==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-10 3LVT . COMPND 2 MOLECULE: GLYCOSYL HYDROLASE, FAMILY 38; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR A.J.STEIN,T.A.BINKOWSKI,A.WEGER,M.BOROVILOS,S.MOY, . 833 10 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 64 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 1 1 0 2 2 2 2 0 0 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 4 1 2 1 1 0 0 1 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 7 5 2 5 4 3 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 4 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 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 0 A A 0 0 158 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.5 9.3 70.1 24.2 2 1 A X - 0 0 147 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.681 360.0-121.6-126.6 176.6 12.7 68.5 24.6 3 2 A T - 0 0 85 -2,-0.2 2,-0.1 217,-0.0 217,-0.0 -0.983 29.9-114.5-126.2 141.1 15.9 68.9 26.5 4 3 A K - 0 0 117 -2,-0.4 2,-0.4 217,-0.1 217,-0.2 -0.414 26.1-157.9 -74.3 147.3 19.3 69.5 25.1 5 4 A K E -a 221 0A 32 215,-2.4 217,-2.6 -2,-0.1 2,-0.5 -0.950 9.0-142.5-125.1 143.6 22.2 67.0 25.3 6 5 A K E -ab 222 196A 21 189,-2.3 191,-3.2 -2,-0.4 2,-0.6 -0.922 11.9-157.3-104.4 128.5 25.9 67.5 25.1 7 6 A V E -ab 223 197A 0 215,-3.6 217,-3.0 -2,-0.5 2,-0.8 -0.922 3.9-157.1-105.4 114.8 27.9 64.8 23.3 8 7 A Y E -ab 224 198A 24 189,-3.5 191,-2.8 -2,-0.6 2,-0.8 -0.802 4.2-159.9 -94.9 107.7 31.6 64.6 24.3 9 8 A I E -ab 225 199A 3 215,-2.9 217,-2.2 -2,-0.8 2,-0.6 -0.804 11.0-169.7 -87.3 112.5 33.7 62.9 21.6 10 9 A V E - b 0 200A 2 189,-2.1 191,-4.3 -2,-0.8 2,-0.3 -0.906 10.1-147.4-109.7 119.1 36.9 61.7 23.2 11 10 A S E + b 0 201A 4 -2,-0.6 37,-1.7 35,-0.4 2,-0.3 -0.652 32.7 145.7 -87.1 137.0 39.7 60.4 20.9 12 11 A H E -cb 48 202A 6 189,-2.4 191,-0.8 -2,-0.3 2,-0.3 -0.962 49.7 -79.6-161.3 165.2 41.9 57.6 22.2 13 12 A S E + b 0 203A 19 35,-1.0 2,-0.3 -2,-0.3 191,-0.1 -0.579 36.5 174.0 -79.0 133.3 43.9 54.6 21.0 14 13 A H 0 0 48 189,-1.5 -2,-0.0 -2,-0.3 188,-0.0 -0.908 360.0 360.0-137.7 114.5 42.0 51.3 20.4 15 14 A W 0 0 168 -2,-0.3 189,-0.0 189,-0.1 -2,-0.0 -0.157 360.0 360.0-147.4 360.0 44.4 48.7 18.8 16 ! 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 17 19 A Y 0 0 47 0, 0.0 297,-0.1 0, 0.0 684,-0.0 0.000 360.0 360.0 360.0 -36.8 49.7 37.9 19.5 18 20 A L - 0 0 76 297,-0.1 297,-0.2 1,-0.0 5,-0.1 -0.895 360.0-100.2-116.1 144.8 52.6 39.9 18.0 19 21 A P >> - 0 0 36 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.246 43.1-103.9 -59.9 151.8 56.3 40.0 18.9 20 22 A Y H 3> S+ 0 0 87 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.854 117.8 47.9 -48.3 -50.1 57.3 42.9 21.1 21 23 A E H 3> S+ 0 0 107 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.834 104.4 58.9 -65.1 -35.5 59.1 44.9 18.3 22 24 A E H <> S+ 0 0 97 -3,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.932 111.7 41.7 -61.7 -43.3 56.3 44.5 15.8 23 25 A H H X S+ 0 0 50 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.789 113.0 56.4 -68.6 -30.2 53.9 46.2 18.2 24 26 A H H X S+ 0 0 9 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.908 105.4 48.9 -69.6 -42.7 56.7 48.7 19.0 25 27 A X H X S+ 0 0 86 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.926 111.7 49.6 -63.9 -39.8 57.1 49.8 15.4 26 28 A R H X S+ 0 0 141 -4,-1.5 4,-3.0 -5,-0.2 -1,-0.2 0.868 104.6 58.7 -67.9 -35.6 53.4 50.3 15.0 27 29 A L H X S+ 0 0 14 -4,-1.7 4,-2.9 1,-0.2 5,-0.3 0.961 102.5 54.3 -52.4 -52.8 53.3 52.3 18.2 28 30 A I H X S+ 0 0 8 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.900 110.4 46.8 -49.7 -46.9 55.8 54.7 16.5 29 31 A E H X S+ 0 0 130 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.940 110.4 50.4 -63.2 -50.3 53.4 55.1 13.6 30 32 A L H X S+ 0 0 35 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.950 112.9 46.8 -52.1 -50.4 50.3 55.7 15.7 31 33 A V H X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.863 107.1 58.9 -66.5 -34.4 52.1 58.4 17.7 32 34 A D H X S+ 0 0 35 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.969 110.2 42.2 -49.5 -57.3 53.3 59.9 14.5 33 35 A N H X S+ 0 0 104 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.909 111.2 54.1 -62.9 -45.6 49.7 60.4 13.3 34 36 A V H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.936 113.0 44.5 -50.5 -50.4 48.4 61.6 16.7 35 37 A L H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.790 106.7 59.8 -69.2 -29.2 51.2 64.2 16.7 36 38 A D H X S+ 0 0 98 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.910 109.8 43.4 -63.5 -42.7 50.5 65.1 13.0 37 39 A L H X S+ 0 0 75 -4,-2.2 4,-2.7 2,-0.2 7,-0.2 0.923 109.5 55.9 -67.3 -45.9 46.9 66.1 13.9 38 40 A I H < S+ 0 0 37 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.902 116.6 37.3 -52.9 -43.3 47.9 67.9 17.0 39 41 A E H < S+ 0 0 90 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.908 125.2 36.9 -76.4 -43.1 50.2 70.1 14.9 40 42 A N H < S+ 0 0 130 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.888 106.7 61.0 -79.0 -44.5 48.1 70.5 11.8 41 43 A D >< - 0 0 41 -4,-2.7 3,-1.4 -5,-0.2 -1,-0.1 -0.765 54.8-172.5-101.2 105.9 44.5 70.7 13.0 42 44 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.783 86.1 57.7 -70.9 -24.4 43.8 73.7 15.3 43 45 A E T 3 S+ 0 0 139 0, 0.0 2,-0.5 0, 0.0 182,-0.1 0.607 78.2 110.3 -76.0 -17.6 40.3 72.5 16.1 44 46 A F < - 0 0 19 -3,-1.4 3,-0.1 -7,-0.2 182,-0.0 -0.490 53.1-164.8 -66.2 114.5 41.6 69.2 17.5 45 47 A N - 0 0 64 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.979 50.1 -55.7 -67.0 -58.6 41.1 69.4 21.2 46 48 A S - 0 0 5 180,-0.2 -35,-0.4 34,-0.0 2,-0.4 -0.978 38.3-120.0-173.4 165.7 43.3 66.5 22.4 47 49 A F E - d 0 79A 9 31,-2.5 33,-2.4 -2,-0.3 2,-0.8 -0.942 24.0-129.1-122.6 147.9 44.2 62.9 22.3 48 50 A H E -cd 12 80A 5 -37,-1.7 2,-1.4 -2,-0.4 -35,-1.0 -0.833 14.6-150.9-101.5 111.2 44.1 60.4 25.1 49 51 A L > - 0 0 6 31,-2.5 3,-1.0 -2,-0.8 33,-0.4 -0.186 44.0 -97.3 -86.5 43.6 47.4 58.6 25.4 50 52 A D T 3 - 0 0 2 -2,-1.4 -1,-0.1 1,-0.2 31,-0.1 0.506 57.6 -78.7 74.4 12.3 46.2 55.4 26.8 51 53 A G T 3 S+ 0 0 0 31,-0.4 33,-1.7 29,-0.4 2,-0.4 0.530 102.9 92.8 80.8 7.2 46.7 55.7 30.5 52 54 A Q B X -e 84 0B 24 -3,-1.0 3,-0.8 30,-0.2 33,-0.2 -0.992 56.5-156.9-147.4 127.3 50.5 55.0 30.5 53 55 A T T >> S+ 0 0 0 31,-2.0 3,-2.2 -2,-0.4 4,-0.9 0.728 83.8 81.3 -78.0 -24.3 53.5 57.1 30.4 54 56 A I H 3> S+ 0 0 6 31,-2.4 4,-2.9 1,-0.3 5,-0.3 0.800 76.6 75.2 -57.1 -28.5 55.8 54.5 29.0 55 57 A I H <> S+ 0 0 7 -3,-0.8 4,-1.9 30,-0.2 -1,-0.3 0.812 95.1 49.4 -52.6 -34.0 54.4 55.2 25.6 56 58 A L H <> S+ 0 0 0 -3,-2.2 4,-3.9 2,-0.2 5,-0.3 0.959 110.7 49.8 -71.5 -48.0 56.5 58.4 25.4 57 59 A D H X S+ 0 0 53 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.919 114.0 44.8 -47.4 -52.7 59.6 56.5 26.5 58 60 A D H X S+ 0 0 30 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.876 116.5 47.1 -67.0 -37.1 59.0 53.9 23.8 59 61 A Y H >X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 3,-0.9 0.957 114.5 45.1 -65.8 -49.9 58.2 56.5 21.3 60 62 A L H 3< S+ 0 0 29 -4,-3.9 -2,-0.2 1,-0.3 -1,-0.2 0.648 101.7 64.9 -75.5 -17.4 61.2 58.8 22.1 61 63 A Q H 3< S+ 0 0 133 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.760 116.3 31.2 -75.8 -21.8 63.8 56.0 22.2 62 64 A V H << S+ 0 0 62 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.764 136.1 28.1 -94.9 -33.1 63.1 55.4 18.5 63 65 A R >< + 0 0 102 -4,-2.2 3,-1.8 -5,-0.1 -2,-0.2 -0.437 65.7 158.1-132.3 58.8 62.3 59.1 17.7 64 66 A P G > + 0 0 74 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.702 66.1 72.4 -63.8 -25.8 64.2 61.4 20.2 65 67 A E G > S+ 0 0 159 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.727 89.9 63.6 -59.0 -23.0 64.1 64.5 17.9 66 68 A K G <> + 0 0 82 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.369 68.2 101.8 -89.0 6.4 60.3 64.8 18.7 67 69 A K H <> S+ 0 0 40 -3,-1.9 4,-3.2 1,-0.2 5,-0.2 0.927 81.5 52.7 -52.5 -47.1 60.8 65.4 22.4 68 70 A E H <> S+ 0 0 77 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.926 109.9 47.1 -54.2 -51.0 60.2 69.1 21.8 69 71 A A H > S+ 0 0 46 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.800 113.8 50.5 -59.7 -32.2 56.9 68.4 20.0 70 72 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.954 108.8 48.0 -74.1 -50.2 55.9 66.0 22.8 71 73 A K H X S+ 0 0 29 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.914 112.1 52.6 -54.4 -45.1 56.6 68.4 25.7 72 74 A K H X S+ 0 0 55 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.964 110.7 44.5 -55.5 -58.6 54.6 71.1 23.9 73 75 A A H <>S+ 0 0 5 -4,-1.8 5,-2.3 1,-0.2 6,-1.8 0.814 114.7 48.5 -63.0 -35.6 51.5 69.0 23.3 74 76 A V H ><5S+ 0 0 2 -4,-2.5 3,-1.2 4,-0.2 -1,-0.2 0.934 113.9 47.9 -64.6 -43.7 51.6 67.6 26.9 75 77 A Q H 3<5S+ 0 0 135 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.866 110.2 49.8 -68.6 -36.6 52.0 71.2 28.2 76 78 A A T 3<5S- 0 0 86 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.371 115.6-117.4 -76.4 1.5 49.1 72.6 26.0 77 79 A G T < 5S+ 0 0 44 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.742 83.4 121.9 65.4 24.4 47.0 69.7 27.3 78 80 A K S > - 0 0 30 216,-3.3 4,-0.8 -2,-0.4 3,-0.7 -0.655 42.7-170.3 -71.2 86.4 47.6 42.9 34.6 90 92 A D G >4 + 0 0 23 -2,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.861 68.4 55.7 -59.9 -52.3 46.7 43.9 38.2 91 93 A F G 34 S+ 0 0 48 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.843 107.7 53.0 -45.3 -41.5 45.5 40.6 39.8 92 94 A L G <4 S+ 0 0 8 -3,-0.7 -1,-0.2 213,-0.1 -2,-0.2 0.760 99.4 66.2 -76.4 -28.0 48.7 38.8 38.9 93 95 A I S << S- 0 0 0 -3,-0.9 172,-0.0 -4,-0.8 168,-0.0 -0.369 90.4 -81.7 -95.7 170.7 51.4 41.1 40.3 94 96 A S > - 0 0 11 -2,-0.1 4,-1.6 1,-0.1 -1,-0.2 -0.149 37.0-110.1 -67.1 162.8 52.2 42.0 43.9 95 97 A S H > S+ 0 0 19 546,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.921 120.3 48.0 -51.7 -47.9 50.5 44.7 46.0 96 98 A E H > S+ 0 0 1 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.896 101.6 61.4 -67.3 -43.6 53.5 46.9 45.8 97 99 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 106.1 49.1 -50.0 -45.8 54.0 46.6 42.0 98 100 A N H X S+ 0 0 5 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.945 114.2 44.7 -55.9 -51.3 50.5 48.2 41.6 99 101 A V H >X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.2 3,-0.6 0.968 112.9 51.0 -57.6 -52.5 51.4 51.0 44.0 100 102 A R H 3X S+ 0 0 6 -4,-3.9 4,-2.8 1,-0.3 5,-0.3 0.789 103.4 59.3 -61.6 -28.2 54.8 51.5 42.3 101 103 A N H 3X S+ 0 0 4 -4,-1.9 4,-2.9 -5,-0.3 -16,-0.7 0.943 110.7 42.0 -60.9 -46.5 53.2 51.6 38.9 102 104 A X H S+ 0 0 5 -4,-1.7 5,-2.0 -3,-0.5 4,-0.7 0.885 107.3 51.1 -65.3 -39.3 53.7 63.0 34.7 110 112 A Q H ><5S+ 0 0 108 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.882 103.0 59.9 -62.3 -39.1 55.3 65.8 36.9 111 113 A K H 3<5S+ 0 0 78 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.846 111.8 40.0 -59.5 -30.7 58.4 65.5 34.7 112 114 A W H 3<5S- 0 0 38 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.554 112.2-118.0 -90.5 -10.8 56.2 66.4 31.7 113 115 A G T <<5 + 0 0 50 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.581 62.8 155.0 75.7 10.2 54.2 69.0 33.6 114 116 A A < - 0 0 7 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.2 -0.463 41.0-130.9 -64.9 136.5 51.2 66.8 32.9 115 117 A P - 0 0 77 0, 0.0 -34,-0.2 0, 0.0 2,-0.2 -0.525 42.6 -77.5 -80.7 163.7 48.3 67.2 35.3 116 118 A V - 0 0 59 -2,-0.2 2,-0.2 -36,-0.1 -34,-0.1 -0.412 46.3-156.1 -69.1 127.5 46.8 64.0 36.7 117 119 A Q - 0 0 9 -36,-0.3 3,-0.1 -2,-0.2 23,-0.1 -0.587 30.3 -89.1 -91.0 160.7 44.5 61.9 34.5 118 120 A L - 0 0 6 -2,-0.2 23,-0.2 1,-0.1 2,-0.2 -0.245 53.0 -90.7 -56.4 156.1 41.8 59.5 35.6 119 121 A G E -f 141 0C 0 21,-1.9 23,-2.4 19,-0.1 2,-0.5 -0.510 48.0-145.7 -64.8 142.8 42.8 55.9 36.1 120 122 A Y E +f 142 0C 2 -69,-0.2 23,-0.2 21,-0.2 -36,-0.1 -0.971 27.1 171.3-128.6 124.8 42.3 54.1 32.9 121 123 A F E +f 143 0C 37 21,-2.8 23,-2.6 -2,-0.5 -70,-0.1 -0.672 7.6 162.8-135.2 77.7 41.2 50.5 32.5 122 124 A P S S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.723 81.0 15.2 -70.7 -24.9 40.4 49.6 28.8 123 125 A D 0 0 75 20,-0.0 -2,-0.1 0, 0.0 20,-0.0 0.779 360.0 360.0-116.1 -53.7 40.5 45.8 29.1 124 126 A T 0 0 160 19,-0.0 -35,-0.1 0, 0.0 -3,-0.0 0.221 360.0 360.0-157.3 360.0 40.4 44.6 32.7 125 ! 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 0.0 126 130 A X > 0 0 43 0, 0.0 3,-1.6 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 120.7 40.9 43.7 43.0 127 131 A G T 3 + 0 0 0 1,-0.3 120,-0.3 2,-0.1 4,-0.2 0.692 360.0 62.2 -64.6 -25.0 38.8 45.2 45.7 128 132 A Q T 3> + 0 0 0 514,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.345 69.8 105.8 -86.7 6.9 41.2 47.8 47.2 129 133 A T H <> S+ 0 0 5 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.904 75.9 55.4 -51.4 -49.6 41.3 49.7 43.9 130 134 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.944 112.3 40.9 -49.1 -55.7 39.1 52.5 45.3 131 135 A Q H > S+ 0 0 12 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.874 114.9 53.7 -61.3 -38.6 41.4 53.2 48.3 132 136 A X H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -3,-0.2 0.880 109.6 46.6 -63.2 -39.8 44.5 52.8 46.2 133 137 A X H ><>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 3,-2.0 0.938 111.8 49.9 -70.4 -48.4 43.3 55.4 43.6 134 138 A Q H ><5S+ 0 0 75 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.885 107.2 55.0 -56.7 -41.6 42.4 57.9 46.3 135 139 A L T 3<5S+ 0 0 20 -4,-2.3 681,-0.9 1,-0.3 682,-0.9 0.458 113.5 43.6 -70.2 -0.8 45.8 57.3 47.9 136 140 A A T < 5S- 0 0 5 -3,-2.0 -1,-0.3 680,-0.2 -2,-0.2 0.212 119.7-110.9-122.1 11.6 47.1 58.3 44.4 137 141 A N T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.837 77.1 130.4 59.0 39.6 44.7 61.2 43.9 138 142 A L < + 0 0 5 -5,-2.4 -1,-0.1 -8,-0.1 -19,-0.1 -0.734 22.8 167.7-115.9 81.1 42.7 59.5 41.2 139 143 A P + 0 0 71 0, 0.0 20,-2.1 0, 0.0 2,-0.4 0.596 65.5 48.7 -78.7 -7.0 39.1 60.0 42.3 140 144 A 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32.5 230 262 A D H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 115.9 50.9 -58.8 -46.6 36.2 68.2 31.1 231 263 A Y H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.807 107.5 54.4 -67.7 -29.8 33.7 65.4 30.9 232 264 A L H X S+ 0 0 16 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.870 110.4 45.2 -69.5 -36.8 34.4 64.4 34.5 233 265 A K H X S+ 0 0 65 -4,-1.5 4,-1.0 -5,-0.2 -2,-0.2 0.915 116.2 46.4 -73.5 -44.1 33.7 67.9 35.8 234 266 A A H X S+ 0 0 16 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.939 116.0 42.6 -60.9 -54.1 30.5 68.3 33.7 235 267 A V H >< S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.2 4,-0.2 0.825 107.0 59.7 -68.6 -33.6 29.0 65.0 34.5 236 268 A Q H >< S+ 0 0 83 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.814 99.4 56.7 -71.0 -27.4 29.7 64.9 38.2 237 269 A E H 3< S+ 0 0 163 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.743 114.2 39.2 -73.6 -19.5 27.7 68.1 38.9 238 270 A E T << S+ 0 0 51 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.216 82.3 134.3-115.5 14.0 24.6 66.6 37.4 239 271 A L < 0 0 46 -3,-0.7 -45,-0.1 -4,-0.2 -3,-0.0 -0.405 360.0 360.0 -69.7 137.4 24.8 63.0 38.6 240 272 A P 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.429 360.0 360.0 -62.3 360.0 21.6 61.5 40.1 241 ! 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 0.0 242 275 A L 0 0 181 0, 0.0 -93,-0.1 0, 0.0 -49,-0.0 0.000 360.0 360.0 360.0 132.6 21.9 55.8 42.0 243 276 A G + 0 0 34 1,-0.2 -94,-2.5 -95,-0.1 2,-0.4 0.967 360.0 168.4 92.4 97.1 24.5 53.2 41.2 244 277 A T E -i 149 0C 92 -96,-0.2 2,-0.3 -94,-0.0 -94,-0.2 -0.992 11.5-170.9-139.9 134.5 27.1 51.3 43.3 245 278 A V E -i 150 0C 66 -96,-2.3 -94,-2.4 -2,-0.4 2,-0.4 -0.897 18.2-149.7-116.4 147.3 29.4 48.4 42.8 246 279 A T E -i 151 0C 107 -2,-0.3 -94,-0.2 -96,-0.2 2,-0.2 -0.967 42.3 -36.8-135.1 127.0 31.3 46.7 45.7 247 280 A G 0 0 15 -96,-2.4 -118,-0.1 -2,-0.4 -2,-0.0 -0.468 360.0 360.0 72.8-138.2 34.7 44.9 46.1 248 281 A E 0 0 114 -2,-0.2 -1,-0.3 -120,-0.0 -96,-0.0 0.583 360.0 360.0 -77.0 360.0 35.8 42.6 43.3 249 ! 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 0.0 250 293 A L 0 0 89 0, 0.0 3,-0.4 0, 0.0 273,-0.1 0.000 360.0 360.0 360.0 -52.8 40.1 32.6 33.2 251 294 A A > + 0 0 16 1,-0.2 3,-1.0 2,-0.1 406,-0.2 0.253 360.0 94.5 -84.8 2.4 42.1 32.4 36.4 252 295 A N G > + 0 0 2 270,-0.5 3,-0.8 1,-0.3 4,-0.4 0.633 67.4 68.0 -71.6 -14.1 43.9 29.8 34.1 253 296 A T G > S+ 0 0 19 -3,-0.4 3,-0.7 269,-0.3 -1,-0.3 0.810 86.7 71.3 -66.7 -28.7 46.3 32.6 33.2 254 297 A S G < S+ 0 0 4 -3,-1.0 426,-0.7 1,-0.2 427,-0.3 0.682 109.1 31.3 -55.7 -21.7 47.4 32.3 36.9 255 298 A S G X S+ 0 0 4 -3,-0.8 441,-0.7 -4,-0.2 3,-0.6 0.340 87.6 114.1-124.4 2.6 49.0 28.9 36.0 256 299 A A B < S-j 696 0D 4 -3,-0.7 5,-0.2 -4,-0.4 4,-0.1 -0.636 94.6 -2.0 -73.3 130.3 50.1 29.4 32.4 257 300 A R T >> S- 0 0 2 439,-0.6 3,-1.8 -2,-0.4 4,-0.9 0.950 76.0-163.7 51.4 66.2 53.9 29.3 32.2 258 301 A V H X> S+ 0 0 5 -3,-0.6 4,-2.4 1,-0.3 3,-0.6 0.801 79.9 67.5 -44.7 -46.2 54.6 28.9 36.0 259 302 A Y H 3> S+ 0 0 42 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.762 96.7 53.3 -54.3 -32.1 58.3 30.0 35.7 260 303 A L H <> S+ 0 0 0 -3,-1.8 4,-2.6 2,-0.2 -1,-0.3 0.905 111.0 46.8 -67.5 -42.2 57.3 33.5 34.7 261 304 A K H X S+ 0 0 7 -4,-2.4 4,-3.2 -5,-0.3 3,-0.7 0.986 113.0 42.2 -51.2 -59.9 59.3 41.5 43.5 269 312 A R H 3X>S+ 0 0 19 -4,-2.8 4,-1.6 1,-0.2 5,-0.6 0.798 111.7 57.4 -58.4 -30.9 60.4 40.0 46.9 270 313 A Q H 3<>S+ 0 0 22 -4,-1.5 5,-2.9 -5,-0.2 4,-0.3 0.840 117.1 32.5 -68.6 -35.4 64.1 40.9 46.0 271 314 A L H <<>S+ 0 0 0 -4,-2.0 5,-2.3 -3,-0.7 -2,-0.2 0.929 126.5 37.7 -87.4 -51.0 63.2 44.6 45.6 272 315 A E H <5S+ 0 0 18 -4,-3.2 506,-0.5 -5,-0.2 -3,-0.2 0.823 130.0 24.9 -70.3 -37.3 60.4 45.1 48.1 273 316 A N T <5S+ 0 0 24 -4,-1.6 -3,-0.2 -5,-0.4 -1,-0.2 0.573 132.2 22.6-112.0 -15.5 61.6 42.9 51.0 274 317 A I T > S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.793 115.6 50.1 -63.0 -30.3 64.8 47.9 53.4 278 321 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.887 111.8 45.8 -77.2 -40.5 68.5 47.3 53.5 279 322 A A H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.920 109.9 56.3 -62.5 -47.5 69.3 50.4 51.4 280 323 A A H X S+ 0 0 0 -4,-2.5 4,-0.5 498,-0.3 -2,-0.2 0.874 112.9 40.4 -56.0 -40.2 66.9 52.3 53.6 281 324 A X H >X S+ 0 0 5 -4,-1.6 3,-0.8 1,-0.2 4,-0.7 0.856 110.0 59.5 -71.8 -38.3 68.9 51.2 56.7 282 325 A A H 3X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 3,-0.5 0.813 93.4 66.9 -63.4 -28.1 72.2 51.7 54.9 283 326 A Y H 3X S+ 0 0 56 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.879 89.0 65.1 -58.8 -39.1 71.3 55.4 54.4 284 327 A E H << S+ 0 0 82 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.904 115.9 29.5 -48.8 -45.0 71.6 56.0 58.1 285 328 A V H < S+ 0 0 63 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.907 130.0 35.7 -80.4 -44.3 75.2 55.2 57.9 286 329 A T H < S- 0 0 49 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.704 86.9-134.6 -94.1 -20.8 76.1 56.3 54.4 287 330 A G S < S+ 0 0 37 -4,-3.1 2,-0.3 -5,-0.3 -4,-0.1 0.515 74.9 92.6 72.6 5.9 73.9 59.4 53.7 288 331 A D - 0 0 112 -6,-0.2 -1,-0.2 -9,-0.1 -2,-0.2 -0.931 50.4-170.1-127.8 156.7 72.9 58.1 50.3 289 332 A Y - 0 0 18 -2,-0.3 2,-2.5 -3,-0.1 3,-0.3 -0.978 31.2-124.5-142.2 128.4 70.1 56.0 48.9 290 333 A P > + 0 0 32 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.369 46.7 157.0 -78.8 69.3 70.2 54.7 45.3 291 334 A H H > + 0 0 25 -2,-2.5 4,-2.4 1,-0.2 5,-0.2 0.910 68.8 50.7 -58.7 -45.1 66.9 56.2 44.1 292 335 A D H > S+ 0 0 118 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.880 109.9 47.8 -66.9 -41.3 67.8 56.2 40.5 293 336 A Q H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 112.0 50.6 -64.5 -44.7 68.9 52.6 40.2 294 337 A F H X S+ 0 0 7 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.934 108.4 52.1 -55.6 -47.8 65.8 51.5 42.1 295 338 A D H X S+ 0 0 40 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.901 112.1 47.5 -56.8 -43.0 63.6 53.5 39.7 296 339 A Y H X S+ 0 0 139 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.854 110.9 50.8 -64.8 -39.2 65.4 51.7 36.9 297 340 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.966 111.5 47.1 -66.2 -50.1 64.9 48.3 38.5 298 341 A W H X S+ 0 0 7 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.845 110.4 51.6 -59.9 -41.1 61.2 48.8 39.0 299 342 A K H X S+ 0 0 27 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.939 109.9 50.2 -60.4 -46.8 60.6 50.0 35.4 300 343 A T H < S+ 0 0 14 -4,-1.9 4,-0.3 1,-0.2 3,-0.2 0.941 114.2 44.5 -57.0 -50.5 62.4 47.0 34.0 301 344 A L H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.873 111.2 53.2 -59.0 -44.2 60.3 44.7 36.2 302 345 A L H >< S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.3 -1,-0.2 0.765 92.2 72.5 -70.3 -27.2 57.1 46.5 35.4 303 346 A Q T 3< S+ 0 0 56 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.702 95.4 56.0 -60.9 -11.5 57.7 46.2 31.7 304 347 A N T < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.232 91.5 81.5 -95.9 13.7 56.8 42.5 32.3 305 348 A H < + 0 0 0 -3,-2.4 -216,-3.3 4,-0.1 -1,-0.2 0.374 56.5 119.8-110.3 4.1 53.5 43.5 33.8 306 349 A P S >> S- 0 0 32 0, 0.0 3,-1.1 0, 0.0 4,-1.0 -0.033 75.6-100.7 -67.8 172.8 50.9 44.1 31.1 307 350 A H T 34 S+ 0 0 46 -220,-0.3 -219,-0.1 1,-0.2 6,-0.0 0.456 121.6 40.2 -75.7 -4.5 47.7 42.3 30.4 308 351 A D T 34 S+ 0 0 86 4,-0.0 -1,-0.2 3,-0.0 -3,-0.0 0.231 116.7 45.4-124.0 18.4 49.2 40.2 27.7 309 352 A S T X4 S+ 0 0 10 -3,-1.1 3,-1.7 3,-0.1 5,-0.2 0.758 106.9 41.3-121.6 -58.5 52.7 39.4 29.1 310 353 A I T 3< S+ 0 0 1 -4,-1.0 -3,-0.1 1,-0.3 -5,-0.1 0.774 105.6 68.8 -65.9 -28.5 52.8 38.2 32.8 311 354 A a T 3 S- 0 0 0 -5,-0.5 -1,-0.3 1,-0.1 -55,-0.3 0.553 104.2-132.0 -59.0 -14.5 49.7 36.1 32.2 312 355 A G S < S+ 0 0 0 -3,-1.7 -2,-0.1 1,-0.1 -55,-0.1 0.718 70.5 130.0 64.7 21.9 52.0 34.0 30.0 313 356 A a + 0 0 3 -57,-0.1 2,-0.1 209,-0.1 -1,-0.1 -0.153 48.6 65.2-107.8 36.7 49.1 34.3 27.6 314 357 A S S S- 0 0 4 -5,-0.2 2,-0.2 1,-0.1 207,-0.1 -0.425 89.7 -46.5-134.9-151.6 51.0 35.5 24.5 315 358 A V >> - 0 0 14 -297,-0.2 4,-1.0 -2,-0.1 3,-0.8 -0.542 50.0-109.9 -98.5 153.2 53.6 34.3 21.9 316 359 A D H >> S+ 0 0 6 392,-0.3 4,-2.0 1,-0.2 3,-0.9 0.856 113.2 53.8 -50.5 -50.4 57.0 32.5 22.6 317 360 A E H 3> S+ 0 0 92 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.855 105.3 55.7 -52.5 -42.9 59.3 35.3 21.6 318 361 A V H <> S+ 0 0 22 -3,-0.8 4,-1.1 2,-0.2 -1,-0.3 0.803 108.1 47.1 -58.2 -35.9 57.5 37.7 24.0 319 362 A H H < S+ 0 0 4 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.837 107.2 61.0 -77.4 -34.3 78.1 45.4 58.2 346 389 A E H 3< S+ 0 0 102 -4,-1.6 -1,-0.2 1,-0.2 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S S- 0 0 3 2,-0.2 86,-2.1 379,-0.1 87,-0.1 -0.531 86.2-114.2-106.2 176.5 60.7 41.7 57.2 367 410 A G S S+ 0 0 5 408,-0.3 2,-0.3 84,-0.2 409,-0.1 0.168 86.1 84.3 -95.5 18.3 58.0 43.2 59.5 368 411 A Y S S- 0 0 13 82,-0.1 2,-0.5 407,-0.1 -2,-0.2 -0.796 88.9 -98.3-126.6 155.4 57.4 39.9 61.3 369 412 A Q - 0 0 99 -2,-0.3 2,-0.5 81,-0.1 81,-0.2 -0.657 50.3-149.5 -67.3 122.9 58.7 37.8 64.2 370 413 A K E -V 449 0G 8 79,-2.2 79,-2.9 -2,-0.5 2,-0.5 -0.892 21.1-178.9-110.5 128.8 60.8 35.4 62.3 371 414 A T E + 0 0 23 -2,-0.5 2,-0.3 76,-0.2 76,-0.2 -0.991 23.7 135.7-125.2 123.8 61.5 31.8 63.4 372 415 A E E -V 446 0G 42 74,-2.3 74,-2.9 -2,-0.5 2,-0.8 -0.955 56.3-121.2-166.3 141.3 63.7 29.6 61.3 373 416 A V E -V 445 0G 6 -2,-0.3 2,-0.3 72,-0.3 72,-0.3 -0.834 51.9-170.6 -80.3 110.9 66.6 27.1 61.3 374 417 A V E -V 444 0G 13 70,-3.0 70,-3.6 -2,-0.8 2,-0.4 -0.742 20.1-141.8-114.7 154.8 68.9 29.1 59.1 375 418 A T E -V 443 0G 77 -2,-0.3 2,-0.4 68,-0.2 68,-0.2 -0.879 12.1-169.5-114.0 147.3 72.2 28.3 57.5 376 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