==== 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 3CZK . COMPND 2 MOLECULE: SUCROSE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. GLYCINES; . AUTHOR M.I.KIM,S.RHEE . 618 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 43 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 2 2 2 2 3 0 0 0 2 0 0 1 2 1 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 4 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 . 2 3 5 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 . 3 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 0 119 0, 0.0 46,-0.0 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0-179.3 -8.4 87.9 38.3 2 7 A D >> - 0 0 91 1,-0.2 4,-1.9 46,-0.1 3,-1.4 -0.808 360.0-165.1-123.9 91.1 -9.5 90.0 35.3 3 8 A P H 3> S+ 0 0 71 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.834 88.4 49.2 -37.9 -59.6 -8.5 88.3 31.9 4 9 A P H 3> S+ 0 0 85 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.819 113.1 51.5 -56.4 -29.5 -9.1 91.4 29.6 5 10 A A H <> S+ 0 0 48 -3,-1.4 4,-1.4 2,-0.2 5,-0.1 0.895 111.7 44.2 -73.1 -43.1 -7.0 93.3 32.1 6 11 A L H X S+ 0 0 7 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.879 112.6 52.6 -69.9 -37.8 -4.2 90.8 32.1 7 12 A R H X S+ 0 0 84 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.878 107.8 51.6 -65.6 -37.3 -4.3 90.5 28.3 8 13 A A H < S+ 0 0 65 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.831 106.3 54.3 -68.7 -33.5 -4.0 94.3 28.0 9 14 A A H < S+ 0 0 28 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.942 111.8 45.0 -64.3 -45.6 -1.0 94.4 30.2 10 15 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 2,-0.1 4,-0.2 0.938 114.1 52.5 -62.5 -50.8 0.7 91.8 28.0 11 16 A A S < S+ 0 0 17 -4,-2.8 48,-0.1 1,-0.2 49,-0.1 -0.215 90.6 63.1 -72.8 178.8 -0.3 93.6 24.8 12 17 A G S S+ 0 0 64 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.516 94.6 59.5 101.7 -69.3 0.7 97.2 24.8 13 18 A P S S+ 0 0 29 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 0.602 92.6 104.2 -70.6 -6.1 4.5 96.9 25.0 14 19 A L S S- 0 0 9 -4,-0.2 -2,-0.1 1,-0.1 46,-0.1 -0.423 80.5-112.9 -76.2 148.2 3.9 95.0 21.7 15 20 A D >> - 0 0 49 -2,-0.1 4,-2.0 1,-0.1 3,-1.5 -0.633 21.1-128.9 -80.1 133.7 4.7 96.4 18.3 16 21 A P T 34 S+ 0 0 109 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.765 107.1 59.1 -53.0 -27.3 1.6 97.0 16.1 17 22 A Q T 34 S+ 0 0 157 1,-0.2 4,-0.2 2,-0.1 3,-0.0 0.787 120.3 24.3 -75.6 -26.4 3.2 95.1 13.3 18 23 A H T <> S+ 0 0 35 -3,-1.5 4,-1.8 2,-0.1 3,-0.3 0.447 93.8 99.3-115.7 -3.9 3.5 91.8 15.3 19 24 A A H X S+ 0 0 22 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.800 79.6 56.6 -53.2 -35.1 0.8 92.4 17.9 20 25 A E H > S+ 0 0 163 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.929 106.6 44.5 -68.0 -48.8 -1.6 90.2 16.0 21 26 A V H > S+ 0 0 70 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.932 117.8 45.4 -62.5 -45.1 0.4 86.9 15.9 22 27 A L H X S+ 0 0 5 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.922 111.9 49.5 -65.4 -46.5 1.4 87.2 19.5 23 28 A L H X S+ 0 0 27 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.821 108.9 56.1 -63.6 -29.1 -2.0 88.1 20.9 24 29 A S H X S+ 0 0 71 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.928 110.3 42.4 -68.9 -43.9 -3.3 85.1 18.9 25 30 A R H >X S+ 0 0 36 -4,-1.9 4,-1.3 1,-0.2 3,-0.7 0.905 111.7 56.3 -68.2 -38.8 -0.9 82.7 20.6 26 31 A Y H 3X S+ 0 0 12 -4,-2.9 4,-2.0 1,-0.2 3,-0.2 0.862 102.9 56.3 -59.8 -35.1 -1.6 84.4 23.9 27 32 A D H 3< S+ 0 0 72 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.791 110.6 42.7 -70.3 -25.9 -5.3 83.7 23.5 28 33 A Q H << S+ 0 0 155 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.641 126.7 26.3 -96.4 -11.6 -4.8 80.0 23.1 29 34 A H H >X S+ 0 0 45 -4,-1.3 4,-2.0 -3,-0.2 3,-0.7 0.615 94.7 88.8-120.3 -22.6 -2.2 79.3 25.8 30 35 A A H 3X S+ 0 0 8 -4,-2.0 4,-3.0 -5,-0.4 5,-0.2 0.854 84.4 57.1 -45.6 -48.2 -2.8 82.0 28.4 31 36 A S H 3> S+ 0 0 81 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.902 106.8 48.6 -54.9 -43.8 -5.4 80.0 30.3 32 37 A R H <> S+ 0 0 35 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.967 112.5 49.3 -60.4 -49.9 -3.0 77.2 30.9 33 38 A L H X S+ 0 0 6 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.921 113.7 45.8 -51.9 -50.5 -0.4 79.7 32.1 34 39 A L H X S+ 0 0 22 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.854 111.7 50.6 -63.8 -40.3 -2.8 81.4 34.4 35 40 A D H X S+ 0 0 113 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.911 112.1 47.8 -66.5 -41.1 -4.2 78.1 35.9 36 41 A A H X S+ 0 0 7 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.963 114.5 46.3 -62.3 -49.4 -0.7 76.9 36.5 37 42 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 -5,-0.2 5,-0.5 0.871 111.1 52.0 -62.1 -38.4 0.3 80.2 38.2 38 43 A H H X S+ 0 0 91 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.919 106.8 51.8 -64.8 -44.1 -2.9 80.3 40.2 39 44 A A H < S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 118.5 40.5 -59.7 -34.6 -2.4 76.8 41.6 40 45 A L H < S+ 0 0 22 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.912 140.5 0.5 -81.6 -45.2 1.1 77.9 42.6 41 46 A Y H >< S+ 0 0 4 -4,-3.4 3,-1.9 -5,-0.1 -3,-0.2 0.329 90.8 112.6-130.2 5.8 0.6 81.5 43.9 42 47 A G T 3< S+ 0 0 16 -4,-2.6 6,-0.2 -5,-0.5 5,-0.2 0.747 74.7 59.5 -53.5 -30.4 -3.1 82.2 43.7 43 48 A Q T 3 S+ 0 0 167 -5,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.559 81.9 107.1 -78.2 -8.3 -3.6 82.4 47.4 44 49 A R S X S- 0 0 101 -3,-1.9 3,-1.9 1,-0.1 4,-0.3 -0.509 73.0-132.7 -74.8 137.7 -1.1 85.2 47.9 45 50 A A T 3 S+ 0 0 117 1,-0.3 4,-0.2 -2,-0.2 3,-0.2 0.793 107.4 46.8 -57.9 -32.8 -2.5 88.7 48.7 46 51 A D T 3> S+ 0 0 74 1,-0.1 4,-2.3 2,-0.1 -1,-0.3 0.097 81.3 110.3 -98.1 21.9 -0.2 90.3 46.0 47 52 A Y H <> S+ 0 0 13 -3,-1.9 4,-2.8 2,-0.2 3,-0.4 0.990 78.3 41.3 -58.7 -69.9 -1.0 87.7 43.3 48 53 A A H > S+ 0 0 56 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.799 116.1 53.1 -48.4 -36.7 -3.1 89.8 40.8 49 54 A S H > S+ 0 0 88 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 111.8 43.0 -67.4 -47.3 -0.7 92.7 41.3 50 55 A W H X S+ 0 0 36 -4,-2.3 4,-3.4 -3,-0.4 5,-0.3 0.946 111.7 55.2 -64.2 -48.5 2.4 90.7 40.5 51 56 A L H X S+ 0 0 0 -4,-2.8 4,-3.8 -5,-0.2 5,-0.3 0.941 108.8 45.6 -48.8 -60.4 0.8 89.0 37.6 52 57 A A H X S+ 0 0 38 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.905 116.2 45.6 -52.2 -49.5 -0.2 92.2 35.8 53 58 A Q H >X S+ 0 0 120 -4,-1.8 4,-1.5 2,-0.2 3,-0.6 0.976 116.6 45.3 -59.3 -54.7 3.2 93.8 36.3 54 59 A W H >X S+ 0 0 2 -4,-3.4 4,-2.6 1,-0.3 3,-0.7 0.927 109.3 54.6 -54.4 -51.3 5.0 90.7 35.3 55 60 A L H 3X S+ 0 0 4 -4,-3.8 4,-1.9 -5,-0.3 -1,-0.3 0.817 105.3 55.4 -53.6 -31.7 2.8 90.1 32.3 56 61 A G H < S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.873 106.5 51.3 -60.7 -35.8 8.2 89.6 23.5 63 68 A R H 3< S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.822 104.5 55.8 -70.4 -33.2 8.6 92.8 21.5 64 69 A Q H 3< S+ 0 0 107 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.556 75.1 121.6 -76.6 -10.3 12.4 92.9 21.7 65 70 A R S << S- 0 0 8 -4,-0.7 5,-0.1 -3,-0.7 201,-0.1 -0.384 75.5-108.4 -59.2 118.8 12.6 89.4 20.1 66 71 A P >> - 0 0 61 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.131 23.2-117.4 -49.0 142.7 14.7 89.9 17.0 67 72 A Q H 3> S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.852 112.0 57.9 -52.6 -41.5 12.8 89.7 13.7 68 73 A A H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 110.1 44.5 -59.2 -39.0 14.7 86.6 12.4 69 74 A L H <> S+ 0 0 5 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.834 110.5 53.2 -75.3 -32.5 13.7 84.7 15.5 70 75 A Q H X S+ 0 0 22 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.906 109.7 49.8 -66.5 -40.0 10.1 85.8 15.4 71 76 A T H X S+ 0 0 68 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.906 109.8 50.2 -62.7 -42.6 10.0 84.6 11.8 72 77 A L H X S+ 0 0 22 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.913 105.3 58.8 -61.4 -41.6 11.5 81.3 13.0 73 78 A D H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 112.9 38.7 -54.1 -39.1 8.7 81.3 15.6 74 79 A S H < S+ 0 0 77 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.763 121.2 40.7 -85.7 -28.7 6.1 81.4 12.8 75 80 A T H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.832 87.4 100.4 -91.6 -33.7 7.8 79.1 10.3 76 81 A R S < S- 0 0 61 -4,-2.7 2,-0.4 -5,-0.2 3,-0.0 -0.156 70.3-125.9 -55.2 144.3 9.2 76.3 12.4 77 82 A H > - 0 0 147 1,-0.1 3,-1.5 234,-0.1 4,-0.1 -0.782 25.5-107.0 -95.5 137.7 7.1 73.0 12.5 78 83 A A T 3 S+ 0 0 66 -2,-0.4 298,-0.1 1,-0.3 -1,-0.1 -0.254 109.3 27.1 -57.5 149.2 6.1 71.6 15.9 79 84 A G T > S+ 0 0 12 297,-0.3 3,-2.1 296,-0.1 -1,-0.3 0.629 79.8 141.0 70.7 11.5 8.1 68.4 16.7 80 85 A W G X + 0 0 28 -3,-1.5 3,-1.5 1,-0.3 6,-0.1 0.839 62.9 61.7 -52.4 -39.0 10.9 69.8 14.5 81 86 A F G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -4,-0.1 -3,-0.1 0.493 96.5 62.1 -68.8 -6.4 13.5 68.6 17.0 82 87 A G G < S+ 0 0 1 -3,-2.1 469,-2.2 397,-0.1 396,-0.3 0.343 72.9 119.3-103.9 6.6 12.4 65.0 16.4 83 88 A Q S X S- 0 0 65 -3,-1.5 3,-1.8 467,-0.2 395,-0.1 -0.355 75.4-111.7 -70.1 153.4 13.2 64.7 12.7 84 89 A P T 3 S+ 0 0 14 0, 0.0 461,-0.1 0, 0.0 -1,-0.1 0.633 112.4 63.0 -61.6 -14.5 15.7 62.1 11.6 85 90 A H T 3 S+ 0 0 80 459,-0.2 2,-0.3 460,-0.1 459,-0.1 0.652 76.2 111.8 -85.9 -11.1 18.4 64.6 10.5 86 91 A M < + 0 0 5 -3,-1.8 2,-0.4 -6,-0.1 29,-0.1 -0.463 40.0 169.0 -66.3 121.1 18.7 65.8 14.1 87 92 A L - 0 0 0 -2,-0.3 29,-2.4 27,-0.2 30,-1.6 -0.999 20.4-144.4-134.6 128.9 22.1 64.9 15.6 88 93 A G E -ab 117 481A 0 392,-3.3 394,-3.3 -2,-0.4 2,-0.4 -0.666 14.3-173.5-102.8 154.9 23.3 66.3 18.9 89 94 A Y E -ab 118 482A 0 28,-1.7 30,-2.8 -2,-0.3 2,-0.4 -0.977 5.7-166.4-145.1 125.6 26.7 67.3 20.1 90 95 A S E +ab 119 483A 4 392,-3.1 394,-3.2 -2,-0.4 2,-0.3 -0.951 22.7 137.1-118.6 134.9 27.5 68.4 23.7 91 96 A A E -a 120 0A 2 28,-2.2 30,-2.0 -2,-0.4 2,-0.4 -0.989 53.3 -96.2-165.9 162.5 30.7 70.1 24.8 92 97 A Y > - 0 0 11 -2,-0.3 4,-2.7 28,-0.2 5,-0.2 -0.744 32.0-137.2 -83.8 130.8 32.3 72.9 26.9 93 98 A A H > S+ 0 0 2 -2,-0.4 4,-2.5 28,-0.3 5,-0.2 0.875 103.9 46.6 -56.7 -38.8 32.9 75.9 24.8 94 99 A D H > S+ 0 0 71 3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.955 114.5 44.1 -70.6 -50.4 36.3 76.4 26.4 95 100 A R H 4 S+ 0 0 39 1,-0.2 419,-3.7 2,-0.2 -2,-0.2 0.854 119.5 46.2 -61.3 -33.7 37.5 72.8 26.2 96 101 A F H < S- 0 0 2 -4,-2.7 -2,-0.2 417,-0.2 -1,-0.2 0.900 142.0 -18.5 -78.9 -43.5 36.1 72.7 22.6 97 102 A A H < S- 0 0 22 -4,-2.5 2,-2.3 -5,-0.2 -3,-0.2 0.150 82.2-113.1-155.9 26.2 37.5 75.9 21.1 98 103 A G S < S+ 0 0 37 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.1 -0.313 88.1 21.0 75.2 -60.9 38.5 78.3 23.9 99 104 A T S > S- 0 0 57 -2,-2.3 4,-2.6 -6,-0.1 49,-0.2 -0.836 84.6 -99.5-135.5 173.0 35.9 81.0 23.3 100 105 A L H > S+ 0 0 2 47,-2.9 4,-2.1 -2,-0.3 48,-0.1 0.856 125.6 49.5 -63.5 -36.0 32.5 81.5 21.7 101 106 A Q H > S+ 0 0 115 46,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.874 110.1 52.1 -69.5 -34.9 34.2 83.1 18.7 102 107 A G H > S+ 0 0 12 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.912 107.6 51.3 -65.7 -41.0 36.5 80.1 18.6 103 108 A V H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.3 0.920 107.0 54.0 -60.3 -43.3 33.5 77.8 18.7 104 109 A A H >< S+ 0 0 19 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.922 103.8 55.7 -58.4 -42.1 32.0 79.7 15.8 105 110 A E H 3< S+ 0 0 154 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.635 105.0 54.7 -64.9 -13.4 35.2 79.1 13.8 106 111 A R T XX S+ 0 0 98 -3,-1.5 3,-1.6 -4,-0.6 4,-1.2 0.382 72.5 105.1-101.2 1.9 34.7 75.3 14.4 107 112 A V H <> S+ 0 0 0 -3,-1.7 4,-2.7 -4,-0.3 5,-0.2 0.816 71.7 65.4 -52.4 -34.1 31.2 75.1 13.0 108 113 A P H 3> S+ 0 0 64 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.890 100.2 52.0 -58.8 -34.2 32.6 73.5 9.8 109 114 A Y H <> S+ 0 0 10 -3,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.919 110.1 46.7 -65.5 -45.3 33.6 70.5 12.0 110 115 A L H X>S+ 0 0 0 -4,-1.2 5,-2.4 1,-0.2 4,-1.6 0.903 111.9 51.8 -63.0 -41.5 30.1 70.2 13.5 111 116 A Q H <5S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 106.7 52.7 -63.3 -38.1 28.6 70.4 10.0 112 117 A E H <5S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 108.5 51.1 -65.4 -38.3 30.8 67.7 8.7 113 118 A L H <5S- 0 0 1 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.837 119.7-112.0 -67.5 -33.0 29.7 65.5 11.6 114 119 A G T <5 + 0 0 11 -4,-1.6 -3,-0.2 1,-0.2 -27,-0.2 0.528 54.6 169.8 109.1 14.8 26.1 66.2 10.7 115 120 A V < + 0 0 1 -5,-2.4 -1,-0.2 -6,-0.1 -27,-0.2 -0.318 19.7 160.0 -63.9 133.7 25.2 68.2 13.9 116 121 A R S S+ 0 0 87 -29,-2.4 50,-2.7 1,-0.3 2,-0.4 0.296 70.9 51.5-129.6 -4.2 21.9 70.1 14.0 117 122 A Y E -ac 88 166A 1 -30,-1.6 -28,-1.7 48,-0.3 2,-0.5 -0.966 64.6-174.4-141.6 117.6 21.8 70.5 17.7 118 123 A L E -ac 89 167A 1 48,-2.8 50,-3.7 -2,-0.4 2,-0.7 -0.948 6.6-164.5-121.1 115.7 24.7 71.9 19.7 119 124 A H E -ac 90 168A 0 -30,-2.8 -28,-2.2 -2,-0.5 2,-0.5 -0.860 6.1-164.4 -97.6 111.7 24.6 71.9 23.6 120 125 A L E -ac 91 169A 1 48,-1.9 50,-0.6 -2,-0.7 3,-0.2 -0.868 23.3-123.9 -96.7 126.4 27.2 74.3 25.0 121 126 A L - 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