==== 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 2WXF . 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) . 37882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 71.5 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 14.0 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 . 47 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 1 4 1 3 1 3 5 0 1 1 0 1 1 1 1 1 0 1 0 0 0 1 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 7 3 1 4 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 0 142 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -46.8 -7.3 39.9 6.1 2 110 A K H > + 0 0 95 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.863 360.0 50.0 -57.3 -40.0 -11.1 39.9 6.8 3 111 A K H > S+ 0 0 173 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 110.9 49.3 -63.3 -43.0 -11.6 37.7 3.7 4 112 A L H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 111.9 47.8 -61.6 -48.3 -8.9 35.3 4.9 5 113 A I H X S+ 0 0 31 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.891 110.3 52.6 -61.9 -43.3 -10.4 35.1 8.4 6 114 A N H X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 11,-0.3 0.888 111.0 46.1 -58.2 -43.4 -13.9 34.5 7.0 7 115 A S H X S+ 0 0 66 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.877 111.3 53.2 -69.0 -36.7 -12.6 31.6 4.9 8 116 A Q H X S+ 0 0 32 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.908 109.5 47.7 -64.8 -40.4 -10.7 30.2 7.9 9 117 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 6,-0.3 0.945 110.1 52.8 -63.1 -48.0 -13.8 30.2 10.0 10 118 A S H X>S+ 0 0 28 -4,-2.1 5,-1.1 1,-0.2 4,-0.9 0.912 114.0 43.1 -52.4 -47.2 -15.8 28.5 7.3 11 119 A L H <5S+ 0 0 111 -4,-2.2 3,-0.4 2,-0.2 -1,-0.2 0.933 115.8 48.0 -64.7 -47.5 -13.2 25.8 7.0 12 120 A L H <5S+ 0 0 9 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.923 116.1 41.1 -63.7 -45.0 -12.9 25.4 10.8 13 121 A I H <5S- 0 0 0 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.594 106.1-122.2 -83.7 -9.9 -16.6 25.2 11.7 14 122 A G T <5S+ 0 0 47 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.700 82.3 91.4 73.6 22.9 -17.5 23.0 8.7 15 123 A K S - 0 0 13 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.533 18.6-137.1 -70.1 128.7 -19.5 28.2 4.7 17 125 A L T >> S+ 0 0 11 -11,-0.3 4,-1.4 -2,-0.3 3,-1.2 0.794 102.4 69.2 -57.7 -28.0 -20.4 31.6 6.3 18 126 A H H 3> S+ 0 0 123 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.795 88.3 66.0 -60.1 -30.0 -22.2 32.5 3.0 19 127 A E H <> S+ 0 0 76 -3,-1.8 4,-0.6 2,-0.2 -1,-0.3 0.809 99.8 49.6 -63.1 -32.1 -24.8 29.9 4.0 20 128 A F H X4 S+ 0 0 0 -3,-1.2 3,-0.9 -4,-0.5 5,-0.4 0.932 111.6 49.0 -68.3 -46.1 -25.7 32.1 7.0 21 129 A D H >< S+ 0 0 91 -4,-1.4 3,-1.7 1,-0.2 -2,-0.2 0.884 103.9 60.9 -55.7 -42.7 -26.0 35.1 4.6 22 130 A S H 3< S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.705 89.7 69.0 -66.0 -20.9 -28.2 33.1 2.1 23 131 A L T << S- 0 0 86 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.725 83.9-153.0 -67.4 -24.0 -30.9 32.5 4.7 24 132 A R < + 0 0 215 -3,-1.7 -2,-0.1 -4,-0.3 -3,-0.1 0.865 39.0 156.6 46.8 44.2 -31.9 36.2 4.6 25 133 A D > - 0 0 38 -5,-0.4 4,-3.0 1,-0.1 3,-0.2 -0.893 42.0-154.2-108.8 115.6 -33.1 35.6 8.2 26 134 A P H > S+ 0 0 73 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.840 96.9 53.5 -53.2 -41.9 -33.3 38.6 10.6 27 135 A E H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.910 113.1 43.4 -64.2 -42.4 -32.9 36.4 13.7 28 136 A V H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.947 114.6 50.3 -63.9 -48.6 -29.8 34.9 12.3 29 137 A N H X S+ 0 0 65 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.898 113.0 45.9 -58.4 -44.2 -28.5 38.3 11.1 30 138 A D H X S+ 0 0 66 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.891 110.6 53.0 -66.7 -41.4 -29.2 39.9 14.6 31 139 A F H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.937 110.8 47.6 -55.6 -49.5 -27.5 36.9 16.4 32 140 A R H X S+ 0 0 39 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.924 114.7 44.0 -64.0 -45.5 -24.4 37.3 14.3 33 141 A T H X S+ 0 0 92 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.938 117.5 43.6 -66.0 -47.3 -24.0 41.1 14.7 34 142 A K H X S+ 0 0 125 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.909 116.9 45.4 -64.7 -43.1 -24.8 41.1 18.5 35 143 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.850 108.7 56.2 -76.3 -30.2 -22.6 38.1 19.4 36 144 A R H X S+ 0 0 78 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.923 110.3 46.5 -61.7 -42.9 -19.7 39.4 17.2 37 145 A Q H X S+ 0 0 117 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.924 112.1 49.8 -63.1 -49.4 -19.8 42.6 19.3 38 146 A F H X S+ 0 0 55 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.909 115.2 44.2 -53.3 -45.8 -20.0 40.7 22.6 39 147 A C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.882 110.4 52.0 -76.5 -38.9 -17.1 38.5 21.6 40 148 A E H X S+ 0 0 78 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.851 108.3 53.5 -64.3 -33.3 -14.8 41.2 20.2 41 149 A E H X S+ 0 0 128 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.882 107.5 51.1 -66.1 -40.3 -15.3 43.2 23.5 42 150 A A H X S+ 0 0 26 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.893 108.2 52.1 -61.2 -40.4 -14.2 40.1 25.4 43 151 A A H X S+ 0 0 6 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.873 106.5 53.9 -64.0 -39.2 -11.1 40.0 23.1 44 152 A A H < S+ 0 0 63 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.934 109.0 48.5 -59.7 -48.0 -10.3 43.6 23.9 45 153 A H H >< S+ 0 0 120 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.905 109.4 53.4 -53.4 -47.6 -10.4 42.9 27.6 46 154 A R H >< S+ 0 0 5 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.837 99.9 60.2 -63.5 -35.4 -8.1 39.9 27.2 47 155 A Q T 3< S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.595 107.1 46.0 -76.6 -8.7 -5.4 41.7 25.4 48 156 A Q T < S+ 0 0 150 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.252 83.6 131.0-113.4 8.8 -4.8 44.1 28.2 49 157 A L < - 0 0 21 -3,-1.3 -3,-0.1 -4,-0.2 114,-0.0 -0.252 65.0-107.8 -55.7 143.7 -4.8 41.5 31.0 50 158 A G > - 0 0 31 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.307 37.1-101.9 -65.2 161.8 -1.9 41.6 33.4 51 159 A W H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.860 123.0 47.4 -62.7 -35.9 0.6 38.7 33.0 52 160 A V H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 113.1 49.4 -69.1 -42.4 -0.7 36.7 35.9 53 161 A E H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.867 107.5 55.6 -62.3 -36.8 -4.3 37.1 34.6 54 162 A W H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.909 106.6 49.6 -62.7 -42.7 -3.1 36.1 31.2 55 163 A L H X S+ 0 0 1 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.915 108.6 53.5 -60.4 -41.1 -1.8 32.8 32.6 56 164 A Q H < S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.7 44.0 -61.7 -35.4 -5.1 32.3 34.4 57 165 A Y H < S+ 0 0 6 -4,-1.7 397,-2.7 2,-0.1 398,-0.5 0.929 126.4 27.1 -72.9 -51.0 -6.8 32.7 31.0 58 166 A S H < S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.838 134.3 26.8 -89.9 -34.6 -4.5 30.6 28.9 59 167 A F S < S- 0 0 4 -4,-3.2 67,-0.3 -5,-0.3 -1,-0.2 -0.524 78.0-167.5-126.9 64.8 -3.1 28.1 31.3 60 168 A P - 0 0 27 0, 0.0 66,-0.2 0, 0.0 -4,-0.1 -0.231 36.6 -91.7 -57.1 143.2 -5.7 27.7 34.1 61 169 A L - 0 0 29 1,-0.1 2,-0.8 64,-0.1 66,-0.1 -0.222 27.0-143.9 -56.5 139.0 -4.4 25.8 37.2 62 170 A Q + 0 0 31 64,-0.4 75,-2.8 -3,-0.1 76,-0.4 -0.891 33.5 173.8-106.1 98.5 -4.8 22.1 37.4 63 171 A L B -A 136 0A 39 -2,-0.8 73,-0.2 73,-0.3 72,-0.1 -0.716 34.8-103.1-107.3 155.2 -5.4 21.5 41.0 64 172 A E 0 0 62 71,-3.1 -1,-0.1 -2,-0.3 548,-0.0 -0.467 360.0 360.0 -72.2 146.0 -6.3 18.3 43.0 65 173 A P 0 0 76 0, 0.0 -1,-0.1 0, 0.0 548,-0.1 0.246 360.0 360.0 -64.9 360.0 -10.0 18.0 44.1 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 0 164 0, 0.0 2,-0.4 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -70.3 6.0 17.4 55.5 68 188 A R - 0 0 131 2,-0.0 21,-2.4 0, 0.0 22,-0.2 -0.980 360.0-125.0-132.6 135.7 7.6 15.2 52.8 69 189 A A E +B 88 0B 48 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.463 29.3 176.1 -76.7 143.1 10.8 15.7 50.7 70 190 A L E -B 87 0B 11 17,-2.9 17,-2.6 -2,-0.2 2,-0.4 -0.993 27.2-125.6-146.5 147.4 10.8 15.6 46.9 71 191 A L E -B 86 0B 91 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.728 28.6-179.0 -87.7 133.8 13.3 16.2 44.1 72 192 A V E -B 85 0B 0 13,-2.4 13,-3.0 -2,-0.4 2,-0.5 -1.000 19.2-143.6-134.6 131.9 12.4 18.7 41.4 73 193 A N E -Bc 84 150B 12 76,-3.2 78,-3.1 -2,-0.4 2,-0.4 -0.847 22.8-175.7 -94.3 130.9 14.5 19.7 38.4 74 194 A V E +Bc 83 151B 0 9,-2.9 9,-2.8 -2,-0.5 2,-0.3 -0.993 7.9 169.9-131.5 132.6 14.3 23.3 37.4 75 195 A K E -Bc 82 152B 31 76,-2.1 78,-3.1 -2,-0.4 2,-0.3 -0.826 31.9-111.8-128.1 170.5 15.8 25.2 34.4 76 196 A F E - c 0 153B 25 5,-0.6 3,-0.4 -2,-0.3 78,-0.1 -0.755 36.6-103.0-103.5 156.4 15.4 28.6 33.0 77 197 A E S S+ 0 0 104 76,-1.5 77,-0.1 -2,-0.3 -1,-0.1 0.782 113.3 36.1 -49.0 -42.7 13.7 29.3 29.6 78 198 A G S S+ 0 0 79 2,-0.0 -1,-0.2 3,-0.0 2,-0.2 0.819 105.1 69.7 -84.5 -33.1 16.9 29.9 27.5 79 199 A S - 0 0 37 -3,-0.4 -3,-0.2 2,-0.1 0, 0.0 -0.562 60.5-147.7 -97.8 152.0 19.5 27.5 28.9 80 200 A E S S+ 0 0 163 -2,-0.2 -1,-0.1 -5,-0.1 2,-0.1 0.668 74.1 103.3 -82.3 -20.2 19.9 23.7 28.8 81 201 A E - 0 0 132 -6,-0.0 -5,-0.6 1,-0.0 2,-0.3 -0.352 53.0-178.5 -64.7 142.1 21.5 23.8 32.2 82 202 A S E -B 75 0B 56 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.923 21.8-138.6-142.1 164.6 19.3 22.8 35.1 83 203 A F E -B 74 0B 36 -9,-2.8 -9,-2.9 -2,-0.3 2,-0.6 -0.986 11.1-145.0-128.6 134.9 19.3 22.4 38.9 84 204 A T E -B 73 0B 84 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.908 24.8-169.9-104.2 117.3 17.8 19.6 41.0 85 205 A F E -B 72 0B 23 -13,-3.0 -13,-2.4 -2,-0.6 2,-0.6 -0.795 23.8-138.8-107.5 144.1 16.4 20.7 44.3 86 206 A Q E +B 71 0B 144 -2,-0.3 2,-0.2 -15,-0.2 -15,-0.2 -0.925 41.0 157.8 -92.9 119.4 15.1 18.9 47.3 87 207 A V E -B 70 0B 9 -17,-2.6 -17,-2.9 -2,-0.6 2,-0.2 -0.773 39.7 -98.4-126.7 177.3 12.0 20.8 48.5 88 208 A S E > -B 69 0B 13 -2,-0.2 3,-0.7 -19,-0.2 45,-0.3 -0.658 21.2-124.3 -95.4 157.4 9.0 19.8 50.6 89 209 A T T 3 S+ 0 0 8 -21,-2.4 45,-2.0 -2,-0.2 46,-0.2 0.711 115.3 55.2 -65.1 -20.2 5.5 18.7 49.3 90 210 A K T 3 S+ 0 0 122 -22,-0.2 -1,-0.2 42,-0.2 -21,-0.1 0.593 83.4 111.4 -91.5 -11.8 4.2 21.6 51.4 91 211 A D < - 0 0 45 -3,-0.7 42,-2.6 41,-0.1 43,-0.1 -0.341 66.9-124.0 -65.1 140.8 6.4 24.3 49.8 92 212 A M >> - 0 0 67 40,-0.2 4,-1.3 1,-0.1 3,-0.6 -0.388 26.3-108.8 -73.6 160.1 4.8 27.0 47.6 93 213 A P H 3> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.855 118.7 62.5 -57.1 -36.4 5.9 27.6 44.0 94 214 A L H 3> S+ 0 0 71 35,-0.3 4,-1.9 1,-0.2 5,-0.1 0.844 100.4 50.8 -57.2 -40.8 7.5 30.9 45.2 95 215 A A H <> S+ 0 0 39 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.893 111.4 48.2 -65.4 -41.6 9.9 29.1 47.6 96 216 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.911 111.4 49.7 -64.4 -44.1 11.0 26.8 44.7 97 217 A M H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.820 107.3 56.8 -64.9 -32.4 11.4 29.8 42.4 98 218 A A H X S+ 0 0 23 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.946 108.2 44.6 -61.9 -50.5 13.5 31.4 45.2 99 219 A C H X S+ 0 0 28 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.908 112.7 54.0 -59.2 -44.1 16.0 28.5 45.4 100 220 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 110.3 44.9 -54.9 -48.6 16.1 28.4 41.6 101 221 A L H X S+ 0 0 25 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.815 112.0 52.0 -71.1 -32.1 17.0 32.1 41.3 102 222 A R H X S+ 0 0 156 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.883 109.6 50.3 -68.0 -40.4 19.6 31.8 44.1 103 223 A K H X S+ 0 0 101 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.877 109.7 50.4 -63.1 -41.0 21.2 28.9 42.2 104 224 A K H X S+ 0 0 70 -4,-2.0 4,-2.7 1,-0.2 6,-0.3 0.882 107.1 55.4 -61.9 -41.2 21.3 30.9 39.0 105 225 A A H <>S+ 0 0 29 -4,-1.7 5,-1.1 2,-0.2 -1,-0.2 0.806 107.5 48.3 -65.4 -33.9 23.0 33.8 40.8 106 226 A T H ><5S+ 0 0 76 -4,-1.3 3,-1.1 3,-0.2 -2,-0.2 0.973 117.9 38.8 -70.1 -55.2 25.9 31.7 42.1 107 227 A V H 3<5S+ 0 0 89 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.857 120.5 46.8 -62.7 -37.3 26.7 30.0 38.8 108 228 A F T 3<5S- 0 0 170 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.387 113.7-117.9 -88.0 3.2 26.1 33.3 36.9 109 229 A R T < 5 0 0 209 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.543 360.0 360.0 71.2 10.2 28.2 35.3 39.4 110 230 A Q < 0 0 204 -5,-1.1 -1,-0.1 -6,-0.3 -5,-0.1 0.994 360.0 360.0 61.8 360.0 25.1 37.4 40.5 111 ! 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 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-1,-0.2 3,-0.1 -2,-0.2 0.771 110.9 34.2 -62.8 -29.4 -44.3 17.2 54.9 331 515 A L H < S+ 0 0 30 -4,-1.3 2,-2.2 -3,-0.3 -1,-0.2 0.723 99.3 86.3 -92.5 -26.3 -44.7 17.0 51.1 332 516 A E < 0 0 22 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.368 360.0 360.0 -83.9 61.6 -41.9 19.4 50.3 333 517 A R 0 0 199 -2,-2.2 -1,-0.2 -3,-0.1 -2,-0.1 0.026 360.0 360.0-164.0 360.0 -39.0 16.8 50.3 334 ! 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 0.0 335 522 A E 0 0 250 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.4 -45.0 14.0 42.4 336 523 A L - 0 0 48 2,-0.0 2,-0.1 1,-0.0 -5,-0.0 -0.893 360.0-103.7-137.1 157.3 -48.0 15.4 44.3 337 524 A Y > - 0 0 169 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.338 39.1-105.1 -79.3 162.1 -51.8 15.4 44.4 338 525 A E H > S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.869 121.0 48.4 -57.2 -43.7 -54.0 18.1 43.2 339 526 A H H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.859 109.8 53.3 -66.3 -34.9 -54.9 19.4 46.7 340 527 A E H > S+ 0 0 40 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.889 107.5 52.2 -65.2 -40.0 -51.2 19.4 47.6 341 528 A K H X S+ 0 0 68 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.921 106.5 53.4 -57.3 -47.0 -50.5 21.5 44.5 342 529 A D H X S+ 0 0 107 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.844 106.9 51.7 -60.7 -36.0 -53.2 24.0 45.7 343 530 A L H X S+ 0 0 52 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.920 109.4 49.4 -66.9 -46.6 -51.6 24.4 49.1 344 531 A V H < S+ 0 0 0 -4,-1.8 7,-0.2 2,-0.2 -2,-0.2 0.935 114.2 44.7 -57.8 -50.0 -48.1 25.1 47.6 345 532 A W H >< S+ 0 0 43 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.904 111.6 53.8 -62.6 -42.7 -49.6 27.7 45.2 346 533 A K H 3< S+ 0 0 146 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.902 114.2 41.8 -54.8 -43.5 -51.6 29.2 48.1 347 534 A M T >X S+ 0 0 58 -4,-2.4 4,-2.0 1,-0.2 3,-0.9 0.091 75.0 127.8 -97.2 25.2 -48.5 29.6 50.2 348 535 A R H <> S+ 0 0 38 -3,-1.5 4,-2.4 1,-0.3 -1,-0.2 0.798 72.0 54.6 -52.8 -37.5 -46.2 30.9 47.3 349 536 A H H 3> S+ 0 0 77 -3,-0.4 4,-2.9 1,-0.2 -1,-0.3 0.888 110.1 46.5 -62.0 -39.4 -45.1 33.9 49.4 350 537 A E H <>>S+ 0 0 71 -3,-0.9 4,-2.8 2,-0.2 5,-0.6 0.801 107.5 57.3 -76.6 -30.7 -44.0 31.6 52.2 351 538 A V H X5S+ 0 0 0 -4,-2.0 4,-2.3 -7,-0.2 7,-0.3 0.975 113.2 41.3 -56.5 -54.5 -42.3 29.3 49.6 352 539 A Q H <5S+ 0 0 26 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.935 120.6 41.9 -56.5 -53.2 -40.3 32.4 48.6 353 540 A E H <5S+ 0 0 118 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 133.5 14.6 -67.2 -39.6 -39.7 33.7 52.1 354 541 A H H <5S+ 0 0 123 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.566 133.0 33.9-121.2 -13.4 -38.9 30.4 53.9 355 542 A F ><< + 0 0 64 -4,-2.3 3,-2.3 -5,-0.6 -1,-0.1 -0.410 58.9 156.5-138.7 59.6 -38.2 27.8 51.3 356 543 A P G > S+ 0 0 37 0, 0.0 3,-1.2 0, 0.0 -4,-0.1 0.795 73.1 63.6 -59.2 -25.8 -36.5 29.6 48.4 357 544 A E G 3 S+ 0 0 126 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.549 89.3 69.5 -75.9 -5.2 -34.8 26.3 47.3 358 545 A A G X> + 0 0 14 -3,-2.3 4,-1.6 -7,-0.3 3,-0.5 0.266 63.5 114.6 -94.2 10.4 -38.3 24.8 46.6 359 546 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.854 70.7 55.9 -42.7 -50.9 -38.8 27.2 43.6 360 547 A A H 3> S+ 0 0 7 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.901 106.0 51.0 -55.0 -44.3 -38.8 24.3 41.1 361 548 A R H <4 S+ 0 0 89 -3,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.863 111.4 47.7 -61.6 -39.1 -41.7 22.6 42.9 362 549 A L H >X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 3,-0.6 0.851 108.9 54.3 -71.9 -36.5 -43.7 25.9 42.9 363 550 A L H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.903 105.6 53.4 -61.2 -40.8 -43.0 26.4 39.2 364 551 A L T 3< S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.599 108.8 50.2 -73.9 -12.1 -44.4 22.9 38.4 365 552 A V T <4 S+ 0 0 19 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.576 87.6 101.4 -99.3 -11.3 -47.6 23.7 40.2 366 553 A T S << S- 0 0 9 -4,-0.8 2,-1.2 -3,-0.7 3,-0.1 -0.457 78.5-119.9 -75.4 149.2 -48.4 27.0 38.5 367 554 A K > - 0 0 109 1,-0.2 3,-1.6 -2,-0.1 7,-0.3 -0.744 27.8-176.3 -88.1 93.3 -50.9 27.1 35.7 368 555 A W T 3 S+ 0 0 32 -2,-1.2 -1,-0.2 1,-0.3 -162,-0.1 0.613 80.0 68.6 -66.8 -11.9 -48.8 28.4 32.8 369 556 A N T 3 S+ 0 0 30 -164,-0.1 2,-0.4 -133,-0.1 -1,-0.3 0.125 91.1 70.2 -92.6 16.9 -52.1 28.4 30.8 370 557 A K <> - 0 0 97 -3,-1.6 4,-1.8 1,-0.1 5,-0.2 -0.957 67.6-157.3-136.1 119.7 -53.4 31.3 32.9 371 558 A H H > S+ 0 0 46 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.840 92.3 54.3 -70.3 -36.2 -51.8 34.7 32.5 372 559 A E H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 110.5 48.2 -58.3 -44.6 -52.8 36.1 35.9 373 560 A D H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.859 111.0 49.7 -65.6 -39.5 -51.2 33.1 37.6 374 561 A V H X S+ 0 0 8 -4,-1.8 4,-2.9 -7,-0.3 5,-0.2 0.900 108.7 53.6 -65.4 -43.0 -48.0 33.5 35.5 375 562 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.904 109.7 47.6 -55.3 -45.5 -47.9 37.2 36.4 376 563 A Q H X S+ 0 0 62 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.855 112.9 49.1 -67.4 -34.8 -48.1 36.3 40.1 377 564 A M H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.935 111.2 48.7 -68.7 -46.4 -45.4 33.7 39.7 378 565 A L H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.831 105.0 59.0 -62.7 -36.6 -43.0 36.1 37.9 379 566 A Y H X S+ 0 0 130 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.918 110.4 42.5 -58.7 -45.4 -43.5 38.8 40.5 380 567 A L H >< S+ 0 0 2 -4,-1.3 3,-0.9 1,-0.2 -2,-0.2 0.877 111.0 56.9 -63.8 -40.2 -42.2 36.5 43.2 381 568 A L H >< S+ 0 0 8 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.870 98.2 60.2 -63.3 -39.5 -39.4 35.3 40.9 382 569 A C H 3< S+ 0 0 73 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.713 113.5 37.1 -64.1 -21.5 -38.1 38.8 40.4 383 570 A S T << S+ 0 0 69 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.276 90.1 127.0-107.6 10.1 -37.4 39.1 44.1 384 571 A W < - 0 0 9 -3,-1.5 3,-0.1 -4,-0.2 -3,-0.1 -0.452 63.0-116.6 -74.6 132.1 -36.3 35.5 44.5 385 572 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.302 39.0 -91.1 -61.8 154.4 -32.9 34.9 46.2 386 573 A E - 0 0 106 25,-0.1 23,-0.1 1,-0.1 22,-0.0 -0.350 45.8-141.2 -59.9 145.2 -30.2 33.3 44.2 387 574 A L - 0 0 5 1,-0.1 -1,-0.1 -3,-0.1 -30,-0.0 -0.677 22.2 -87.3-108.4 162.6 -30.1 29.5 44.6 388 575 A P > - 0 0 50 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.227 42.4-105.0 -62.2 161.2 -27.2 27.1 44.9 389 576 A V H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.896 119.9 57.6 -53.3 -47.7 -25.6 25.6 41.7 390 577 A L H > S+ 0 0 65 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.924 109.0 45.4 -49.8 -51.8 -27.3 22.2 42.3 391 578 A S H > S+ 0 0 18 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.866 109.1 55.3 -61.3 -42.8 -30.8 23.9 42.2 392 579 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.834 101.8 57.8 -60.2 -34.2 -29.9 26.0 39.2 393 580 A L H >< S+ 0 0 0 -4,-2.0 3,-0.6 -3,-0.3 -1,-0.2 0.848 103.7 53.0 -67.2 -34.1 -29.0 22.9 37.2 394 581 A E H >< S+ 0 0 66 -4,-1.1 3,-2.0 -3,-0.3 -1,-0.2 0.914 102.9 58.7 -61.7 -41.4 -32.5 21.5 37.8 395 582 A L H 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.615 93.5 66.3 -68.7 -13.2 -34.0 24.8 36.5 396 583 A L T << S+ 0 0 18 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.539 77.1 114.7 -82.5 -8.3 -32.3 24.3 33.1 397 584 A D S X S- 0 0 33 -3,-2.0 3,-2.3 -4,-0.2 388,-0.1 -0.257 85.1-111.6 -60.8 149.8 -34.5 21.2 32.5 398 585 A F T 3 S+ 0 0 11 1,-0.3 -1,-0.1 386,-0.2 -195,-0.1 0.698 113.3 77.8 -54.7 -20.9 -36.9 21.4 29.6 399 586 A S T 3 S+ 0 0 34 1,-0.2 -1,-0.3 -197,-0.2 -195,-0.1 0.560 90.6 56.5 -64.3 -9.5 -39.6 21.4 32.3 400 587 A F < + 0 0 17 -3,-2.3 -1,-0.2 1,-0.1 -198,-0.1 -0.553 63.2 153.6-124.2 69.2 -38.8 25.0 32.9 401 588 A P + 0 0 32 0, 0.0 35,-0.1 0, 0.0 -1,-0.1 0.665 31.8 114.2 -75.2 -17.4 -39.3 26.7 29.5 402 589 A D > - 0 0 4 1,-0.1 4,-2.6 -201,-0.1 5,-0.1 -0.244 65.3-136.1 -63.5 140.0 -40.1 30.2 30.6 403 590 A C H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.815 104.0 51.7 -67.7 -33.4 -37.5 32.9 29.6 404 591 A Y H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 111.2 48.1 -67.9 -40.2 -37.5 34.6 33.1 405 592 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.947 111.6 50.7 -62.4 -46.1 -37.0 31.2 34.7 406 593 A G H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.905 111.1 48.3 -57.3 -42.8 -34.1 30.5 32.3 407 594 A S H X S+ 0 0 50 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.883 110.3 50.9 -66.8 -41.8 -32.6 33.9 33.0 408 595 A F H X S+ 0 0 14 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.926 108.4 53.5 -56.7 -47.3 -32.9 33.3 36.8 409 596 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.944 109.7 46.5 -54.8 -53.1 -31.1 29.8 36.3 410 597 A I H X S+ 0 0 3 -4,-2.1 4,-1.2 1,-0.2 3,-0.2 0.906 108.8 55.8 -56.3 -45.9 -28.2 31.4 34.5 411 598 A K H < S+ 0 0 90 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.891 110.5 44.4 -55.9 -41.7 -27.9 34.1 37.1 412 599 A S H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.734 111.1 55.9 -72.8 -22.4 -27.6 31.5 39.9 413 600 A L H >< S+ 0 0 0 -4,-1.5 3,-2.4 -3,-0.2 -2,-0.2 0.618 82.6 86.4 -83.3 -14.0 -25.1 29.5 37.7 414 601 A R T 3< S+ 0 0 116 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.1 0.816 79.6 64.0 -57.8 -30.1 -22.8 32.5 37.4 415 602 A K T < S+ 0 0 97 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.503 74.5 124.2 -73.5 -0.9 -21.1 31.5 40.6 416 603 A L < - 0 0 5 -3,-2.4 2,-0.1 4,-0.1 -3,-0.0 -0.380 63.1-128.6 -54.1 130.0 -19.9 28.2 38.9 417 604 A T > - 0 0 75 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.388 25.3-108.6 -67.8 159.6 -16.1 27.9 39.2 418 605 A D H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.875 121.5 54.4 -56.4 -37.6 -14.3 27.2 35.9 419 606 A D H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 110.3 44.3 -66.8 -41.8 -13.7 23.7 37.1 420 607 A E H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.885 112.8 52.4 -65.4 -42.7 -17.4 23.0 37.9 421 608 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.938 109.3 49.3 -60.0 -46.7 -18.3 24.6 34.6 422 609 A F H >< S+ 0 0 49 -4,-2.9 3,-1.2 1,-0.2 4,-0.4 0.938 108.6 53.5 -56.0 -46.5 -15.9 22.3 32.8 423 610 A Q H 3< S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.850 119.3 34.4 -57.9 -34.9 -17.4 19.3 34.7 424 611 A Y H 3X S+ 0 0 20 -4,-2.0 4,-2.1 -3,-0.2 3,-0.4 0.306 87.2 105.8-101.5 7.5 -20.9 20.2 33.5 425 612 A L H S+ 0 0 5 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.908 111.4 44.2 -55.9 -41.9 -21.3 18.6 28.1 427 614 A Q H > S+ 0 0 3 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.914 110.2 52.8 -73.3 -42.7 -24.7 19.0 29.6 428 615 A L H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.872 110.1 50.1 -60.4 -38.9 -24.9 22.8 29.3 429 616 A V H >< S+ 0 0 0 -4,-2.6 3,-1.0 -5,-0.2 4,-0.4 0.924 108.5 51.9 -62.0 -44.7 -24.1 22.3 25.6 430 617 A Q H >< S+ 0 0 4 -4,-1.9 3,-2.0 -5,-0.2 -2,-0.2 0.908 100.5 63.1 -60.2 -38.4 -26.8 19.7 25.2 431 618 A V H >< S+ 0 0 2 -4,-2.4 3,-2.3 1,-0.3 4,-0.4 0.747 84.9 75.4 -58.3 -24.2 -29.4 22.1 26.8 432 619 A L G X< S+ 0 0 0 -3,-1.0 3,-1.7 -4,-0.7 -1,-0.3 0.840 84.1 67.4 -54.6 -32.3 -28.8 24.5 23.8 433 620 A K G < S+ 0 0 38 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.609 96.6 53.9 -64.3 -15.1 -31.0 21.9 21.9 434 621 A Y G < S+ 0 0 33 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.508 82.8 116.9 -92.9 -10.3 -34.0 23.0 24.1 435 622 A E < - 0 0 50 -3,-1.7 -144,-0.3 -4,-0.4 5,-0.0 -0.364 52.4-157.5 -68.8 141.1 -33.6 26.7 23.3 436 623 A S S S+ 0 0 18 -35,-0.1 2,-0.3 -146,-0.1 -175,-0.2 0.760 76.1 32.7 -84.8 -30.8 -36.5 28.4 21.4 437 624 A Y S S- 0 0 26 1,-0.1 -1,-0.0 -173,-0.1 -173,-0.0 -0.836 74.8-124.8-128.0 163.3 -34.4 31.2 20.0 438 625 A L S S+ 0 0 3 -2,-0.3 2,-0.8 1,-0.1 5,-0.1 0.929 99.8 59.8 -73.7 -47.3 -30.9 31.7 18.8 439 626 A D S S+ 0 0 75 4,-0.1 2,-0.3 -412,-0.1 -1,-0.1 -0.755 76.9 144.5 -86.2 110.1 -30.0 34.7 21.0 440 627 A C > - 0 0 17 -2,-0.8 4,-2.0 1,-0.1 5,-0.2 -0.965 61.6-107.6-148.0 160.7 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-1,-0.1 0.817 103.3 55.5 -57.5 -40.8 -13.2 -14.4 40.7 742 937 A D H 3> S+ 0 0 14 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.811 110.0 48.7 -64.5 -27.7 -9.8 -13.6 39.1 743 938 A F H <> S+ 0 0 14 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.922 109.3 49.9 -77.4 -44.6 -10.2 -10.1 40.6 744 939 A V H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.885 107.4 58.4 -55.4 -39.2 -11.0 -11.4 44.1 745 940 A H H <>S+ 0 0 7 -4,-2.1 5,-2.9 1,-0.2 6,-0.3 0.904 108.4 43.0 -61.8 -44.4 -8.0 -13.7 43.8 746 941 A V H ><5S+ 0 0 1 -4,-1.2 3,-2.1 3,-0.2 -1,-0.2 0.918 112.6 52.6 -64.2 -46.6 -5.6 -10.7 43.3 747 942 A I H 3<5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.888 108.1 52.7 -58.4 -38.9 -7.3 -8.7 46.1 748 943 A Q T ><5S- 0 0 25 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.3 0.274 117.9-116.5 -81.9 11.4 -6.8 -11.7 48.4 749 944 A Q T < 5S- 0 0 59 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.768 70.0 -56.2 61.7 27.6 -3.1 -11.7 47.5 750 945 A G T 3 + 0 0 21 -2,-0.4 4,-2.7 -3,-0.1 5,-0.2 -0.491 7.7 165.1-155.0 72.3 -8.1 -13.7 53.1 755 950 A S H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.819 74.0 64.4 -69.3 -26.4 -11.1 -12.1 54.8 756 951 A E H > S+ 0 0 147 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.944 112.5 33.1 -59.8 -49.3 -8.9 -9.3 56.1 757 952 A K H > S+ 0 0 58 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.909 117.8 53.9 -73.7 -40.6 -8.2 -8.1 52.5 758 953 A F H X S+ 0 0 7 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.903 109.4 47.3 -64.8 -38.4 -11.5 -9.0 51.1 759 954 A E H X S+ 0 0 87 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.818 106.9 56.9 -76.3 -27.3 -13.5 -7.1 53.7 760 955 A R H X S+ 0 0 139 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.911 108.2 49.4 -59.6 -45.5 -11.2 -4.0 53.3 761 956 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 108.3 51.8 -58.1 -46.3 -12.2 -4.1 49.6 762 957 A R H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.914 107.6 54.3 -56.1 -43.2 -15.9 -4.4 50.6 763 958 A G H X S+ 0 0 29 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.910 106.2 51.1 -57.5 -44.5 -15.4 -1.4 52.8 764 959 A Y H X S+ 0 0 21 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.937 110.5 49.4 -59.2 -45.9 -14.0 0.6 49.9 765 960 A C H X S+ 0 0 0 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0 55 -3,-1.1 4,-1.5 -4,-0.7 3,-1.0 0.033 81.8 121.8-110.1 23.9 -24.6 13.5 45.6 776 971 A G H <> + 0 0 1 -3,-1.6 4,-2.6 1,-0.3 5,-0.2 0.866 68.6 57.0 -56.5 -42.5 -27.5 11.6 43.9 777 972 A L H 3> S+ 0 0 86 -4,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.798 102.6 56.4 -59.5 -32.5 -29.4 14.7 43.0 778 973 A L H <> S+ 0 0 11 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.931 108.9 45.0 -64.3 -49.7 -26.4 15.9 41.1 779 974 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 -7,-0.2 5,-0.2 0.935 115.1 49.3 -59.2 -44.8 -26.3 12.8 38.9 780 975 A L H X S+ 0 0 15 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.923 111.9 47.3 -61.2 -44.6 -30.1 12.9 38.4 781 976 A H H X S+ 0 0 23 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.912 114.6 47.6 -63.0 -41.8 -30.1 16.6 37.4 782 977 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.907 112.3 47.5 -67.3 -43.4 -27.2 16.0 35.0 783 978 A F H X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.881 108.6 56.5 -63.8 -37.1 -28.8 12.9 33.4 784 979 A A H >< S+ 0 0 21 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.911 108.3 46.3 -60.0 -45.5 -32.0 14.9 33.1 785 980 A L H >< S+ 0 0 1 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.860 105.0 63.2 -62.3 -34.6 -30.2 17.6 31.1 786 981 A M H >< S+ 0 0 4 -4,-1.6 3,-2.0 1,-0.3 5,-0.4 0.625 78.8 82.0 -69.5 -18.4 -28.6 14.8 29.0 787 982 A R G X< S+ 0 0 91 -3,-0.8 3,-0.8 -4,-0.8 -1,-0.3 0.686 80.1 70.9 -54.2 -19.8 -31.9 13.7 27.7 788 983 A A G < S+ 0 0 14 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.749 83.5 69.5 -67.8 -25.2 -31.4 16.6 25.3 789 984 A A G < S- 0 0 8 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.677 97.1-132.5 -70.7 -21.8 -28.6 14.6 23.5 790 985 A G < + 0 0 52 -3,-0.8 -3,-0.1 -4,-0.3 5,-0.1 0.656 41.0 167.4 73.1 18.3 -31.0 12.1 21.9 791 986 A L > - 0 0 2 -5,-0.4 3,-1.8 3,-0.3 -1,-0.2 -0.451 38.6-134.8 -57.0 128.8 -28.9 9.1 23.0 792 987 A P T 3 S+ 0 0 103 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.773 104.5 54.2 -65.5 -20.6 -31.1 6.0 22.4 793 988 A E T 3 S+ 0 0 30 1,-0.3 2,-0.2 2,-0.1 -62,-0.1 0.389 111.7 46.0 -90.9 4.6 -30.1 4.6 25.8 794 989 A L S < S+ 0 0 0 -3,-1.8 -3,-0.3 -8,-0.1 -4,-0.3 -0.667 77.8 113.7-143.6 81.2 -31.1 7.8 27.6 795 990 A S + 0 0 67 -3,-0.3 2,-0.2 -2,-0.2 -2,-0.1 0.539 69.4 16.6-129.2 -23.4 -34.5 8.7 26.1 796 991 A C S >> S- 0 0 54 -3,-0.1 4,-1.2 1,-0.0 3,-0.8 -0.798 84.9 -80.9-148.4-176.0 -37.2 8.4 28.7 797 992 A S H 3> S+ 0 0 83 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.799 117.3 66.4 -65.8 -33.2 -38.1 8.2 32.4 798 993 A K H 3> S+ 0 0 155 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.765 100.5 50.2 -62.4 -29.4 -37.3 4.5 32.5 799 994 A D H <> S+ 0 0 10 -3,-0.8 4,-0.9 2,-0.2 3,-0.3 0.906 112.8 44.4 -71.9 -47.5 -33.7 5.3 31.9 800 995 A I H X S+ 0 0 16 -4,-1.2 4,-1.8 1,-0.2 3,-0.3 0.845 107.2 61.5 -64.2 -36.8 -33.5 8.0 34.7 801 996 A Q H X S+ 0 0 72 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.817 94.5 63.0 -61.4 -33.7 -35.4 5.5 37.0 802 997 A Y H X S+ 0 0 17 -4,-0.7 4,-2.5 -3,-0.3 -1,-0.2 0.932 105.0 45.3 -54.7 -48.2 -32.5 3.1 36.6 803 998 A L H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.3 -2,-0.2 0.887 110.5 54.0 -64.1 -41.9 -30.2 5.7 38.4 804 999 A K H X>S+ 0 0 81 -4,-1.8 5,-1.2 1,-0.2 4,-0.7 0.912 113.0 43.5 -55.1 -47.1 -32.8 6.3 41.1 805 1000 A D H <5S+ 0 0 76 -4,-2.5 3,-0.3 2,-0.2 -2,-0.2 0.871 112.5 51.8 -69.5 -39.4 -33.0 2.6 41.8 806 1001 A S H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.867 116.6 39.6 -67.8 -34.7 -29.3 2.1 41.7 807 1002 A L H <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.534 97.1-144.1 -89.6 -7.3 -28.6 5.0 44.2 808 1003 A A T ><5 + 0 0 6 -4,-0.7 3,-1.4 -3,-0.3 -3,-0.2 0.883 33.4 167.8 43.6 53.9 -31.7 4.0 46.3 809 1004 A L T 3 < + 0 0 60 -5,-1.2 -1,-0.1 1,-0.3 -4,-0.1 0.716 66.1 63.5 -73.0 -22.1 -32.5 7.7 47.0 810 1005 A G T 3 S+ 0 0 87 -6,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.529 97.1 79.1 -74.8 -5.5 -35.9 7.0 48.5 811 1006 A K S < S- 0 0 87 -3,-1.4 2,-0.1 1,-0.1 0, 0.0 -0.593 87.6-105.5-101.9 161.1 -34.2 5.0 51.3 812 1007 A T > - 0 0 75 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.375 41.9-107.1 -67.0 162.1 -32.4 6.0 54.4 813 1008 A E H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.871 122.7 54.1 -61.7 -32.9 -28.6 5.5 54.2 814 1009 A E H > S+ 0 0 154 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 110.1 43.6 -64.9 -48.7 -29.1 2.5 56.5 815 1010 A E H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 113.4 52.5 -62.4 -44.7 -31.7 0.8 54.2 816 1011 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.909 110.2 47.4 -58.5 -43.5 -29.7 1.6 51.1 817 1012 A L H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.834 110.2 52.8 -70.1 -33.9 -26.5 0.1 52.5 818 1013 A K H X S+ 0 0 155 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.942 112.4 45.7 -60.0 -48.7 -28.5 -3.0 53.6 819 1014 A H H X S+ 0 0 65 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.922 111.9 50.2 -62.1 -48.1 -29.7 -3.3 50.0 820 1015 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.885 107.5 56.0 -58.4 -39.9 -26.3 -2.7 48.5 821 1016 A R H X S+ 0 0 101 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.879 104.3 52.1 -62.5 -38.3 -24.9 -5.4 50.8 822 1017 A V H X S+ 0 0 74 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.926 112.1 46.4 -65.0 -42.2 -27.4 -8.0 49.5 823 1018 A K H X S+ 0 0 47 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.866 114.1 48.0 -64.7 -40.6 -26.4 -7.2 46.0 824 1019 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.926 113.2 47.5 -66.8 -46.2 -22.7 -7.4 46.9 825 1020 A N H X S+ 0 0 48 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.881 110.5 52.5 -62.8 -37.7 -23.2 -10.7 48.8 826 1021 A E H X S+ 0 0 108 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.848 108.6 51.2 -64.5 -35.9 -25.1 -12.1 45.8 827 1022 A A H X S+ 0 0 6 -4,-1.7 4,-2.0 2,-0.2 -88,-0.3 0.874 107.6 52.1 -67.5 -40.4 -22.2 -11.1 43.5 828 1023 A L H < S+ 0 0 56 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.865 111.2 47.0 -63.6 -38.8 -19.7 -12.9 45.8 829 1024 A R H < S+ 0 0 166 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.7 51.3 -69.2 -45.2 -21.8 -16.1 45.7 830 1025 A E H < S+ 0 0 154 -4,-1.9 2,-0.4 -5,-0.2 -2,-0.2 0.866 85.8 98.3 -55.3 -40.0 -22.1 -15.9 42.0 831 1026 A S < 0 0 21 -4,-2.0 -91,-0.1 1,-0.3 -93,-0.0 -0.382 360.0 360.0 -55.9 107.7 -18.3 -15.5 41.9 832 1027 A W 0 0 243 -2,-0.4 -1,-0.3 0, 0.0 -2,-0.1 0.145 360.0 360.0 29.6 360.0 -17.6 -19.1 41.1