==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-03 1NRW . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN, HALOACID DEHALOGENASE-LIKE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.E.CUFF,Y.KIM,R.ZHANG,A.JOACHIMIAK,F.COLLART,P.QUARTEY, . 285 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.9 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.2 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 0 0 2 0 2 0 0 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 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 PARALLEL BRIDGES PER LADDER . 0 1 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 A X 0 0 67 0, 0.0 231,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 136.3 34.3 17.8 29.1 2 2 A K + 0 0 110 229,-3.2 34,-2.9 1,-0.3 2,-0.4 0.578 360.0 33.5-109.1 -18.0 35.0 14.2 28.5 3 3 A L E -ab 36 232A 0 228,-1.5 230,-2.0 32,-0.2 2,-0.4 -0.997 62.8-170.0-141.9 133.5 31.8 13.4 26.5 4 4 A I E -ab 37 233A 2 32,-2.6 34,-2.8 -2,-0.4 2,-0.5 -0.984 8.2-156.8-129.2 121.3 29.9 15.6 24.1 5 5 A A E -ab 38 234A 0 228,-3.1 230,-2.1 -2,-0.4 2,-0.5 -0.844 13.0-167.6 -97.8 129.7 26.4 14.7 22.8 6 6 A I E -ab 39 235A 0 32,-3.5 34,-2.2 -2,-0.5 230,-0.2 -0.966 16.3-134.2-126.4 122.0 25.4 16.4 19.5 7 7 A D E > -a 40 0A 3 228,-2.1 5,-1.6 -2,-0.5 34,-0.2 -0.308 15.5-146.3 -65.7 153.1 22.0 16.5 17.9 8 8 A L I > >S+ 0 0 0 32,-1.1 5,-2.6 3,-0.2 3,-1.5 0.935 73.2 52.8 -87.3 -78.1 21.9 15.7 14.2 9 9 A D I 3 5S+ 0 0 18 1,-0.2 228,-0.3 3,-0.2 229,-0.2 -0.296 124.4 4.5 -61.3 141.8 19.1 17.7 12.4 10 10 A G I 3 5S+ 0 0 2 4,-0.3 262,-0.3 1,-0.2 -1,-0.2 0.491 135.2 51.4 64.1 3.0 19.2 21.5 13.0 11 11 A T I < 5S+ 0 0 0 -3,-1.5 266,-0.4 3,-0.1 -1,-0.2 0.492 120.2 15.2-130.5 -81.3 22.4 21.1 15.0 12 12 A L I - 0 0 20 4,-2.0 3,-2.1 -2,-0.3 -4,-0.3 -0.184 43.9 -79.5 -84.6-172.8 23.1 22.8 8.3 15 15 A S T 3 S+ 0 0 13 1,-0.3 126,-0.2 2,-0.1 115,-0.1 0.545 134.6 51.4 -68.6 -6.4 19.9 23.8 6.4 16 16 A K T 3 S- 0 0 104 2,-0.1 -1,-0.3 125,-0.1 3,-0.1 0.197 117.6-114.4-110.0 12.1 21.2 21.8 3.4 17 17 A H S < S+ 0 0 19 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.818 72.4 134.3 55.5 38.8 21.7 18.8 5.6 18 18 A Q - 0 0 97 -6,-0.0 -4,-2.0 0, 0.0 2,-0.7 -0.728 60.7-126.4-108.3 159.6 25.5 18.9 5.1 19 19 A V - 0 0 14 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.1 -0.961 38.8-131.1-104.1 113.2 28.2 18.5 7.7 20 20 A S > - 0 0 13 -2,-0.7 4,-2.7 -8,-0.5 5,-0.2 -0.170 14.7-113.7 -63.7 159.9 30.2 21.7 7.1 21 21 A L H > S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 119.8 53.5 -59.5 -39.8 34.0 21.5 6.8 22 22 A E H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 110.6 44.7 -61.4 -44.9 34.1 23.5 10.1 23 23 A N H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 112.4 51.4 -68.4 -38.6 31.9 21.1 11.9 24 24 A E H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.944 111.8 47.3 -63.1 -46.0 33.8 18.0 10.6 25 25 A N H X S+ 0 0 105 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.898 111.0 52.0 -60.8 -40.8 37.1 19.5 11.7 26 26 A A H X S+ 0 0 9 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.891 109.7 49.2 -63.5 -40.4 35.6 20.4 15.1 27 27 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.928 112.7 46.3 -64.5 -46.7 34.4 16.8 15.6 28 28 A R H X S+ 0 0 74 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.861 111.1 52.9 -65.2 -35.1 37.7 15.3 14.6 29 29 A Q H X S+ 0 0 77 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.903 107.7 51.5 -67.0 -40.1 39.6 17.7 16.9 30 30 A A H <>S+ 0 0 4 -4,-2.0 5,-2.5 2,-0.2 -2,-0.2 0.913 111.7 46.1 -62.1 -42.9 37.4 16.7 19.8 31 31 A Q H ><5S+ 0 0 68 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.865 110.0 55.4 -67.9 -32.6 38.1 13.1 19.2 32 32 A R H 3<5S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 103.1 55.2 -66.5 -34.4 41.8 14.0 18.9 33 33 A D T 3<5S- 0 0 107 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.421 125.1-104.8 -78.9 1.4 41.6 15.7 22.3 34 34 A G T < 5S+ 0 0 59 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.655 72.9 145.9 84.3 15.6 40.3 12.3 23.7 35 35 A I < - 0 0 30 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.3 -0.716 51.2-125.5 -88.9 134.2 36.7 13.5 24.0 36 36 A E E -a 3 0A 73 -34,-2.9 -32,-2.6 -2,-0.4 2,-0.5 -0.691 27.8-155.9 -79.3 120.7 34.0 10.9 23.4 37 37 A V E -a 4 0A 3 -2,-0.6 23,-2.5 -34,-0.2 2,-0.4 -0.873 11.8-175.1-104.5 130.6 31.7 12.3 20.7 38 38 A V E -ac 5 60A 0 -34,-2.8 -32,-3.5 -2,-0.5 2,-0.5 -0.983 13.4-154.6-126.1 132.3 28.1 11.1 20.5 39 39 A V E -ac 6 61A 0 21,-2.5 23,-3.1 -2,-0.4 2,-0.5 -0.927 16.7-162.8-105.8 127.2 25.6 12.1 17.8 40 40 A S E +ac 7 62A 0 -34,-2.2 -32,-1.1 -2,-0.5 2,-0.3 -0.947 17.5 155.7-120.0 126.2 22.0 11.7 19.0 41 41 A T - 0 0 2 21,-2.8 24,-1.8 -2,-0.5 25,-0.6 -0.933 50.0-131.4-145.0 162.7 18.9 11.6 16.7 42 42 A G S S+ 0 0 1 -2,-0.3 21,-0.1 22,-0.3 62,-0.1 0.550 88.2 88.7 -87.7 -9.7 15.3 10.5 16.4 43 43 A R S S- 0 0 9 1,-0.1 21,-2.9 21,-0.1 22,-0.2 -0.136 90.8 -80.2 -79.2 179.8 16.2 9.0 13.1 44 44 A A >> - 0 0 6 19,-0.2 4,-1.4 1,-0.1 3,-1.0 -0.456 33.3-116.3 -82.0 154.7 17.6 5.5 12.4 45 45 A H H 3> S+ 0 0 35 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.897 117.8 54.7 -55.2 -40.5 21.2 4.4 12.8 46 46 A F H 3> S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.760 100.8 59.2 -67.7 -22.0 21.4 3.8 9.1 47 47 A D H <> S+ 0 0 7 -3,-1.0 4,-0.8 2,-0.2 -1,-0.2 0.879 108.5 45.3 -71.0 -37.7 20.2 7.3 8.4 48 48 A V H >X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.3 3,-0.8 0.921 111.2 52.7 -70.4 -43.2 23.2 8.6 10.3 49 49 A X H 3X S+ 0 0 52 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.843 100.9 61.0 -61.2 -35.3 25.6 6.2 8.6 50 50 A S H 3< S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.2 37.8 -61.8 -31.1 24.4 7.3 5.2 51 51 A I H << S+ 0 0 26 -4,-0.8 4,-0.4 -3,-0.8 -2,-0.2 0.873 123.1 40.4 -85.9 -41.1 25.6 10.8 6.0 52 52 A F H >X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 4,-0.9 0.839 101.0 69.2 -78.3 -36.9 28.8 9.9 7.9 53 53 A E G ><5S+ 0 0 136 -4,-3.1 3,-1.2 1,-0.3 -1,-0.2 0.915 99.3 47.9 -49.6 -54.0 30.0 7.0 5.8 54 54 A P G 345S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.748 115.6 47.3 -61.7 -23.1 31.0 9.2 2.8 55 55 A L G <45S- 0 0 61 -3,-0.8 -2,-0.2 -4,-0.4 3,-0.1 0.511 107.8-123.6 -95.5 -7.5 32.8 11.6 5.1 56 56 A G T <<5 + 0 0 43 -3,-1.2 2,-0.4 -4,-0.9 -3,-0.2 0.714 57.4 154.4 71.8 19.2 34.7 8.9 7.1 57 57 A I < - 0 0 8 -5,-1.9 2,-0.4 -6,-0.1 -1,-0.3 -0.673 20.6-177.1 -84.9 132.7 33.1 10.2 10.3 58 58 A K + 0 0 94 -2,-0.4 2,-0.3 -3,-0.1 -21,-0.1 -0.951 16.5 144.4-134.0 113.7 32.8 7.7 13.1 59 59 A T - 0 0 2 -2,-0.4 -21,-0.2 13,-0.2 15,-0.2 -0.849 57.2 -81.8-137.1 171.6 31.2 8.6 16.4 60 60 A W E -c 38 0A 14 -23,-2.5 -21,-2.5 -2,-0.3 2,-0.4 -0.509 51.4-148.5 -69.7 150.8 29.0 7.0 19.0 61 61 A V E -cD 39 70A 0 9,-2.7 9,-2.3 -23,-0.2 2,-0.6 -0.976 19.5-169.7-133.4 122.7 25.4 7.1 17.8 62 62 A I E +cD 40 69A 1 -23,-3.1 -21,-2.8 -2,-0.4 2,-0.2 -0.946 27.8 171.6-104.7 120.2 22.2 7.4 19.8 63 63 A S E >>> + D 0 68A 3 5,-2.6 5,-2.1 -2,-0.6 3,-0.9 -0.744 44.8 40.4-126.2 175.0 19.3 6.8 17.4 64 64 A A G >45S- 0 0 2 -21,-2.9 3,-0.8 1,-0.2 -22,-0.3 0.882 130.5 -57.8 53.4 42.2 15.5 6.3 17.5 65 65 A N G 345S- 0 0 0 -24,-1.8 -1,-0.2 1,-0.2 -23,-0.2 0.797 109.3 -43.0 61.7 32.3 15.2 8.9 20.2 66 66 A G G <45S+ 0 0 1 -3,-0.9 147,-0.5 -25,-0.6 -1,-0.2 0.533 114.6 110.5 93.7 5.7 17.5 7.2 22.6 67 67 A A T <<5S+ 0 0 0 -4,-0.9 13,-2.7 -3,-0.8 2,-0.4 0.722 78.5 43.4 -83.0 -22.3 16.1 3.7 22.1 68 68 A V E < -DE 63 79A 7 -5,-2.1 -5,-2.6 11,-0.2 2,-0.4 -0.974 61.3-173.0-131.0 139.6 19.3 2.6 20.3 69 69 A I E +DE 62 78A 1 9,-2.0 8,-3.2 -2,-0.4 9,-1.4 -0.995 6.6 174.2-132.9 130.5 23.0 3.0 20.9 70 70 A H E -DE 61 76A 28 -9,-2.3 -9,-2.7 -2,-0.4 6,-0.2 -0.936 25.4-126.8-128.9 152.4 26.0 2.0 18.7 71 71 A D > - 0 0 10 4,-2.3 3,-2.2 -2,-0.3 -12,-0.2 -0.341 43.9 -84.1 -90.0 178.3 29.7 2.7 19.1 72 72 A P T 3 S+ 0 0 41 0, 0.0 -13,-0.2 0, 0.0 -12,-0.1 0.794 130.0 47.3 -52.6 -33.8 31.9 4.4 16.5 73 73 A E T 3 S- 0 0 112 -15,-0.1 -13,-0.1 2,-0.1 -15,-0.0 0.357 124.3-100.2 -91.5 5.1 32.6 1.1 14.7 74 74 A G < + 0 0 34 -3,-2.2 2,-0.3 1,-0.3 -14,-0.0 0.619 68.4 153.3 89.1 11.8 28.9 0.1 14.7 75 75 A R - 0 0 155 1,-0.1 -4,-2.3 2,-0.0 2,-0.3 -0.599 48.1-115.8 -75.9 136.3 28.9 -2.3 17.6 76 76 A L E +E 70 0A 96 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.553 38.2 169.3 -75.9 131.4 25.5 -2.5 19.3 77 77 A Y E - 0 0 89 -8,-3.2 2,-0.3 1,-0.3 -7,-0.2 0.602 62.8 -5.8-113.0 -21.8 25.4 -1.2 22.9 78 78 A H E -E 69 0A 43 -9,-1.4 -9,-2.0 2,-0.0 2,-0.4 -0.925 41.7-168.4-174.2 144.7 21.7 -1.1 23.5 79 79 A H E -E 68 0A 85 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.964 9.7-168.8-141.9 123.0 18.1 -1.5 22.2 80 80 A E - 0 0 40 -13,-2.7 129,-0.4 -2,-0.4 2,-0.2 -0.945 18.8-159.2-114.7 107.2 15.1 -0.3 24.2 81 81 A T - 0 0 49 -2,-0.6 2,-0.4 127,-0.1 89,-0.2 -0.499 18.8-119.2 -94.0 158.3 11.9 -1.5 22.7 82 82 A I - 0 0 3 87,-2.6 87,-0.4 -2,-0.2 5,-0.1 -0.782 47.4 -98.3 -89.5 131.6 8.3 -0.5 22.9 83 83 A D > - 0 0 103 -2,-0.4 4,-2.6 111,-0.2 3,-0.4 -0.270 32.6-127.0 -50.7 131.7 6.1 -3.3 24.2 84 84 A K H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.823 107.4 51.0 -54.6 -37.7 4.5 -5.0 21.2 85 85 A K H > S+ 0 0 170 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 112.5 46.8 -69.6 -35.7 0.9 -4.7 22.5 86 86 A R H > S+ 0 0 63 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.882 111.9 51.2 -70.8 -37.7 1.5 -1.0 23.2 87 87 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.914 109.3 50.5 -64.7 -41.8 3.0 -0.6 19.7 88 88 A Y H X S+ 0 0 85 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.932 111.0 49.8 -60.0 -45.4 0.0 -2.3 18.2 89 89 A D H X S+ 0 0 71 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.926 112.9 45.7 -58.6 -49.6 -2.3 0.0 20.1 90 90 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.931 115.3 45.1 -61.9 -49.5 -0.4 3.2 19.0 91 91 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.881 110.5 53.6 -65.5 -38.7 -0.1 2.2 15.3 92 92 A S H X S+ 0 0 34 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.922 113.2 44.9 -62.0 -41.8 -3.8 1.1 15.1 93 93 A W H X S+ 0 0 36 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.942 113.1 48.7 -67.0 -49.1 -4.8 4.5 16.4 94 94 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -2,-0.2 0.913 116.0 43.7 -58.3 -44.3 -2.5 6.5 14.2 95 95 A E H ><5S+ 0 0 53 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.922 114.0 48.6 -69.4 -43.5 -3.5 4.7 11.1 96 96 A S H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.800 111.7 51.5 -67.0 -27.4 -7.3 4.7 11.9 97 97 A E T 3<5S- 0 0 78 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.252 115.9-112.7 -94.1 11.2 -7.0 8.4 12.6 98 98 A N T < 5 + 0 0 134 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.813 62.3 150.3 64.8 34.5 -5.3 9.3 9.4 99 99 A Y < - 0 0 5 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.720 49.3-121.8 -91.9 147.5 -1.9 10.4 10.7 100 100 A Y E -H 175 0B 47 75,-2.4 75,-2.5 -2,-0.3 2,-0.3 -0.661 43.4-176.4 -80.4 148.7 1.1 9.9 8.5 101 101 A Y E -H 174 0B 2 -2,-0.3 12,-0.4 73,-0.2 2,-0.4 -0.997 26.8-159.2-151.5 155.4 3.5 7.6 10.5 102 102 A E E -H 173 0B 3 71,-1.9 71,-2.5 -2,-0.3 2,-0.6 -0.999 12.7-150.4-133.8 134.1 6.9 6.0 10.3 103 103 A V E -HI 172 110B 0 7,-2.8 7,-2.2 -2,-0.4 2,-0.6 -0.912 8.6-152.3-111.8 110.1 8.0 3.0 12.4 104 104 A F E +HI 171 109B 3 67,-2.8 66,-2.6 -2,-0.6 67,-1.2 -0.712 31.6 152.9 -83.7 118.3 11.7 2.9 13.3 105 105 A T E -H 169 0B 7 3,-1.7 64,-0.2 -2,-0.6 62,-0.0 -0.599 57.7 -90.1-128.6-170.3 12.8 -0.8 13.7 106 106 A G S S+ 0 0 46 62,-0.5 3,-0.1 -2,-0.2 -1,-0.1 0.967 121.2 38.4 -71.6 -51.6 16.1 -2.7 13.3 107 107 A S S S- 0 0 82 1,-0.1 2,-0.3 61,-0.1 -1,-0.1 0.912 126.6 -42.6 -66.1 -49.2 15.7 -3.6 9.7 108 108 A A - 0 0 16 -5,-0.1 -3,-1.7 44,-0.0 2,-0.7 -0.919 61.8 -77.2-164.3-171.9 14.1 -0.4 8.3 109 109 A I E -Ij 104 151B 2 41,-1.7 43,-2.3 -2,-0.3 2,-0.3 -0.920 47.1-152.2-107.0 106.9 11.6 2.4 8.7 110 110 A Y E +Ij 103 152B 52 -7,-2.2 -7,-2.8 -2,-0.7 43,-0.2 -0.598 26.2 154.1 -83.4 140.5 8.1 1.0 7.9 111 111 A T E - 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0 0 16 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.945 48.9-126.9-113.7 120.0 32.3 9.5 32.8 228 228 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 -226,-0.2 -0.330 17.4-126.3 -61.6 141.9 30.6 11.8 35.4 229 229 A L G > S+ 0 0 48 1,-0.3 3,-1.7 2,-0.2 20,-1.4 0.798 110.0 68.2 -61.0 -26.4 27.6 13.8 34.0 230 230 A E G 3 S+ 0 0 142 1,-0.3 -1,-0.3 19,-0.1 18,-0.0 0.735 99.2 52.0 -64.2 -20.2 29.3 16.9 35.3 231 231 A E G < S+ 0 0 61 -3,-2.0 -229,-3.2 -230,-0.1 -228,-1.5 -0.029 97.2 87.6-105.7 29.0 31.9 16.2 32.6 232 232 A T E < -b 3 0A 0 -3,-1.7 18,-1.7 -231,-0.2 17,-1.0 -0.944 53.0-167.8-127.3 149.5 29.4 15.9 29.8 233 233 A A E -bf 4 250A 0 -230,-2.0 -228,-3.1 -2,-0.3 2,-0.3 -0.952 1.7-165.6-133.2 151.9 27.9 18.5 27.5 234 234 A A E -bf 5 251A 0 16,-2.2 18,-3.5 -2,-0.3 2,-0.4 -0.998 2.1-166.6-140.7 140.0 24.9 18.2 25.1 235 235 A V E +bf 6 252A 0 -230,-2.1 -228,-2.1 -2,-0.3 2,-0.3 -0.979 21.0 137.2-130.7 140.4 23.8 20.6 22.3 236 236 A G E - f 0 253A 0 16,-1.8 18,-2.1 -2,-0.4 21,-0.1 -0.981 40.0-147.2-167.4 173.8 20.6 20.8 20.3 237 237 A D S S+ 0 0 7 -228,-0.3 21,-2.6 -2,-0.3 24,-0.2 0.594 71.5 73.3-123.8 -25.8 17.8 22.9 18.8 238 238 A S S > S- 0 0 13 -229,-0.2 3,-2.2 19,-0.2 4,-0.3 -0.515 83.8-107.3-101.7 165.2 14.6 20.9 19.0 239 239 A L G > S+ 0 0 36 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.800 113.6 63.7 -55.7 -34.9 12.2 19.8 21.7 240 240 A N G 3 S+ 0 0 5 -41,-1.2 -26,-0.4 1,-0.3 -1,-0.3 0.549 96.6 61.3 -69.6 -5.1 13.4 16.2 21.6 241 241 A D G X> S+ 0 0 0 -3,-2.2 4,-2.0 1,-0.1 3,-0.7 0.562 75.8 93.6 -94.7 -11.5 16.7 17.4 22.9 242 242 A K H <> S+ 0 0 72 -3,-1.5 4,-2.4 -4,-0.3 5,-0.2 0.903 82.5 51.6 -47.9 -52.3 15.4 18.8 26.1 243 243 A S H 3> S+ 0 0 31 -4,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.813 109.9 48.7 -60.1 -32.2 16.1 15.7 28.2 244 244 A X H <> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.855 109.5 50.6 -80.6 -29.6 19.7 15.5 27.1 245 245 A L H < S+ 0 0 5 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.916 113.5 48.1 -67.4 -39.7 20.5 19.1 27.8 246 246 A E H < S+ 0 0 117 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.890 113.4 47.2 -65.5 -39.1 18.9 18.6 31.2 247 247 A A H < S+ 0 0 14 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.873 99.0 83.1 -70.9 -38.1 21.0 15.4 31.7 248 248 A A S < S- 0 0 9 -4,-2.4 3,-0.2 1,-0.1 -15,-0.2 -0.249 83.4-124.9 -68.7 153.5 24.3 16.9 30.6 249 249 A G S S+ 0 0 36 -20,-1.4 2,-0.5 -17,-1.0 -16,-0.2 0.884 106.1 29.2 -63.4 -37.7 26.5 18.9 33.0 250 250 A K E S-f 233 0A 65 -18,-1.7 -16,-2.2 -21,-0.2 2,-0.5 -0.975 76.1-160.2-128.2 116.8 26.4 21.7 30.4 251 251 A G E -f 234 0A 1 -2,-0.5 15,-2.7 -18,-0.2 16,-1.4 -0.854 10.5-165.2 -97.5 126.2 23.3 22.1 28.1 252 252 A V E -fg 235 267A 0 -18,-3.5 -16,-1.8 -2,-0.5 2,-0.4 -0.937 6.2-152.4-116.7 132.5 23.9 24.1 25.0 253 253 A A E -fg 236 268A 0 14,-2.5 16,-2.6 -2,-0.4 -16,-0.2 -0.826 20.0-122.8-101.9 138.4 21.2 25.6 22.7 254 254 A X > - 0 0 0 -18,-2.1 3,-1.8 -2,-0.4 17,-0.2 -0.368 26.4-113.2 -71.6 157.8 21.8 26.2 19.0 255 255 A G T 3 S+ 0 0 16 15,-2.5 16,-0.3 1,-0.3 -1,-0.1 0.814 120.8 46.6 -62.0 -29.0 21.3 29.7 17.7 256 256 A N T 3 S+ 0 0 23 14,-0.3 -1,-0.3 -246,-0.2 -19,-0.1 0.201 90.6 131.9 -95.9 12.7 18.3 28.5 15.7 257 257 A A < - 0 0 7 -3,-1.8 -19,-0.2 -21,-0.1 -20,-0.1 -0.175 66.6 -93.4 -67.3 158.7 16.9 26.6 18.7 258 258 A R > - 0 0 99 -21,-2.6 4,-2.2 1,-0.1 3,-0.5 -0.329 39.5-111.2 -64.6 153.7 13.3 26.7 19.9 259 259 A E H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.859 117.1 53.6 -59.1 -37.9 12.7 29.2 22.6 260 260 A D H > S+ 0 0 59 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.835 108.8 49.8 -68.3 -29.8 12.1 26.6 25.3 261 261 A I H > S+ 0 0 0 -3,-0.5 4,-1.0 -24,-0.2 -2,-0.2 0.914 111.0 48.2 -73.0 -42.5 15.4 24.9 24.5 262 262 A K H >< S+ 0 0 66 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.903 107.1 60.0 -62.3 -37.8 17.3 28.2 24.7 263 263 A S H 3< S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 109.6 38.5 -57.8 -43.1 15.5 28.9 28.0 264 264 A I H 3< S+ 0 0 53 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.577 95.3 108.8 -87.2 -9.1 16.9 25.8 29.8 265 265 A A << - 0 0 19 -4,-1.0 -13,-0.2 -3,-0.5 3,-0.1 -0.319 58.4-152.7 -71.5 151.0 20.3 26.0 28.2 266 266 A D S S+ 0 0 110 -15,-2.7 2,-0.3 1,-0.2 -14,-0.2 0.604 86.1 17.9 -92.1 -19.2 23.5 27.0 30.2 267 267 A A E -g 252 0A 18 -16,-1.4 -14,-2.5 -5,-0.0 2,-0.4 -0.980 67.4-148.0-150.2 154.9 25.1 28.4 27.0 268 268 A V E -g 253 0A 72 -2,-0.3 -14,-0.2 -16,-0.2 2,-0.1 -0.996 16.2-171.4-130.4 134.3 23.9 29.4 23.5 269 269 A T - 0 0 8 -16,-2.6 7,-0.1 -2,-0.4 8,-0.1 -0.408 34.4 -70.3-112.2-171.4 25.9 29.0 20.4 270 270 A L - 0 0 77 6,-0.2 -15,-2.5 1,-0.2 -14,-0.3 -0.127 63.6 -78.7 -72.9 175.1 25.6 30.2 16.7 271 271 A T > > - 0 0 43 -16,-0.3 5,-1.9 -17,-0.2 3,-0.6 -0.270 43.2-106.3 -70.7 165.0 23.0 28.8 14.3 272 272 A N G > 5S+ 0 0 1 -262,-0.3 3,-1.5 1,-0.2 5,-0.2 0.908 122.5 53.6 -59.0 -40.1 23.6 25.5 12.6 273 273 A D G 3 5S+ 0 0 52 1,-0.3 -1,-0.2 2,-0.1 -259,-0.1 0.778 105.0 53.7 -65.3 -27.8 24.3 27.3 9.4 274 274 A E G < 5S- 0 0 121 -3,-0.6 -1,-0.3 -260,-0.0 -2,-0.2 0.133 125.6-101.6 -92.8 20.0 27.0 29.4 11.1 275 275 A H T <>5 + 0 0 48 -3,-1.5 4,-2.5 -264,-0.1 3,-0.3 0.896 56.6 170.9 62.5 46.0 28.7 26.3 12.4 276 276 A G H > S+ 0 0 0 -266,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.942 109.7 44.9 -62.8 -44.8 28.6 23.0 16.8 278 278 A A H > S+ 0 0 5 -3,-0.3 4,-2.2 1,-0.2 5,-0.3 0.926 112.0 53.1 -63.6 -43.2 32.2 24.1 15.9 279 279 A H H X S+ 0 0 48 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.912 108.7 49.9 -58.3 -43.1 31.8 27.4 17.7 280 280 A X H X>S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-1.3 0.935 109.1 52.2 -61.2 -46.3 30.7 25.5 20.9 281 281 A X H <5S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.889 122.5 29.1 -56.6 -42.5 33.7 23.2 20.6 282 282 A K H <5S+ 0 0 144 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.746 133.9 26.0 -92.6 -25.6 36.2 26.0 20.4 283 283 A H H <5S+ 0 0 126 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.304 121.5 37.1-127.7 13.0 34.5 28.8 22.3 284 284 A L T <5 0 0 43 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.543 360.0 360.0-135.6 -21.0 32.0 27.4 24.9 285 285 A L < 0 0 83 -5,-1.3 -1,-0.0 -4,-0.1 -52,-0.0 -0.592 360.0 360.0-108.8 360.0 33.5 24.3 26.5