==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-SEP-11 3TVK . COMPND 2 MOLECULE: DIGUANYLATE CYCLASE YDEH; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.ZAEHRINGER,T.SCHIRMER . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 13 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 0 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 0 0 0 0 2 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 . 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 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 1 126 A A 0 0 128 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.0 12.8 24.2 66.6 2 127 A I + 0 0 156 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.948 360.0 176.2-111.9 115.5 13.7 22.7 63.3 3 128 A R > + 0 0 180 -2,-0.6 3,-1.6 3,-0.2 5,-0.0 -0.815 3.8 179.5-122.9 87.4 10.8 22.2 60.9 4 129 A S T 3 S+ 0 0 58 -2,-0.5 13,-0.2 1,-0.3 10,-0.2 0.627 77.1 63.3 -67.3 -15.6 12.2 20.9 57.6 5 130 A N T 3 S+ 0 0 92 11,-0.1 2,-0.4 8,-0.1 -1,-0.3 0.267 99.5 62.7 -93.7 12.3 8.8 20.8 56.0 6 131 A M S < S- 0 0 110 -3,-1.6 2,-0.5 7,-0.2 -3,-0.2 -0.996 76.7-131.0-140.8 130.2 8.2 24.5 56.2 7 132 A D > - 0 0 37 5,-3.4 4,-2.5 -2,-0.4 5,-0.1 -0.713 22.3-145.9 -70.9 121.1 10.0 27.5 54.7 8 133 A V T 4 S+ 0 0 142 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.885 91.6 48.1 -62.0 -40.6 10.6 29.8 57.7 9 134 A L T 4 S+ 0 0 43 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.974 128.2 19.1 -65.4 -55.9 10.2 33.1 55.8 10 135 A T T 4 S- 0 0 21 2,-0.1 -2,-0.2 54,-0.0 -1,-0.2 0.650 91.3-130.7 -91.9 -20.5 7.0 32.4 53.8 11 136 A G < + 0 0 27 -4,-2.5 -3,-0.1 1,-0.3 3,-0.1 0.359 65.6 128.2 80.3 -4.6 5.5 29.5 55.9 12 137 A L S S- 0 0 20 1,-0.1 -5,-3.4 -6,-0.1 -1,-0.3 -0.433 72.6 -92.5 -77.0 156.8 5.0 27.5 52.7 13 138 A P - 0 0 32 0, 0.0 66,-2.1 0, 0.0 -7,-0.2 -0.425 52.2-141.6 -61.1 145.7 6.2 23.9 52.3 14 139 A G B >> -a 79 0A 13 -10,-0.2 4,-1.5 64,-0.2 3,-0.6 -0.245 30.6 -70.6-102.7-168.8 9.7 24.0 50.7 15 140 A R H 3> S+ 0 0 124 64,-0.6 4,-3.0 1,-0.2 5,-0.2 0.865 125.3 56.5 -48.7 -47.8 11.8 22.0 48.2 16 141 A R H 3> S+ 0 0 132 -12,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 103.4 53.7 -60.1 -39.1 12.2 19.0 50.5 17 142 A V H <> S+ 0 0 30 -3,-0.6 4,-1.5 -13,-0.2 -1,-0.2 0.936 114.3 41.4 -61.8 -46.4 8.4 18.5 50.9 18 143 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 3,-0.3 0.945 114.2 51.4 -63.9 -50.2 7.9 18.5 47.1 19 144 A D H < S+ 0 0 73 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.912 114.6 44.0 -53.5 -45.8 11.0 16.3 46.4 20 145 A E H < S+ 0 0 122 -4,-2.5 -1,-0.2 -5,-0.2 4,-0.2 0.769 123.1 34.6 -73.5 -26.1 9.8 13.7 49.0 21 146 A S H X S+ 0 0 29 -4,-1.5 4,-2.4 -3,-0.3 5,-0.2 0.547 89.6 92.2-105.1 -11.6 6.1 13.6 47.9 22 147 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.903 85.2 50.6 -59.0 -47.1 6.3 14.1 44.2 23 148 A D H > S+ 0 0 89 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.912 113.2 47.4 -57.9 -43.7 6.4 10.4 43.1 24 149 A H H > S+ 0 0 110 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 111.6 50.2 -60.9 -46.9 3.3 9.7 45.4 25 150 A Q H < S+ 0 0 38 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.925 112.4 47.0 -58.8 -45.6 1.4 12.7 44.0 26 151 A L H >< S+ 0 0 19 -4,-2.9 3,-1.3 1,-0.2 4,-0.5 0.923 110.8 51.6 -65.7 -44.2 2.1 11.7 40.4 27 152 A R H 3< S+ 0 0 160 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.822 115.7 42.5 -57.0 -35.3 1.1 8.0 41.1 28 153 A N T 3< S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.222 86.7 92.0-101.7 11.8 -2.2 9.1 42.6 29 154 A A X + 0 0 6 -3,-1.3 3,-2.3 -4,-0.2 -1,-0.2 0.863 65.5 141.0 -71.0 -35.4 -3.1 11.8 40.1 30 155 A E T 3 + 0 0 153 -4,-0.5 3,-0.1 1,-0.4 -3,-0.0 -0.162 58.8 30.0 -52.5 140.6 -5.1 9.4 38.0 31 156 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.977 124.2 58.7 -84.1 7.3 -7.7 9.7 36.6 32 157 A L S < S- 0 0 70 -3,-2.3 2,-0.4 -4,-0.1 60,-0.2 -0.500 85.1-114.6 -90.6 162.2 -6.5 13.4 36.3 33 158 A N E -B 91 0A 38 58,-2.6 58,-2.5 -2,-0.2 2,-0.4 -0.773 26.3-135.4 -89.1 142.3 -3.3 14.7 34.7 34 159 A L E -BC 90 131A 2 97,-0.6 97,-2.7 -2,-0.4 2,-0.3 -0.850 22.2-172.2 -99.0 136.9 -0.7 16.3 36.9 35 160 A Y E -BC 89 130A 1 54,-3.3 54,-2.7 -2,-0.4 2,-0.5 -0.958 15.2-143.0-125.8 146.7 0.9 19.5 35.8 36 161 A L E -BC 88 129A 0 93,-2.8 93,-2.2 -2,-0.3 2,-0.6 -0.948 11.4-163.9-110.4 125.1 3.8 21.5 37.4 37 162 A M E -BC 87 128A 5 50,-2.5 50,-2.4 -2,-0.5 2,-0.5 -0.951 3.5-164.4-109.8 117.8 3.7 25.3 37.3 38 163 A L E -BC 86 127A 0 89,-3.2 89,-2.5 -2,-0.6 2,-0.4 -0.889 7.9-171.1-103.3 127.9 7.0 27.0 38.0 39 164 A L E -BC 85 126A 0 46,-2.8 46,-2.9 -2,-0.5 2,-0.4 -0.984 5.6-172.4-124.2 130.6 6.8 30.7 38.8 40 165 A D E -BC 84 125A 4 85,-2.4 85,-2.0 -2,-0.4 2,-0.2 -0.982 29.5-117.5-122.4 134.1 9.7 33.2 39.1 41 166 A I E > - C 0 124A 2 42,-2.0 3,-0.9 -2,-0.4 2,-0.3 -0.496 39.3-114.8 -67.9 131.2 9.4 36.7 40.4 42 167 A D T 3 S- 0 0 12 81,-3.1 81,-0.3 1,-0.3 -1,-0.1 -0.522 84.9 -13.5 -75.6 133.1 10.4 39.1 37.6 43 168 A R T 3> S+ 0 0 144 -2,-0.3 4,-1.1 1,-0.1 -1,-0.3 0.852 81.6 157.7 45.9 46.3 13.6 41.2 38.1 44 169 A F H <> + 0 0 11 -3,-0.9 4,-2.1 1,-0.2 3,-0.3 0.872 65.0 61.5 -70.0 -36.8 13.5 40.3 41.8 45 170 A K H > S+ 0 0 145 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.939 103.7 52.7 -52.8 -44.2 17.3 41.0 42.3 46 171 A L H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.832 104.0 55.5 -60.9 -36.9 16.5 44.6 41.2 47 172 A V H X S+ 0 0 18 -4,-1.1 4,-2.8 -3,-0.3 5,-0.4 0.939 111.3 44.2 -60.3 -47.9 13.7 44.8 43.8 48 173 A N H X S+ 0 0 18 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.897 113.6 49.9 -62.9 -42.7 16.2 43.9 46.6 49 174 A D H < S+ 0 0 105 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.888 118.7 39.6 -64.3 -38.5 18.9 46.2 45.2 50 175 A T H < S+ 0 0 89 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.950 132.0 19.8 -74.9 -53.5 16.4 49.1 45.0 51 176 A Y H < S- 0 0 115 -4,-2.8 4,-0.3 -5,-0.2 -3,-0.2 0.574 108.1-110.3 -99.8 -13.0 14.4 48.7 48.2 52 177 A G X - 0 0 32 -4,-1.9 4,-1.7 -5,-0.4 3,-0.5 -0.058 35.1 -78.8 93.2 160.1 16.7 46.5 50.4 53 178 A H H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.719 123.4 64.9 -72.0 -23.2 16.3 42.9 51.5 54 179 A L H > S+ 0 0 136 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 107.6 42.9 -63.5 -41.5 13.8 43.7 54.2 55 180 A I H > S+ 0 0 24 -3,-0.5 4,-2.5 -4,-0.3 -2,-0.2 0.873 109.7 57.0 -72.2 -39.5 11.3 44.9 51.6 56 181 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.880 104.3 53.6 -52.8 -40.2 12.3 41.9 49.4 57 182 A D H X S+ 0 0 50 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.879 106.6 51.6 -64.7 -38.5 11.2 39.7 52.3 58 183 A V H X S+ 0 0 30 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.931 108.4 51.4 -62.6 -45.9 7.8 41.5 52.4 59 184 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.950 112.8 45.4 -55.5 -50.2 7.4 40.8 48.7 60 185 A L H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.932 115.2 46.2 -61.1 -47.1 8.2 37.0 49.2 61 186 A R H X S+ 0 0 108 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.909 116.5 44.9 -61.3 -43.9 5.9 36.7 52.3 62 187 A T H X S+ 0 0 30 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.910 111.9 50.4 -70.0 -43.6 3.0 38.6 50.6 63 188 A L H X S+ 0 0 1 -4,-2.8 4,-3.0 -5,-0.3 5,-0.2 0.912 109.7 52.5 -60.9 -40.5 3.3 36.7 47.3 64 189 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.925 111.4 46.0 -59.3 -47.2 3.3 33.4 49.2 65 190 A T H X S+ 0 0 91 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.899 113.2 50.5 -61.6 -43.4 0.1 34.5 51.0 66 191 A Y H X S+ 0 0 54 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.937 110.9 47.5 -59.4 -51.5 -1.4 35.7 47.7 67 192 A L H >< S+ 0 0 0 -4,-3.0 3,-0.8 1,-0.2 4,-0.3 0.905 110.6 52.2 -60.6 -41.4 -0.7 32.4 45.9 68 193 A A H >< S+ 0 0 52 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.887 111.3 47.5 -60.7 -38.9 -2.1 30.4 48.7 69 194 A S H 3< S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.603 111.8 51.3 -77.1 -14.5 -5.3 32.4 48.6 70 195 A W T << S+ 0 0 39 -4,-0.9 2,-0.3 -3,-0.8 -1,-0.2 0.259 100.1 74.2-107.6 7.3 -5.5 32.0 44.8 71 196 A T S < S- 0 0 26 -3,-0.8 6,-0.1 -4,-0.3 2,-0.0 -0.906 84.1-105.4-122.7 151.9 -5.1 28.3 44.5 72 197 A R > - 0 0 154 -2,-0.3 3,-1.6 1,-0.1 -2,-0.1 -0.339 37.6-111.1 -67.9 154.5 -7.5 25.3 45.3 73 198 A D T 3 S+ 0 0 166 1,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.789 114.8 52.3 -63.8 -29.9 -6.7 23.4 48.5 74 199 A Y T 3 S+ 0 0 122 1,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.375 95.8 77.3 -86.7 3.7 -5.5 20.2 46.8 75 200 A E S < S- 0 0 13 -3,-1.6 2,-0.1 14,-0.1 14,-0.1 -0.900 80.7-148.2-117.9 98.1 -3.1 22.1 44.7 76 201 A T - 0 0 49 -2,-0.6 12,-1.9 12,-0.2 2,-0.5 -0.443 5.2-146.4 -79.4 137.9 -0.1 22.9 46.9 77 202 A V E - D 0 87A 9 10,-0.2 2,-0.4 -2,-0.1 10,-0.2 -0.906 21.4-172.4 -98.0 126.9 2.0 26.0 46.6 78 203 A Y E - D 0 86A 5 8,-3.0 8,-2.3 -2,-0.5 2,-0.9 -0.926 29.8-132.5-116.3 145.0 5.7 25.5 47.5 79 204 A R E +aD 14 85A 40 -66,-2.1 -64,-0.6 -2,-0.4 6,-0.2 -0.877 34.8 173.4 -87.8 105.2 8.6 27.9 47.9 80 205 A Y - 0 0 20 4,-1.4 2,-0.2 -2,-0.9 5,-0.2 0.817 56.7 -6.4 -88.8 -33.0 11.0 25.9 45.7 81 206 A G S S- 0 0 20 3,-2.0 3,-0.4 -3,-0.1 -1,-0.1 -0.823 90.3 -69.6-147.5-171.4 13.9 28.4 45.6 82 207 A G S S+ 0 0 50 1,-0.3 -22,-0.0 -2,-0.2 -1,-0.0 0.871 131.2 5.9 -55.3 -44.4 14.9 31.9 46.6 83 208 A E S S+ 0 0 64 -42,-0.0 -42,-2.0 2,-0.0 2,-0.4 0.138 116.4 97.5-122.6 17.2 12.7 33.7 44.0 84 209 A E E -B 40 0A 33 -3,-0.4 -3,-2.0 -44,-0.2 -4,-1.4 -0.922 44.9-174.8-123.9 132.9 10.8 30.6 42.8 85 210 A F E -BD 39 79A 0 -46,-2.9 -46,-2.8 -2,-0.4 2,-0.4 -0.871 9.3-154.5-119.3 152.7 7.5 29.0 43.6 86 211 A I E -BD 38 78A 0 -8,-2.3 -8,-3.0 -2,-0.3 2,-0.5 -0.996 4.4-168.2-127.2 135.0 5.9 25.8 42.4 87 212 A I E -BD 37 77A 3 -50,-2.4 -50,-2.5 -2,-0.4 2,-0.7 -0.989 13.7-147.2-118.9 127.3 2.2 24.9 42.2 88 213 A I E -B 36 0A 3 -12,-1.9 2,-0.4 -2,-0.5 -52,-0.2 -0.859 22.1-169.8 -96.2 114.7 1.1 21.3 41.5 89 214 A V E -B 35 0A 8 -54,-2.7 -54,-3.3 -2,-0.7 2,-0.5 -0.863 15.1-158.8-110.1 136.7 -2.1 21.3 39.5 90 215 A K E +B 34 0A 64 -2,-0.4 2,-0.3 -56,-0.2 -56,-0.2 -0.978 29.9 154.6-112.8 129.8 -4.4 18.4 38.7 91 216 A A E -B 33 0A 6 -58,-2.5 -58,-2.6 -2,-0.5 3,-0.1 -0.963 52.6-117.1-152.8 162.1 -6.6 18.9 35.7 92 217 A A S S- 0 0 55 -2,-0.3 2,-0.3 -60,-0.2 -58,-0.1 0.764 92.5 -5.1 -76.3 -25.7 -8.5 17.1 32.9 93 218 A N S > S- 0 0 55 -60,-0.1 4,-1.6 1,-0.0 3,-0.3 -0.948 77.8 -89.8-162.0 172.4 -6.5 18.5 30.1 94 219 A D H > S+ 0 0 44 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.828 117.5 59.0 -64.6 -33.6 -3.7 21.0 29.1 95 220 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 105.6 48.6 -65.5 -40.3 -6.1 23.9 28.5 96 221 A E H > S+ 0 0 99 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.907 112.0 48.5 -65.4 -43.5 -7.4 23.7 32.1 97 222 A A H X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.912 112.8 48.7 -63.0 -42.7 -3.8 23.6 33.5 98 223 A C H X S+ 0 0 11 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.838 106.7 55.9 -67.4 -35.0 -2.8 26.5 31.3 99 224 A R H X S+ 0 0 167 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.910 107.5 50.0 -61.6 -42.9 -5.9 28.5 32.4 100 225 A A H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.933 112.7 48.0 -57.7 -47.3 -4.8 28.1 36.1 101 226 A G H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.950 113.5 44.0 -61.3 -50.8 -1.3 29.3 35.1 102 227 A V H X S+ 0 0 15 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.893 111.5 53.2 -68.2 -36.0 -2.3 32.4 33.2 103 228 A R H X S+ 0 0 87 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.897 109.2 50.2 -65.7 -36.3 -5.0 33.5 35.7 104 229 A I H X S+ 0 0 3 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.935 110.0 50.0 -67.1 -43.7 -2.3 33.3 38.5 105 230 A C H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 19,-0.3 0.929 111.6 49.3 -56.9 -45.6 0.1 35.4 36.4 106 231 A Q H X S+ 0 0 112 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.898 109.2 51.6 -61.0 -44.0 -2.7 38.0 35.8 107 232 A L H X S+ 0 0 46 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.916 107.7 52.1 -59.1 -44.9 -3.6 38.1 39.6 108 233 A V H >< S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.2 14,-0.4 0.936 110.1 49.4 -56.2 -45.8 0.1 38.8 40.5 109 234 A D H 3< S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 112.5 48.7 -64.7 -29.2 0.2 41.7 38.0 110 235 A N H 3< S+ 0 0 116 -4,-1.5 2,-0.5 -3,-0.2 -1,-0.2 0.374 100.5 68.0 -98.1 3.3 -3.1 43.1 39.4 111 236 A H S << S- 0 0 81 -3,-1.1 11,-0.2 -4,-0.6 -1,-0.1 -0.893 70.7-150.8-130.4 103.3 -2.3 43.1 43.1 112 237 A A - 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