==== 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 09-NOV-09 2WXQ . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.BERNDT,S.MILLER,O.WILLIAMS,D.D.LEE,B.T.HOUSEMAN,J.I.PACOLD . 822 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 72.7 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 . 118 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 47 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 3 3 2 1 3 2 2 5 1 0 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 1 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 . 4 7 4 1 2 2 2 1 1 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 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 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 1 109 A V > 0 0 151 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.1 -7.4 39.7 5.6 2 110 A K H > + 0 0 94 1,-0.2 4,-1.4 2,-0.2 0, 0.0 0.819 360.0 57.0 -52.5 -33.8 -10.8 39.9 7.2 3 111 A K H > S+ 0 0 149 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.869 102.9 50.1 -67.4 -43.0 -11.6 37.7 4.1 4 112 A L H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.883 105.2 57.7 -66.0 -40.1 -9.0 35.0 5.0 5 113 A I H X S+ 0 0 40 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.929 105.3 51.7 -54.9 -46.6 -10.4 34.8 8.6 6 114 A N H X S+ 0 0 37 -4,-1.4 4,-2.1 1,-0.2 11,-0.3 0.849 109.2 47.8 -60.3 -41.1 -13.8 33.9 7.2 7 115 A S H X S+ 0 0 49 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.843 112.4 50.6 -73.3 -33.2 -12.5 31.1 5.0 8 116 A Q H X S+ 0 0 31 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.976 109.6 49.0 -64.3 -55.6 -10.6 29.8 7.9 9 117 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 6,-0.3 0.906 111.3 53.3 -44.9 -45.8 -13.6 29.9 10.2 10 118 A S H X>S+ 0 0 27 -4,-2.1 4,-1.3 1,-0.2 5,-0.5 0.926 111.6 42.4 -59.0 -50.4 -15.5 28.1 7.4 11 119 A L H <5S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.859 114.9 54.4 -64.2 -35.0 -13.0 25.3 7.1 12 120 A L H <5S+ 0 0 11 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.899 111.9 38.2 -68.8 -44.0 -12.8 25.1 10.8 13 121 A I H <5S- 0 0 0 -4,-2.5 -1,-0.2 2,-0.3 -2,-0.2 0.644 105.3-119.3 -88.6 -13.5 -16.5 24.7 11.7 14 122 A G T <5S+ 0 0 46 -4,-1.3 2,-0.4 -5,-0.3 -3,-0.1 0.435 86.5 86.4 88.9 -0.1 -17.3 22.4 8.8 15 123 A K S - 0 0 15 -2,-0.4 3,-1.7 1,-0.1 4,-0.3 -0.597 17.7-132.4 -76.3 136.2 -19.3 27.7 5.0 17 125 A L T >> S+ 0 0 13 -11,-0.3 3,-1.4 -2,-0.3 4,-1.0 0.717 99.1 73.3 -59.8 -27.7 -20.4 31.2 6.2 18 126 A H H 3> S+ 0 0 118 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.747 87.6 65.6 -58.5 -25.5 -22.2 32.1 3.0 19 127 A E H <> S+ 0 0 69 -3,-1.7 4,-0.7 1,-0.2 -1,-0.3 0.803 94.6 56.0 -72.4 -30.2 -24.9 29.7 4.1 20 128 A F H <4 S+ 0 0 0 -3,-1.4 5,-0.5 -4,-0.3 3,-0.4 0.891 112.1 43.2 -64.6 -40.8 -25.7 31.9 7.1 21 129 A D H >< S+ 0 0 87 -4,-1.0 3,-3.0 1,-0.2 -2,-0.2 0.937 105.0 62.8 -67.7 -45.3 -26.4 34.8 4.7 22 130 A S H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.700 92.1 67.5 -54.9 -23.8 -28.3 32.6 2.2 23 131 A L T 3< S- 0 0 85 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.670 86.9-154.2 -70.0 -19.1 -30.9 32.0 5.0 24 132 A R < + 0 0 222 -3,-3.0 -3,-0.1 -4,-0.2 -2,-0.1 0.858 40.2 152.4 43.5 44.6 -31.9 35.7 4.7 25 133 A D > - 0 0 37 -5,-0.5 4,-2.5 1,-0.1 3,-0.2 -0.917 44.7-156.6-115.5 118.7 -33.0 35.3 8.4 26 134 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.816 95.3 58.8 -63.1 -31.3 -33.1 38.3 10.9 27 135 A E H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 412,-0.2 0.932 111.1 40.2 -60.7 -49.0 -32.8 35.9 13.9 28 136 A V H > S+ 0 0 0 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 113.5 55.3 -64.4 -46.7 -29.5 34.5 12.6 29 137 A N H X S+ 0 0 64 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.879 110.5 45.0 -54.4 -42.9 -28.3 38.0 11.5 30 138 A D H X S+ 0 0 61 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.920 111.0 52.0 -69.7 -45.0 -28.8 39.4 14.9 31 139 A F H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.918 112.9 48.0 -55.2 -45.7 -27.2 36.5 16.7 32 140 A R H X S+ 0 0 41 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.893 116.9 38.7 -62.6 -44.1 -24.2 36.9 14.4 33 141 A T H X S+ 0 0 97 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.882 120.9 45.4 -78.9 -35.7 -23.8 40.6 14.8 34 142 A K H >X S+ 0 0 127 -4,-3.0 4,-1.8 -5,-0.2 3,-0.8 0.990 113.2 47.7 -69.3 -59.8 -24.6 40.6 18.5 35 143 A M H 3X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.4 -1,-0.2 0.759 109.1 56.3 -57.8 -25.9 -22.5 37.6 19.5 36 144 A R H 3X S+ 0 0 75 -4,-1.1 4,-2.3 -5,-0.2 -1,-0.3 0.895 104.5 50.3 -71.7 -40.1 -19.5 39.1 17.5 37 145 A Q H < S+ 0 0 110 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.960 107.2 55.6 -53.0 -56.9 -10.2 42.5 27.4 46 154 A R H >< S+ 0 0 6 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.767 93.4 66.8 -50.0 -40.2 -7.9 39.5 27.3 47 155 A Q T 3< S+ 0 0 40 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.566 104.7 47.6 -65.9 -4.2 -5.1 41.2 25.4 48 156 A Q T < S+ 0 0 143 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.252 79.6 120.2-122.9 9.3 -4.6 43.5 28.5 49 157 A L S < S- 0 0 31 -3,-1.9 5,-0.0 -4,-0.1 114,-0.0 -0.411 71.0-104.1 -60.4 147.5 -4.5 40.9 31.3 50 158 A G > - 0 0 36 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.253 39.1 -96.5 -66.7 168.3 -1.3 40.9 33.4 51 159 A W H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.922 123.8 46.9 -62.5 -47.6 1.1 38.1 32.8 52 160 A V H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 113.5 50.9 -56.9 -43.4 -0.0 35.8 35.6 53 161 A E H > S+ 0 0 92 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.873 107.0 53.3 -64.1 -37.7 -3.6 36.4 34.6 54 162 A W H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.859 106.8 52.6 -64.8 -37.3 -2.8 35.5 31.0 55 163 A L H X S+ 0 0 0 -4,-2.1 4,-3.7 1,-0.2 -2,-0.2 0.972 106.8 52.7 -58.9 -52.3 -1.3 32.2 32.3 56 164 A Q H < S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.765 114.8 42.5 -50.3 -35.1 -4.5 31.6 34.1 57 165 A Y H < S+ 0 0 6 -4,-1.4 397,-2.9 -5,-0.1 398,-0.4 0.910 121.6 38.9 -74.1 -45.6 -6.4 32.1 30.8 58 166 A S H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.877 134.8 10.5 -83.7 -43.6 -3.9 30.2 28.7 59 167 A F S < S- 0 0 9 -4,-3.7 -1,-0.3 -5,-0.2 67,-0.2 -0.692 81.1-154.5-136.9 80.9 -3.0 27.2 30.9 60 168 A P - 0 0 27 0, 0.0 66,-0.1 0, 0.0 -4,-0.1 -0.205 32.7 -88.1 -61.7 149.5 -5.3 27.1 33.9 61 169 A L - 0 0 28 1,-0.1 2,-0.6 64,-0.1 66,-0.1 -0.191 30.1-146.5 -52.0 140.1 -4.0 25.4 37.0 62 170 A Q + 0 0 29 64,-0.3 75,-1.8 -3,-0.1 76,-0.4 -0.889 31.2 176.8-114.3 97.9 -4.6 21.7 37.4 63 171 A L B -A 136 0A 40 -2,-0.6 73,-0.2 73,-0.2 72,-0.1 -0.702 35.2 -99.8-108.6 152.6 -5.1 21.0 41.1 64 172 A E 0 0 62 71,-3.4 -1,-0.1 -2,-0.3 548,-0.0 -0.450 360.0 360.0 -65.8 135.9 -5.9 18.0 43.3 65 173 A P 0 0 75 0, 0.0 -1,-0.1 0, 0.0 548,-0.0 -0.085 360.0 360.0 -54.8 360.0 -9.6 17.9 44.3 66 ! 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 67 187 A N 0 0 161 0, 0.0 2,-0.4 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -81.9 6.2 17.2 55.5 68 188 A R - 0 0 152 1,-0.0 21,-2.7 2,-0.0 22,-0.2 -0.890 360.0-122.9-115.0 140.5 7.7 14.8 53.0 69 189 A A E +B 88 0B 32 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.333 32.4 171.9 -67.5 154.5 10.9 15.0 51.0 70 190 A L E -B 87 0B 12 17,-1.3 17,-2.0 2,-0.0 2,-0.4 -0.894 30.5-122.3-160.8 146.0 10.9 14.8 47.2 71 191 A L E -B 86 0B 93 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.739 30.5-176.9 -89.1 133.6 13.5 15.3 44.5 72 192 A V E -B 85 0B 0 13,-2.5 13,-2.2 -2,-0.4 2,-0.4 -0.957 15.9-147.4-126.0 145.3 12.7 18.0 41.9 73 193 A N E -Bc 84 150B 11 76,-3.4 78,-2.6 -2,-0.4 2,-0.4 -0.972 18.3-173.1-112.1 131.6 14.7 18.9 38.9 74 194 A V E +Bc 83 151B 0 9,-2.5 9,-2.2 -2,-0.4 2,-0.3 -0.970 7.2 172.1-126.7 139.3 14.7 22.6 37.7 75 195 A K E -Bc 82 152B 31 76,-2.0 78,-3.3 -2,-0.4 2,-0.3 -0.913 30.0-116.0-135.1 164.8 16.1 24.2 34.6 76 196 A F E > - c 0 153B 25 5,-0.6 3,-1.5 -2,-0.3 78,-0.1 -0.826 34.7-108.9-104.9 148.1 15.9 27.7 33.0 77 197 A E T 3 S+ 0 0 103 76,-1.6 2,-0.3 -2,-0.3 -1,-0.1 0.814 107.9 41.4 -45.3 -63.5 14.3 28.2 29.5 78 198 A G T 3 S+ 0 0 88 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.079 109.9 67.2 -79.2 28.7 17.2 28.9 27.1 79 199 A S < - 0 0 36 -3,-1.5 -3,-0.1 -2,-0.3 0, 0.0 -0.992 61.6-147.2-152.8 153.7 19.6 26.3 28.5 80 200 A E S S+ 0 0 163 -2,-0.3 -1,-0.1 -5,-0.1 -3,-0.0 0.720 70.4 102.6 -90.7 -27.0 20.3 22.6 29.0 81 201 A E + 0 0 121 -6,-0.0 -5,-0.6 -5,-0.0 2,-0.3 -0.333 51.4 175.4 -65.4 139.1 22.0 22.8 32.4 82 202 A S E -B 75 0B 59 -7,-0.2 2,-0.3 -2,-0.0 -7,-0.2 -0.932 22.0-138.6-147.5 168.0 19.9 21.8 35.3 83 203 A F E -B 74 0B 34 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.5 -0.918 8.6-142.0-133.6 149.2 19.9 21.3 39.1 84 204 A T E -B 73 0B 92 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.965 24.7-179.3-118.6 117.9 18.4 18.7 41.4 85 205 A F E -B 72 0B 17 -13,-2.2 -13,-2.5 -2,-0.5 2,-0.5 -0.875 27.2-131.6-113.3 149.6 17.0 19.9 44.8 86 206 A Q E +B 71 0B 144 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.827 38.4 168.7 -83.4 134.1 15.4 18.3 47.8 87 207 A V E -B 70 0B 13 -17,-2.0 -17,-1.3 -2,-0.5 2,-0.4 -0.928 35.9-105.3-134.6 169.0 12.2 20.1 48.8 88 208 A S E > -B 69 0B 17 -2,-0.3 3,-1.7 -19,-0.2 45,-0.3 -0.746 24.9-126.2 -88.3 142.4 9.3 19.5 51.1 89 209 A T T 3 S+ 0 0 9 -21,-2.7 45,-1.4 -2,-0.4 46,-0.2 0.603 111.7 59.3 -56.3 -14.5 6.0 18.6 49.6 90 210 A K T 3 S+ 0 0 124 -22,-0.2 -1,-0.2 42,-0.2 45,-0.0 0.574 79.5 115.8 -92.7 -12.8 4.6 21.6 51.7 91 211 A D < - 0 0 45 -3,-1.7 42,-2.3 41,-0.2 43,-0.1 -0.303 68.3-119.9 -62.9 138.3 6.8 24.2 50.0 92 212 A M >> - 0 0 66 40,-0.2 3,-1.7 1,-0.1 4,-1.2 -0.519 27.2-110.7 -69.7 144.7 5.2 27.0 48.0 93 213 A P H 3> S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.771 119.6 62.7 -45.1 -28.3 6.2 27.1 44.3 94 214 A L H 3> S+ 0 0 63 35,-0.3 4,-2.2 2,-0.2 5,-0.1 0.849 96.5 54.3 -68.7 -37.2 7.9 30.4 45.3 95 215 A A H <> S+ 0 0 42 -3,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.845 110.1 48.3 -65.4 -35.7 10.4 28.6 47.7 96 216 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 3,-0.2 0.921 109.6 51.0 -71.5 -46.7 11.4 26.4 44.9 97 217 A M H X S+ 0 0 10 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.876 106.4 56.0 -58.0 -39.3 11.9 29.2 42.5 98 218 A A H X S+ 0 0 22 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.867 109.2 47.5 -61.3 -38.0 14.1 31.0 45.1 99 219 A C H X S+ 0 0 30 -4,-1.3 4,-2.8 -3,-0.2 5,-0.3 0.970 106.3 56.1 -63.8 -57.2 16.3 28.0 45.2 100 220 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.903 112.0 44.2 -38.2 -55.5 16.6 27.7 41.5 101 221 A L H X S+ 0 0 27 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.846 110.8 51.7 -65.1 -40.4 17.9 31.3 41.3 102 222 A R H < S+ 0 0 161 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.845 113.7 46.3 -68.0 -34.4 20.3 31.0 44.3 103 223 A K H >X S+ 0 0 104 -4,-2.8 4,-1.7 2,-0.2 3,-1.0 0.936 113.8 48.5 -66.4 -50.6 21.8 27.9 42.6 104 224 A K H 3< S+ 0 0 64 -4,-2.7 4,-0.4 -5,-0.3 5,-0.2 0.946 105.2 57.4 -51.8 -56.3 22.0 29.6 39.2 105 225 A A T 3X S+ 0 0 31 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.563 107.3 48.7 -62.5 -12.9 23.6 32.8 40.5 106 226 A T T <4 S+ 0 0 82 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.873 111.9 46.1 -86.1 -49.0 26.6 30.8 41.9 107 227 A V T < S+ 0 0 92 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.414 129.1 32.1 -67.6 3.5 27.2 28.8 38.7 108 228 A F T 4 S- 0 0 132 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.487 105.5-120.4-136.8 -16.1 26.8 32.3 37.1 109 229 A R < 0 0 210 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.233 360.0 360.0 86.4 -10.4 28.2 34.8 39.6 110 230 A Q 0 0 212 -6,-0.2 -8,-0.0 0, 0.0 -5,-0.0 0.825 360.0 360.0 87.3 360.0 24.9 36.8 39.9 111 ! 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 0.0 112 235 A Q > 0 0 164 0, 0.0 3,-2.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 106.9 13.4 37.7 42.1 113 236 A P G > + 0 0 23 0, 0.0 3,-1.5 0, 0.0 -16,-0.1 0.712 360.0 72.0 -60.8 -25.9 11.2 34.6 42.3 114 237 A E G 3 S+ 0 0 109 1,-0.3 -20,-0.0 -17,-0.0 -16,-0.0 0.639 87.8 63.9 -63.5 -17.6 8.0 36.7 41.7 115 238 A E G < S+ 0 0 82 -3,-2.1 41,-1.9 40,-0.0 2,-0.3 0.311 97.6 73.2 -89.1 5.2 9.0 37.1 38.0 116 239 A Y E < -D 155 0B 39 -3,-1.5 2,-0.3 39,-0.2 39,-0.2 -0.863 52.4-167.0-124.8 152.8 8.8 33.5 37.2 117 240 A A E -D 154 0B 0 37,-2.5 37,-2.7 -2,-0.3 2,-0.6 -0.978 28.9-122.7-127.1 149.3 6.3 30.7 36.7 118 241 A L E -DE 153 127B 0 9,-2.0 9,-3.6 -2,-0.3 2,-0.3 -0.828 23.5-161.0 -93.4 120.7 7.3 27.0 36.6 119 242 A Q E -DE 152 126B 28 33,-2.8 33,-2.9 -2,-0.6 2,-0.4 -0.708 22.4-120.2 -90.4 147.4 6.4 25.1 33.5 120 243 A V E > -D 151 0B 3 5,-2.6 3,-2.0 -2,-0.3 5,-0.4 -0.773 47.8 -97.0 -78.6 128.9 6.2 21.3 33.4 121 244 A N T 3 S- 0 0 17 29,-1.9 29,-0.1 -2,-0.4 3,-0.1 -0.279 101.4 -1.5 -57.2 126.3 8.8 20.2 30.8 122 245 A G T 3 S+ 0 0 6 1,-0.2 431,-0.6 430,-0.0 2,-0.3 0.621 114.5 95.2 69.0 16.4 7.2 19.5 27.4 123 246 A R B < S-F 552 0C 32 -3,-2.0 2,-1.4 2,-0.2 -3,-0.2 -0.956 81.3-120.2-128.6 155.0 3.6 20.3 28.5 124 247 A H S S+ 0 0 40 427,-2.5 2,-0.3 -2,-0.3 428,-0.1 -0.459 79.4 117.3 -83.1 60.0 1.4 23.4 28.4 125 248 A E - 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0 0 6 -3,-0.7 3,-0.1 -4,-0.4 -31,-0.1 -0.361 64.8-118.0 -66.0 128.0 -35.9 34.4 44.9 385 572 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.296 38.1 -89.9 -60.4 147.2 -32.5 33.8 46.6 386 573 A E - 0 0 113 1,-0.1 23,-0.1 25,-0.1 22,-0.0 -0.255 45.9-137.4 -55.1 144.2 -29.7 32.3 44.5 387 574 A L - 0 0 6 -3,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.694 22.5 -90.7-107.0 158.6 -29.6 28.6 44.6 388 575 A P >> - 0 0 53 0, 0.0 4,-1.8 0, 0.0 3,-1.6 -0.419 42.3-106.4 -65.9 144.1 -26.7 26.1 45.0 389 576 A V H 3> S+ 0 0 20 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.827 120.6 59.9 -32.8 -49.5 -25.1 24.9 41.8 390 577 A L H 3> S+ 0 0 63 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.892 106.9 45.6 -55.6 -43.3 -26.7 21.5 42.3 391 578 A S H <> S+ 0 0 17 -3,-1.6 4,-1.5 1,-0.2 3,-0.5 0.893 108.5 57.7 -65.1 -40.7 -30.2 23.1 42.3 392 579 A A H < S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.880 99.9 57.5 -55.4 -42.6 -29.3 25.2 39.2 393 580 A L H >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.824 106.6 49.7 -61.3 -33.2 -28.4 22.0 37.2 394 581 A E H >< S+ 0 0 63 -4,-0.9 3,-1.9 -3,-0.5 -1,-0.2 0.868 101.8 61.5 -71.0 -37.9 -31.9 20.7 37.8 395 582 A L T 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.562 93.9 65.0 -70.0 -5.3 -33.5 24.0 36.6 396 583 A L T < S+ 0 0 17 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.453 76.2 118.5 -94.9 -3.2 -32.0 23.5 33.2 397 584 A D S X S- 0 0 33 -3,-1.9 3,-2.1 1,-0.1 388,-0.1 -0.156 83.6-110.7 -56.4 156.4 -34.1 20.4 32.6 398 585 A F T 3 S+ 0 0 13 1,-0.3 -1,-0.1 386,-0.1 -3,-0.0 0.827 114.8 76.5 -64.0 -28.6 -36.6 20.6 29.7 399 586 A S T 3 S+ 0 0 30 1,-0.3 -1,-0.3 -197,-0.2 3,-0.2 0.591 92.9 56.5 -46.0 -17.6 -39.3 20.7 32.4 400 587 A F < + 0 0 19 -3,-2.1 -1,-0.3 1,-0.2 -198,-0.1 -0.601 59.7 148.7-124.5 71.4 -38.3 24.3 32.9 401 588 A P + 0 0 26 0, 0.0 35,-0.2 0, 0.0 2,-0.2 0.733 35.6 112.1 -81.3 -17.1 -38.6 25.9 29.5 402 589 A D >> - 0 0 5 -3,-0.2 4,-2.1 1,-0.1 3,-1.2 -0.352 60.7-148.2 -65.5 121.7 -39.5 29.3 30.9 403 590 A C H 3> S+ 0 0 59 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.650 96.0 61.3 -71.5 -17.2 -36.6 31.7 30.1 404 591 A Y H 3> S+ 0 0 67 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.798 109.5 44.5 -71.9 -30.5 -37.2 33.8 33.2 405 592 A V H <> S+ 0 0 3 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.902 112.4 51.8 -72.8 -45.8 -36.4 30.6 35.0 406 593 A G H X S+ 0 0 20 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.926 108.0 51.4 -54.7 -50.8 -33.5 29.9 32.7 407 594 A S H X S+ 0 0 45 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.847 112.0 47.7 -52.4 -40.4 -32.1 33.4 33.4 408 595 A F H X S+ 0 0 9 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.879 111.0 50.6 -68.1 -40.2 -32.4 32.6 37.1 409 596 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.925 112.8 45.2 -68.0 -44.7 -30.7 29.2 36.6 410 597 A I H X S+ 0 0 2 -4,-3.2 4,-1.0 2,-0.2 -1,-0.2 0.926 109.8 57.0 -60.1 -44.8 -27.8 30.8 34.7 411 598 A K H >< S+ 0 0 96 -4,-2.2 3,-0.6 -5,-0.3 -2,-0.2 0.901 111.8 41.7 -51.2 -44.1 -27.8 33.5 37.4 412 599 A S H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.778 110.1 59.3 -75.6 -27.0 -27.3 30.7 40.0 413 600 A L H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.579 80.9 84.8 -76.8 -15.2 -24.8 28.9 37.9 414 601 A R T << S+ 0 0 116 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.773 76.5 67.5 -64.6 -27.1 -22.3 31.7 37.6 415 602 A K T < S+ 0 0 107 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.378 74.5 127.6 -77.0 7.9 -20.5 30.8 40.8 416 603 A L < - 0 0 6 -3,-1.7 2,-0.2 4,-0.1 -3,-0.0 -0.432 62.5-128.2 -58.7 133.8 -19.4 27.6 39.1 417 604 A T > - 0 0 68 -2,-0.1 4,-3.1 1,-0.1 5,-0.1 -0.509 24.5-112.9 -73.1 154.8 -15.6 27.2 39.4 418 605 A D H > S+ 0 0 55 1,-0.2 4,-3.9 2,-0.2 5,-0.2 0.926 119.3 56.8 -59.4 -40.9 -14.0 26.5 36.0 419 606 A D H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 110.7 42.3 -52.3 -49.6 -13.2 23.0 37.2 420 607 A E H > S+ 0 0 64 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.943 113.6 53.3 -62.8 -45.6 -16.9 22.3 37.9 421 608 A L H >X S+ 0 0 1 -4,-3.1 3,-1.3 1,-0.2 4,-1.0 0.942 110.3 46.1 -54.7 -51.0 -17.8 24.0 34.7 422 609 A F H >< S+ 0 0 57 -4,-3.9 3,-0.6 1,-0.3 4,-0.4 0.887 108.0 58.9 -56.5 -39.2 -15.4 21.7 32.8 423 610 A Q H 3< S+ 0 0 23 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.657 117.4 30.5 -67.7 -17.3 -16.8 18.7 34.7 424 611 A Y H XX S+ 0 0 16 -3,-1.3 4,-2.1 -4,-1.0 3,-0.8 0.396 85.6 108.3-121.1 -2.7 -20.4 19.4 33.4 425 612 A L H S+ 0 0 6 -4,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.953 110.4 43.3 -49.1 -53.5 -20.8 17.9 28.2 427 614 A Q H <> S+ 0 0 3 -3,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.896 109.3 54.8 -65.4 -43.3 -24.2 18.4 29.8 428 615 A L H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.896 106.1 54.0 -59.6 -37.1 -24.5 22.1 29.3 429 616 A V H >X S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-0.6 0.916 104.1 55.2 -60.0 -44.1 -23.9 21.7 25.6 430 617 A Q H >< S+ 0 0 6 -4,-1.4 3,-1.1 1,-0.3 -1,-0.2 0.833 100.3 59.7 -58.7 -34.6 -26.8 19.2 25.4 431 618 A V H >X S+ 0 0 2 -4,-1.5 3,-1.8 1,-0.3 4,-0.7 0.739 90.0 70.0 -68.7 -25.1 -29.1 21.8 26.9 432 619 A L H X< S+ 0 0 0 -3,-1.2 3,-0.7 -4,-0.8 -1,-0.3 0.843 90.1 63.6 -59.5 -31.7 -28.3 24.1 24.0 433 620 A K T << S+ 0 0 35 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.646 101.8 50.4 -61.4 -18.2 -30.3 21.6 21.9 434 621 A Y T <4 S+ 0 0 27 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.655 80.6 119.5 -91.9 -24.0 -33.4 22.5 24.0 435 622 A E << - 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0 0 76 -2,-0.1 4,-3.3 1,-0.1 5,-0.3 -0.438 34.1-107.9 -84.3 166.1 -31.6 5.1 54.2 813 1008 A E H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.913 121.6 51.1 -64.3 -41.3 -27.9 4.7 54.5 814 1009 A E H > S+ 0 0 163 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.938 116.9 42.6 -57.6 -45.7 -28.2 1.8 56.9 815 1010 A E H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.985 113.3 48.6 -63.2 -63.6 -30.7 0.2 54.5 816 1011 A A H X S+ 0 0 0 -4,-3.3 4,-3.3 1,-0.3 5,-0.2 0.884 110.8 52.2 -44.9 -50.6 -28.8 0.8 51.2 817 1012 A L H X S+ 0 0 19 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.3 0.907 110.6 48.7 -52.5 -46.5 -25.6 -0.5 52.7 818 1013 A K H X S+ 0 0 148 -4,-1.6 4,-1.4 -3,-0.4 -2,-0.2 0.940 112.3 48.4 -56.2 -51.7 -27.5 -3.6 53.8 819 1014 A H H X S+ 0 0 59 -4,-2.7 4,-1.5 1,-0.2 3,-0.5 0.911 113.0 47.4 -54.4 -46.9 -29.0 -3.9 50.2 820 1015 A F H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.875 105.0 61.3 -67.7 -37.5 -25.5 -3.5 48.7 821 1016 A R H X S+ 0 0 100 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.800 103.5 49.6 -57.7 -34.1 -24.1 -6.0 51.1 822 1017 A V H X S+ 0 0 75 -4,-1.4 4,-3.9 -3,-0.5 5,-0.2 0.962 111.9 46.4 -67.5 -52.9 -26.4 -8.8 49.7 823 1018 A K H X S+ 0 0 53 -4,-1.5 4,-2.0 1,-0.2 -86,-0.2 0.892 113.0 50.4 -57.8 -43.2 -25.5 -8.0 46.1 824 1019 A F H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.897 113.5 45.4 -64.0 -42.0 -21.8 -7.9 47.0 825 1020 A N H X S+ 0 0 47 -4,-1.6 4,-2.3 2,-0.2 3,-0.3 0.950 110.1 54.0 -61.2 -51.7 -22.2 -11.3 48.8 826 1021 A E H X S+ 0 0 91 -4,-3.9 4,-1.7 1,-0.2 -2,-0.2 0.846 108.2 52.7 -46.7 -38.6 -24.2 -12.7 45.8 827 1022 A A H X S+ 0 0 4 -4,-2.0 4,-1.6 -5,-0.2 -88,-0.5 0.880 106.0 50.5 -71.4 -39.3 -21.2 -11.6 43.7 828 1023 A L H < S+ 0 0 57 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.883 106.6 55.9 -66.3 -39.0 -18.6 -13.4 45.8 829 1024 A R H < S+ 0 0 168 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.933 103.5 54.4 -57.1 -48.4 -20.7 -16.6 45.7 830 1025 A E H < S+ 0 0 155 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.892 85.8 94.9 -49.6 -46.7 -20.6 -16.4 41.8 831 1026 A S < 0 0 22 -4,-1.6 -91,-0.1 -91,-0.1 -93,-0.0 -0.358 360.0 360.0 -50.3 118.1 -16.8 -16.3 42.2 832 1027 A W 0 0 256 -2,-0.1 -92,-0.0 0, 0.0 -3,-0.0 0.080 360.0 360.0 8.9 360.0 -16.0 -20.0 41.7