==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUL-08 3DPD . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.A.CESKA . 846 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 62 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 3 3 2 2 2 1 2 3 2 1 2 1 2 2 0 0 1 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 4 3 1 2 3 2 1 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 1 1 3 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 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 1 143 A M 0 0 126 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 66.8 32.5 19.3 1.9 2 144 A S >> - 0 0 54 1,-0.1 4,-1.5 3,-0.1 3,-0.7 -0.239 360.0-112.1 -65.2 152.0 29.0 19.3 0.5 3 145 A E H 3> S+ 0 0 155 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.827 123.1 55.5 -52.3 -31.6 27.7 22.1 -1.8 4 146 A E H >> S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.876 104.3 49.9 -69.3 -40.2 25.5 22.9 1.2 5 147 A S H <> S+ 0 0 40 -3,-0.7 4,-1.0 1,-0.2 -1,-0.2 0.707 106.7 58.3 -72.8 -18.4 28.4 23.2 3.6 6 148 A Q H 3< S+ 0 0 122 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.661 105.6 47.8 -83.5 -19.0 30.1 25.6 1.1 7 149 A A H X S+ 0 0 76 -4,-1.7 3,-3.2 -3,-0.3 4,-1.5 0.983 108.2 50.4 -71.4 -61.5 26.7 32.9 5.1 12 154 A L H 3X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.3 3,-0.3 0.893 102.8 62.8 -44.1 -47.6 28.8 33.1 8.2 13 155 A T H 3X>S+ 0 0 32 -4,-2.1 4,-2.0 1,-0.3 5,-0.6 0.765 105.7 47.8 -51.9 -24.3 31.2 35.4 6.4 14 156 A A H <45S+ 0 0 58 -3,-3.2 -1,-0.3 -4,-0.3 -2,-0.2 0.839 108.6 50.2 -85.3 -38.4 28.2 37.8 6.1 15 157 A L H <5S+ 0 0 3 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.619 121.0 39.2 -73.2 -12.5 27.2 37.5 9.8 16 158 A I H <5S- 0 0 1 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.769 95.6-137.2-104.1 -43.0 30.8 38.3 10.6 17 159 A G T <5S+ 0 0 49 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.637 79.6 71.0 89.4 15.8 31.8 40.9 8.0 18 160 A Y S - 0 0 58 -2,-0.3 3,-0.8 1,-0.1 -9,-0.1 -0.769 14.4-161.4 -91.3 107.2 36.0 36.0 5.5 20 162 A V T 3 S+ 0 0 11 -2,-0.8 -1,-0.1 1,-0.3 15,-0.1 0.120 85.5 66.9 -72.3 20.7 37.9 33.7 7.9 21 163 A T T 3 + 0 0 69 -12,-0.1 2,-0.6 1,-0.1 -1,-0.3 -0.163 66.7 111.4-132.2 38.3 39.1 31.7 4.8 22 164 A D X + 0 0 70 -3,-0.8 2,-2.5 1,-0.1 3,-1.1 -0.667 37.5 178.0-114.1 75.7 41.3 34.4 3.3 23 165 A V T 3 + 0 0 117 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 -0.044 55.1 103.9 -69.9 41.7 44.8 33.1 3.7 24 166 A S T 3 S+ 0 0 74 -2,-2.5 -1,-0.3 1,-0.2 -2,-0.0 0.689 81.0 39.7 -94.2 -22.8 46.0 36.2 1.8 25 167 A N S < S+ 0 0 2 -3,-1.1 263,-0.4 266,-0.0 2,-0.3 -0.374 96.9 93.6-123.6 52.4 47.3 38.1 4.9 26 168 A V - 0 0 51 -3,-0.3 3,-0.1 261,-0.1 261,-0.0 -0.987 48.3-165.5-142.1 150.3 49.0 35.4 6.9 27 169 A H S S+ 0 0 61 -2,-0.3 2,-0.3 242,-0.0 -1,-0.0 0.170 81.5 10.3-118.3 13.9 52.5 34.0 7.2 28 170 A D S S- 0 0 45 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.950 83.3 -92.9-170.9-177.2 51.4 30.9 9.1 29 171 A D S > S+ 0 0 55 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.272 74.5 117.3-109.8 45.4 48.5 28.8 10.1 30 172 A E H > S+ 0 0 4 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.933 80.3 46.1 -74.7 -47.6 47.7 30.1 13.6 31 173 A L H > S+ 0 0 24 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 117.0 44.9 -57.6 -50.4 44.2 31.4 12.7 32 174 A E H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 112.6 50.8 -61.6 -42.3 43.5 28.1 11.0 33 175 A F H X S+ 0 0 61 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.893 111.2 51.2 -62.6 -35.7 45.0 26.2 13.9 34 176 A T H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.888 107.1 49.8 -69.8 -41.9 42.7 28.3 16.2 35 177 A R H X S+ 0 0 32 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.937 113.6 48.2 -62.4 -42.8 39.5 27.6 14.2 36 178 A R H < S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 112.6 50.1 -66.0 -29.8 40.5 23.9 14.4 37 179 A G H >< S+ 0 0 17 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.842 104.8 54.5 -78.5 -33.3 41.1 24.3 18.1 38 180 A L H 3X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.609 84.9 87.2 -76.8 -9.4 37.9 26.0 19.0 39 181 A V H 3X S+ 0 0 34 -4,-0.7 4,-1.4 -3,-0.2 -1,-0.2 0.767 90.9 46.5 -60.3 -25.9 35.9 23.2 17.4 40 182 A T H <> S+ 0 0 94 -3,-1.0 4,-3.1 -4,-0.2 5,-0.2 0.915 109.7 47.5 -85.6 -47.7 36.0 21.3 20.7 41 183 A P H > S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.903 115.5 50.0 -60.2 -37.4 35.0 24.0 23.3 42 184 A R H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 3,-0.4 0.992 115.4 38.7 -61.9 -64.3 32.2 24.9 21.0 43 185 A M H X S+ 0 0 74 -4,-1.4 4,-3.1 1,-0.2 -1,-0.2 0.883 114.4 56.8 -55.6 -41.3 30.7 21.5 20.5 44 186 A A H < S+ 0 0 58 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.908 113.5 38.3 -58.6 -42.8 31.5 20.6 24.1 45 187 A E H >X S+ 0 0 17 -4,-2.0 3,-1.1 -3,-0.4 4,-0.8 0.819 115.6 54.4 -77.8 -31.6 29.4 23.5 25.4 46 188 A V H >< S+ 0 0 30 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.962 112.0 42.4 -63.7 -54.2 26.8 23.1 22.7 47 189 A A T 3< S+ 0 0 94 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.1 -0.020 115.8 53.4 -84.4 33.3 26.2 19.4 23.6 48 190 A S T <4 S+ 0 0 90 -3,-1.1 2,-0.3 -2,-0.1 -1,-0.2 0.418 82.8 95.8-141.2 -11.7 26.3 20.3 27.3 49 191 A R S << S- 0 0 29 -3,-0.8 408,-0.0 -4,-0.8 3,-0.0 -0.695 82.1-108.8 -90.7 139.3 23.7 23.0 27.7 50 192 A D > - 0 0 74 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 -0.525 25.5-147.4 -64.7 113.1 20.1 22.3 28.8 51 193 A P H > S+ 0 0 69 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.813 91.8 52.5 -54.4 -33.7 18.1 22.9 25.7 52 194 A K H > S+ 0 0 134 2,-0.2 4,-1.3 1,-0.1 5,-0.2 0.981 113.1 37.9 -70.1 -58.6 15.1 24.1 27.7 53 195 A L H >> S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.920 116.0 54.6 -58.9 -44.8 16.6 26.8 29.9 54 196 A Y H 3< S+ 0 0 10 -4,-2.3 405,-0.3 1,-0.2 -1,-0.2 0.877 103.4 57.5 -56.9 -36.8 18.9 27.9 27.0 55 197 A A H 3< S+ 0 0 8 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.861 116.7 32.6 -62.9 -36.4 15.8 28.4 24.9 56 198 A M H << S- 0 0 15 -4,-1.3 67,-0.8 -3,-0.6 -1,-0.2 0.544 91.2-151.6 -98.2 -8.9 14.3 30.8 27.4 57 199 A H < - 0 0 31 -4,-1.9 -3,-0.1 -5,-0.2 -4,-0.1 0.846 15.8-149.1 38.0 56.3 17.6 32.3 28.5 58 200 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 402,-0.1 -0.131 3.1-143.3 -49.1 149.3 16.3 33.3 32.0 59 201 A W + 0 0 53 64,-0.3 75,-2.1 -3,-0.1 76,-0.5 -0.876 37.3 143.5-125.3 98.8 18.0 36.4 33.4 60 202 A V B -A 133 0A 44 -2,-0.5 364,-0.4 73,-0.2 2,-0.3 -0.759 32.8-147.2-129.5 175.3 18.7 36.3 37.1 61 203 A T - 0 0 6 71,-2.2 -2,-0.0 -2,-0.2 362,-0.0 -0.996 14.4-148.4-144.5 142.6 21.2 37.3 39.7 62 204 A S + 0 0 88 -2,-0.3 -1,-0.0 2,-0.1 70,-0.0 0.492 65.5 116.2 -87.9 -5.4 22.3 35.8 43.1 63 205 A K S S- 0 0 75 69,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.297 75.1-101.0 -64.6 149.9 23.0 39.3 44.5 64 206 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.401 44.2 -90.3 -71.8 146.1 20.9 40.4 47.5 65 207 A L - 0 0 22 -2,-0.1 6,-0.1 1,-0.1 67,-0.1 -0.378 54.2-112.1 -57.5 120.4 18.0 42.7 46.9 66 208 A P > - 0 0 4 0, 0.0 4,-3.3 0, 0.0 5,-0.4 0.060 24.5-105.6 -48.7 164.7 19.4 46.2 47.3 67 209 A E H > S+ 0 0 116 559,-0.3 4,-2.9 1,-0.2 -2,-0.1 0.962 120.3 46.8 -61.0 -53.6 18.4 48.4 50.3 68 210 A Y H 4 S+ 0 0 58 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.847 120.0 40.4 -58.4 -36.4 16.2 50.7 48.2 69 211 A L H > S+ 0 0 1 3,-0.1 4,-0.5 1,-0.1 3,-0.3 0.960 119.9 42.0 -76.9 -55.1 14.5 47.7 46.5 70 212 A W H >< S+ 0 0 115 -4,-3.3 2,-2.4 1,-0.3 3,-1.6 0.962 112.7 55.2 -54.8 -57.1 14.2 45.4 49.5 71 213 A K T 3< S+ 0 0 174 -4,-2.9 -1,-0.3 -5,-0.4 3,-0.1 -0.469 105.2 54.7 -78.6 69.1 13.1 48.2 51.8 72 214 A K T 34 S+ 0 0 124 -2,-2.4 -1,-0.2 -3,-0.3 -2,-0.2 0.238 76.0 109.0-170.0 -20.0 10.2 49.2 49.5 73 215 A I S << S- 0 0 24 -3,-1.6 2,-1.7 -4,-0.5 -1,-0.1 -0.480 85.2 -98.9 -74.4 142.9 8.2 46.0 49.1 74 216 A A S > S- 0 0 65 3,-0.3 3,-1.4 -2,-0.2 2,-0.6 -0.421 74.2 -71.9 -63.4 86.6 4.8 45.8 50.8 75 217 A N T 3 S- 0 0 155 -2,-1.7 -3,-0.2 1,-0.2 -2,-0.1 -0.468 106.4 -25.6 62.4-108.1 6.0 43.8 53.8 76 218 A N T 3 S+ 0 0 71 -2,-0.6 2,-0.3 18,-0.1 -1,-0.2 -0.195 123.3 73.9-130.2 38.9 6.7 40.3 52.4 77 219 A C < - 0 0 40 -3,-1.4 -3,-0.3 17,-0.2 17,-0.3 -0.963 50.1-179.0-156.3 136.5 4.4 40.3 49.4 78 220 A I E -B 93 0B 15 15,-3.9 15,-2.8 -2,-0.3 2,-0.4 -0.572 23.7-113.1-121.8-173.7 4.3 41.9 45.9 79 221 A F E -B 92 0B 99 13,-0.2 67,-0.5 -2,-0.2 2,-0.4 -0.987 19.4-177.5-134.2 134.8 2.0 41.9 42.9 80 222 A I - 0 0 8 11,-1.0 2,-0.5 -2,-0.4 11,-0.3 -0.890 23.1-141.2-132.1 101.9 2.4 40.5 39.4 81 223 A V - 0 0 16 -2,-0.4 67,-1.2 9,-0.2 2,-0.3 -0.471 21.4-151.6 -63.7 112.0 -0.5 41.2 37.0 82 224 A I E -Cd 89 148C 7 7,-2.1 7,-0.9 -2,-0.5 2,-0.2 -0.656 12.6-164.7 -89.5 144.9 -0.9 38.1 34.9 83 225 A H E +Cd 88 149C 31 65,-2.6 67,-1.3 -2,-0.3 5,-0.2 -0.736 20.6 150.5-123.0 171.1 -2.3 38.2 31.4 84 226 A R S S- 0 0 129 3,-0.9 -1,-0.0 -2,-0.2 67,-0.0 -0.483 73.2 -13.7-160.7-125.6 -3.8 35.9 28.8 85 227 A S S S- 0 0 100 -2,-0.2 3,-0.0 1,-0.1 -2,-0.0 0.994 124.0 -52.8 -56.1 -70.9 -6.3 36.4 26.0 86 228 A T S S+ 0 0 119 -3,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.332 115.7 101.1-144.7 -18.0 -7.5 39.8 27.3 87 229 A T + 0 0 89 -4,-0.1 -3,-0.9 2,-0.0 2,-0.3 -0.197 45.8 174.3 -70.2 165.4 -8.3 38.8 30.9 88 230 A S E -C 83 0C 57 -5,-0.2 2,-0.3 -4,-0.0 -5,-0.2 -0.861 13.7-172.2-176.2 137.7 -6.0 39.6 33.7 89 231 A Q E -C 82 0C 123 -7,-0.9 -7,-2.1 -2,-0.3 2,-0.3 -0.989 23.1-125.7-137.7 145.2 -5.9 39.3 37.6 90 232 A T - 0 0 70 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.717 25.9-158.8 -91.5 140.2 -3.4 40.6 40.2 91 233 A I - 0 0 25 -2,-0.3 -11,-1.0 -11,-0.3 2,-0.8 -0.934 19.0-127.0-123.3 145.5 -1.9 38.1 42.6 92 234 A K E +B 79 0B 140 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.800 39.0 172.9 -88.8 110.2 -0.2 38.6 46.1 93 235 A V E -B 78 0B 7 -15,-2.8 -15,-3.9 -2,-0.8 -2,-0.0 -0.980 28.9-126.6-127.3 127.2 3.1 36.9 45.9 94 236 A S > - 0 0 23 -2,-0.4 3,-0.8 -17,-0.3 -17,-0.2 -0.204 25.1-117.3 -62.8 159.1 5.9 36.9 48.5 95 237 A P T 3 S+ 0 0 1 0, 0.0 36,-1.4 0, 0.0 37,-0.2 0.872 112.5 54.2 -67.4 -39.6 9.4 38.0 47.4 96 238 A D T 3 S+ 0 0 94 -20,-0.2 -2,-0.1 34,-0.1 -19,-0.0 0.493 89.0 111.3 -75.9 -0.9 11.1 34.7 48.2 97 239 A D < - 0 0 46 -3,-0.8 33,-2.5 32,-0.2 34,-0.4 0.178 58.8-136.2 -59.3-173.3 8.6 32.9 46.0 98 240 A T > - 0 0 40 31,-0.3 4,-2.7 32,-0.1 29,-0.1 -0.961 23.5-110.5-146.5 160.8 9.4 31.3 42.7 99 241 A P T 4 S+ 0 0 7 0, 0.0 5,-0.3 0, 0.0 28,-0.1 0.857 123.4 49.5 -60.7 -32.6 8.1 31.0 39.1 100 242 A G T > S+ 0 0 35 26,-0.3 4,-0.8 1,-0.2 5,-0.4 0.908 107.9 52.3 -71.0 -42.9 7.3 27.4 39.9 101 243 A A H > S+ 0 0 30 3,-0.1 4,-1.8 2,-0.1 5,-0.2 0.944 113.8 49.0 -56.5 -50.5 5.6 28.3 43.2 102 244 A I H < S+ 0 0 10 -4,-2.7 2,-3.2 2,-0.2 3,-0.1 -0.234 108.6 34.0 -79.4 176.9 3.4 30.8 41.3 103 245 A L H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.1 -1,-0.2 -0.145 121.6 53.6 69.7 -48.3 1.6 29.7 38.1 104 246 A Q H X S+ 0 0 122 -2,-3.2 4,-1.0 -4,-0.8 -1,-0.2 0.970 115.4 34.4 -77.8 -61.8 1.3 26.2 39.7 105 247 A S H < S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.2 0.619 123.4 52.8 -67.3 -10.1 -0.4 27.3 43.0 106 248 A F H 4 S+ 0 0 20 -5,-0.2 3,-0.3 1,-0.1 -1,-0.2 0.812 95.4 64.0 -90.3 -39.1 -1.9 29.9 40.7 107 249 A F H < S+ 0 0 87 -4,-1.8 2,-0.9 1,-0.3 3,-0.5 0.781 97.8 62.0 -55.3 -27.9 -3.3 27.3 38.1 108 250 A T S < S+ 0 0 109 -4,-1.0 -1,-0.3 1,-0.2 -4,-0.1 -0.568 92.0 63.8-100.4 67.0 -5.5 26.1 41.0 109 251 A K 0 0 153 -2,-0.9 -1,-0.2 -3,-0.3 -2,-0.1 0.182 360.0 360.0-172.5 24.2 -7.5 29.2 41.6 110 252 A M 0 0 168 -3,-0.5 -2,-0.1 0, 0.0 -3,-0.1 0.090 360.0 360.0-154.2 360.0 -9.5 29.9 38.4 111 ! 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 0.0 112 269 A D 0 0 176 0, 0.0 2,-0.3 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0 -2.9 2.5 23.1 31.8 113 270 A F - 0 0 70 39,-0.1 2,-0.3 -10,-0.0 39,-0.2 -0.908 360.0-139.7-128.2 156.7 2.8 26.8 30.8 114 271 A V E -E 151 0C 3 37,-2.5 37,-1.1 -2,-0.3 2,-0.6 -0.797 16.3-118.8-117.3 158.8 5.5 29.4 31.2 115 272 A L E -E 150 0C 6 9,-0.4 9,-2.8 -2,-0.3 2,-0.4 -0.854 31.0-180.0-100.8 119.8 5.5 33.1 32.2 116 273 A R E -EF 149 123C 24 33,-2.1 33,-2.3 -2,-0.6 7,-0.3 -0.927 31.6-112.0-119.1 144.4 6.8 35.6 29.6 117 274 A V E > -E 148 0C 4 5,-3.0 3,-1.5 -2,-0.4 5,-0.4 -0.525 42.3-104.2 -73.3 136.2 7.1 39.4 30.0 118 275 A C T 3 S+ 0 0 15 29,-1.1 474,-0.1 1,-0.3 -1,-0.1 -0.334 101.1 7.8 -63.0 135.1 4.7 41.3 27.8 119 276 A G T 3 S+ 0 0 3 1,-0.2 443,-0.7 473,-0.1 470,-0.3 0.301 120.2 81.8 79.6 -11.7 6.3 42.9 24.7 120 277 A R B < S-G 561 0D 42 -3,-1.5 -1,-0.2 441,-0.1 2,-0.2 -0.678 80.8-123.4-122.1 174.5 9.6 41.2 25.5 121 278 A D S S+ 0 0 13 439,-1.3 2,-0.5 -2,-0.2 -3,-0.1 -0.498 71.0 121.0-111.0 55.5 11.4 37.9 25.0 122 279 A E - 0 0 10 -5,-0.4 -5,-3.0 -2,-0.2 2,-0.4 -0.945 42.1-169.2-125.4 107.8 12.0 37.5 28.7 123 280 A Y B -F 116 0C 27 -67,-0.8 2,-1.4 -2,-0.5 -64,-0.3 -0.832 19.3-140.0 -99.9 133.4 10.6 34.4 30.4 124 281 A L + 0 0 13 -9,-2.8 -9,-0.4 -2,-0.4 2,-0.2 -0.666 54.9 129.1 -91.5 84.2 10.5 34.0 34.2 125 282 A V + 0 0 29 -2,-1.4 -66,-0.1 -11,-0.1 -11,-0.0 -0.707 20.6 70.0-127.5 179.1 11.5 30.4 34.5 126 283 A G S S- 0 0 20 -2,-0.2 2,-2.2 1,-0.1 -26,-0.3 0.178 89.9 -66.4 90.3 151.3 13.9 28.2 36.4 127 284 A E S S+ 0 0 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356 586 A P G >4 S+ 0 0 26 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.875 91.8 65.0 -46.8 -40.8 46.2 37.7 46.0 357 587 A K G 34 S+ 0 0 123 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.584 96.1 59.6 -61.6 -6.7 46.6 41.4 45.8 358 588 A A G <> S+ 0 0 0 -3,-3.4 4,-3.3 -6,-0.3 -1,-0.3 0.660 79.4 86.8 -95.1 -18.0 50.4 40.9 45.2 359 589 A Y H < S+ 0 0 1 -4,-3.3 3,-1.6 1,-0.2 -1,-0.2 0.940 107.4 46.1 -68.6 -49.4 54.7 39.9 41.8 363 593 A F T 3< S+ 0 0 1 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.446 106.4 62.4 -74.8 -0.1 54.6 38.5 38.2 364 594 A S T 3 S+ 0 0 34 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.405 94.3 61.4 -99.6 -6.4 55.9 41.8 36.9 365 595 A S S < S+ 0 0 11 -3,-1.6 2,-0.3 -4,-0.2 -2,-0.2 0.307 83.5 110.7 -99.6 4.7 59.1 41.4 38.9 366 596 A V - 0 0 4 -3,-0.1 2,-1.3 1,-0.1 3,-0.1 -0.619 69.2-136.1 -84.7 138.5 59.8 38.2 37.0 367 597 A K > + 0 0 131 -2,-0.3 3,-1.5 1,-0.2 7,-0.4 -0.715 25.0 178.3 -92.1 85.7 62.7 38.2 34.5 368 598 A W T 3 S+ 0 0 9 -2,-1.3 -1,-0.2 1,-0.3 -131,-0.1 0.649 71.5 75.8 -65.8 -11.5 61.0 36.5 31.6 369 599 A G T 3 S+ 0 0 19 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.296 88.8 69.0 -80.7 11.3 64.2 36.9 29.6 370 600 A Q <> - 0 0 71 -3,-1.5 4,-2.6 1,-0.1 5,-0.2 -0.955 67.3-156.7-134.0 117.4 65.7 34.0 31.7 371 601 A Q H > S+ 0 0 39 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.909 94.5 55.5 -58.1 -46.8 64.5 30.4 31.3 372 602 A E H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 112.6 45.1 -52.6 -44.1 65.6 29.3 34.8 373 603 A I H > S+ 0 0 22 2,-0.2 4,-2.8 -3,-0.2 3,-0.2 0.974 112.5 48.3 -65.3 -54.4 63.6 32.2 36.3 374 604 A V H X S+ 0 0 4 -4,-2.6 4,-2.6 -7,-0.4 5,-0.2 0.916 110.6 52.7 -52.7 -46.0 60.5 31.6 34.2 375 605 A A H X S+ 0 0 18 -4,-3.2 4,-0.9 1,-0.2 -1,-0.3 0.892 108.7 50.1 -56.7 -40.9 60.6 27.9 35.0 376 606 A K H >X S+ 0 0 82 -4,-1.7 4,-1.7 -5,-0.3 3,-0.9 0.925 107.2 54.9 -63.9 -41.6 60.8 28.9 38.7 377 607 A T H 3X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.3 3,-0.4 0.923 104.2 52.9 -56.0 -46.3 57.8 31.1 38.1 378 608 A Y H 3X S+ 0 0 35 -4,-2.6 4,-0.8 1,-0.3 -1,-0.3 0.747 104.5 58.7 -62.5 -20.9 55.9 28.1 36.8 379 609 A Q H << S+ 0 0 118 -4,-0.9 4,-0.5 -3,-0.9 3,-0.4 0.896 102.3 52.2 -72.7 -40.9 56.9 26.4 40.0 380 610 A L H >< S+ 0 0 11 -4,-1.7 3,-0.9 -3,-0.4 -2,-0.2 0.859 107.9 51.0 -62.0 -38.0 55.1 29.1 42.0 381 611 A L H 3< S+ 0 0 13 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.725 92.0 77.9 -72.7 -22.2 51.9 28.6 40.0 382 612 A A T 3< S+ 0 0 75 -4,-0.8 2,-0.4 -3,-0.4 -1,-0.2 0.768 105.0 32.0 -57.7 -27.7 52.1 24.9 40.6 383 613 A R < + 0 0 175 -3,-0.9 -1,-0.3 -4,-0.5 3,-0.1 -0.861 66.1 141.6-139.1 104.0 50.7 25.6 44.1 384 614 A R > + 0 0 54 -2,-0.4 4,-2.7 -3,-0.3 5,-0.2 -0.391 5.8 149.1-138.5 58.9 48.4 28.5 44.8 385 615 A E H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.831 76.9 57.6 -60.5 -31.2 45.8 27.4 47.3 386 616 A V H > S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.959 113.1 34.8 -64.3 -55.4 45.6 31.0 48.5 387 617 A W H 4 S+ 0 0 3 -34,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.874 118.1 55.2 -67.0 -38.9 44.7 32.6 45.2 388 618 A D H < S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 117.8 33.5 -64.3 -34.1 42.6 29.6 44.2 389 619 A Q H < S+ 0 0 162 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.647 94.5 103.5 -97.5 -17.9 40.5 29.8 47.4 390 620 A S S < S- 0 0 35 -4,-1.8 3,-0.1 -5,-0.2 2,-0.1 -0.287 86.6 -91.2 -63.3 151.1 40.5 33.6 47.8 391 621 A A - 0 0 92 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.402 52.8 -90.0 -67.4 140.2 37.2 35.3 46.8 392 622 A L - 0 0 50 25,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.154 40.3-170.4 -49.7 134.4 37.0 36.5 43.2 393 623 A D >> - 0 0 73 1,-0.1 4,-3.6 -3,-0.1 3,-1.1 -0.860 9.1-168.8-134.5 98.2 38.3 40.0 42.5 394 624 A V H 3> S+ 0 0 17 -2,-0.4 4,-4.3 1,-0.3 5,-0.3 0.899 90.0 54.8 -51.7 -46.8 37.5 41.3 39.1 395 625 A G H 3> S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.794 115.9 39.8 -60.1 -25.8 39.8 44.3 39.5 396 626 A L H <> S+ 0 0 9 -3,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.880 115.9 50.0 -87.1 -43.9 42.5 41.9 40.4 397 627 A T H < S+ 0 0 1 -4,-3.6 3,-0.4 1,-0.2 4,-0.3 0.908 108.4 54.4 -58.9 -45.1 41.6 39.3 37.8 398 628 A M H >< S+ 0 0 0 -4,-4.3 3,-2.0 1,-0.2 4,-0.2 0.884 99.6 61.0 -59.0 -41.4 41.5 42.0 35.1 399 629 A Q H >< S+ 0 0 21 -4,-0.8 3,-1.5 -5,-0.3 5,-0.3 0.892 99.2 54.9 -54.7 -42.0 45.0 43.2 35.8 400 630 A L T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.577 104.9 57.9 -71.2 -4.6 46.4 39.8 34.9 401 631 A L T < S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.3 38,-0.2 0.347 88.9 93.3-105.6 6.4 44.6 40.1 31.6 402 632 A D S X S- 0 0 6 -3,-1.5 3,-1.3 -4,-0.2 -3,-0.0 -0.088 97.1 -78.4 -89.2-167.5 46.2 43.4 30.3 403 633 A C T 3 S+ 0 0 7 1,-0.3 3,-0.2 3,-0.1 -1,-0.1 0.517 117.3 75.6 -67.2 -6.4 49.2 44.2 28.1 404 634 A N T 3 S+ 0 0 87 -5,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.379 90.0 55.6 -89.5 5.1 51.5 43.6 31.1 405 635 A F < + 0 0 11 -3,-1.3 -1,-0.2 34,-0.1 6,-0.1 -0.680 46.7 166.2-142.7 87.9 51.3 39.8 31.0 406 636 A S + 0 0 9 -2,-0.2 2,-0.5 -3,-0.2 -206,-0.1 0.398 52.4 103.9 -79.7 3.7 52.2 37.9 27.9 407 637 A D > - 0 0 1 1,-0.2 4,-2.5 -208,-0.1 5,-0.2 -0.771 59.1-156.2 -93.2 127.6 52.4 34.6 29.7 408 638 A E H > S+ 0 0 69 -2,-0.5 4,-2.8 -173,-0.4 -1,-0.2 0.821 93.4 57.0 -69.4 -32.8 49.5 32.3 29.2 409 639 A N H > S+ 0 0 69 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.953 111.8 41.9 -64.9 -45.8 50.1 30.4 32.5 410 640 A V H >> S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.953 118.0 46.2 -63.2 -50.0 49.8 33.7 34.4 411 641 A R H >X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.3 3,-1.5 0.870 103.6 63.6 -60.6 -40.0 46.8 34.9 32.4 412 642 A A H 3X S+ 0 0 39 -4,-2.8 4,-1.3 1,-0.3 -1,-0.3 0.738 93.7 62.2 -61.0 -20.3 45.1 31.6 32.7 413 643 A I H < S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.881 88.5 73.0 -59.1 -42.2 36.4 34.5 36.0 419 649 A E T 3< S+ 0 0 77 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 88.8 62.4 -41.8 -38.7 34.8 31.1 35.7 420 650 A S T <4 S+ 0 0 85 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.883 81.1 104.4 -56.9 -43.0 33.2 31.7 39.1 421 651 A L S << S- 0 0 13 -3,-1.6 2,-0.1 -4,-0.5 -3,-0.0 -0.081 70.3-131.0 -46.4 129.2 31.2 34.7 37.8 422 652 A E >> - 0 0 45 1,-0.1 4,-1.8 4,-0.0 3,-0.9 -0.389 34.2 -96.0 -76.3 161.9 27.5 34.2 37.2 423 653 A D H 3> S+ 0 0 47 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.874 122.2 62.8 -45.1 -48.3 26.1 35.3 33.8 424 654 A D H 3> S+ 0 0 8 -364,-0.4 4,-1.1 1,-0.3 -1,-0.3 0.900 108.1 41.5 -44.6 -51.4 24.9 38.6 35.3 425 655 A D H <> S+ 0 0 23 -3,-0.9 4,-1.7 2,-0.2 -1,-0.3 0.823 107.4 60.7 -68.0 -36.0 28.5 39.6 36.0 426 656 A V H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.896 105.1 50.3 -60.6 -37.4 29.8 38.3 32.8 427 657 A L H < S+ 0 0 26 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.823 105.2 57.5 -67.9 -34.6 27.5 40.8 31.0 428 658 A H H < S+ 0 0 36 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.877 122.5 24.5 -63.7 -37.1 28.8 43.6 33.3 429 659 A Y H X S+ 0 0 24 -4,-1.7 4,-2.9 1,-0.1 5,-0.2 0.418 90.3 108.2-109.1 -0.6 32.4 43.0 32.1 430 660 A L H X S+ 0 0 2 -4,-1.3 4,-3.4 1,-0.2 5,-0.2 0.871 79.0 50.0 -43.9 -53.3 31.8 41.4 28.7 431 661 A L H > S+ 0 0 5 -4,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.945 113.8 42.7 -56.5 -52.6 33.0 44.4 26.7 432 662 A Q H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 115.6 51.4 -63.3 -37.5 36.3 44.9 28.5 433 663 A L H X S+ 0 0 1 -4,-2.9 4,-0.7 2,-0.2 -2,-0.2 0.983 110.1 47.8 -62.8 -54.1 36.9 41.1 28.6 434 664 A V H >< S+ 0 0 0 -4,-3.4 3,-2.2 1,-0.3 4,-0.3 0.958 113.5 49.0 -47.2 -55.0 36.3 40.9 24.8 435 665 A Q H >< S+ 0 0 8 -4,-3.1 3,-2.6 1,-0.3 4,-0.3 0.868 99.1 67.7 -54.5 -37.9 38.6 43.9 24.4 436 666 A A H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 -1,-0.3 0.630 81.1 77.6 -58.0 -14.9 41.2 42.1 26.7 437 667 A V G X< S+ 0 0 0 -3,-2.2 3,-1.3 -4,-0.7 -1,-0.3 0.777 80.6 70.1 -67.2 -22.0 41.6 39.6 23.9 438 668 A K G < S+ 0 0 3 -3,-2.6 -1,-0.2 -4,-0.3 -2,-0.2 0.781 95.3 52.1 -64.1 -27.1 43.7 42.2 22.2 439 669 A F G < S+ 0 0 13 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.469 83.8 108.8 -88.4 -4.4 46.4 41.7 24.8 440 670 A E < - 0 0 11 -3,-1.3 -34,-0.1 -4,-0.3 -37,-0.0 -0.579 63.2-148.4 -72.7 123.8 46.6 37.9 24.3 441 671 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 80.5 43.0 -69.6 -21.1 49.8 37.0 22.5 442 672 A Y S S- 0 0 12 1,-0.1 -2,-0.1 2,-0.1 -183,-0.0 -0.888 78.1-128.5-122.3 154.9 48.1 34.0 20.7 443 673 A H S S+ 0 0 14 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.961 99.7 57.3 -65.1 -51.5 44.7 33.7 19.0 444 674 A D S S+ 0 0 27 -414,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.724 79.5 153.2 -82.6 116.9 43.6 30.6 20.8 445 675 A S > - 0 0 13 -2,-0.7 4,-2.4 1,-0.1 5,-0.3 -0.977 60.4-107.8-144.0 158.6 43.7 31.5 24.5 446 676 A A H > S+ 0 0 46 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.885 122.2 49.6 -50.7 -38.0 42.0 30.6 27.8 447 677 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 106.8 52.3 -68.1 -44.6 40.2 33.9 27.6 448 678 A A H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.892 113.1 46.9 -59.5 -39.5 39.0 33.5 24.0 449 679 A R H X S+ 0 0 71 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.922 107.2 54.5 -71.9 -42.7 37.6 30.1 25.0 450 680 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.921 108.9 49.7 -55.0 -46.1 35.9 31.4 28.2 451 681 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.930 111.3 49.7 -59.2 -45.5 34.1 34.0 26.1 452 682 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.942 112.9 45.4 -59.0 -52.6 33.0 31.4 23.6 453 683 A K H X S+ 0 0 70 -4,-3.0 4,-1.6 1,-0.2 5,-0.2 0.987 112.9 49.1 -57.2 -61.1 31.6 29.0 26.2 454 684 A R H X S+ 0 0 7 -4,-2.6 4,-0.9 1,-0.2 8,-0.3 0.765 113.4 50.0 -51.4 -27.2 29.8 31.7 28.2 455 685 A G H >< S+ 0 0 0 -4,-1.7 3,-2.2 -5,-0.3 7,-0.6 0.988 110.9 44.4 -73.3 -65.5 28.3 32.9 24.9 456 686 A L H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.665 113.9 57.8 -51.6 -15.0 27.1 29.5 23.7 457 687 A R H 3< S+ 0 0 101 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.3 0.755 113.4 30.4 -88.8 -26.9 25.9 29.1 27.3 458 688 A N S+ 0 0 24 -2,-0.4 4,-3.0 -405,-0.3 5,-0.2 0.889 101.1 51.2 -64.0 -39.8 21.6 33.8 24.7 460 690 A R H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.981 116.2 38.4 -61.1 -58.8 22.0 37.2 26.4 461 691 A I H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.941 118.4 52.8 -56.6 -45.9 25.7 37.0 26.8 462 692 A G H X S+ 0 0 0 -4,-3.1 4,-1.7 -7,-0.6 -2,-0.2 0.843 106.5 52.2 -59.5 -37.0 25.8 35.3 23.3 463 693 A H H X S+ 0 0 5 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.974 116.5 37.9 -62.2 -57.1 23.8 38.2 21.8 464 694 A F H X S+ 0 0 22 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.832 109.3 61.0 -64.8 -36.1 26.1 40.9 23.0 465 695 A L H X S+ 0 0 1 -4,-3.0 4,-2.9 -5,-0.3 5,-0.3 0.933 103.9 53.8 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