==== 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 2WXI . 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 . 815 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 71.9 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 . 113 13.9 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 . 3 0.4 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 . 45 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 2 2 3 2 2 2 3 3 1 1 1 0 1 2 0 1 0 1 1 0 0 0 0 1 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 . 5 7 2 2 3 2 1 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 0 148 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -29.2 -7.3 41.1 5.5 2 110 A K H > + 0 0 110 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.789 360.0 58.6 -71.4 -24.0 -10.8 40.9 6.9 3 111 A K H > S+ 0 0 161 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 103.3 51.0 -63.9 -43.1 -11.5 38.7 3.9 4 112 A L H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 3,-0.2 0.975 109.5 49.0 -59.8 -53.9 -8.8 36.3 5.1 5 113 A I H X S+ 0 0 31 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.901 110.5 53.1 -54.3 -44.6 -10.3 36.1 8.6 6 114 A N H X S+ 0 0 34 -4,-2.0 4,-2.0 1,-0.2 11,-0.3 0.896 110.1 44.8 -58.9 -45.1 -13.7 35.5 7.1 7 115 A S H X S+ 0 0 61 -4,-2.1 4,-2.1 -3,-0.2 -1,-0.2 0.878 110.3 55.2 -74.7 -34.3 -12.6 32.5 5.0 8 116 A Q H X S+ 0 0 35 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.951 106.9 51.8 -57.0 -48.0 -10.6 31.1 7.8 9 117 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 6,-0.3 0.944 109.2 48.3 -53.6 -48.0 -13.8 31.2 10.0 10 118 A S H < S+ 0 0 26 -4,-2.0 4,-0.5 1,-0.2 5,-0.5 0.906 113.5 48.5 -65.7 -34.2 -15.9 29.3 7.4 11 119 A L H >< S+ 0 0 130 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.925 114.8 45.4 -66.6 -46.6 -13.1 26.8 7.0 12 120 A L H 3< S+ 0 0 11 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 115.7 43.4 -62.9 -43.6 -12.9 26.4 10.8 13 121 A I T 3< S- 0 0 0 -4,-3.0 -1,-0.2 2,-0.3 -2,-0.2 0.416 103.3-124.3 -89.5 3.5 -16.6 26.2 11.6 14 122 A G S < S+ 0 0 45 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.1 0.552 85.2 91.5 60.2 6.3 -17.4 23.8 8.7 15 123 A K S S- 0 0 44 -5,-0.5 2,-0.3 -6,-0.3 -2,-0.3 -1.000 76.2-127.7-128.3 137.2 -20.0 26.3 7.5 16 124 A G > - 0 0 15 -2,-0.4 3,-1.8 1,-0.1 4,-0.4 -0.652 17.1-131.9 -80.6 134.1 -19.3 29.1 4.9 17 125 A L T >> S+ 0 0 15 -2,-0.3 3,-1.3 1,-0.3 4,-1.2 0.706 99.9 73.1 -58.9 -24.5 -20.5 32.6 6.1 18 126 A H H 3> S+ 0 0 120 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.803 88.1 64.1 -63.8 -29.2 -22.3 33.3 2.8 19 127 A E H <> S+ 0 0 77 -3,-1.8 4,-0.5 1,-0.2 -1,-0.3 0.835 96.4 56.2 -64.6 -33.1 -24.8 30.9 4.0 20 128 A F H X4 S+ 0 0 1 -3,-1.3 3,-0.7 -4,-0.4 5,-0.4 0.919 111.1 43.1 -64.6 -42.5 -25.7 33.2 6.9 21 129 A D H >< S+ 0 0 87 -4,-1.2 3,-3.1 1,-0.2 -2,-0.2 0.910 102.1 67.6 -67.7 -43.1 -26.4 36.1 4.5 22 130 A S H 3< S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.689 91.2 64.1 -52.8 -20.7 -28.3 34.0 2.0 23 131 A L T << S- 0 0 93 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.600 86.0-154.6 -82.8 -9.2 -31.0 33.6 4.7 24 132 A R < + 0 0 209 -3,-3.1 -3,-0.1 1,-0.2 -2,-0.1 0.879 38.3 159.6 37.5 51.3 -31.8 37.3 4.6 25 133 A D > - 0 0 40 -5,-0.4 4,-2.5 1,-0.1 -1,-0.2 -0.928 42.2-154.2-116.5 113.0 -33.0 36.7 8.1 26 134 A P H > S+ 0 0 72 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.849 96.2 54.0 -50.5 -43.1 -33.3 39.6 10.6 27 135 A E H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.953 111.1 44.3 -60.3 -50.8 -32.9 37.3 13.7 28 136 A V H > S+ 0 0 0 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.981 114.3 50.4 -55.7 -55.5 -29.6 35.9 12.3 29 137 A N H X S+ 0 0 61 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.901 112.5 46.1 -49.2 -51.7 -28.4 39.3 11.3 30 138 A D H X S+ 0 0 74 -4,-3.1 4,-3.0 2,-0.2 5,-0.4 0.978 113.2 48.1 -57.2 -60.1 -29.1 40.8 14.7 31 139 A F H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.904 112.7 52.7 -38.0 -53.9 -27.6 37.9 16.6 32 140 A R H X S+ 0 0 41 -4,-3.6 4,-2.0 -5,-0.2 -1,-0.2 0.936 114.1 37.8 -55.7 -51.5 -24.6 38.2 14.3 33 141 A T H X S+ 0 0 91 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.855 118.2 46.8 -77.8 -34.1 -23.9 41.8 14.8 34 142 A K H X S+ 0 0 114 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.948 115.1 47.5 -68.1 -45.9 -24.7 42.1 18.5 35 143 A M H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.4 -2,-0.2 0.842 109.2 53.9 -68.2 -32.1 -22.7 39.0 19.3 36 144 A R H X S+ 0 0 73 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.3 0.887 110.2 48.1 -61.6 -38.9 -19.8 40.4 17.2 37 145 A Q H X S+ 0 0 121 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.947 110.4 51.7 -68.1 -45.3 -19.9 43.5 19.2 38 146 A F H X S+ 0 0 53 -4,-2.7 4,-1.7 1,-0.2 3,-0.3 0.924 112.9 42.8 -58.3 -49.3 -19.9 41.6 22.4 39 147 A C H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.898 108.3 57.2 -68.9 -44.0 -16.9 39.4 21.6 40 148 A E H X S+ 0 0 81 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.833 107.6 50.7 -56.8 -30.8 -14.8 42.2 20.2 41 149 A E H X S+ 0 0 117 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.862 108.8 51.1 -74.2 -39.6 -15.2 44.0 23.6 42 150 A A H X S+ 0 0 27 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.979 111.1 47.8 -54.5 -54.8 -14.2 41.0 25.4 43 151 A A H X S+ 0 0 5 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.833 110.0 53.0 -59.4 -34.1 -11.1 40.7 23.2 44 152 A A H X S+ 0 0 60 -4,-1.6 4,-0.5 -5,-0.2 3,-0.3 0.960 108.6 49.2 -65.7 -53.6 -10.3 44.4 23.8 45 153 A H H >< S+ 0 0 127 -4,-2.5 3,-2.1 1,-0.2 4,-0.2 0.966 110.7 53.1 -41.5 -60.7 -10.5 43.9 27.5 46 154 A R H >< S+ 0 0 5 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.811 96.5 63.2 -49.8 -42.1 -8.2 40.9 27.1 47 155 A Q H 3< S+ 0 0 43 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.582 108.1 44.8 -68.9 -7.2 -5.4 42.7 25.1 48 156 A Q T << S+ 0 0 154 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.200 81.8 127.6-120.7 10.1 -4.8 45.0 28.2 49 157 A L < - 0 0 23 -3,-1.9 5,-0.1 -4,-0.2 -3,-0.0 -0.347 66.7-104.8 -57.0 144.3 -4.9 42.4 30.9 50 158 A G > - 0 0 32 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.310 35.9-103.8 -64.0 161.7 -1.9 42.4 33.3 51 159 A W H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.913 123.2 46.5 -63.4 -45.6 0.6 39.6 32.8 52 160 A V H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 113.9 51.7 -58.4 -41.3 -0.5 37.5 35.8 53 161 A E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.840 107.6 52.5 -61.9 -33.6 -4.0 38.1 34.5 54 162 A W H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.903 106.0 52.5 -69.6 -42.7 -3.0 36.9 31.1 55 163 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.963 108.7 51.2 -54.6 -53.6 -1.6 33.7 32.5 56 164 A Q H < S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 114.6 44.2 -47.5 -44.7 -4.9 33.2 34.3 57 165 A Y H < S+ 0 0 7 -4,-1.8 389,-2.5 2,-0.1 390,-0.4 0.932 125.0 30.2 -65.9 -46.6 -6.7 33.7 30.9 58 166 A S H < S+ 0 0 2 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.857 133.3 22.9 -91.9 -37.6 -4.4 31.6 28.8 59 167 A F S < S- 0 0 6 -4,-3.3 -1,-0.3 -5,-0.3 67,-0.2 -0.628 79.8-161.9-128.0 72.5 -3.1 28.9 31.1 60 168 A P - 0 0 23 0, 0.0 66,-0.2 0, 0.0 -4,-0.1 -0.262 32.8 -93.7 -59.6 144.9 -5.6 28.6 33.8 61 169 A L - 0 0 31 1,-0.1 2,-0.6 64,-0.1 66,-0.1 -0.228 27.7-143.0 -62.1 145.6 -4.2 26.8 36.9 62 170 A Q + 0 0 32 64,-0.4 75,-1.9 -3,-0.1 76,-0.4 -0.906 30.6 175.5-115.1 104.5 -4.7 23.1 37.3 63 171 A L B -A 136 0A 37 -2,-0.6 73,-0.2 73,-0.2 72,-0.1 -0.552 34.3-106.4-108.5 163.6 -5.3 22.4 41.0 64 172 A E 0 0 66 71,-2.1 -1,-0.0 -2,-0.2 540,-0.0 -0.670 360.0 360.0 -81.8 144.8 -6.1 19.3 43.1 65 173 A P 0 0 84 0, 0.0 -1,-0.1 0, 0.0 545,-0.1 -0.181 360.0 360.0 -48.4 360.0 -9.8 19.3 44.4 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 0 163 0, 0.0 2,-0.4 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -79.3 6.3 18.6 55.3 68 188 A R - 0 0 138 1,-0.0 21,-3.1 2,-0.0 22,-0.3 -0.902 360.0-121.6-116.2 145.1 7.8 16.2 52.7 69 189 A A E +B 88 0B 41 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.312 28.5 177.8 -72.3 156.7 10.8 16.7 50.5 70 190 A L E -B 87 0B 14 17,-1.3 17,-1.7 -2,-0.1 2,-0.5 -0.895 29.3-122.1-158.6 145.6 11.0 16.6 46.7 71 191 A L E -B 86 0B 93 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.697 31.3-178.3 -75.9 120.9 13.4 17.0 43.8 72 192 A V E -B 85 0B 0 13,-2.3 13,-1.4 -2,-0.5 2,-0.5 -0.980 18.0-145.7-117.8 135.9 12.4 19.7 41.4 73 193 A N E +Bc 84 150B 13 76,-3.5 78,-2.8 -2,-0.4 2,-0.3 -0.897 25.4 177.5 -95.8 126.8 14.4 20.5 38.3 74 194 A V E +Bc 83 151B 1 9,-2.8 9,-2.8 -2,-0.5 2,-0.3 -0.963 8.3 158.9-130.3 149.5 14.4 24.2 37.4 75 195 A K E -Bc 82 152B 33 76,-1.2 78,-3.0 -2,-0.3 2,-0.2 -0.936 35.1-105.3-155.2 170.7 16.0 26.2 34.7 76 196 A F E - c 0 153B 28 5,-0.6 78,-0.1 -2,-0.3 -2,-0.0 -0.614 30.7-110.0-103.6 165.3 15.5 29.5 32.9 77 197 A E S S+ 0 0 103 76,-1.2 77,-0.1 -2,-0.2 -1,-0.1 0.923 107.1 50.3 -58.8 -56.5 14.2 30.1 29.4 78 198 A G S S+ 0 0 82 2,-0.0 -1,-0.1 -3,-0.0 2,-0.1 0.942 109.9 38.0 -47.5 -67.5 17.5 31.4 27.7 79 199 A S - 0 0 53 2,-0.1 -3,-0.1 1,-0.1 -4,-0.0 -0.242 67.1-132.6 -92.9 170.8 20.0 28.7 28.6 80 200 A E + 0 0 167 -5,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.584 69.8 114.3 -96.7 -17.0 20.0 24.8 29.0 81 201 A E - 0 0 137 -6,-0.0 -5,-0.6 1,-0.0 2,-0.3 -0.286 47.5-175.9 -50.6 136.7 21.8 24.8 32.4 82 202 A S E -B 75 0B 56 -7,-0.2 2,-0.4 2,-0.0 -7,-0.2 -0.977 18.8-146.5-142.9 157.1 19.5 23.5 35.1 83 203 A F E -B 74 0B 38 -9,-2.8 -9,-2.8 -2,-0.3 2,-0.7 -0.938 9.7-143.2-124.6 141.1 19.6 23.0 38.9 84 204 A T E -B 73 0B 76 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.838 27.4-169.8-108.0 97.6 17.9 20.3 40.9 85 205 A F E -B 72 0B 28 -13,-1.4 -13,-2.3 -2,-0.7 2,-0.5 -0.463 21.6-133.2 -83.1 154.1 16.6 21.8 44.2 86 206 A Q E +B 71 0B 143 -15,-0.2 2,-0.3 -2,-0.1 -15,-0.2 -0.940 39.3 159.9 -98.3 123.6 15.3 20.2 47.3 87 207 A V E -B 70 0B 11 -17,-1.7 -17,-1.3 -2,-0.5 2,-0.1 -0.956 41.8 -98.7-136.8 159.4 12.1 21.8 48.5 88 208 A S E > -B 69 0B 17 -2,-0.3 3,-1.0 -19,-0.2 -19,-0.2 -0.418 26.1-125.9 -68.8 150.0 9.1 20.9 50.7 89 209 A T T 3 S+ 0 0 10 -21,-3.1 45,-1.8 1,-0.2 46,-0.2 0.646 112.4 61.4 -64.0 -13.8 6.0 19.7 49.1 90 210 A K T 3 S+ 0 0 113 -22,-0.3 -1,-0.2 42,-0.2 2,-0.2 0.573 78.4 111.7 -94.0 -7.8 4.5 22.5 51.2 91 211 A D < - 0 0 45 -3,-1.0 42,-1.5 41,-0.2 43,-0.1 -0.428 67.8-120.7 -73.1 135.8 6.4 25.5 49.6 92 212 A M >> - 0 0 62 40,-0.2 3,-1.1 -2,-0.2 4,-1.0 -0.271 33.4-105.9 -60.6 157.5 4.6 28.2 47.5 93 213 A P H 3> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.813 119.2 66.1 -57.5 -26.9 5.9 28.5 43.9 94 214 A L H 3> S+ 0 0 70 35,-0.3 4,-2.7 1,-0.2 5,-0.1 0.807 94.3 55.1 -69.2 -30.6 7.5 31.7 45.0 95 215 A A H <> S+ 0 0 41 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.888 109.1 48.7 -63.4 -43.2 10.0 29.9 47.4 96 216 A L H X S+ 0 0 1 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.881 110.2 51.2 -64.3 -40.8 11.2 27.8 44.6 97 217 A M H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.936 103.6 57.6 -68.7 -41.2 11.6 30.9 42.5 98 218 A A H X S+ 0 0 29 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.861 109.4 47.9 -49.3 -40.5 13.6 32.6 45.2 99 219 A C H X S+ 0 0 23 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.947 105.5 54.8 -68.4 -55.1 16.0 29.6 45.0 100 220 A A H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-0.9 0.953 112.0 45.3 -39.3 -62.0 16.3 29.5 41.2 101 221 A L H 3X S+ 0 0 26 -4,-2.3 4,-3.0 1,-0.3 -1,-0.2 0.837 108.8 55.1 -62.4 -35.7 17.4 33.1 41.3 102 222 A R H 3X S+ 0 0 159 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.3 0.865 114.3 42.6 -61.4 -35.6 19.8 32.6 44.2 103 223 A K H S+ 0 0 27 -4,-3.0 5,-0.6 1,-0.2 -1,-0.2 0.874 110.7 47.5 -52.3 -47.4 23.1 34.7 40.8 106 226 A T H ><5S+ 0 0 72 -4,-1.4 3,-0.5 -5,-0.2 -1,-0.2 0.938 121.1 34.4 -66.0 -48.0 25.8 32.5 42.2 107 227 A V H 3<5S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.949 123.0 45.1 -69.3 -49.8 26.8 30.8 38.9 108 228 A F T 3<5S- 0 0 163 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.257 116.2-113.0 -83.6 12.8 26.1 33.9 36.7 109 229 A R T < 5 0 0 200 -3,-0.5 -3,-0.2 -4,-0.2 -4,-0.2 0.405 360.0 360.0 72.7 1.1 28.0 36.2 39.2 110 230 A Q < 0 0 207 -5,-0.6 -1,-0.1 -6,-0.3 -5,-0.1 0.988 360.0 360.0 70.2 360.0 24.9 38.2 40.3 111 ! 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 0 137 0, 0.0 3,-1.7 0, 0.0 -14,-0.0 0.000 360.0 360.0 360.0 83.2 13.1 39.6 41.7 113 236 A P G > + 0 0 29 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56.1 -66.9 -36.2 -43.9 32.6 52.3 343 538 A V H X5S+ 0 0 16 -4,-3.0 4,-1.1 -7,-0.2 7,-0.3 0.882 113.8 40.8 -58.0 -40.1 -42.3 30.2 49.8 344 539 A Q H <5S+ 0 0 35 -4,-2.1 -2,-0.3 -5,-0.2 -1,-0.2 0.890 118.9 46.7 -71.3 -42.8 -40.3 33.2 48.7 345 540 A E H <5S+ 0 0 113 -4,-3.7 -2,-0.2 1,-0.1 -3,-0.2 0.865 131.6 12.1 -68.6 -38.5 -39.7 34.5 52.3 346 541 A H H <5S+ 0 0 126 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.1 0.509 132.2 36.4-124.1 -6.7 -38.7 31.2 54.0 347 542 A F ><< + 0 0 135 -4,-1.1 3,-3.3 -5,-0.5 4,-0.2 -0.230 56.4 159.7-143.3 46.1 -37.9 28.6 51.3 348 543 A P G > S+ 0 0 43 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 0.716 72.2 67.6 -52.4 -18.4 -36.3 30.4 48.5 349 544 A E G 3 S+ 0 0 125 1,-0.2 3,-0.4 2,-0.1 4,-0.2 0.567 84.9 70.9 -77.6 -6.1 -34.8 27.0 47.3 350 545 A A G X> + 0 0 27 -3,-3.3 4,-2.1 -7,-0.3 3,-0.5 0.368 60.8 114.4 -93.1 6.9 -38.3 25.6 46.4 351 546 A L H <> S+ 0 0 0 -3,-0.9 4,-3.6 1,-0.2 5,-0.3 0.879 71.9 55.5 -37.5 -57.4 -38.7 27.9 43.3 352 547 A A H 3> S+ 0 0 8 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.928 109.3 47.4 -45.0 -50.9 -38.7 25.0 40.9 353 548 A R H <4 S+ 0 0 146 -3,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.865 114.3 45.5 -64.9 -37.5 -41.5 23.4 42.7 354 549 A L H >X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 3,-1.5 0.930 110.1 55.2 -67.5 -45.6 -43.6 26.6 42.8 355 550 A L H 3< S+ 0 0 2 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.850 104.4 53.9 -57.3 -37.2 -42.8 27.2 39.2 356 551 A L T 3< S+ 0 0 84 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.621 110.7 47.3 -73.7 -14.9 -44.2 23.8 38.3 357 552 A V T <4 S+ 0 0 20 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.678 85.6 106.3 -96.4 -20.0 -47.4 24.7 40.1 358 553 A T S < S- 0 0 6 -4,-1.7 2,-1.1 1,-0.1 3,-0.1 -0.307 79.9-116.8 -60.4 141.3 -48.0 28.2 38.6 359 554 A K > - 0 0 101 1,-0.2 3,-1.1 3,-0.1 7,-0.3 -0.723 32.4-176.6 -85.6 98.8 -50.7 28.2 36.0 360 555 A W T 3 S+ 0 0 40 -2,-1.1 -1,-0.2 1,-0.3 -154,-0.1 0.650 76.9 62.0 -76.2 -15.9 -48.9 29.1 32.8 361 556 A N T 3 S+ 0 0 37 -156,-0.1 2,-0.4 1,-0.1 -129,-0.3 0.104 94.0 70.3 -97.2 20.2 -52.1 29.3 30.7 362 557 A K S X> S- 0 0 96 -3,-1.1 4,-1.6 -127,-0.1 3,-0.6 -0.931 71.3-155.3-135.8 109.3 -53.5 32.1 32.8 363 558 A H H 3> S+ 0 0 61 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 0.826 90.0 59.0 -57.0 -37.5 -51.7 35.4 32.3 364 559 A E H 3> S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 107.6 46.3 -59.7 -42.9 -52.7 36.8 35.7 365 560 A D H <> S+ 0 0 35 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.841 109.5 54.2 -67.5 -36.1 -51.0 34.0 37.6 366 561 A V H X S+ 0 0 9 -4,-1.6 4,-2.0 -7,-0.3 -1,-0.2 0.803 108.7 50.3 -71.4 -26.5 -47.9 34.3 35.3 367 562 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.938 111.4 47.3 -66.7 -51.0 -47.8 38.0 36.4 368 563 A Q H X S+ 0 0 59 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.920 114.0 47.7 -61.1 -42.4 -48.1 37.0 40.0 369 564 A M H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 3,-0.5 0.967 111.3 50.2 -57.6 -55.9 -45.4 34.4 39.7 370 565 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.883 105.3 56.1 -53.8 -46.4 -43.0 36.7 37.8 371 566 A Y H X S+ 0 0 131 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.874 111.7 43.3 -56.0 -43.6 -43.3 39.5 40.3 372 567 A L H >X S+ 0 0 5 -4,-1.5 3,-2.0 -3,-0.5 4,-0.8 0.959 112.1 54.8 -61.4 -49.8 -42.1 37.2 43.1 373 568 A L H >< S+ 0 0 4 -4,-3.0 3,-0.8 1,-0.3 -2,-0.2 0.835 101.6 60.0 -52.0 -35.2 -39.5 35.8 40.7 374 569 A C H 3< S+ 0 0 63 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.674 112.2 35.5 -72.6 -17.7 -38.2 39.3 40.2 375 570 A S H << S+ 0 0 72 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.324 89.1 127.0-111.0 3.8 -37.4 39.9 43.9 376 571 A W << - 0 0 10 -4,-0.8 3,-0.1 -3,-0.8 -31,-0.1 -0.335 62.8-116.3 -67.3 137.4 -36.3 36.3 44.5 377 572 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.305 41.0 -86.0 -69.1 161.6 -32.8 35.9 46.1 378 573 A E - 0 0 103 25,-0.1 23,-0.1 1,-0.1 22,-0.0 -0.377 46.8-139.0 -66.6 147.6 -30.1 34.2 44.1 379 574 A L - 0 0 4 1,-0.1 5,-0.1 -3,-0.1 -1,-0.1 -0.698 23.7 -88.7-105.4 158.7 -30.0 30.3 44.5 380 575 A P >> - 0 0 58 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.325 43.1-106.8 -65.6 150.9 -27.1 27.9 44.9 381 576 A V H 3> S+ 0 0 19 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.833 118.9 58.8 -41.6 -48.0 -25.6 26.6 41.7 382 577 A L H 3> S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.908 108.2 46.0 -53.1 -45.2 -27.1 23.1 42.2 383 578 A S H <> S+ 0 0 18 -3,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.905 110.0 54.2 -66.0 -40.7 -30.6 24.8 42.2 384 579 A A H X S+ 0 0 1 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.877 103.0 56.1 -61.0 -40.2 -29.7 26.9 39.1 385 580 A L H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.858 107.2 51.4 -60.8 -36.7 -28.7 23.7 37.2 386 581 A E H >< S+ 0 0 64 -4,-1.3 3,-1.7 -5,-0.2 -1,-0.2 0.899 103.3 56.9 -64.1 -40.6 -32.2 22.4 37.9 387 582 A L H 3< S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.632 94.5 67.9 -68.3 -11.6 -33.9 25.6 36.6 388 583 A L T << S+ 0 0 18 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.549 75.4 114.3 -83.7 -9.8 -32.1 25.1 33.2 389 584 A D S X S- 0 0 37 -3,-1.7 3,-1.5 -4,-0.2 388,-0.1 -0.145 86.4-108.0 -53.7 154.4 -34.2 22.0 32.6 390 585 A F T 3 S+ 0 0 13 1,-0.3 -1,-0.1 386,-0.2 -3,-0.1 0.709 112.1 81.0 -64.2 -16.8 -36.7 22.3 29.7 391 586 A S T 3 S+ 0 0 31 1,-0.3 -1,-0.3 -189,-0.2 3,-0.1 0.412 89.4 57.4 -63.6 -0.0 -39.5 22.4 32.3 392 587 A F < + 0 0 19 -3,-1.5 -1,-0.3 1,-0.1 -190,-0.1 -0.502 57.6 152.8-135.9 66.7 -38.6 26.1 32.7 393 588 A P + 0 0 25 0, 0.0 35,-0.2 0, 0.0 5,-0.1 0.813 37.0 112.3 -66.1 -30.3 -39.0 27.7 29.3 394 589 A D > - 0 0 6 1,-0.1 4,-1.9 -3,-0.1 3,-0.5 -0.123 62.5-145.3 -49.5 131.2 -39.8 31.2 30.7 395 590 A C H > S+ 0 0 55 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.786 98.5 59.8 -77.4 -23.2 -37.0 33.5 29.9 396 591 A Y H > S+ 0 0 65 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.798 110.6 44.1 -65.7 -27.8 -37.3 35.5 33.1 397 592 A V H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.817 112.8 51.8 -80.3 -36.0 -36.6 32.1 34.7 398 593 A G H X S+ 0 0 23 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.963 110.4 48.1 -62.4 -50.4 -33.9 31.5 32.2 399 594 A S H X S+ 0 0 44 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.886 111.1 51.4 -54.8 -44.3 -32.4 34.9 33.1 400 595 A F H X S+ 0 0 15 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.897 109.2 49.6 -58.8 -42.9 -32.7 34.1 36.8 401 596 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.932 111.2 48.3 -69.0 -46.2 -30.9 30.8 36.4 402 597 A I H X S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.912 109.5 54.5 -58.1 -43.2 -28.0 32.3 34.5 403 598 A K H >< S+ 0 0 99 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.900 110.9 44.0 -61.4 -38.3 -27.8 35.0 37.1 404 599 A S H >< S+ 0 0 1 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.829 110.9 57.7 -72.7 -27.5 -27.4 32.4 39.8 405 600 A L H >< S+ 0 0 0 -4,-1.8 3,-2.4 1,-0.2 -1,-0.2 0.603 80.8 85.3 -78.5 -16.8 -25.0 30.5 37.7 406 601 A R T << S+ 0 0 117 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.881 79.6 65.7 -56.5 -34.0 -22.6 33.4 37.3 407 602 A K T < S+ 0 0 97 -3,-0.8 -1,-0.3 -4,-0.4 2,-0.2 0.484 73.1 124.2 -70.8 2.4 -21.0 32.4 40.6 408 603 A L < - 0 0 5 -3,-2.4 2,-0.1 4,-0.1 -3,-0.0 -0.450 61.9-132.1 -57.7 129.0 -19.8 29.2 38.9 409 604 A T > - 0 0 75 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.401 26.0-105.9 -73.2 160.6 -16.0 28.9 39.2 410 605 A D H > S+ 0 0 61 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.907 120.3 52.9 -59.7 -39.3 -14.1 28.1 36.0 411 606 A D H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 112.4 44.2 -60.3 -44.5 -13.5 24.5 37.2 412 607 A E H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 112.1 52.2 -65.7 -43.9 -17.2 23.9 37.8 413 608 A L H >X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 3,-0.8 0.967 111.5 47.4 -54.3 -52.9 -18.1 25.6 34.6 414 609 A F H >< S+ 0 0 48 -4,-3.2 3,-0.9 1,-0.2 4,-0.4 0.900 107.9 57.5 -53.3 -43.7 -15.7 23.3 32.8 415 610 A Q H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 118.0 29.9 -56.9 -37.8 -17.1 20.3 34.7 416 611 A Y H XX S+ 0 0 16 -4,-2.0 4,-2.2 -3,-0.8 3,-0.5 0.268 87.4 110.0-110.3 8.2 -20.8 20.9 33.4 417 612 A L H S+ 0 0 5 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.888 111.3 45.0 -48.2 -43.8 -21.1 19.5 28.0 419 614 A Q H <> S+ 0 0 1 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.947 110.0 50.9 -72.3 -45.4 -24.5 19.9 29.6 420 615 A L H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.914 110.6 51.8 -58.1 -39.9 -24.8 23.7 29.3 421 616 A V H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 4,-0.4 0.937 107.3 52.6 -59.4 -44.1 -23.9 23.3 25.7 422 617 A Q H >< S+ 0 0 4 -4,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.879 100.4 62.1 -61.9 -35.5 -26.6 20.7 25.2 423 618 A V 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L H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.3 7,-0.2 0.870 103.6 59.5 -52.6 -39.9 -22.1 9.8 45.4 765 968 A R H >< S+ 0 0 28 -4,-1.7 3,-1.4 1,-0.3 4,-0.3 0.850 98.6 59.5 -59.1 -32.9 -25.5 9.6 47.1 766 969 A R H << S+ 0 0 138 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.772 111.8 37.8 -70.5 -22.1 -24.9 12.9 48.7 767 970 A H T S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.3 3,-0.3 0.943 72.0 54.1 -49.4 -50.6 -27.3 12.4 43.9 769 972 A L H > S+ 0 0 91 -4,-0.3 4,-2.9 1,-0.2 5,-0.3 0.856 101.8 58.5 -55.1 -38.3 -29.2 15.5 43.0 770 973 A L H > S+ 0 0 10 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.944 108.4 44.4 -59.5 -46.6 -26.2 16.9 41.1 771 974 A F H X S+ 0 0 2 -4,-1.7 4,-3.3 -3,-0.3 5,-0.3 0.939 113.8 51.3 -60.2 -48.8 -26.1 13.8 38.7 772 975 A L H X S+ 0 0 17 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.913 111.5 45.5 -51.9 -51.5 -29.9 13.9 38.3 773 976 A H H X S+ 0 0 20 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.873 114.9 50.6 -64.2 -34.2 -29.9 17.6 37.4 774 977 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.909 112.2 43.0 -69.9 -44.4 -27.0 16.9 35.1 775 978 A F H X S+ 0 0 0 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.889 107.6 62.6 -69.8 -37.0 -28.6 14.0 33.3 776 979 A A H < S+ 0 0 18 -4,-2.8 3,-0.5 -5,-0.3 -1,-0.2 0.910 106.5 45.3 -48.7 -42.6 -31.8 16.0 33.2 777 980 A L H >< S+ 0 0 0 -4,-1.3 3,-1.6 1,-0.2 -1,-0.2 0.878 105.1 61.4 -76.2 -35.4 -29.9 18.5 31.0 778 981 A M H >< S+ 0 0 4 -4,-1.8 3,-3.2 1,-0.3 5,-0.3 0.722 79.0 83.6 -62.7 -26.1 -28.3 15.8 28.9 779 982 A R G >< S+ 0 0 89 -4,-1.5 3,-0.9 -3,-0.5 -1,-0.3 0.765 79.5 71.3 -50.3 -19.9 -31.7 14.6 27.6 780 983 A A G < S+ 0 0 15 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.668 83.3 71.8 -66.8 -16.6 -31.2 17.5 25.2 781 984 A A G < S- 0 0 6 -3,-3.2 -1,-0.2 5,-0.1 -2,-0.2 0.582 94.3-130.4 -80.9 -14.9 -28.5 15.6 23.3 782 985 A G < + 0 0 55 -3,-0.9 -3,-0.1 -4,-0.3 -2,-0.1 0.487 45.2 162.4 71.4 1.9 -30.6 12.9 21.6 783 986 A L > - 0 0 4 -5,-0.3 3,-2.1 1,-0.2 -1,-0.2 -0.375 40.1-136.6 -49.7 122.8 -28.2 10.1 22.8 784 987 A P T 3 S+ 0 0 97 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.742 101.4 57.0 -67.8 -22.6 -30.5 7.0 22.3 785 988 A E T 3 S+ 0 0 23 1,-0.2 -62,-0.1 2,-0.1 -2,-0.1 0.311 107.5 53.8 -85.2 9.8 -29.7 5.4 25.7 786 989 A L S < S+ 0 0 2 -3,-2.1 -4,-0.3 1,-0.1 -1,-0.2 -0.549 70.1 121.5-142.7 70.6 -30.9 8.7 27.3 787 990 A S - 0 0 72 -3,-0.3 2,-0.3 1,-0.1 -2,-0.1 0.672 67.4 -7.8-114.4 -26.5 -34.4 9.3 26.0 788 991 A C S >> S- 0 0 56 -3,-0.1 3,-1.7 1,-0.0 4,-1.0 -0.907 82.6 -64.9-159.9-174.4 -36.9 9.5 28.9 789 992 A S H 3> S+ 0 0 79 1,-0.3 4,-2.8 -2,-0.3 5,-0.3 0.861 114.9 69.7 -50.5 -47.0 -37.8 9.2 32.6 790 993 A K H 3> S+ 0 0 171 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.745 103.5 46.9 -48.7 -27.2 -37.2 5.4 32.7 791 994 A D H <> S+ 0 0 14 -3,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.894 110.6 47.0 -80.5 -47.4 -33.5 6.3 32.3 792 995 A I H X S+ 0 0 25 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.786 109.3 59.6 -64.9 -27.1 -33.2 9.0 34.9 793 996 A Q H X S+ 0 0 79 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.872 92.7 63.8 -68.5 -37.9 -35.1 6.6 37.1 794 997 A Y H X S+ 0 0 16 -4,-0.7 4,-2.9 -5,-0.3 -2,-0.2 0.950 105.5 46.8 -50.0 -49.1 -32.2 4.1 36.6 795 998 A L H X S+ 0 0 1 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.910 109.0 52.7 -59.5 -48.3 -30.1 6.6 38.5 796 999 A K H <>S+ 0 0 80 -4,-1.8 5,-1.9 1,-0.2 6,-0.3 0.947 113.8 44.8 -48.3 -53.5 -32.6 7.2 41.3 797 1000 A D H ><5S+ 0 0 80 -4,-3.1 3,-1.6 3,-0.2 -2,-0.2 0.943 113.9 48.1 -61.0 -46.8 -32.7 3.4 41.8 798 1001 A S H 3<5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.922 117.1 40.9 -64.2 -44.3 -28.9 3.0 41.7 799 1002 A L T 3<5S- 0 0 0 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.279 101.2-140.0 -81.3 14.8 -28.2 5.8 44.1 800 1003 A A T X 5 + 0 0 7 -3,-1.6 3,-1.2 1,-0.2 8,-0.2 0.829 37.9 170.4 20.6 62.1 -31.2 4.5 46.1 801 1004 A L T 3 < + 0 0 54 -5,-1.9 -1,-0.2 1,-0.3 -4,-0.1 0.789 61.2 61.8 -75.6 -25.4 -31.9 8.2 46.5 802 1005 A G T 3 S+ 0 0 85 -6,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.583 96.6 76.0 -73.2 -11.5 -35.4 7.9 48.0 803 1006 A K S < S- 0 0 93 -3,-1.2 2,-0.1 1,-0.1 0, 0.0 -0.444 86.7 -97.9-100.8 172.4 -34.1 6.0 51.1 804 1007 A T > - 0 0 67 -2,-0.1 4,-2.4 1,-0.1 5,-0.3 -0.435 36.9-112.2 -78.7 161.1 -32.2 6.8 54.2 805 1008 A E H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.775 119.9 53.6 -67.5 -27.9 -28.4 6.4 54.3 806 1009 A E H > S+ 0 0 161 2,-0.1 4,-1.4 3,-0.1 -1,-0.2 0.938 115.5 42.9 -67.8 -42.5 -28.8 3.5 56.9 807 1010 A E H >> S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 3,-1.6 0.997 111.5 48.6 -64.9 -74.8 -31.2 1.9 54.4 808 1011 A A H 3X S+ 0 0 0 -4,-2.4 4,-3.8 1,-0.3 5,-0.2 0.799 111.0 53.7 -32.6 -47.0 -29.4 2.4 51.0 809 1012 A L H 3X S+ 0 0 15 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.3 0.902 109.3 47.9 -58.4 -43.3 -26.2 1.1 52.6 810 1013 A K H X S+ 0 0 65 -4,-2.2 4,-1.9 1,-0.2 3,-0.5 0.964 111.9 48.2 -52.7 -60.1 -29.6 -2.3 50.2 812 1015 A F H 3X S+ 0 0 0 -4,-3.8 4,-2.7 1,-0.2 -1,-0.2 0.858 107.4 57.3 -46.4 -42.9 -26.1 -1.8 48.7 813 1016 A R H 3X S+ 0 0 97 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.902 104.8 50.5 -63.8 -39.8 -24.7 -4.5 51.1 814 1017 A V H < S+ 0 0 49 -4,-2.1 3,-0.9 2,-0.2 -2,-0.2 0.964 105.3 48.0 -62.3 -53.5 -19.5 -11.9 45.9 821 1024 A R H 3< S+ 0 0 172 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.914 107.9 57.1 -45.5 -49.5 -21.5 -15.2 45.6 822 1025 A E H 3< S+ 0 0 167 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.2 0.790 84.7 90.4 -60.3 -30.5 -21.5 -14.6 41.8 823 1026 A S << 0 0 21 -4,-1.4 -91,-0.1 -3,-0.9 -93,-0.0 -0.624 360.0 360.0 -66.4 117.0 -17.7 -14.4 41.9 824 1027 A W 0 0 251 -2,-0.5 -3,-0.1 0, 0.0 -1,-0.1 -0.191 360.0 360.0 27.0 360.0 -16.9 -18.2 41.3