==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-12 4HD5 . COMPND 2 MOLECULE: POLYSACCHARIDE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR V.E.FADOULOGLOU,M.KOKKINIDIS,N.M.GLYKOS . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 2 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 . 2 0 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 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 45 A E 0 0 200 0, 0.0 2,-0.4 0, 0.0 88,-0.2 0.000 360.0 360.0 360.0 140.2 25.3 -24.7 181.4 2 46 A Q + 0 0 19 87,-0.6 22,-0.1 86,-0.3 21,-0.0 -0.994 360.0 131.1-123.7 122.4 21.8 -25.3 180.1 3 47 A G + 0 0 14 -2,-0.4 19,-0.2 20,-0.2 87,-0.1 0.017 34.5 157.7-139.3-135.6 19.2 -23.9 182.5 4 48 A K - 0 0 132 87,-0.2 18,-2.1 1,-0.1 2,-0.4 0.961 29.9-165.0 74.6 74.4 16.1 -21.9 183.4 5 49 A I E -A 21 0A 22 86,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.743 12.3-173.1 -77.1 134.8 14.9 -23.3 186.7 6 50 A S E +A 20 0A 47 14,-2.4 14,-2.5 -2,-0.4 2,-0.3 -0.977 9.4 176.9-131.3 144.5 11.3 -22.0 187.3 7 51 A Y E -A 19 0A 75 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.967 39.8 -92.6-141.6 161.0 9.1 -22.3 190.4 8 52 A T - 0 0 70 10,-1.5 10,-0.1 -2,-0.3 8,-0.0 -0.549 57.3 -98.3 -74.7 135.4 5.6 -21.1 191.3 9 53 A P - 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.094 41.0-155.7 -57.6 153.5 5.9 -17.8 193.2 10 54 A I - 0 0 41 85,-0.1 2,-0.2 -3,-0.1 7,-0.1 -0.816 7.3-152.7-124.8 163.3 5.7 -17.8 197.0 11 55 A T > - 0 0 81 -2,-0.3 3,-1.2 86,-0.0 86,-0.1 -0.722 45.3 -88.3-121.3 178.0 4.8 -15.3 199.7 12 56 A H T 3 S+ 0 0 47 1,-0.3 275,-0.1 -2,-0.2 276,-0.1 0.713 128.9 50.6 -59.8 -23.6 6.0 -15.0 203.4 13 57 A E T 3 S+ 0 0 149 83,-0.0 -1,-0.3 2,-0.0 83,-0.0 0.596 86.6 111.5 -88.7 -16.1 3.2 -17.4 204.4 14 58 A S < + 0 0 28 -3,-1.2 3,-0.1 1,-0.1 -4,-0.1 -0.245 36.7 177.2 -61.8 146.7 4.0 -20.1 201.7 15 59 A T + 0 0 60 1,-0.2 48,-2.6 46,-0.1 2,-0.3 0.378 66.3 32.2-121.7 -6.9 5.4 -23.5 202.8 16 60 A N E + B 0 62A 91 46,-0.2 2,-0.3 47,-0.1 46,-0.2 -0.944 52.9 175.2-148.6 166.1 5.6 -25.1 199.4 17 61 A T E - B 0 61A 8 44,-2.5 44,-3.0 -2,-0.3 2,-0.5 -0.949 31.8-111.1-160.2 169.9 6.1 -24.6 195.7 18 62 A S E - B 0 60A 38 -2,-0.3 -10,-1.5 42,-0.2 2,-0.4 -0.970 29.2-161.9-113.3 127.3 6.5 -26.5 192.5 19 63 A I E +AB 7 59A 1 40,-2.5 40,-2.6 -2,-0.5 2,-0.3 -0.932 18.9 156.3-112.9 132.6 9.9 -26.6 190.8 20 64 A H E -A 6 0A 36 -14,-2.5 -14,-2.4 -2,-0.4 2,-0.4 -0.884 30.0-128.9-141.7 174.5 10.4 -27.6 187.1 21 65 A I E +A 5 0A 3 35,-2.1 2,-0.2 -2,-0.3 -16,-0.2 -0.994 23.5 176.4-135.3 136.8 13.0 -26.9 184.5 22 66 A T + 0 0 27 -18,-2.1 -2,-0.0 -2,-0.4 34,-0.0 -0.654 52.5 53.7-126.8-180.0 12.6 -25.6 180.9 23 67 A D + 0 0 115 -2,-0.2 2,-0.3 1,-0.2 -20,-0.2 0.822 67.6 160.5 58.6 36.3 14.8 -24.7 177.9 24 68 A L - 0 0 50 -3,-0.2 -1,-0.2 1,-0.1 -21,-0.0 -0.691 25.2-176.0 -84.5 140.3 16.7 -28.0 177.9 25 69 A K + 0 0 168 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.1 0.809 64.2 68.5 -97.5 -46.8 18.5 -29.0 174.7 26 70 A D S S- 0 0 65 1,-0.1 2,-0.5 55,-0.0 -2,-0.0 -0.312 84.3-117.9 -74.3 156.1 19.8 -32.5 175.7 27 71 A S - 0 0 44 -2,-0.0 55,-1.0 -3,-0.0 2,-0.4 -0.857 35.7-172.4 -95.2 127.5 17.5 -35.5 176.2 28 72 A L E -C 81 0B 1 -2,-0.5 53,-0.2 53,-0.2 3,-0.1 -0.959 29.7-161.2-124.4 138.4 17.6 -36.8 179.8 29 73 A N E S+ 0 0 62 51,-1.6 2,-0.3 -2,-0.4 52,-0.1 0.597 86.6 15.5 -87.0 -11.9 16.1 -39.9 181.4 30 74 A E E -C 80 0B 38 50,-1.0 50,-2.7 21,-0.1 2,-0.4 -0.982 57.9-164.1-158.5 144.0 16.6 -38.2 184.8 31 75 A V E -CD 79 50B 0 19,-1.9 19,-2.1 -2,-0.3 2,-0.4 -0.999 13.4-154.5-127.4 135.3 17.3 -34.9 186.5 32 76 A Q E -CD 78 49B 79 46,-3.4 46,-2.7 -2,-0.4 2,-0.5 -0.912 0.9-156.7-105.9 135.5 18.4 -34.5 190.1 33 77 A Y E -CD 77 48B 0 15,-3.1 15,-2.2 -2,-0.4 2,-0.5 -0.971 5.1-161.0-106.7 120.7 17.8 -31.4 192.1 34 78 A K E -CD 76 47B 80 42,-3.6 42,-3.1 -2,-0.5 2,-0.4 -0.926 15.5-175.6 -99.1 126.4 20.2 -30.9 195.0 35 79 A I E +CD 75 46B 0 11,-2.6 11,-2.5 -2,-0.5 2,-0.3 -0.986 9.6 160.6-129.9 127.1 18.6 -28.4 197.5 36 80 A W E -C 74 0B 16 38,-1.8 38,-3.0 -2,-0.4 2,-0.4 -0.991 39.3-111.3-143.3 152.4 20.2 -27.1 200.7 37 81 A R E >> -C 73 0B 5 -2,-0.3 4,-2.4 7,-0.3 3,-1.0 -0.697 23.3-134.6 -79.4 132.4 19.8 -24.1 203.1 38 82 A T T 34 S+ 0 0 39 34,-2.0 -1,-0.1 -2,-0.4 113,-0.1 0.863 106.7 58.6 -53.2 -37.6 22.6 -21.6 202.9 39 83 A A T 34 S+ 0 0 27 33,-0.4 -1,-0.3 111,-0.3 114,-0.2 0.825 111.7 38.7 -62.2 -34.3 22.6 -21.6 206.7 40 84 A D T <4 S- 0 0 29 -3,-1.0 -2,-0.2 112,-0.1 -1,-0.2 0.792 107.9-133.6 -88.6 -32.1 23.3 -25.3 206.9 41 85 A G >< - 0 0 24 -4,-2.4 3,-2.0 1,-0.2 -4,-0.2 -0.007 30.3 -66.9 94.1 160.0 25.8 -25.6 204.0 42 86 A K G > S+ 0 0 86 1,-0.3 3,-1.5 2,-0.1 -1,-0.2 0.757 122.2 69.6 -53.8 -32.9 26.2 -27.9 201.0 43 87 A E G 3 S+ 0 0 201 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.711 98.1 52.0 -62.5 -21.3 27.1 -30.9 203.2 44 88 A R G < S+ 0 0 164 -3,-2.0 -1,-0.3 -7,-0.2 -7,-0.3 -0.099 82.6 138.3-107.3 33.4 23.5 -31.0 204.5 45 89 A A < - 0 0 24 -3,-1.5 2,-0.4 -9,-0.1 -9,-0.2 -0.479 41.6-147.8 -77.2 147.3 21.9 -31.1 201.0 46 90 A K E -D 35 0B 88 -11,-2.5 -11,-2.6 -2,-0.2 2,-0.3 -0.906 13.5-139.0-113.7 147.3 18.9 -33.3 200.2 47 91 A S E -D 34 0B 65 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.835 15.1-171.6-113.2 144.2 18.4 -34.7 196.7 48 92 A F E -D 33 0B 37 -15,-2.2 -15,-3.1 -2,-0.3 2,-0.3 -1.000 9.0-155.3-135.7 136.0 15.2 -35.1 194.7 49 93 A S E -D 32 0B 68 -2,-0.4 2,-0.4 -17,-0.2 -17,-0.2 -0.846 8.7-173.3-114.5 144.7 14.8 -37.0 191.4 50 94 A S E +D 31 0B 8 -19,-2.1 -19,-1.9 -2,-0.3 9,-0.1 -0.987 11.6 179.7-135.7 130.7 12.3 -36.6 188.6 51 95 A K + 0 0 129 -2,-0.4 2,-0.5 -21,-0.2 -21,-0.1 -0.203 52.7 108.8-115.3 39.0 12.1 -39.0 185.6 52 96 A E > + 0 0 73 1,-0.2 5,-3.1 -21,-0.1 6,-0.4 -0.822 33.0 169.5-124.7 91.5 9.2 -37.2 183.9 53 97 A K T > 5S+ 0 0 101 -2,-0.5 3,-2.1 3,-0.2 -1,-0.2 0.889 77.8 59.9 -65.6 -44.2 10.2 -35.3 180.7 54 98 A E T 3 5S+ 0 0 143 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.793 107.8 45.2 -57.3 -33.0 6.6 -34.6 179.6 55 99 A K T > 5S- 0 0 107 -3,-0.3 3,-0.5 3,-0.1 -1,-0.3 0.162 121.2-108.2 -95.7 16.1 5.9 -32.6 182.9 56 100 A Q T < 5 - 0 0 93 -3,-2.1 -35,-2.1 1,-0.2 -3,-0.2 0.852 66.2 -67.8 57.5 38.6 9.3 -30.8 182.5 57 101 A F T 3 -B 16 0A 35 -2,-0.5 3,-2.2 -46,-0.2 -46,-0.2 -0.999 37.4-133.9-133.3 135.3 7.7 -28.4 200.8 63 107 A I G > >S+ 0 0 8 -48,-2.6 5,-2.5 -2,-0.4 3,-1.7 0.601 97.8 82.9 -67.3 -9.9 9.8 -27.1 203.7 64 108 A K G > 5S+ 0 0 145 -49,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.787 79.9 68.7 -58.3 -27.7 8.4 -30.0 205.8 65 109 A E G < 5S+ 0 0 84 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.736 104.3 40.7 -59.9 -26.4 11.3 -31.9 204.1 66 110 A F G X 5S- 0 0 9 -3,-1.7 3,-1.5 -4,-0.2 -1,-0.3 -0.129 128.8 -96.7-112.6 33.9 13.7 -29.6 206.2 67 111 A E T < 5S- 0 0 170 -3,-1.6 -3,-0.3 1,-0.3 -2,-0.1 0.817 78.7 -58.3 55.0 35.3 11.5 -29.9 209.4 68 112 A G T 3 -C 28 0B 32 4,-2.7 3,-1.4 -2,-0.6 -53,-0.2 -0.157 28.2-100.1 -75.8 174.0 21.8 -38.0 179.5 82 126 A E T 3 S+ 0 0 121 -55,-1.0 -54,-0.1 1,-0.3 -1,-0.1 0.535 120.0 62.0 -69.6 -11.5 20.9 -40.9 177.2 83 127 A D T 3 S- 0 0 90 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.282 119.1-105.1-100.1 9.0 24.6 -41.7 176.8 84 128 A G S < S+ 0 0 55 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.207 80.1 126.7 92.0 -14.6 25.1 -42.5 180.5 85 129 A K - 0 0 126 -5,-0.1 -4,-2.7 1,-0.0 2,-0.5 -0.508 53.8-138.9 -80.0 143.4 27.0 -39.2 181.3 86 130 A T E -E 80 0B 94 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.900 27.3-174.2 -99.0 128.2 25.9 -36.9 184.2 87 131 A I E -E 79 0B 30 -8,-3.1 -8,-2.0 -2,-0.5 2,-0.3 -0.826 27.1-108.3-120.7 158.4 26.0 -33.2 183.3 88 132 A P E +E 78 0B 99 0, 0.0 -86,-0.3 0, 0.0 -10,-0.2 -0.655 32.9 175.9 -79.9 142.6 25.6 -29.9 185.1 89 133 A L E - 0 0 2 -12,-2.1 -87,-0.6 1,-0.3 2,-0.3 0.683 45.0 -58.4-106.6 -82.6 22.4 -28.0 184.2 90 134 A T E -E 77 0B 20 -13,-0.6 -13,-2.7 -89,-0.2 -1,-0.3 -0.928 37.0-121.8-160.3 176.0 21.9 -24.8 186.2 91 135 A K E +E 76 0B 102 -2,-0.3 2,-0.3 -15,-0.2 -86,-0.3 -0.895 23.4 174.6-130.3 157.7 21.5 -23.2 189.6 92 136 A S E -E 75 0B 28 -17,-2.4 -17,-3.3 -2,-0.3 2,-0.4 -0.979 20.5-131.6-157.4 167.0 18.8 -21.1 191.4 93 137 A I E +E 74 0B 71 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.980 15.5 179.5-127.6 136.2 17.8 -19.5 194.6 94 138 A I E -E 73 0B 2 -21,-2.4 -21,-3.3 -2,-0.4 2,-0.5 -0.996 12.9-157.7-132.5 137.2 14.4 -19.5 196.4 95 139 A T E -E 72 0B 44 -2,-0.4 2,-0.8 -23,-0.2 -23,-0.3 -0.949 9.8-164.9-126.0 112.2 14.0 -17.7 199.8 96 140 A F E -E 71 0B 0 -25,-2.6 -25,-3.2 -2,-0.5 -84,-0.1 -0.866 36.7-120.9 -89.6 109.5 11.3 -18.5 202.3 97 141 A E - 0 0 45 -2,-0.8 2,-0.3 -27,-0.2 53,-0.0 -0.225 27.3-144.5 -53.8 132.9 11.3 -15.5 204.6 98 142 A Q - 0 0 17 -28,-0.1 189,-0.4 1,-0.0 2,-0.1 -0.777 16.4-108.1-102.9 152.5 12.0 -16.4 208.2 99 143 A K - 0 0 90 -2,-0.3 187,-0.2 187,-0.1 -29,-0.1 -0.435 28.6-155.1 -72.9 147.6 10.6 -14.7 211.2 100 144 A V B -F 285 0C 0 185,-3.2 185,-2.4 -2,-0.1 2,-0.3 -0.947 3.1-151.0-131.9 106.1 12.9 -12.6 213.3 101 145 A P - 0 0 6 0, 0.0 56,-2.2 0, 0.0 2,-0.6 -0.653 6.3-160.5 -73.2 134.9 12.2 -11.9 217.0 102 146 A V E -g 157 0D 0 181,-0.4 198,-2.9 -2,-0.3 2,-0.2 -0.945 15.1-147.8-116.3 105.0 13.5 -8.6 218.1 103 147 A L E -gh 158 300D 0 54,-2.9 56,-1.5 -2,-0.6 2,-0.6 -0.504 3.6-150.8 -78.4 138.8 13.9 -8.8 221.9 104 148 A M E +gh 159 301D 2 196,-2.9 198,-1.6 -2,-0.2 2,-0.3 -0.944 23.4 165.1-113.0 111.7 13.3 -5.6 224.0 105 149 A Y E +g 160 0D 2 54,-2.4 56,-1.8 -2,-0.6 3,-0.1 -0.774 10.5 175.6-109.2 162.5 15.2 -5.4 227.2 106 150 A H + 0 0 28 13,-0.4 2,-0.4 1,-0.4 58,-0.2 0.364 62.3 15.5-123.1 -86.5 15.7 -2.3 229.4 107 151 A A E -o 120 0E 1 12,-2.2 14,-2.5 2,-0.1 2,-0.7 -0.765 54.0-157.5 -99.1 136.3 17.5 -2.7 232.7 108 152 A I E +o 121 0E 0 -2,-0.4 2,-0.3 12,-0.2 61,-0.2 -0.874 54.0 94.8-111.3 95.3 19.5 -5.8 233.7 109 153 A D S S- 0 0 42 12,-0.9 2,-0.2 -2,-0.7 -2,-0.1 -0.964 79.1 -87.7-166.1 162.6 19.6 -5.7 237.5 110 154 A D - 0 0 82 -2,-0.3 2,-0.5 12,-0.1 11,-0.1 -0.552 59.2-101.8 -73.4 146.7 17.9 -7.1 240.6 111 155 A Y + 0 0 77 -2,-0.2 -1,-0.1 1,-0.1 6,-0.0 -0.648 50.5 158.2 -86.4 121.4 15.0 -4.9 241.6 112 156 A H S S- 0 0 142 -2,-0.5 -1,-0.1 5,-0.0 -2,-0.0 -0.126 75.7 -86.0-124.2 32.9 15.6 -2.4 244.5 113 157 A G S S+ 0 0 52 1,-0.1 -2,-0.1 2,-0.0 4,-0.1 0.639 89.5 134.2 72.9 16.0 12.8 0.1 243.6 114 158 A Q S S- 0 0 78 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.013 74.5 -28.5 -93.7 30.8 15.3 1.9 241.3 115 159 A G S S- 0 0 39 5,-0.0 2,-0.5 -8,-0.0 5,-0.1 -0.985 106.8 -15.8 157.9-159.3 12.8 2.3 238.4 116 160 A I > - 0 0 112 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 -0.671 57.2-142.0 -79.1 120.4 9.8 0.6 236.8 117 161 A K G > S+ 0 0 119 -2,-0.5 3,-2.0 1,-0.3 -1,-0.2 0.888 97.0 55.0 -53.1 -48.7 9.6 -2.9 238.2 118 162 A D G 3 S+ 0 0 58 1,-0.3 186,-0.5 185,-0.1 -1,-0.3 0.696 100.6 61.6 -62.7 -19.1 8.5 -4.6 234.9 119 163 A L G < S+ 0 0 40 -3,-1.6 -12,-2.2 184,-0.1 2,-0.5 0.401 87.1 89.6 -87.5 0.8 11.5 -3.1 233.1 120 164 A F E < -o 107 0E 6 -3,-2.0 2,-0.5 -4,-0.2 -12,-0.2 -0.895 50.8-176.5-106.6 122.0 14.1 -5.0 235.3 121 165 A V E -o 108 0E 2 -14,-2.5 -12,-0.9 -2,-0.5 183,-0.1 -0.980 30.3-120.5-114.2 126.0 15.3 -8.4 234.4 122 166 A S > - 0 0 23 -2,-0.5 4,-3.0 182,-0.3 5,-0.2 -0.230 17.3-118.1 -64.9 150.0 17.7 -10.0 236.9 123 167 A P H > S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.879 117.0 54.4 -50.4 -41.1 21.2 -11.0 235.9 124 168 A A H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.930 112.0 43.1 -62.8 -44.7 20.4 -14.6 236.8 125 169 A N H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 113.8 51.0 -63.8 -45.8 17.3 -14.5 234.5 126 170 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.922 110.3 49.1 -60.4 -43.2 19.2 -12.7 231.8 127 171 A E H X S+ 0 0 62 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.947 111.8 49.6 -62.7 -45.4 22.1 -15.3 231.9 128 172 A A H X S+ 0 0 38 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.898 111.8 48.6 -57.8 -42.7 19.5 -18.1 231.8 129 173 A Q H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.934 113.4 45.5 -64.9 -46.8 17.8 -16.5 228.7 130 174 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.890 110.6 54.1 -65.9 -37.6 21.1 -16.0 226.9 131 175 A K H X S+ 0 0 99 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.870 104.5 55.9 -63.9 -33.3 22.3 -19.5 227.7 132 176 A H H X S+ 0 0 37 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.926 107.6 48.1 -63.2 -42.9 19.0 -20.8 226.2 133 177 A L H <>S+ 0 0 0 -4,-1.7 5,-2.7 2,-0.2 4,-0.2 0.895 114.2 47.7 -61.3 -40.9 19.8 -19.0 222.9 134 178 A K H ><5S+ 0 0 48 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.958 112.3 46.9 -65.3 -51.2 23.4 -20.4 223.0 135 179 A D H 3<5S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.748 114.3 47.7 -66.6 -24.5 22.3 -24.0 223.7 136 180 A N T 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.287 115.0-110.7-104.6 10.0 19.6 -24.0 221.0 137 181 A G T < 5 + 0 0 40 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.2 0.817 52.8 167.9 73.6 34.1 21.8 -22.5 218.3 138 182 A Y < - 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