==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-SEP-08 3ENE . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.APSEL,J.A.BLAIR,B.Z.GONZALEZ,T.M.NAZIF,M.E.FELDMAN,R.L.WIL . 843 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 13.6 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 . 1 0.1 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 . 50 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 1 4 2 1 2 4 1 3 3 1 1 3 0 0 2 0 1 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 5 3 2 3 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 . 1 1 1 2 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 1 144 A S 0 0 103 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 168.1 36.9 -31.4 49.8 2 145 A E > + 0 0 120 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.773 360.0 54.7 -93.8 -31.8 38.9 -28.6 51.5 3 146 A E H > S+ 0 0 121 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.412 103.6 61.5 -83.1 3.0 41.2 -27.3 48.8 4 147 A S H > S+ 0 0 43 -3,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.702 104.8 47.5 -84.7 -30.8 38.0 -26.8 46.8 5 148 A Q H > S+ 0 0 106 -4,-0.5 4,-1.7 2,-0.2 3,-0.3 0.925 110.6 50.4 -72.6 -45.1 36.9 -24.4 49.6 6 149 A A H X S+ 0 0 32 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.877 109.3 51.9 -60.6 -41.7 40.2 -22.5 49.5 7 150 A F H X S+ 0 0 16 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.786 106.7 52.9 -66.3 -30.7 40.0 -22.2 45.8 8 151 A Q H X S+ 0 0 25 -4,-0.9 4,-2.2 -3,-0.3 -1,-0.2 0.853 107.5 52.2 -72.5 -33.9 36.5 -20.7 46.0 9 152 A R H X S+ 0 0 152 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.824 107.0 52.3 -71.1 -32.2 37.9 -18.2 48.5 10 153 A Q H X S+ 0 0 75 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.963 110.8 48.6 -61.6 -49.9 40.6 -17.3 46.0 11 154 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.854 105.6 56.3 -60.5 -41.2 37.8 -16.7 43.4 12 155 A T H X>S+ 0 0 40 -4,-2.2 4,-3.2 2,-0.2 5,-0.7 0.935 108.9 48.0 -55.7 -47.5 35.7 -14.6 45.7 13 156 A A H <5S+ 0 0 60 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 114.5 45.0 -61.7 -44.7 38.6 -12.2 46.2 14 157 A L H <5S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 118.8 43.2 -63.6 -42.9 39.4 -12.0 42.4 15 158 A I H <5S- 0 0 1 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.897 94.6-140.7 -73.8 -39.9 35.7 -11.6 41.6 16 159 A G T <5S+ 0 0 52 -4,-3.2 2,-0.3 -5,-0.3 -3,-0.2 0.596 77.8 74.5 84.8 14.2 34.9 -9.1 44.4 17 160 A Y S - 0 0 59 -2,-0.3 3,-1.4 1,-0.1 -9,-0.1 -0.804 19.7-170.0 -97.5 105.5 30.6 -14.1 46.6 19 162 A V T 3 S+ 0 0 8 -2,-0.8 -1,-0.1 1,-0.3 15,-0.1 0.405 83.7 59.7 -76.0 -0.8 28.8 -16.3 44.0 20 163 A T T 3 S+ 0 0 62 -12,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.480 77.6 108.0-100.2 -13.6 27.8 -18.9 46.6 21 164 A D < + 0 0 74 -3,-1.4 -4,-0.0 1,-0.1 0, 0.0 -0.417 43.1 179.7 -60.8 140.4 25.8 -16.3 48.7 22 165 A V + 0 0 86 -2,-0.1 3,-0.4 3,-0.0 -1,-0.1 -0.170 46.8 110.2-138.4 37.5 22.1 -17.0 48.2 23 166 A S S S+ 0 0 84 1,-0.2 2,-0.5 0, 0.0 -2,-0.0 0.848 80.0 44.4 -83.5 -33.0 20.8 -14.2 50.4 24 167 A N S S+ 0 0 7 267,-0.0 2,-0.3 2,-0.0 267,-0.3 -0.521 90.4 107.3-114.0 60.7 19.3 -12.2 47.5 25 168 A V - 0 0 51 -2,-0.5 3,-0.1 -3,-0.4 -3,-0.0 -0.989 46.6-168.0-141.1 140.5 17.6 -14.8 45.4 26 169 A H S S- 0 0 56 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.530 86.0 -4.1 -99.1 -10.4 13.9 -15.8 44.8 27 170 A D S S- 0 0 38 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.876 84.4 -86.4-166.7-174.5 15.0 -19.1 43.1 28 171 A D S > S+ 0 0 67 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.104 73.6 120.9-107.4 26.6 18.1 -21.1 42.0 29 172 A E H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.849 76.3 53.6 -58.5 -41.4 18.9 -19.7 38.5 30 173 A L H > S+ 0 0 22 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.927 111.6 44.1 -61.1 -45.1 22.4 -18.5 39.5 31 174 A E H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.952 112.0 52.9 -64.3 -47.3 23.4 -22.0 40.9 32 175 A F H X S+ 0 0 88 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.872 109.8 50.3 -53.8 -37.3 21.9 -23.7 37.9 33 176 A T H X S+ 0 0 1 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.813 106.1 54.3 -74.3 -30.5 24.0 -21.4 35.7 34 177 A R H < S+ 0 0 18 -4,-1.7 4,-0.4 -3,-0.3 -2,-0.2 0.983 114.6 40.9 -63.6 -47.8 27.2 -22.2 37.6 35 178 A R H >< S+ 0 0 123 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.842 112.8 54.9 -68.6 -35.2 26.7 -25.9 37.0 36 179 A G H >< S+ 0 0 19 -4,-1.9 3,-0.8 -5,-0.3 -1,-0.2 0.860 102.8 56.3 -67.4 -35.9 25.5 -25.4 33.4 37 180 A L T 3X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.577 87.0 80.4 -75.1 -5.8 28.7 -23.4 32.5 38 181 A V H <> S+ 0 0 14 -3,-1.0 4,-2.5 -4,-0.4 -1,-0.2 0.901 89.8 53.7 -67.3 -38.1 30.9 -26.3 33.6 39 182 A T H <> S+ 0 0 102 -3,-0.8 4,-2.1 -4,-0.4 5,-0.2 0.963 111.5 39.5 -64.9 -57.7 30.3 -28.2 30.3 40 183 A P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.843 116.5 53.7 -65.3 -31.6 31.3 -25.4 27.8 41 184 A R H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.948 110.2 45.2 -61.9 -49.4 34.2 -24.4 30.0 42 185 A M H X S+ 0 0 89 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.841 111.1 54.7 -68.5 -33.7 35.6 -27.8 30.2 43 186 A A H X S+ 0 0 53 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.930 111.5 42.4 -58.4 -52.3 35.1 -28.3 26.4 44 187 A E H X S+ 0 0 2 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.899 115.2 51.1 -69.7 -36.9 37.1 -25.2 25.5 45 188 A V H < S+ 0 0 34 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.951 112.8 46.2 -60.8 -50.0 39.8 -26.0 28.2 46 189 A A H < S+ 0 0 90 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.1 41.0 -59.1 -41.0 40.1 -29.6 26.8 47 190 A S H < S+ 0 0 85 -4,-2.2 -1,-0.2 -5,-0.1 2,-0.2 0.487 86.3 105.2 -96.9 -5.4 40.3 -28.6 23.1 48 191 A R S < S- 0 0 26 -4,-1.2 410,-0.0 -3,-0.4 409,-0.0 -0.520 79.1-107.0 -76.8 144.5 42.5 -25.4 23.1 49 192 A D > - 0 0 82 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.575 23.2-149.5 -70.6 119.0 46.1 -25.8 21.9 50 193 A P H > S+ 0 0 78 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.905 91.6 46.5 -57.5 -45.1 48.5 -25.6 24.9 51 194 A K H > S+ 0 0 144 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.931 116.9 41.2 -66.8 -49.0 51.5 -24.0 23.0 52 195 A L H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.821 113.1 55.5 -71.4 -30.2 49.5 -21.3 21.2 53 196 A Y H < S+ 0 0 9 -4,-1.9 406,-0.4 2,-0.2 -1,-0.2 0.912 109.2 47.2 -64.0 -41.8 47.4 -20.6 24.3 54 197 A A H < S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.817 121.0 36.8 -68.1 -32.5 50.6 -20.0 26.4 55 198 A M H < S- 0 0 15 -4,-1.4 70,-0.6 -5,-0.1 -1,-0.2 0.574 85.9-162.2 -99.7 -14.4 52.1 -17.7 23.7 56 199 A H < - 0 0 20 -4,-1.7 69,-0.1 -5,-0.1 -3,-0.1 0.788 12.4-149.7 29.3 59.6 48.9 -16.0 22.6 57 200 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.287 6.0-137.6 -51.8 136.5 50.1 -14.7 19.2 58 201 A W + 0 0 68 67,-0.5 78,-2.6 365,-0.0 79,-0.5 -0.894 43.5 154.7-106.6 111.5 48.3 -11.4 18.4 59 202 A V B -A 135 0A 36 -2,-0.7 2,-0.3 76,-0.2 365,-0.3 -0.752 30.9-157.5-142.0 159.4 47.5 -11.7 14.8 60 203 A T - 0 0 2 74,-2.2 -2,-0.0 -2,-0.2 0, 0.0 -0.997 17.1-155.8-147.5 150.6 45.1 -10.6 11.9 61 204 A S + 0 0 90 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.491 63.5 111.8 -99.3 -8.1 44.0 -11.8 8.5 62 205 A K S S- 0 0 51 1,-0.1 -2,-0.1 72,-0.1 565,-0.0 -0.327 82.0 -94.8 -58.9 150.6 43.0 -8.3 7.2 63 206 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.358 43.1 -98.0 -66.6 147.7 45.3 -7.1 4.5 64 207 A L - 0 0 4 1,-0.1 5,-0.1 -3,-0.1 70,-0.1 -0.576 54.8-104.3 -63.4 123.2 48.3 -4.8 5.5 65 208 A P >> - 0 0 9 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.104 19.5-114.9 -54.5 147.7 46.9 -1.3 4.9 66 209 A E H 3> S+ 0 0 146 1,-0.2 4,-1.8 560,-0.2 5,-0.1 0.811 116.4 55.8 -42.4 -41.6 48.1 0.7 1.8 67 210 A Y H 34 S+ 0 0 47 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.731 108.3 46.7 -75.8 -24.3 49.8 3.3 4.2 68 211 A L H <4 S+ 0 0 6 -3,-1.1 4,-0.4 2,-0.2 3,-0.2 0.777 106.6 57.0 -82.1 -32.2 51.9 0.6 5.9 69 212 A W H >< S+ 0 0 85 -4,-2.0 3,-2.6 1,-0.2 6,-0.2 0.945 101.5 58.1 -59.7 -47.9 53.0 -1.0 2.6 70 213 A K T 3< S+ 0 0 170 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.803 98.5 60.4 -43.6 -37.8 54.3 2.5 1.6 71 214 A K T 3 S+ 0 0 83 -4,-0.4 2,-0.6 -3,-0.2 -1,-0.3 0.596 97.9 61.4 -74.8 -14.1 56.5 2.1 4.8 72 215 A I < + 0 0 13 -3,-2.6 3,-0.5 -4,-0.4 -1,-0.2 -0.830 66.9 173.4-103.8 89.0 58.0 -1.0 3.2 73 216 A A S S+ 0 0 98 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.409 74.6 31.0 -76.7 7.8 59.7 0.5 0.1 74 217 A N S S- 0 0 95 2,-0.2 -1,-0.2 -3,-0.0 3,-0.1 0.374 105.9-102.7-150.9 -2.3 61.5 -2.7 -0.9 75 218 A N S S+ 0 0 86 -3,-0.5 2,-0.3 -6,-0.2 -2,-0.1 0.857 90.5 104.8 60.7 37.9 59.6 -5.9 0.1 76 219 A C - 0 0 25 17,-0.2 2,-0.4 18,-0.1 17,-0.3 -0.911 53.9-159.3-148.1 122.1 61.9 -6.5 3.1 77 220 A I E -B 92 0B 7 15,-3.6 15,-1.4 -2,-0.3 2,-0.4 -0.809 20.0-129.1 -96.6 139.6 61.2 -5.9 6.8 78 221 A F E -B 91 0B 109 -2,-0.4 70,-0.8 13,-0.2 2,-0.4 -0.784 24.9-177.8 -97.2 133.0 64.1 -5.4 9.2 79 222 A I E -Bc 90 148B 5 11,-1.5 11,-2.1 -2,-0.4 2,-0.8 -0.955 15.1-153.0-135.8 110.4 64.2 -7.5 12.5 80 223 A V E -Bc 89 149B 15 68,-1.8 70,-2.2 -2,-0.4 9,-0.2 -0.776 16.5-162.7 -88.0 112.7 66.8 -7.1 15.2 81 224 A I E -Bc 88 150B 1 7,-2.2 7,-1.4 -2,-0.8 2,-0.3 -0.612 4.5-164.2 -85.9 151.7 67.2 -10.4 17.1 82 225 A H E +Bc 87 151B 43 68,-0.7 70,-2.0 -2,-0.2 5,-0.2 -0.966 21.1 176.8-130.4 150.8 69.0 -10.6 20.5 83 226 A R S S- 0 0 150 3,-1.9 2,-0.2 -2,-0.3 -1,-0.1 0.594 83.6 -27.9-108.6 -76.1 70.4 -13.4 22.6 84 227 A S S S- 0 0 84 67,-0.0 3,-0.1 2,-0.0 67,-0.0 -0.673 123.5 -41.3-140.9 83.4 72.0 -11.8 25.7 85 228 A T S S+ 0 0 151 1,-0.3 2,-0.4 -2,-0.2 -3,-0.0 0.697 116.9 108.5 56.6 24.3 73.1 -8.3 24.7 86 229 A T + 0 0 94 2,-0.0 -3,-1.9 0, 0.0 2,-0.3 -0.957 49.1 178.8-114.4 145.2 74.3 -9.6 21.4 87 230 A S E -B 82 0B 75 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.999 20.9-170.3-152.5 151.9 72.3 -8.7 18.3 88 231 A Q E -B 81 0B 74 -7,-1.4 -7,-2.2 -2,-0.3 2,-0.7 -0.991 24.1-129.5-140.0 142.5 72.0 -9.1 14.5 89 232 A T E -B 80 0B 67 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.858 25.5-164.9 -96.3 108.5 69.8 -7.4 11.9 90 233 A I E -B 79 0B 9 -11,-2.1 -11,-1.5 -2,-0.7 2,-0.2 -0.818 14.5-136.4 -96.4 124.5 68.1 -10.1 9.7 91 234 A K E +B 78 0B 155 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.579 33.5 176.3 -75.7 143.8 66.5 -8.9 6.4 92 235 A V E -B 77 0B 6 -15,-1.4 -15,-3.6 -2,-0.2 9,-0.0 -0.995 29.5-119.0-155.4 145.9 63.1 -10.6 5.9 93 236 A S > - 0 0 28 -2,-0.3 3,-2.0 -17,-0.3 39,-0.3 -0.621 29.6-118.8 -90.8 153.0 60.2 -10.6 3.5 94 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.7 0, 0.0 40,-0.3 0.676 113.2 53.5 -67.7 -18.2 56.6 -9.6 4.7 95 238 A D T 3 S+ 0 0 93 36,-0.2 2,-0.3 37,-0.1 -2,-0.0 0.303 82.0 118.7 -95.7 4.5 55.2 -13.1 3.8 96 239 A D < - 0 0 52 -3,-2.0 36,-2.3 35,-0.1 37,-0.2 -0.575 60.9-136.1 -70.3 129.5 57.9 -14.9 5.8 97 240 A T > - 0 0 32 -2,-0.3 4,-1.3 34,-0.3 5,-0.2 -0.418 23.9-113.1 -69.7 156.6 56.5 -17.0 8.7 98 241 A P H > S+ 0 0 3 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.838 120.1 57.7 -60.3 -34.0 58.4 -16.8 12.1 99 242 A G H > S+ 0 0 37 29,-0.3 4,-0.9 1,-0.2 30,-0.1 0.881 108.4 45.4 -56.8 -42.7 59.5 -20.4 11.6 100 243 A A H > S+ 0 0 50 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.662 107.7 56.9 -79.0 -21.4 61.1 -19.4 8.3 101 244 A I H X S+ 0 0 0 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.831 105.4 53.0 -72.9 -35.1 62.7 -16.3 9.8 102 245 A L H X S+ 0 0 28 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.774 103.4 55.2 -74.1 -28.5 64.4 -18.7 12.3 103 246 A Q H X S+ 0 0 137 -4,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.824 111.3 46.1 -67.5 -32.8 65.8 -20.9 9.6 104 247 A S H X S+ 0 0 49 -4,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.698 113.7 48.6 -84.7 -22.6 67.5 -17.8 8.1 105 248 A F H X S+ 0 0 22 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.943 111.6 47.3 -78.0 -54.4 68.8 -16.6 11.5 106 249 A F H X S+ 0 0 82 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.852 113.1 49.0 -57.3 -38.9 70.2 -20.0 12.6 107 250 A T H < S+ 0 0 81 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.921 109.6 52.6 -67.5 -44.3 72.0 -20.4 9.2 108 251 A K H < S+ 0 0 113 -4,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.940 120.1 34.5 -51.7 -52.0 73.4 -16.9 9.4 109 252 A M H < S+ 0 0 116 -4,-2.5 -2,-0.1 1,-0.1 -3,-0.1 0.951 118.4 32.4 -70.9 -92.7 74.8 -17.6 12.9 110 253 A A < 0 0 77 -4,-0.6 -1,-0.1 -5,-0.1 0, 0.0 -0.317 360.0 360.0 -73.6 151.8 76.0 -21.2 13.3 111 254 A K 0 0 204 -2,-0.0 -4,-0.1 -3,-0.0 -1,-0.0 -0.638 360.0 360.0-156.6 360.0 77.5 -23.2 10.4 112 ! 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 0.0 113 268 A Q 0 0 188 0, 0.0 2,-0.3 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 80.7 66.2 -27.7 21.2 114 269 A D - 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0 0 59 -3,-1.7 3,-2.4 -4,-0.2 4,-0.5 -0.892 67.9-162.3-118.1 100.8 17.2 -10.6 3.0 356 586 A P G > S+ 0 0 29 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.845 90.8 61.6 -50.8 -36.1 19.5 -10.9 6.0 357 587 A K G 3 S+ 0 0 124 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.623 95.0 61.4 -66.4 -15.6 19.1 -7.1 6.6 358 588 A A G <> S+ 0 0 0 -3,-2.4 4,-3.1 -6,-0.3 -1,-0.3 0.603 78.3 94.9 -79.9 -13.1 15.3 -7.5 7.1 359 589 A Y H <> S+ 0 0 0 -3,-1.5 4,-2.8 -4,-0.5 5,-0.3 0.882 81.4 46.6 -57.2 -50.4 15.8 -9.7 10.1 360 590 A P H > S+ 0 0 9 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.930 117.9 42.8 -52.4 -51.0 15.6 -7.1 12.9 361 591 A K H 4 S+ 0 0 16 -4,-0.4 3,-0.3 1,-0.2 -2,-0.2 0.908 114.3 52.0 -65.7 -39.7 12.6 -5.5 11.5 362 592 A L H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.2 -1,-0.2 0.903 110.7 45.7 -62.3 -45.5 11.0 -8.9 10.7 363 593 A F H 3< S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.653 110.5 55.0 -75.9 -11.7 11.4 -10.3 14.2 364 594 A S T 3< S+ 0 0 34 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.179 98.3 63.9 -99.8 8.1 10.1 -7.1 15.6 365 595 A S S < S+ 0 0 12 -3,-1.4 2,-0.4 -5,-0.1 -1,-0.2 0.150 84.1 107.7-107.6 14.7 7.0 -7.5 13.5 366 596 A V S S- 0 0 3 -3,-0.4 2,-1.4 -21,-0.0 3,-0.1 -0.780 72.5-133.3 -98.3 136.9 6.2 -10.7 15.5 367 597 A K > - 0 0 127 -2,-0.4 3,-1.3 1,-0.2 7,-0.2 -0.708 26.9-178.0 -85.2 88.4 3.3 -10.9 18.0 368 598 A W T 3 S+ 0 0 8 -2,-1.4 -1,-0.2 1,-0.3 6,-0.1 0.686 73.4 68.1 -68.8 -16.9 5.4 -12.6 20.7 369 599 A G T 3 S+ 0 0 16 -3,-0.1 2,-0.4 -133,-0.1 -1,-0.3 0.095 86.2 78.9 -89.7 20.7 2.3 -12.8 22.9 370 600 A Q X> - 0 0 87 -3,-1.3 4,-2.0 1,-0.1 3,-0.8 -0.960 68.8-152.7-128.9 116.2 0.6 -15.3 20.6 371 601 A Q H 3> S+ 0 0 88 -2,-0.4 4,-1.8 1,-0.3 -1,-0.1 0.860 93.6 50.5 -58.7 -42.1 1.8 -18.9 20.9 372 602 A E H 3> S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.786 110.3 50.3 -66.4 -31.8 0.9 -20.0 17.3 373 603 A I H <> S+ 0 0 20 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.899 109.0 51.0 -71.8 -43.2 2.7 -17.0 15.8 374 604 A V H X S+ 0 0 14 -4,-2.0 4,-1.9 -7,-0.2 -2,-0.2 0.871 109.5 52.7 -58.2 -40.2 5.8 -17.8 17.9 375 605 A A H X S+ 0 0 27 -4,-1.8 4,-2.3 1,-0.2 3,-0.3 0.949 107.4 49.7 -63.9 -48.6 5.5 -21.3 16.5 376 606 A K H X S+ 0 0 83 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.812 108.0 55.7 -60.2 -31.0 5.4 -20.1 13.0 377 607 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.886 107.2 47.7 -70.9 -38.9 8.4 -17.9 13.7 378 608 A Y H X S+ 0 0 83 -4,-1.9 4,-0.6 -3,-0.3 -2,-0.2 0.886 111.2 51.2 -66.4 -39.1 10.4 -21.0 14.8 379 609 A Q H < S+ 0 0 122 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.825 109.8 53.2 -63.3 -30.8 9.2 -22.8 11.7 380 610 A L H >< S+ 0 0 0 -4,-1.4 3,-1.1 -5,-0.2 -2,-0.2 0.934 107.0 48.2 -70.0 -45.2 10.5 -19.7 9.8 381 611 A L H 3< S+ 0 0 3 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.511 93.5 78.3 -77.2 -6.9 14.0 -19.7 11.3 382 612 A A T 3< S+ 0 0 77 -4,-0.6 2,-0.9 -3,-0.4 -1,-0.2 0.750 88.4 57.6 -75.1 -26.4 14.4 -23.5 10.6 383 613 A R < + 0 0 112 -3,-1.1 3,-0.4 -4,-0.4 -1,-0.3 -0.631 68.9 149.8 -98.3 71.5 15.1 -22.7 7.0 384 614 A R >> + 0 0 73 -2,-0.9 4,-2.7 -3,-0.3 3,-0.7 0.295 21.6 121.2 -91.0 10.4 18.0 -20.5 7.8 385 615 A E H 3> S+ 0 0 129 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.811 75.4 46.5 -51.0 -41.5 20.1 -21.1 4.7 386 616 A V H 3> S+ 0 0 57 -3,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.893 115.7 47.2 -69.0 -39.4 20.2 -17.5 3.5 387 617 A W H X4 S+ 0 0 1 -3,-0.7 3,-0.8 1,-0.2 -2,-0.2 0.961 111.5 50.2 -59.2 -53.7 21.2 -16.3 7.0 388 618 A D H 3< S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.642 114.2 44.9 -62.0 -20.3 23.8 -19.0 7.4 389 619 A Q H 3< S+ 0 0 151 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.566 90.0 100.8-103.9 -14.4 25.5 -18.2 4.0 390 620 A S S << S- 0 0 31 -4,-1.0 2,-0.1 -3,-0.8 3,-0.1 -0.394 82.8-100.4 -68.2 149.7 25.5 -14.4 4.3 391 621 A A - 0 0 91 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.393 48.3 -89.7 -66.8 147.8 28.7 -12.7 5.2 392 622 A L - 0 0 49 -2,-0.1 2,-0.5 25,-0.1 -1,-0.1 -0.397 40.6-172.2 -61.3 126.8 29.1 -11.6 8.9 393 623 A D > - 0 0 64 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.951 8.1-161.6-120.7 102.4 27.7 -8.1 9.3 394 624 A V H > S+ 0 0 21 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.871 86.6 52.6 -60.7 -35.8 28.6 -7.2 12.8 395 625 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 108.1 48.8 -64.0 -47.9 26.1 -4.3 13.0 396 626 A L H > S+ 0 0 10 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.901 113.3 49.5 -56.8 -42.2 23.1 -6.4 11.9 397 627 A T H X S+ 0 0 1 -4,-2.0 4,-0.6 1,-0.2 3,-0.5 0.869 106.0 53.6 -69.2 -39.7 24.1 -9.0 14.4 398 628 A M H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.795 101.4 62.6 -63.9 -31.8 24.5 -6.6 17.3 399 629 A Q H >< S+ 0 0 21 -4,-1.6 3,-1.0 1,-0.2 5,-0.3 0.851 99.9 52.8 -60.3 -36.5 20.9 -5.4 16.6 400 630 A L H 3< S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.673 107.8 53.0 -73.4 -14.7 19.5 -8.8 17.4 401 631 A L T << S+ 0 0 0 -3,-0.6 -1,-0.2 -4,-0.6 38,-0.2 0.263 92.5 96.2-102.5 8.4 21.3 -8.8 20.7 402 632 A D S X S- 0 0 11 -3,-1.0 3,-1.3 -4,-0.1 -3,-0.1 -0.076 96.9 -79.2 -88.2-168.8 19.9 -5.4 21.9 403 633 A C T 3 S+ 0 0 8 1,-0.3 -3,-0.1 -199,-0.0 -4,-0.1 0.564 117.6 72.0 -74.0 -6.5 17.0 -4.7 24.2 404 634 A N T 3 S+ 0 0 82 -5,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.508 91.4 62.5 -87.6 -2.8 14.4 -5.2 21.4 405 635 A F < + 0 0 11 -3,-1.3 -202,-0.1 1,-0.1 -1,-0.1 -0.969 41.9 158.2-128.6 118.6 14.8 -9.0 21.3 406 636 A S + 0 0 19 -2,-0.5 2,-0.4 34,-0.1 -1,-0.1 0.429 43.8 112.2-109.9 -7.0 14.0 -11.4 24.2 407 637 A D > - 0 0 2 1,-0.2 4,-2.1 -205,-0.1 5,-0.2 -0.583 60.1-147.2 -75.3 126.1 13.5 -14.6 22.2 408 638 A E H > S+ 0 0 96 -2,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.900 96.7 51.3 -53.0 -45.3 16.2 -17.1 22.8 409 639 A N H > S+ 0 0 51 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.881 110.0 46.5 -71.1 -39.4 16.0 -18.5 19.3 410 640 A V H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.944 114.3 49.4 -58.7 -45.6 16.4 -15.1 17.5 411 641 A R H X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.3 -2,-0.2 0.750 106.0 56.5 -73.1 -24.0 19.3 -14.1 19.8 412 642 A A H X S+ 0 0 35 -4,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.840 98.9 57.5 -78.4 -36.2 21.1 -17.4 19.2 413 643 A I H X S+ 0 0 0 -4,-1.2 4,-1.3 -3,-0.4 -1,-0.2 0.803 108.0 51.5 -66.1 -25.3 21.2 -17.0 15.4 414 644 A A H X S+ 0 0 0 -4,-1.0 4,-1.4 2,-0.2 3,-0.3 0.961 109.6 46.9 -69.3 -50.9 23.0 -13.7 16.1 415 645 A V H X S+ 0 0 5 -4,-1.9 4,-1.0 1,-0.2 3,-0.4 0.895 106.7 59.1 -58.7 -35.6 25.5 -15.4 18.4 416 646 A Q H >< S+ 0 0 68 -4,-2.7 3,-0.8 1,-0.3 4,-0.2 0.913 103.2 53.5 -57.7 -45.0 26.1 -18.1 15.7 417 647 A K H >< S+ 0 0 13 -4,-1.3 3,-1.2 -3,-0.3 -1,-0.3 0.839 101.4 59.0 -54.6 -39.1 27.1 -15.4 13.3 418 648 A L H >< S+ 0 0 1 -4,-1.4 3,-2.5 -3,-0.4 -1,-0.2 0.773 83.8 82.9 -66.7 -24.8 29.7 -14.1 15.8 419 649 A E T << S+ 0 0 90 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.669 85.5 57.6 -52.8 -24.7 31.5 -17.5 15.8 420 650 A S T < S+ 0 0 89 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.3 0.425 78.8 111.1 -91.6 -0.4 33.4 -16.6 12.6 421 651 A L < - 0 0 9 -3,-2.5 2,-0.1 -4,-0.1 -3,-0.0 -0.566 68.4-128.7 -68.7 131.1 35.0 -13.4 14.1 422 652 A E >> - 0 0 48 -2,-0.3 4,-1.9 1,-0.1 3,-0.9 -0.375 29.8-101.6 -75.0 164.8 38.7 -13.8 14.5 423 653 A D H 3> S+ 0 0 46 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.885 123.6 64.2 -56.9 -44.4 40.1 -12.9 18.0 424 654 A D H 3> S+ 0 0 8 -365,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.905 106.8 40.5 -34.0 -56.5 41.2 -9.7 16.4 425 655 A D H <> S+ 0 0 32 -3,-0.9 4,-1.0 1,-0.2 -2,-0.2 0.808 109.0 60.2 -78.9 -25.4 37.6 -8.7 15.8 426 656 A V H >X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 3,-0.8 0.918 101.1 54.2 -65.1 -42.6 36.4 -10.0 19.1 427 657 A L H 3< S+ 0 0 25 -4,-2.4 3,-0.4 1,-0.3 4,-0.4 0.871 106.0 54.1 -61.3 -41.9 38.7 -7.7 21.0 428 658 A H H 3< S+ 0 0 40 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.769 120.5 30.1 -55.2 -32.9 37.2 -4.8 19.1 429 659 A Y H S+ 0 0 2 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.910 115.2 45.0 -66.2 -43.0 33.2 -4.5 25.7 432 662 A Q H > S+ 0 0 4 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.885 112.8 51.4 -69.6 -36.7 29.9 -4.0 23.9 433 663 A L H X S+ 0 0 0 -4,-2.8 4,-0.5 2,-0.2 -2,-0.2 0.929 110.3 49.2 -64.0 -40.9 29.3 -7.8 23.8 434 664 A V H >< S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.2 4,-0.3 0.936 112.5 48.4 -58.9 -44.7 29.9 -7.9 27.5 435 665 A Q H >< S+ 0 0 7 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.859 100.9 65.0 -66.2 -32.8 27.4 -5.0 28.0 436 666 A A H >< S+ 0 0 1 -4,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.670 82.7 77.4 -67.7 -14.6 24.9 -6.8 25.7 437 667 A V G X< S+ 0 0 1 -3,-1.4 3,-1.4 -4,-0.5 -1,-0.3 0.777 80.1 71.1 -62.1 -26.0 24.7 -9.5 28.4 438 668 A K G < S+ 0 0 4 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.654 93.4 55.3 -62.0 -18.3 22.5 -7.0 30.3 439 669 A F G < S+ 0 0 10 -3,-1.8 -1,-0.2 -38,-0.2 -2,-0.2 0.387 81.4 109.4 -99.4 -0.3 19.8 -7.6 27.6 440 670 A E < - 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0 0 15 -4,-1.2 4,-2.6 -3,-0.5 -1,-0.2 -0.967 63.7-150.0-138.9 115.4 42.8 -16.6 24.0 459 689 A K H > S+ 0 0 28 -2,-0.4 4,-2.5 -406,-0.4 5,-0.2 0.792 100.3 55.5 -48.5 -38.0 44.7 -15.1 27.0 460 690 A R H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.957 111.3 41.9 -64.9 -50.3 44.3 -11.5 25.5 461 691 A I H > S+ 0 0 0 -7,-0.2 4,-3.0 -3,-0.2 -2,-0.2 0.895 114.3 54.0 -60.6 -39.5 40.5 -11.8 25.3 462 692 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 -7,-0.6 -2,-0.2 0.968 105.5 53.0 -59.3 -50.7 40.5 -13.5 28.7 463 693 A H H X S+ 0 0 7 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.905 115.6 38.5 -51.9 -49.8 42.4 -10.7 30.3 464 694 A F H X S+ 0 0 22 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.897 111.6 58.2 -72.6 -36.9 40.1 -8.0 29.1 465 695 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.882 105.3 53.8 -55.2 -37.7 37.0 -10.1 29.7 466 696 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.947 113.0 39.0 -64.8 -52.0 38.1 -10.3 33.3 467 697 A W H X S+ 0 0 1 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.807 115.1 52.6 -71.4 -32.6 38.4 -6.5 33.8 468 698 A F H X S+ 0 0 11 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.964 115.8 41.0 -69.1 -49.2 35.2 -5.7 31.8 469 699 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 3,-0.4 0.921 116.2 49.8 -57.8 -45.8 33.2 -8.2 33.9 470 700 A R H X S+ 0 0 14 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.779 102.9 61.2 -67.5 -30.5 34.9 -7.1 37.1 471 701 A S H < S+ 0 0 1 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.878 111.4 38.9 -59.7 -43.5 34.2 -3.5 36.3 472 702 A E H >X S+ 0 0 2 -4,-1.2 4,-3.0 -3,-0.4 3,-1.0 0.876 111.2 58.0 -75.6 -43.1 30.4 -4.2 36.3 473 703 A I H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 109.5 45.8 -57.4 -37.0 30.5 -6.6 39.3 474 704 A A T 3< S+ 0 0 46 -4,-1.8 170,-0.3 -5,-0.2 -1,-0.2 0.652 125.5 28.0 -82.3 -9.9 32.1 -3.9 41.5 475 705 A Q T <4 S+ 0 0 26 -3,-1.0 2,-0.7 -4,-0.4 -2,-0.2 0.690 104.0 66.6-125.5 -34.4 29.7 -1.1 40.4 476 706 A S X - 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