -46.8 47.7 -3.8 -49.9 130 131 A N H <5S- 0 0 63 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.337 86.8-113.0-137.6 5.9 44.4 -5.5 -49.1 131 132 A G << - 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0 0 95 4,-3.2 3,-2.3 -2,-0.5 -3,-0.1 -0.427 21.4-104.6 -89.1 163.5 61.8 28.2 -63.6 212 213 A D T 3 S+ 0 0 105 1,-0.3 -205,-2.9 2,-0.1 -1,-0.1 0.723 122.0 54.0 -57.9 -25.2 63.6 28.5 -67.0 213 214 A D T 3 S- 0 0 58 -207,-0.2 -1,-0.3 2,-0.1 -204,-0.2 0.290 122.0-106.9 -92.2 9.4 66.9 27.4 -65.4 214 215 A S S < S+ 0 0 0 -3,-2.3 -2,-0.1 1,-0.3 63,-0.1 0.387 82.4 125.6 76.1 0.6 65.2 24.2 -64.1 215 216 A S - 0 0 8 -5,-0.1 -4,-3.2 62,-0.1 2,-0.4 -0.319 57.1-117.5 -76.7 172.1 65.2 25.6 -60.5 216 217 A A B -F 210 0E 16 -6,-0.2 28,-0.2 28,-0.2 -6,-0.2 -0.939 9.5-147.3-121.5 134.6 61.9 25.7 -58.5 217 218 A F - 0 0 24 -8,-3.1 17,-0.2 -2,-0.4 -44,-0.1 -0.532 15.7-142.5 -73.2 158.5 59.8 28.4 -57.0 218 219 A H S S+ 0 0 8 15,-1.6 -45,-2.4 1,-0.3 2,-0.3 0.871 83.5 21.7 -82.7 -47.4 58.0 27.4 -53.8 219 220 A T E -DE 172 233D 4 14,-2.3 14,-2.8 -47,-0.2 2,-0.4 -0.886 62.3-164.6-125.0 146.1 54.8 29.4 -54.7 220 221 A F E -DE 171 232D 18 -49,-2.3 -49,-2.2 -2,-0.3 2,-0.3 -0.968 13.5-147.9-136.1 125.8 53.3 30.8 -57.9 221 222 A Y E -DE 170 231D 60 10,-3.1 9,-2.9 -2,-0.4 10,-0.7 -0.622 10.8-167.2 -91.6 146.4 50.6 33.4 -58.0 222 223 A F E - E 0 229D 4 -53,-2.5 -53,-0.1 -2,-0.3 6,-0.1 -0.839 30.6-104.2-123.5 161.6 47.8 33.8 -60.5 223 224 A D > - 0 0 37 5,-2.7 4,-2.8 -2,-0.3 5,-0.1 -0.798 23.4-152.4 -86.1 118.6 45.3 36.5 -61.3 224 225 A P T 4 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -71,-0.1 0.723 93.0 47.9 -65.3 -21.0 41.9 35.5 -60.0 225 226 A E T 4 S+ 0 0 143 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.907 129.2 16.8 -82.9 -47.0 40.1 37.6 -62.6 226 227 A T T 4 S- 0 0 90 2,-0.1 -72,-0.2 -73,-0.1 -1,-0.1 0.704 90.8-128.2-100.0 -26.5 42.0 36.5 -65.8 227 228 A G < + 0 0 9 -4,-2.8 3,-0.1 -74,-0.3 -76,-0.0 0.441 57.6 149.0 84.6 2.8 43.7 33.3 -64.7 228 229 A E - 0 0 122 -5,-0.1 -5,-2.7 -6,-0.1 -1,-0.3 -0.383 54.9-107.3 -68.5 141.8 47.0 34.7 -66.0 229 230 A P E +E 222 0D 52 0, 0.0 -7,-0.3 0, 0.0 -1,-0.1 -0.507 40.0 177.1 -65.4 139.6 50.2 33.7 -64.3 230 231 A L E - 0 0 63 -9,-2.9 2,-0.3 1,-0.3 -8,-0.2 0.814 45.8 -29.6-109.9 -68.1 51.6 36.6 -62.2 231 232 A K E -E 221 0D 120 -10,-0.7 -10,-3.1 2,-0.0 2,-0.3 -0.995 44.0-127.0-159.5 150.7 54.8 35.8 -60.2 232 233 A G E -E 220 0D 21 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.738 18.8-153.7 -97.5 150.5 56.8 33.1 -58.4 233 234 A V E -E 219 0D 62 -14,-2.8 -14,-2.3 -2,-0.3 -15,-1.6 -0.995 12.1-142.3-128.8 129.1 58.0 33.4 -54.8 234 235 A T > + 0 0 32 -2,-0.4 3,-0.7 -17,-0.2 8,-0.1 -0.512 35.5 176.0 -89.5 68.1 61.0 31.5 -53.4 235 236 A R T 3 + 0 0 111 -2,-1.4 3,-0.1 1,-0.2 9,-0.1 -0.407 57.2 20.0 -76.9 145.9 59.7 30.7 -49.9 236 237 A Q T 3 S+ 0 0 32 1,-0.3 129,-0.4 -2,-0.1 -1,-0.2 0.231 96.7 112.7 83.3 -12.0 61.6 28.6 -47.4 237 238 A G S < S- 0 0 4 -3,-0.7 -1,-0.3 7,-0.1 54,-0.1 -0.377 81.6-105.0 -85.7 169.5 65.0 29.1 -49.0 238 239 A Y S S- 0 0 100 -2,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.919 92.3 -12.7 -59.5 -49.4 67.9 31.1 -47.6 239 240 A S S > S- 0 0 39 -4,-0.1 3,-1.2 1,-0.0 5,-0.1 -0.853 75.4 -90.6-145.5 176.6 67.5 34.1 -49.9 240 241 A D T 3 S+ 0 0 123 -2,-0.3 -6,-0.1 1,-0.2 -2,-0.0 0.730 127.4 46.5 -63.9 -23.7 65.7 35.4 -53.0 241 242 A E T 3 S+ 0 0 161 2,-0.0 -1,-0.2 -7,-0.0 -3,-0.0 0.397 100.0 92.5 -99.5 -0.3 68.7 34.2 -55.1 242 243 A S S < S- 0 0 15 -3,-1.2 2,-0.3 -8,-0.1 -5,-0.1 -0.105 71.4-122.7 -91.1-173.2 69.0 30.8 -53.4 243 244 A S - 0 0 5 -28,-0.1 49,-3.5 -26,-0.0 50,-0.2 -0.794 16.9-142.7-140.3 90.7 67.6 27.3 -54.1 244 245 A W B > -G 291 0F 24 -2,-0.3 4,-1.3 47,-0.2 47,-0.2 -0.330 15.1-144.9 -56.8 123.0 65.5 25.6 -51.5 245 246 A A H > S+ 0 0 0 45,-2.2 4,-1.9 1,-0.2 3,-0.2 0.892 90.8 50.1 -66.1 -45.5 66.4 21.9 -51.7 246 247 A R H > S+ 0 0 5 44,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.866 105.3 57.7 -66.3 -33.7 63.1 20.2 -50.9 247 248 A G H > S+ 0 0 1 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 106.8 49.5 -58.6 -43.4 61.2 22.3 -53.4 248 249 A Q H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 3,-0.3 0.916 110.6 51.0 -58.8 -45.4 63.6 20.9 -56.1 249 250 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.838 101.5 59.4 -64.7 -36.0 62.9 17.4 -54.8 250 251 A W H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.883 109.6 45.6 -59.5 -37.3 59.1 17.8 -54.9 251 252 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.937 108.8 55.2 -66.4 -47.4 59.6 18.5 -58.7 252 253 A I H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.834 122.1 28.2 -57.4 -36.3 62.0 15.5 -59.1 253 254 A Y H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.1 -1,-0.2 0.855 117.7 56.3 -93.2 -41.2 59.4 13.1 -57.6 254 255 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -3,-0.2 0.844 103.7 56.2 -60.2 -35.2 56.2 14.9 -58.6 255 256 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.976 109.7 40.7 -65.2 -58.0 57.1 14.9 -62.3 256 257 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.876 112.7 57.3 -60.5 -34.1 57.6 11.1 -62.8 257 258 A L H X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 3,-0.2 0.944 112.2 40.8 -58.9 -46.3 54.6 10.3 -60.6 258 259 A S H >X S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-1.0 0.851 106.9 64.1 -68.9 -35.0 52.4 12.4 -62.9 259 260 A Y H >X S+ 0 0 27 -4,-2.5 4,-2.9 1,-0.3 3,-0.6 0.866 92.5 63.9 -56.6 -38.6 54.2 11.0 -66.0 260 261 A R H 3< S+ 0 0 30 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.877 113.4 34.0 -47.9 -40.5 52.8 7.6 -65.1 261 262 A K H << S+ 0 0 51 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.510 129.3 32.8 -99.2 -9.5 49.3 8.9 -65.6 262 263 A M H << S- 0 0 26 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.2 0.682 76.5-155.9-121.2 -33.5 49.9 11.4 -68.5 263 264 A K < + 0 0 117 -4,-2.9 2,-0.6 -5,-0.3 -4,-0.1 0.858 33.5 155.7 52.3 44.1 52.8 9.9 -70.5 264 265 A D >> - 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