==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-08 3CZG . COMPND 2 MOLECULE: SUCROSE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. GLYCINES; . AUTHOR M.I.KIM,S.RHEE . 607 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 3 2 2 2 3 0 0 0 2 0 0 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 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 PARALLEL BRIDGES PER LADDER . 4 3 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 1 0 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 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 6 A I 0 0 132 0, 0.0 47,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.6 -9.7 87.8 37.8 2 7 A D >> - 0 0 91 1,-0.2 4,-1.9 2,-0.0 3,-0.6 -0.826 360.0-170.3-117.6 88.3 -10.4 90.3 35.0 3 8 A P H 3> S+ 0 0 73 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.861 83.6 51.1 -45.9 -51.2 -9.1 88.7 31.7 4 9 A P H 3> S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.879 109.6 50.6 -60.2 -36.2 -9.5 91.7 29.5 5 10 A A H <> S+ 0 0 49 -3,-0.6 4,-1.6 2,-0.2 5,-0.1 0.883 113.4 45.9 -67.8 -36.6 -7.5 93.9 31.9 6 11 A L H X S+ 0 0 12 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.924 112.7 49.5 -70.3 -44.7 -4.7 91.3 32.0 7 12 A R H X S+ 0 0 72 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.906 110.1 51.9 -59.7 -42.2 -4.8 90.9 28.2 8 13 A A H X S+ 0 0 62 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.879 106.5 53.8 -62.0 -38.9 -4.6 94.7 27.9 9 14 A A H < S+ 0 0 28 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.0 43.7 -62.1 -41.2 -1.5 94.7 30.3 10 15 A F H < S+ 0 0 1 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.906 114.3 49.4 -69.9 -44.2 0.2 92.2 28.0 11 16 A A H >< S+ 0 0 29 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.791 90.1 83.8 -67.9 -31.6 -0.8 94.0 24.8 12 17 A G T 3< S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.871 93.8 38.4 -37.8 -67.6 0.3 97.4 25.8 13 18 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.582 93.1 113.7 -65.6 -12.7 4.1 97.2 25.0 14 19 A L S < S- 0 0 15 -3,-1.3 5,-0.1 -4,-0.3 46,-0.1 -0.215 74.3-112.9 -63.0 150.9 3.5 95.2 21.8 15 20 A D >> - 0 0 65 1,-0.1 3,-3.2 3,-0.0 4,-1.0 -0.725 20.9-132.0 -83.2 126.9 4.3 96.7 18.4 16 21 A P T 34 S+ 0 0 110 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.756 107.8 60.7 -52.3 -22.1 1.1 97.2 16.4 17 22 A Q T 34 S+ 0 0 158 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 0.512 118.7 26.2 -83.1 -4.9 2.8 95.5 13.5 18 23 A H T <> S+ 0 0 50 -3,-3.2 4,-1.3 2,-0.1 -1,-0.2 0.230 94.4 96.0-137.9 8.8 3.3 92.3 15.6 19 24 A A H X S+ 0 0 19 -4,-1.0 4,-3.3 2,-0.2 5,-0.3 0.907 77.6 60.5 -69.7 -41.0 0.5 92.5 18.0 20 25 A E H > S+ 0 0 142 -4,-0.4 4,-2.1 2,-0.2 5,-0.2 0.932 107.5 40.2 -52.5 -59.5 -1.9 90.3 16.0 21 26 A V H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 119.3 46.9 -59.2 -47.0 0.1 87.1 15.9 22 27 A L H X S+ 0 0 6 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.916 113.2 47.9 -61.6 -45.8 1.3 87.5 19.6 23 28 A L H X S+ 0 0 27 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.831 106.4 58.9 -65.7 -30.8 -2.2 88.3 20.8 24 29 A S H X S+ 0 0 60 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.920 109.7 42.7 -63.4 -43.3 -3.6 85.3 18.9 25 30 A R H X S+ 0 0 37 -4,-1.7 4,-1.7 2,-0.2 5,-0.3 0.856 111.3 55.8 -71.4 -34.8 -1.2 83.0 20.8 26 31 A Y H X S+ 0 0 12 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.939 104.6 54.2 -61.2 -45.4 -2.0 84.8 24.1 27 32 A D H < S+ 0 0 70 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.802 113.3 40.4 -60.9 -30.9 -5.7 84.1 23.5 28 33 A Q H < S+ 0 0 152 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.725 128.5 27.2 -92.6 -19.6 -5.3 80.4 23.1 29 34 A H H >X S+ 0 0 46 -4,-1.7 4,-1.6 -3,-0.2 3,-0.7 0.656 96.4 82.9-114.1 -22.3 -2.7 79.8 25.9 30 35 A A H 3X S+ 0 0 5 -4,-3.0 4,-2.8 -5,-0.3 5,-0.2 0.815 85.9 60.0 -56.1 -36.1 -3.1 82.5 28.5 31 36 A S H 3> S+ 0 0 79 -5,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.888 105.8 47.9 -61.9 -37.6 -5.9 80.7 30.3 32 37 A R H <> S+ 0 0 37 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.901 112.2 50.1 -68.0 -40.7 -3.7 77.7 31.1 33 38 A L H X S+ 0 0 4 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.919 112.2 47.5 -61.8 -45.4 -1.0 80.1 32.3 34 39 A L H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.872 109.5 52.2 -65.9 -39.4 -3.4 81.9 34.5 35 40 A D H X S+ 0 0 117 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.897 111.3 48.6 -64.1 -38.6 -4.8 78.7 36.0 36 41 A A H X S+ 0 0 8 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.957 114.0 44.3 -65.7 -51.2 -1.3 77.5 36.8 37 42 A L H X>S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.6 0.863 111.5 54.0 -62.6 -37.4 -0.3 80.8 38.5 38 43 A H H X5S+ 0 0 93 -4,-2.5 4,-1.8 1,-0.2 5,-0.3 0.909 106.4 52.4 -64.3 -39.9 -3.6 81.0 40.4 39 44 A A H <5S+ 0 0 74 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.840 118.8 36.8 -64.0 -31.8 -3.0 77.5 41.8 40 45 A L H <5S+ 0 0 20 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.861 140.8 4.7 -88.3 -40.4 0.4 78.5 43.0 41 46 A Y H ><5S+ 0 0 5 -4,-3.3 3,-2.5 -5,-0.1 6,-0.2 0.417 90.5 110.9-127.7 -3.1 -0.0 82.1 44.1 42 47 A G T 3< S+ 0 0 62 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.481 84.5 101.7 -88.5 -3.9 -0.5 90.9 46.2 47 52 A Y H > S+ 0 0 11 -3,-0.5 4,-3.0 -6,-0.2 5,-0.2 0.902 79.4 44.6 -46.3 -62.4 -1.3 88.4 43.4 48 53 A A H > S+ 0 0 66 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.871 116.9 46.6 -55.1 -40.6 -3.5 90.5 41.2 49 54 A S H > S+ 0 0 79 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.936 114.2 47.1 -68.2 -46.2 -1.2 93.5 41.4 50 55 A W H X S+ 0 0 19 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.910 112.0 51.1 -59.1 -46.8 1.9 91.3 40.7 51 56 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.914 109.2 48.5 -59.3 -48.6 0.3 89.5 37.8 52 57 A A H X S+ 0 0 42 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.890 115.3 46.1 -60.2 -41.6 -0.8 92.7 36.0 53 58 A Q H X S+ 0 0 83 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.926 113.3 48.0 -67.7 -46.5 2.7 94.2 36.4 54 59 A W H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.911 107.1 55.1 -63.0 -44.2 4.5 91.0 35.3 55 60 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.848 105.6 53.9 -60.0 -32.1 2.3 90.5 32.2 56 61 A G H X S+ 0 0 20 -4,-1.1 4,-2.0 -5,-0.2 -1,-0.2 0.914 109.4 47.5 -66.4 -41.4 3.2 94.0 31.1 57 62 A E H X S+ 0 0 74 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.874 110.4 52.8 -66.2 -37.8 6.9 93.1 31.5 58 63 A V H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.933 108.4 49.9 -63.4 -45.7 6.3 89.9 29.5 59 64 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.893 109.0 52.4 -60.5 -39.1 4.7 91.9 26.7 60 65 A D H X S+ 0 0 55 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.880 111.0 45.9 -65.5 -38.7 7.6 94.3 26.6 61 66 A I H X S+ 0 0 9 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.880 109.1 56.7 -71.1 -35.8 10.1 91.4 26.3 62 67 A A H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.905 105.5 51.5 -59.7 -41.6 7.9 89.8 23.6 63 68 A R H 3< S+ 0 0 96 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.869 105.0 56.7 -63.1 -37.3 8.1 93.0 21.6 64 69 A Q H 3< S+ 0 0 105 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.580 75.6 120.3 -72.6 -10.8 11.9 93.0 21.9 65 70 A R S << S- 0 0 6 -3,-1.0 5,-0.1 -4,-0.7 196,-0.1 -0.371 75.9-106.8 -59.0 125.1 12.2 89.5 20.3 66 71 A P >> - 0 0 58 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.191 22.8-119.9 -52.9 143.4 14.3 89.9 17.1 67 72 A Q H 3> S+ 0 0 101 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.877 112.4 58.1 -53.2 -43.8 12.3 89.7 13.9 68 73 A A H 3> S+ 0 0 59 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.849 111.2 43.0 -56.9 -35.7 14.3 86.6 12.7 69 74 A L H <> S+ 0 0 3 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.859 110.7 53.7 -80.0 -36.1 13.3 84.8 15.8 70 75 A Q H X S+ 0 0 21 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.874 110.3 49.6 -63.9 -34.7 9.7 86.0 15.7 71 76 A T H X S+ 0 0 64 -4,-2.7 4,-1.5 -5,-0.2 5,-0.2 0.891 108.5 52.0 -69.3 -39.5 9.7 84.6 12.1 72 77 A L H X S+ 0 0 26 -4,-1.4 4,-2.5 1,-0.2 3,-0.5 0.924 106.0 55.7 -61.1 -43.6 11.1 81.3 13.4 73 78 A D H < S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 112.4 42.7 -56.9 -35.9 8.3 81.2 16.0 74 79 A S H < S+ 0 0 73 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.647 119.6 39.1 -88.3 -17.3 5.8 81.5 13.1 75 80 A T H < S+ 0 0 88 -4,-1.5 -2,-0.2 -3,-0.5 -3,-0.2 0.752 90.7 92.4-104.6 -29.1 7.3 79.1 10.6 76 81 A R < - 0 0 57 -4,-2.5 2,-0.3 -5,-0.2 3,-0.1 -0.438 69.5-134.7 -69.9 136.5 8.6 76.2 12.8 77 82 A H > - 0 0 149 -2,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.649 26.6 -95.6 -93.5 150.0 6.2 73.3 13.3 78 83 A A T 3 S+ 0 0 68 -2,-0.3 293,-0.1 1,-0.3 -1,-0.1 -0.298 112.2 28.6 -59.3 143.1 5.5 71.6 16.6 79 84 A G T > S+ 0 0 12 292,-0.3 3,-2.4 291,-0.1 -1,-0.3 0.490 76.2 137.4 83.5 2.4 7.6 68.5 17.1 80 85 A W G X + 0 0 32 -3,-1.6 3,-1.7 1,-0.3 6,-0.1 0.850 64.8 61.6 -48.0 -41.6 10.4 69.9 14.9 81 86 A F G 3 S+ 0 0 2 1,-0.3 -1,-0.3 290,-0.1 -3,-0.1 0.590 97.1 59.7 -65.2 -12.3 13.0 68.6 17.3 82 87 A G G < S+ 0 0 0 -3,-2.4 463,-2.4 389,-0.1 390,-0.4 0.368 76.2 121.2 -99.4 5.3 12.0 65.0 16.8 83 88 A Q S X S- 0 0 77 -3,-1.7 3,-2.1 -4,-0.2 389,-0.1 -0.353 75.5-110.8 -69.0 150.6 12.6 64.9 13.1 84 89 A P T 3 S+ 0 0 13 0, 0.0 455,-0.1 0, 0.0 -1,-0.1 0.729 113.3 60.9 -50.3 -33.5 15.1 62.3 11.7 85 90 A H T 3 S+ 0 0 74 453,-0.2 2,-0.3 452,-0.1 453,-0.1 0.586 77.8 112.2 -76.4 -9.2 17.8 64.8 10.7 86 91 A X < + 0 0 6 -3,-2.1 2,-0.4 -6,-0.1 29,-0.1 -0.490 38.5 166.3 -69.8 127.0 18.1 66.0 14.3 87 92 A L - 0 0 1 -2,-0.3 29,-3.3 27,-0.2 30,-1.3 -0.988 19.0-148.8-141.4 131.3 21.5 65.1 15.8 88 93 A G E -ab 117 475A 0 386,-3.7 388,-2.6 -2,-0.4 2,-0.3 -0.632 12.7-169.7-107.1 164.7 22.9 66.6 19.0 89 94 A Y E -ab 118 476A 0 28,-1.7 30,-3.1 386,-0.3 2,-0.4 -0.976 7.5-159.4-150.2 129.8 26.2 67.5 20.5 90 95 A S E +ab 119 477A 5 386,-2.9 388,-2.6 -2,-0.3 2,-0.3 -0.958 27.1 139.9-118.1 131.3 27.0 68.5 24.1 91 96 A A E -a 120 0A 2 28,-2.6 30,-2.5 -2,-0.4 2,-0.4 -0.990 51.5-101.6-160.6 164.9 30.2 70.4 25.1 92 97 A Y > - 0 0 13 -2,-0.3 4,-2.4 28,-0.2 5,-0.2 -0.769 31.0-137.3 -88.8 137.0 31.8 73.1 27.3 93 98 A A H > S+ 0 0 2 -2,-0.4 4,-2.8 28,-0.4 5,-0.4 0.926 103.9 45.9 -62.0 -43.4 32.3 76.3 25.2 94 99 A D H > S+ 0 0 78 3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 115.3 45.3 -67.8 -38.9 35.8 76.8 26.8 95 100 A R H 4 S+ 0 0 47 2,-0.2 413,-3.4 1,-0.1 -1,-0.2 0.847 117.3 46.3 -73.5 -31.7 36.8 73.1 26.3 96 101 A F H < S- 0 0 1 -4,-2.4 -2,-0.2 411,-0.2 -3,-0.2 0.948 143.3 -18.8 -76.0 -50.3 35.5 73.1 22.8 97 102 A A H < S- 0 0 22 -4,-2.8 2,-2.0 -5,-0.2 -3,-0.2 0.159 83.0-111.8-150.2 26.2 36.9 76.3 21.4 98 103 A G S < S+ 0 0 35 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.1 -0.301 89.2 18.6 77.9 -56.6 37.9 78.6 24.3 99 104 A T S > S- 0 0 55 -2,-2.0 4,-2.3 -6,-0.2 49,-0.2 -0.865 85.9 -96.5-140.4 172.9 35.3 81.3 23.8 100 105 A L H > S+ 0 0 1 47,-3.3 4,-2.2 -2,-0.3 48,-0.1 0.868 125.0 51.2 -63.3 -35.3 31.9 81.9 22.2 101 106 A Q H > S+ 0 0 123 46,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.884 109.1 52.8 -68.0 -33.9 33.6 83.5 19.1 102 107 A G H > S+ 0 0 8 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.899 106.8 51.3 -65.5 -40.8 35.8 80.4 19.0 103 108 A V H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.942 106.6 55.0 -61.4 -45.9 32.8 78.2 19.0 104 109 A A H >< S+ 0 0 21 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.855 105.2 52.6 -56.7 -35.6 31.3 80.2 16.1 105 110 A E H 3< S+ 0 0 134 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.690 106.1 54.5 -76.3 -14.2 34.4 79.6 14.0 106 111 A R T XX S+ 0 0 80 -3,-1.3 4,-1.4 -4,-0.8 3,-0.9 0.325 74.9 104.4 -97.8 6.4 34.2 75.8 14.6 107 112 A V H <> S+ 0 0 0 -3,-1.1 4,-2.7 -4,-0.3 5,-0.2 0.846 71.9 62.7 -56.9 -34.9 30.6 75.6 13.3 108 113 A P H 3> S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.904 101.0 53.2 -58.0 -37.6 31.8 74.1 10.1 109 114 A Y H <> S+ 0 0 7 -3,-0.9 4,-1.3 1,-0.2 -2,-0.2 0.932 110.3 46.8 -60.5 -46.4 33.1 71.1 12.1 110 115 A L H X>S+ 0 0 0 -4,-1.4 5,-2.2 1,-0.2 4,-1.0 0.887 111.1 52.5 -62.9 -40.5 29.6 70.7 13.7 111 116 A Q H <5S+ 0 0 85 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.891 106.4 52.5 -62.2 -43.8 28.0 71.0 10.2 112 117 A E H <5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 107.7 52.1 -62.2 -34.0 30.1 68.3 8.7 113 118 A L H <5S- 0 0 0 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.726 118.5-112.7 -75.6 -22.0 29.2 65.9 11.6 114 119 A G T <5 + 0 0 13 -4,-1.0 -3,-0.2 -3,-0.4 -27,-0.2 0.548 55.3 166.6 100.0 11.0 25.5 66.6 11.0 115 120 A V < + 0 0 1 -5,-2.2 -1,-0.2 -6,-0.2 -27,-0.2 -0.364 14.3 163.3 -62.7 133.4 24.9 68.4 14.2 116 121 A R + 0 0 84 -29,-3.3 50,-1.9 1,-0.3 2,-0.3 0.295 67.6 48.6-130.0 2.2 21.6 70.2 14.3 117 122 A Y E -ac 88 166A 0 -30,-1.3 -28,-1.7 48,-0.3 2,-0.5 -0.933 65.9-169.2-149.6 116.5 21.3 70.7 18.1 118 123 A L E -ac 89 167A 0 48,-2.6 50,-3.3 -2,-0.3 2,-0.7 -0.945 5.8-164.6-116.5 121.7 24.2 72.1 20.2 119 124 A H E -ac 90 168A 2 -30,-3.1 -28,-2.6 -2,-0.5 2,-0.6 -0.905 6.5-167.7-102.6 115.1 24.2 72.0 24.0 120 125 A L E -ac 91 169A 1 48,-1.8 50,-0.5 -2,-0.7 3,-0.3 -0.934 24.5-124.6-102.5 125.6 26.8 74.4 25.4 121 126 A L - 0 0 2 -30,-2.5 -28,-0.4 -2,-0.6 13,-0.1 -0.138 64.1 -34.9 -61.8 164.6 27.3 73.7 29.1 122 127 A P + 0 0 20 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.146 67.3 159.5 -27.3 103.8 26.9 76.6 31.7 123 128 A F + 0 0 5 -3,-0.3 21,-2.9 47,-0.2 2,-0.2 0.289 39.0 102.7-115.5 6.5 28.2 79.7 29.9 124 129 A L B S-I 143 0B 10 19,-0.3 19,-0.3 10,-0.2 16,-0.1 -0.524 92.8 -67.7 -88.7 158.6 26.5 82.4 31.9 125 130 A R - 0 0 79 17,-3.0 13,-2.8 14,-0.4 14,-1.3 -0.193 63.4-161.3 -47.8 124.4 28.4 84.4 34.6 126 131 A A B -J 137 0C 8 11,-0.3 11,-0.2 12,-0.2 3,-0.1 -0.730 26.9 -71.7-114.2 162.3 29.2 82.0 37.4 127 132 A R - 0 0 48 9,-2.4 2,-0.2 -2,-0.3 -1,-0.1 -0.087 55.3-105.4 -48.6 140.1 30.2 82.3 41.1 128 133 A A S S- 0 0 73 -3,-0.1 2,-0.4 3,-0.0 -1,-0.1 -0.487 92.8 -0.9 -68.2 137.7 33.8 83.7 41.7 129 134 A G S S+ 0 0 67 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.0 -0.688 131.8 21.6 84.5-133.2 36.0 80.8 42.8 130 135 A D + 0 0 82 -2,-0.4 -3,-0.0 1,-0.1 -2,-0.0 -0.542 62.3 152.0 -72.7 131.8 34.3 77.4 43.0 131 136 A N >> - 0 0 36 -2,-0.3 5,-1.7 -5,-0.1 4,-0.6 0.147 61.9-106.3-147.2 20.9 31.1 77.3 41.0 132 137 A D T >45S- 0 0 29 1,-0.2 3,-1.2 2,-0.2 -2,-0.1 0.910 82.4 -47.6 50.6 54.5 30.8 73.6 40.0 133 138 A G T 345S- 0 0 21 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.866 115.6 -46.6 59.5 35.6 31.8 74.0 36.4 134 139 A G T 345S+ 0 0 7 -3,-0.1 -1,-0.2 -7,-0.1 -2,-0.2 0.386 109.8 116.2 90.2 -3.2 29.4 76.9 36.0 135 140 A F T <<5 + 0 0 22 -3,-1.2 2,-0.9 -4,-0.6 -3,-0.2 0.516 59.3 77.2 -78.6 -4.4 26.3 75.5 37.6 136 141 A A S - 0 0 61 -14,-1.3 3,-0.9 3,-0.2 -14,-0.4 -0.818 53.5-166.8-158.2 113.3 23.7 86.3 36.5 140 145 A Y T 3 S+ 0 0 7 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.623 91.6 54.2 -76.0 -11.7 21.1 84.6 34.2 141 146 A G T 3 S+ 0 0 31 1,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.296 101.4 60.6-107.0 11.8 21.3 87.6 31.8 142 147 A Q S < S- 0 0 72 -3,-0.9 -17,-3.0 -17,-0.1 -3,-0.2 -0.989 74.4-120.7-146.3 135.6 25.0 87.8 31.0 143 148 A V B -I 124 0B 1 -2,-0.4 -19,-0.3 -19,-0.3 7,-0.1 -0.307 45.3 -93.8 -66.3 148.9 27.6 85.6 29.5 144 149 A E >> - 0 0 43 -21,-2.9 3,-2.5 1,-0.1 4,-1.1 -0.513 35.7-131.7 -63.7 124.2 30.7 84.6 31.6 145 150 A P G >4 S+ 0 0 66 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.834 104.1 60.4 -48.9 -39.7 33.3 87.3 30.7 146 151 A S G 34 S+ 0 0 88 1,-0.2 3,-0.1 -47,-0.1 -2,-0.1 0.641 109.4 44.6 -66.4 -12.4 36.0 84.7 30.1 147 152 A L G <4 S- 0 0 12 -3,-2.5 -47,-3.3 1,-0.4 -46,-0.4 0.621 122.1 -97.2-103.7 -18.4 33.8 83.2 27.4 148 153 A G << - 0 0 19 -4,-1.1 -1,-0.4 -3,-0.5 2,-0.2 -0.954 45.6 -56.7 139.2-156.9 32.8 86.4 25.7 149 154 A S > - 0 0 44 -2,-0.3 4,-1.5 -3,-0.1 5,-0.1 -0.631 45.5-101.1-119.4 176.8 29.9 88.9 25.7 150 155 A N H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.869 123.9 58.4 -66.0 -34.7 26.2 88.8 25.1 151 156 A D H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.864 104.1 50.7 -61.4 -37.0 27.0 90.2 21.6 152 157 A D H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.849 108.1 52.8 -68.5 -34.1 29.1 87.1 21.0 153 158 A L H X S+ 0 0 1 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.928 110.4 47.3 -66.1 -44.5 26.2 84.9 22.1 154 159 A V H X S+ 0 0 54 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.921 112.3 49.1 -62.3 -43.5 24.0 86.7 19.6 155 160 A A H X S+ 0 0 54 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.883 112.5 50.1 -63.4 -37.1 26.6 86.3 16.9 156 161 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.935 111.4 45.4 -67.5 -48.5 26.9 82.6 17.8 157 162 A T H X S+ 0 0 3 -4,-2.9 4,-3.0 105,-0.3 -2,-0.2 0.875 112.0 52.4 -65.8 -34.3 23.2 81.9 17.7 158 163 A S H X S+ 0 0 43 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.935 113.4 44.5 -64.3 -44.9 22.8 83.8 14.4 159 164 A R H X S+ 0 0 73 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.896 114.6 48.3 -65.4 -42.6 25.6 81.7 12.9 160 165 A L H <>S+ 0 0 0 -4,-2.9 5,-3.0 1,-0.2 4,-0.4 0.942 108.4 54.4 -63.1 -46.1 24.3 78.5 14.3 161 166 A R H ><5S+ 0 0 59 -4,-3.0 3,-0.9 1,-0.2 -1,-0.2 0.853 105.8 53.5 -56.5 -35.7 20.8 79.2 13.1 162 167 A E H 3<5S+ 0 0 147 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.930 108.6 48.3 -64.7 -44.8 22.2 79.7 9.6 163 168 A A T 3<5S- 0 0 17 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.437 123.7-108.3 -75.1 0.6 23.9 76.3 9.8 164 169 A G T < 5S+ 0 0 24 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.776 73.2 140.9 77.3 28.8 20.5 74.9 11.0 165 170 A I < - 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