==== 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 2WXL . 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 . 823 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 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 . 117 14.2 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 . 52 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 36.6 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 1 2 4 1 3 2 3 4 0 1 1 0 1 1 1 1 0 2 0 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 . 4 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 0 143 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.5 -7.1 7.8 5.7 2 110 A K H > + 0 0 103 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.885 360.0 49.6 -55.1 -38.9 -10.8 8.1 6.8 3 111 A K H > S+ 0 0 171 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.863 109.4 51.1 -62.0 -41.6 -11.5 5.9 3.7 4 112 A L H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 108.0 51.5 -66.9 -42.8 -8.8 3.4 4.8 5 113 A I H X S+ 0 0 34 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.909 109.3 51.4 -56.2 -46.7 -10.2 3.1 8.4 6 114 A N H X S+ 0 0 34 -4,-1.7 4,-2.2 1,-0.2 11,-0.3 0.858 109.7 47.9 -64.1 -40.2 -13.7 2.4 7.0 7 115 A S H X S+ 0 0 64 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.879 112.3 50.6 -68.2 -37.6 -12.4 -0.4 4.7 8 116 A Q H X S+ 0 0 28 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.922 110.1 49.5 -64.1 -43.7 -10.5 -1.8 7.7 9 117 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.943 110.3 50.8 -59.4 -47.1 -13.7 -1.7 9.9 10 118 A S H X>S+ 0 0 28 -4,-2.2 5,-1.4 1,-0.2 4,-0.8 0.907 114.2 44.5 -57.4 -46.0 -15.7 -3.4 7.2 11 119 A L H ><5S+ 0 0 115 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.958 115.0 48.5 -61.9 -51.9 -13.1 -6.1 6.9 12 120 A L H 3<5S+ 0 0 10 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.921 115.4 40.7 -56.0 -48.2 -12.7 -6.5 10.8 13 121 A I H 3<5S- 0 0 0 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.569 107.9-119.2 -85.1 -9.1 -16.4 -6.8 11.7 14 122 A G T <<5S+ 0 0 42 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.768 83.4 85.9 75.3 30.8 -17.3 -9.0 8.7 15 123 A K S - 0 0 14 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.470 16.8-139.6 -70.0 129.5 -19.4 -3.6 4.7 17 125 A L T >> S+ 0 0 11 -11,-0.3 4,-1.5 1,-0.3 3,-1.4 0.834 101.7 68.9 -56.2 -35.0 -20.3 -0.2 6.2 18 126 A H H 3> S+ 0 0 123 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.800 90.0 65.2 -52.3 -30.0 -22.0 0.7 2.9 19 127 A E H <4 S+ 0 0 76 -3,-1.7 4,-0.4 2,-0.2 -1,-0.3 0.852 98.9 50.0 -64.4 -36.3 -24.6 -2.0 3.9 20 128 A F H X4 S+ 0 0 0 -3,-1.4 3,-1.1 -4,-0.5 5,-0.4 0.917 110.6 50.7 -64.8 -44.8 -25.7 0.2 6.9 21 129 A D H >< S+ 0 0 92 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.886 102.4 60.9 -56.8 -42.9 -26.0 3.2 4.5 22 130 A S T 3< S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.600 89.3 70.5 -66.0 -13.6 -28.2 1.2 2.1 23 131 A L T < S- 0 0 86 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.670 84.8-152.2 -75.7 -17.9 -30.9 0.6 4.7 24 132 A R < + 0 0 215 -3,-1.8 -2,-0.1 -4,-0.3 -3,-0.1 0.867 39.9 155.8 42.5 46.6 -31.9 4.3 4.6 25 133 A D > - 0 0 40 -5,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.900 42.4-156.1-110.3 113.6 -33.0 3.8 8.2 26 134 A P H > S+ 0 0 71 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.857 96.3 53.7 -52.9 -38.8 -33.2 6.8 10.6 27 135 A E H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.919 112.5 43.2 -66.3 -43.9 -32.8 4.5 13.7 28 136 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 115.8 49.5 -60.9 -48.3 -29.6 3.0 12.3 29 137 A N H X S+ 0 0 62 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.864 113.3 46.6 -60.4 -40.5 -28.4 6.4 11.2 30 138 A D H X S+ 0 0 59 -4,-3.1 4,-2.5 -5,-0.2 5,-0.4 0.958 111.7 50.2 -65.7 -52.4 -29.1 7.9 14.6 31 139 A F H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 5,-0.4 0.924 110.9 50.8 -48.6 -48.0 -27.4 5.0 16.4 32 140 A R H X S+ 0 0 37 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.885 113.7 40.9 -67.7 -40.6 -24.3 5.3 14.3 33 141 A T H X S+ 0 0 95 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.906 118.0 45.4 -74.2 -45.2 -23.8 9.1 14.7 34 142 A K H X S+ 0 0 124 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.944 117.2 44.2 -59.5 -49.7 -24.6 9.2 18.5 35 143 A M H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.4 5,-0.2 0.885 109.9 55.0 -70.1 -37.0 -22.5 6.1 19.3 36 144 A R H X S+ 0 0 74 -4,-1.7 4,-2.2 -5,-0.4 -1,-0.2 0.886 110.5 47.4 -58.1 -40.7 -19.6 7.3 17.2 37 145 A Q H X S+ 0 0 125 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.943 111.8 48.7 -64.3 -54.1 -19.6 10.6 19.2 38 146 A F H X S+ 0 0 48 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.905 114.1 47.3 -48.4 -44.8 -19.8 8.8 22.5 39 147 A C H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.883 109.7 51.3 -75.0 -37.8 -16.9 6.5 21.5 40 148 A E H X S+ 0 0 78 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.854 107.5 53.9 -64.6 -38.5 -14.7 9.3 20.1 41 149 A E H X S+ 0 0 121 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.909 106.3 53.3 -57.6 -44.1 -15.1 11.2 23.4 42 150 A A H X S+ 0 0 26 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.891 108.7 49.9 -59.5 -39.3 -13.9 8.1 25.3 43 151 A A H X S+ 0 0 5 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.896 107.1 52.9 -69.1 -40.3 -10.8 8.0 23.0 44 152 A A H >X S+ 0 0 63 -4,-2.2 3,-0.6 1,-0.2 4,-0.6 0.974 110.8 49.2 -54.5 -52.2 -10.0 11.7 23.6 45 153 A H H >< S+ 0 0 123 -4,-2.2 3,-0.8 1,-0.3 4,-0.2 0.853 109.2 52.2 -52.4 -43.0 -10.2 11.0 27.4 46 154 A R H >< S+ 0 0 6 -4,-1.8 3,-1.3 1,-0.2 -1,-0.3 0.836 98.2 64.8 -67.2 -33.1 -7.9 8.0 27.1 47 155 A Q H << S+ 0 0 43 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.684 106.4 42.1 -71.9 -17.5 -5.1 9.8 25.2 48 156 A Q T << S+ 0 0 149 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.302 83.4 131.7-108.4 5.6 -4.3 12.1 28.1 49 157 A L < - 0 0 26 -3,-1.3 -3,-0.0 -4,-0.2 114,-0.0 -0.222 66.2-102.4 -54.7 145.8 -4.5 9.5 30.9 50 158 A G > - 0 0 33 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.286 37.9-103.8 -61.3 158.2 -1.7 9.5 33.4 51 159 A W H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.865 122.8 46.5 -61.6 -38.0 0.8 6.6 32.8 52 160 A V H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 114.1 49.5 -66.3 -40.1 -0.5 4.5 35.7 53 161 A E H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.896 108.6 53.5 -63.0 -41.9 -4.1 5.1 34.5 54 162 A W H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.904 108.6 49.0 -56.4 -47.2 -3.0 4.2 31.0 55 163 A L H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.883 107.9 54.6 -58.9 -43.1 -1.6 0.9 32.3 56 164 A Q H < S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.5 42.9 -60.7 -36.8 -4.9 0.3 34.2 57 165 A Y H < S+ 0 0 8 -4,-1.8 398,-2.8 2,-0.1 399,-0.4 0.905 125.2 31.8 -71.4 -47.0 -6.7 0.7 30.9 58 166 A S H < S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.841 133.6 23.1 -87.4 -36.0 -4.4 -1.3 28.8 59 167 A F S < S- 0 0 5 -4,-3.4 67,-0.3 -5,-0.2 -1,-0.2 -0.606 79.4-162.8-132.4 69.3 -3.1 -4.0 31.2 60 168 A P - 0 0 27 0, 0.0 66,-0.2 0, 0.0 -4,-0.1 -0.224 35.4 -92.3 -56.8 144.9 -5.7 -4.3 34.0 61 169 A L - 0 0 32 1,-0.1 2,-0.8 64,-0.1 66,-0.1 -0.198 28.2-141.7 -64.2 147.3 -4.2 -6.0 37.0 62 170 A Q + 0 0 34 64,-0.4 75,-2.4 -3,-0.1 76,-0.5 -0.857 33.3 172.6-113.9 96.4 -4.6 -9.8 37.4 63 171 A L B -A 136 0A 33 -2,-0.8 73,-0.2 73,-0.3 72,-0.1 -0.703 36.6-104.2-108.2 153.9 -5.3 -10.5 41.0 64 172 A E 0 0 61 71,-2.5 -1,-0.1 -2,-0.3 549,-0.0 -0.489 360.0 360.0 -68.1 144.8 -6.2 -13.6 43.1 65 173 A P 0 0 73 0, 0.0 -1,-0.1 0, 0.0 549,-0.0 -0.233 360.0 360.0 -52.1 360.0 -9.9 -13.6 44.2 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 0 162 0, 0.0 2,-0.3 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -50.9 5.6 -15.1 55.1 68 188 A R - 0 0 132 2,-0.0 21,-1.9 0, 0.0 22,-0.3 -0.936 360.0-121.8-125.6 149.0 7.5 -17.0 52.5 69 189 A A E +B 88 0B 55 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.602 35.6 177.7 -78.4 146.8 10.9 -16.6 50.8 70 190 A L E -B 87 0B 14 17,-2.1 17,-2.7 -2,-0.2 2,-0.3 -0.940 25.4-133.5-154.7 139.7 10.9 -16.4 47.0 71 191 A L E -B 86 0B 93 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.690 25.3-178.0 -88.5 138.6 13.4 -15.9 44.2 72 192 A V E -B 85 0B 1 13,-2.2 13,-2.6 -2,-0.3 2,-0.5 -0.997 18.9-142.4-137.3 138.4 12.6 -13.4 41.4 73 193 A N E -Bc 84 150B 12 76,-3.1 78,-3.2 -2,-0.4 2,-0.4 -0.902 22.3-175.1-103.3 129.3 14.5 -12.5 38.3 74 194 A V E +Bc 83 151B 0 9,-3.0 9,-2.7 -2,-0.5 2,-0.3 -0.988 7.9 170.3-130.5 133.8 14.5 -8.8 37.3 75 195 A K E -Bc 82 152B 27 76,-1.8 78,-3.1 -2,-0.4 2,-0.3 -0.839 32.3-112.1-129.7 166.2 15.9 -7.1 34.3 76 196 A F E > - c 0 153B 23 5,-0.7 3,-1.2 -2,-0.3 78,-0.1 -0.744 38.3-100.5-100.9 155.2 15.6 -3.6 32.8 77 197 A E T 3 S+ 0 0 101 76,-1.6 2,-0.7 -2,-0.3 77,-0.1 0.847 114.5 31.3 -40.3 -63.0 13.8 -2.9 29.5 78 198 A G T 3 S+ 0 0 83 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.342 103.8 98.3-100.0 55.2 16.8 -2.6 27.1 79 199 A S < - 0 0 35 -3,-1.2 -3,-0.0 -2,-0.7 -4,-0.0 -0.997 56.5-157.6-148.4 142.5 19.3 -5.0 28.8 80 200 A E S S+ 0 0 183 -2,-0.3 2,-0.2 -5,-0.1 -1,-0.1 0.771 76.7 94.1 -78.7 -30.9 20.7 -8.5 28.6 81 201 A E + 0 0 111 -6,-0.0 -5,-0.7 -5,-0.0 2,-0.3 -0.459 53.5 175.8 -73.0 130.1 21.8 -8.2 32.3 82 202 A S E -B 75 0B 60 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.905 16.6-147.3-130.3 160.1 19.4 -9.6 34.9 83 203 A F E -B 74 0B 27 -9,-2.7 -9,-3.0 -2,-0.3 2,-0.5 -0.981 7.1-143.5-129.5 140.3 19.5 -10.0 38.7 84 204 A T E -B 73 0B 89 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.923 25.1-177.2-103.8 125.5 18.0 -12.6 40.9 85 205 A F E -B 72 0B 29 -13,-2.6 -13,-2.2 -2,-0.5 2,-0.5 -0.916 25.1-131.0-118.4 145.2 16.7 -11.3 44.3 86 206 A Q E +B 71 0B 146 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.864 39.7 160.9 -90.0 128.2 15.2 -13.0 47.3 87 207 A V E -B 70 0B 10 -17,-2.7 -17,-2.1 -2,-0.5 2,-0.3 -0.833 37.5-102.0-132.6 176.5 12.1 -11.3 48.5 88 208 A S E > -B 69 0B 18 -2,-0.3 3,-1.5 -19,-0.2 45,-0.3 -0.793 22.6-124.4-101.4 147.5 9.1 -12.2 50.6 89 209 A T T 3 S+ 0 0 9 -21,-1.9 45,-2.0 -2,-0.3 46,-0.2 0.740 113.8 57.8 -54.6 -24.1 5.6 -13.1 49.3 90 210 A K T 3 S+ 0 0 130 -22,-0.3 -1,-0.3 42,-0.2 45,-0.0 0.649 83.7 106.0 -85.5 -15.6 4.4 -10.2 51.5 91 211 A D < - 0 0 49 -3,-1.5 42,-2.5 41,-0.1 43,-0.2 -0.273 70.0-123.0 -62.6 148.9 6.6 -7.5 49.9 92 212 A M >> - 0 0 69 40,-0.2 4,-1.5 41,-0.1 3,-0.5 -0.529 25.8-109.3 -83.4 159.1 5.0 -5.0 47.5 93 213 A P H 3> S+ 0 0 1 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.850 118.6 64.0 -55.7 -34.7 6.2 -4.5 43.9 94 214 A L H 3> S+ 0 0 76 35,-0.3 4,-2.1 2,-0.2 5,-0.1 0.904 100.5 48.6 -54.8 -48.0 7.7 -1.2 45.0 95 215 A A H <> S+ 0 0 42 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.898 112.7 49.4 -59.9 -41.8 10.1 -2.9 47.5 96 216 A L H X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.932 110.0 49.9 -62.1 -46.6 11.1 -5.2 44.7 97 217 A M H X S+ 0 0 8 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.824 106.4 57.1 -63.4 -31.6 11.7 -2.3 42.3 98 218 A A H X S+ 0 0 23 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.921 107.0 48.2 -63.6 -46.0 13.8 -0.6 45.0 99 219 A C H X S+ 0 0 27 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.933 110.2 52.5 -55.5 -49.8 16.1 -3.7 45.1 100 220 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.884 112.0 44.6 -57.1 -43.8 16.4 -3.7 41.3 101 221 A L H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.870 111.6 52.1 -71.6 -38.8 17.4 -0.0 41.2 102 222 A R H X S+ 0 0 155 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.875 112.2 47.5 -63.3 -38.2 19.9 -0.4 44.0 103 223 A K H X S+ 0 0 90 -4,-2.6 4,-1.9 2,-0.2 3,-0.3 0.923 111.1 50.6 -67.5 -46.1 21.4 -3.3 42.1 104 224 A K H X S+ 0 0 65 -4,-2.4 4,-2.9 1,-0.2 6,-0.2 0.883 109.2 51.9 -55.9 -42.9 21.5 -1.3 38.9 105 225 A A H <>S+ 0 0 27 -4,-2.3 5,-1.9 2,-0.2 -1,-0.2 0.784 108.2 49.6 -69.9 -30.1 23.2 1.7 40.6 106 226 A T H <5S+ 0 0 87 -4,-1.2 3,-0.4 -3,-0.3 -1,-0.2 0.905 114.4 45.3 -75.4 -41.2 26.0 -0.4 42.1 107 227 A V H <5S+ 0 0 66 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.971 120.8 39.1 -60.9 -54.4 26.8 -2.1 38.8 108 228 A F T <5S- 0 0 155 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.382 114.0-117.8 -79.8 4.5 26.6 1.3 36.9 109 229 A R T 5 0 0 211 -3,-0.4 -3,-0.2 -4,-0.2 -4,-0.1 0.672 360.0 360.0 67.2 21.3 28.4 3.1 39.8 110 230 A Q < 0 0 209 -5,-1.9 -1,-0.2 -6,-0.2 -5,-0.1 0.979 360.0 360.0 56.3 360.0 25.4 5.4 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 0 158 0, 0.0 3,-2.1 0, 0.0 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-11.5 56.1 329 512 A R T >> S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 3,-0.8 0.918 87.6 45.4 -65.0 -45.1 -46.1 -9.9 53.3 330 513 A E T <4 S+ 0 0 88 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.955 104.9 61.3 -61.5 -50.0 -42.8 -11.0 54.7 331 514 A I T 34 S+ 0 0 146 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.615 120.2 27.8 -55.3 -16.2 -44.1 -14.5 55.4 332 515 A L T <4 S+ 0 0 32 -3,-0.8 2,-2.5 -4,-0.5 -1,-0.3 0.646 101.5 84.7-111.7 -31.1 -44.6 -14.8 51.6 333 516 A E < 0 0 11 -4,-2.8 -1,-0.1 1,-0.2 -2,-0.1 -0.353 360.0 360.0 -78.9 61.3 -42.0 -12.4 50.4 334 517 A R 0 0 199 -2,-2.5 -1,-0.2 -3,-0.1 -3,-0.1 0.391 360.0 360.0-147.0 360.0 -39.1 -14.9 50.4 335 ! 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 0.0 336 522 A E 0 0 250 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.2 -45.0 -17.9 42.2 337 523 A L - 0 0 46 1,-0.0 -5,-0.0 2,-0.0 5,-0.0 -0.920 360.0-109.2-133.3 148.9 -47.8 -16.3 44.2 338 524 A Y > - 0 0 168 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.229 37.6-107.6 -69.9 162.7 -51.6 -16.4 44.5 339 525 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.861 120.6 48.8 -64.5 -38.7 -53.8 -13.6 43.4 340 526 A H H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 111.5 50.4 -67.4 -39.3 -54.6 -12.4 46.9 341 527 A E H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.927 110.3 50.8 -60.3 -44.0 -50.9 -12.6 47.7 342 528 A K H X S+ 0 0 69 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.875 108.3 53.7 -56.7 -40.7 -50.4 -10.5 44.6 343 529 A D H X S+ 0 0 98 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.885 106.7 48.7 -66.2 -41.9 -53.0 -8.0 45.8 344 530 A L H X S+ 0 0 44 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.920 110.2 52.8 -65.7 -42.2 -51.4 -7.4 49.3 345 531 A V H < S+ 0 0 0 -4,-1.9 7,-0.2 2,-0.2 -2,-0.2 0.932 113.7 42.2 -56.0 -50.7 -48.0 -6.8 47.6 346 532 A W H >< S+ 0 0 45 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.927 112.9 53.9 -62.3 -46.2 -49.5 -4.2 45.3 347 533 A K H 3< S+ 0 0 141 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.898 115.6 40.1 -53.2 -41.8 -51.6 -2.7 48.0 348 534 A M T 3X S+ 0 0 42 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 -0.107 73.6 129.2-106.1 36.5 -48.4 -2.3 50.1 349 535 A R H <> S+ 0 0 36 -3,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.763 71.4 57.0 -63.3 -29.5 -46.1 -1.2 47.4 350 536 A H H > S+ 0 0 79 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.928 106.5 48.4 -67.0 -46.0 -44.9 1.9 49.5 351 537 A E H >>S+ 0 0 58 2,-0.2 4,-3.4 1,-0.2 5,-0.6 0.841 108.4 56.3 -59.8 -36.3 -43.8 -0.4 52.4 352 538 A V H X5S+ 0 0 0 -4,-1.6 4,-2.1 -7,-0.2 7,-0.3 0.966 111.9 41.3 -60.6 -52.4 -42.0 -2.6 49.8 353 539 A Q H <5S+ 0 0 30 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.895 121.1 44.4 -58.0 -43.1 -40.0 0.5 48.6 354 540 A E H <5S+ 0 0 121 -4,-2.8 -2,-0.2 2,-0.1 -1,-0.2 0.877 134.0 9.4 -73.8 -41.4 -39.5 1.7 52.2 355 541 A H H <5S+ 0 0 133 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.469 134.4 37.3-124.3 -5.9 -38.6 -1.6 54.0 356 542 A F ><< + 0 0 42 -4,-2.1 3,-2.4 -5,-0.6 -2,-0.1 -0.256 59.2 152.4-142.2 50.3 -38.0 -4.2 51.3 357 543 A P G > S+ 0 0 37 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 0.782 71.9 62.7 -57.1 -29.0 -36.3 -2.4 48.4 358 544 A E G 3 S+ 0 0 130 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.559 90.4 69.4 -74.4 -4.8 -34.6 -5.7 47.3 359 545 A A G <> + 0 0 14 -3,-2.4 4,-1.5 -7,-0.3 3,-0.5 0.186 64.6 115.3 -93.6 17.2 -38.1 -7.1 46.6 360 546 A L H <> + 0 0 0 -3,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.841 69.5 56.1 -54.2 -40.1 -38.5 -4.7 43.7 361 547 A A H > S+ 0 0 9 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.892 105.5 50.3 -62.4 -39.9 -38.6 -7.6 41.1 362 548 A R H > S+ 0 0 83 -3,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.843 111.4 49.1 -69.9 -33.7 -41.5 -9.3 42.9 363 549 A L H >X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 3,-1.0 0.912 108.7 52.9 -68.0 -45.1 -43.5 -6.0 43.0 364 550 A L H >< S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.3 -2,-0.2 0.874 105.7 54.7 -58.1 -39.4 -42.8 -5.4 39.3 365 551 A L H 3< S+ 0 0 93 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.662 108.2 49.8 -72.0 -17.0 -44.2 -8.9 38.5 366 552 A V H << S+ 0 0 15 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.637 86.5 103.4 -94.0 -13.7 -47.4 -8.0 40.3 367 553 A T S << S- 0 0 8 -4,-1.1 2,-1.2 -3,-0.5 8,-0.1 -0.381 79.4-118.3 -69.4 146.3 -48.1 -4.7 38.6 368 554 A K > - 0 0 109 1,-0.2 3,-1.3 3,-0.1 7,-0.2 -0.735 28.5-173.7 -83.9 97.0 -50.8 -4.7 35.9 369 555 A W T 3 S+ 0 0 33 -2,-1.2 -1,-0.2 1,-0.3 -163,-0.1 0.585 78.4 67.9 -70.4 -7.7 -48.7 -3.6 32.9 370 556 A N T 3 S+ 0 0 42 -165,-0.1 2,-0.3 -134,-0.1 -1,-0.3 0.097 90.9 66.5-100.1 21.0 -51.9 -3.4 30.9 371 557 A K <> - 0 0 103 -3,-1.3 4,-1.8 1,-0.1 3,-0.4 -0.935 69.3-152.9-139.4 120.8 -53.3 -0.4 32.8 372 558 A H H > S+ 0 0 57 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.782 93.3 57.2 -66.1 -29.1 -51.5 2.9 32.5 373 559 A E H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 110.1 45.2 -66.4 -42.4 -52.6 4.3 35.9 374 560 A D H > S+ 0 0 34 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.835 112.4 50.7 -68.6 -38.1 -51.0 1.3 37.6 375 561 A V H X S+ 0 0 11 -4,-1.8 4,-3.2 -7,-0.2 5,-0.2 0.938 109.3 50.9 -63.6 -47.7 -47.8 1.5 35.5 376 562 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.830 109.7 52.9 -57.0 -35.2 -47.6 5.2 36.4 377 563 A Q H X S+ 0 0 43 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.927 111.6 43.7 -60.8 -51.0 -47.9 4.1 40.0 378 564 A M H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 3,-0.3 0.965 112.7 51.7 -63.9 -52.9 -45.1 1.6 39.7 379 565 A L H X S+ 0 0 3 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.875 104.5 58.0 -49.3 -45.0 -42.9 4.1 37.8 380 566 A Y H < S+ 0 0 132 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.915 111.7 40.7 -54.6 -47.7 -43.4 6.7 40.5 381 567 A L H >< S+ 0 0 2 -4,-1.6 3,-1.9 -3,-0.3 -2,-0.2 0.956 111.9 57.7 -60.7 -50.2 -42.0 4.4 43.2 382 568 A L H >< S+ 0 0 6 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.814 96.8 61.6 -51.1 -41.0 -39.3 3.2 40.8 383 569 A C T 3< S+ 0 0 66 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.634 112.6 35.8 -70.2 -15.4 -37.9 6.7 40.3 384 570 A S T < S+ 0 0 74 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.182 89.4 129.8-114.5 15.9 -37.0 7.1 44.0 385 571 A W < - 0 0 11 -3,-1.7 3,-0.1 -4,-0.2 -31,-0.1 -0.472 62.0-115.8 -73.4 131.8 -36.0 3.4 44.5 386 572 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.335 39.1 -90.6 -63.9 152.8 -32.7 2.9 46.2 387 573 A E - 0 0 94 25,-0.1 23,-0.1 1,-0.1 -29,-0.0 -0.281 45.3-142.2 -55.1 146.5 -29.9 1.2 44.2 388 574 A L - 0 0 6 1,-0.1 -1,-0.1 -3,-0.1 5,-0.0 -0.753 23.3 -87.4-111.4 161.1 -29.8 -2.5 44.6 389 575 A P > - 0 0 53 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.260 43.2-104.5 -63.3 157.8 -26.9 -5.0 44.8 390 576 A V H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.864 120.5 57.7 -46.8 -48.0 -25.4 -6.4 41.6 391 577 A L H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.925 109.5 44.3 -53.7 -48.4 -27.2 -9.8 42.2 392 578 A S H > S+ 0 0 18 -3,-0.3 4,-1.4 1,-0.2 3,-0.4 0.916 110.9 55.2 -62.2 -42.9 -30.6 -8.1 42.3 393 579 A A H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.799 102.3 56.6 -61.8 -31.6 -29.7 -6.0 39.2 394 580 A L H >< S+ 0 0 0 -4,-2.0 3,-0.8 -3,-0.2 -1,-0.2 0.840 103.6 53.5 -69.1 -36.3 -28.9 -9.1 37.2 395 581 A E H >< S+ 0 0 67 -4,-1.2 3,-1.9 -3,-0.4 -1,-0.2 0.914 102.9 58.9 -60.4 -41.2 -32.3 -10.5 37.8 396 582 A L T 3< S+ 0 0 2 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.576 93.0 66.8 -69.8 -11.6 -33.8 -7.3 36.5 397 583 A L T < S+ 0 0 18 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.525 78.1 112.9 -84.4 -7.9 -32.1 -7.7 33.1 398 584 A D S X S- 0 0 33 -3,-1.9 3,-2.1 -4,-0.2 388,-0.1 -0.259 85.5-111.3 -62.4 154.4 -34.2 -10.7 32.4 399 585 A F T 3 S+ 0 0 13 1,-0.3 -196,-0.1 386,-0.2 -1,-0.1 0.699 113.2 76.5 -60.4 -21.5 -36.8 -10.5 29.6 400 586 A S T 3 S+ 0 0 40 1,-0.2 -1,-0.3 -198,-0.2 3,-0.1 0.550 91.4 57.7 -60.6 -10.9 -39.5 -10.7 32.3 401 587 A F < + 0 0 15 -3,-2.1 -1,-0.2 1,-0.1 -199,-0.1 -0.561 64.7 153.8-124.3 68.4 -38.6 -7.0 33.0 402 588 A P + 0 0 32 0, 0.0 -1,-0.1 0, 0.0 35,-0.1 0.668 32.3 111.5 -72.7 -22.0 -39.2 -5.4 29.6 403 589 A D > - 0 0 4 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.246 66.0-137.1 -65.5 143.8 -40.0 -1.9 30.7 404 590 A C H > S+ 0 0 49 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.851 102.8 53.0 -69.8 -34.2 -37.3 0.7 29.7 405 591 A Y H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 110.6 47.5 -66.7 -39.9 -37.4 2.4 33.0 406 592 A V H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.939 112.4 50.9 -63.1 -46.8 -36.8 -0.8 34.8 407 593 A G H X S+ 0 0 24 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.922 111.0 47.7 -54.7 -47.8 -34.0 -1.6 32.3 408 594 A S H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.906 111.3 50.3 -62.4 -45.4 -32.4 1.8 32.9 409 595 A F H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.915 108.4 53.9 -55.4 -46.0 -32.6 1.3 36.7 410 596 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.912 110.3 45.4 -60.0 -46.7 -31.0 -2.1 36.4 411 597 A I H >X S+ 0 0 3 -4,-2.2 4,-0.8 2,-0.2 3,-0.6 0.923 109.7 55.8 -60.1 -46.2 -28.0 -0.7 34.4 412 598 A K H >< S+ 0 0 90 -4,-2.6 3,-0.8 1,-0.3 4,-0.3 0.904 109.0 47.5 -52.9 -43.5 -27.8 2.2 37.0 413 599 A S H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -1,-0.3 0.743 109.3 54.7 -69.7 -23.2 -27.5 -0.5 39.7 414 600 A L H X< S+ 0 0 0 -4,-1.1 3,-1.7 -3,-0.6 -1,-0.2 0.462 80.1 90.0 -89.2 -4.3 -24.8 -2.4 37.7 415 601 A R T << S+ 0 0 115 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.1 0.802 79.9 62.1 -61.9 -28.4 -22.5 0.6 37.3 416 602 A K T < S+ 0 0 97 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.519 75.1 124.4 -76.1 -6.0 -20.8 -0.5 40.6 417 603 A L < - 0 0 5 -3,-1.7 2,-0.1 4,-0.1 -3,-0.0 -0.295 64.1-127.4 -47.7 132.5 -19.8 -3.8 38.9 418 604 A T > - 0 0 74 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.473 23.2-109.5 -70.9 159.5 -16.0 -4.1 39.2 419 605 A D H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.880 121.5 54.6 -55.4 -37.5 -14.1 -4.8 35.9 420 606 A D H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 111.1 44.5 -65.9 -44.6 -13.4 -8.4 37.2 421 607 A E H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.931 112.4 51.6 -60.9 -46.4 -17.2 -8.9 37.8 422 608 A L H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.943 110.2 49.5 -57.3 -47.6 -18.1 -7.4 34.5 423 609 A F H >< S+ 0 0 45 -4,-2.7 3,-1.3 1,-0.2 4,-0.4 0.939 108.9 52.6 -56.0 -47.6 -15.7 -9.7 32.7 424 610 A Q H 3< S+ 0 0 25 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.865 119.9 34.1 -56.8 -39.2 -17.1 -12.7 34.6 425 611 A Y H 3X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.265 87.6 105.4 -99.3 10.8 -20.7 -11.8 33.5 426 612 A L H S+ 0 0 5 -4,-0.4 4,-2.0 -3,-0.2 -1,-0.2 0.923 111.2 43.0 -53.8 -45.2 -21.1 -13.4 28.1 428 614 A Q H > S+ 0 0 2 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 110.8 54.2 -72.1 -41.0 -24.6 -13.0 29.6 429 615 A L H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.898 109.8 48.1 -58.4 -42.8 -24.7 -9.2 29.2 430 616 A V H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.4 0.930 110.1 52.3 -61.1 -45.2 -23.9 -9.6 25.5 431 617 A Q H >< S+ 0 0 5 -4,-2.0 3,-1.7 1,-0.3 -2,-0.2 0.856 100.5 61.7 -60.6 -36.9 -26.6 -12.2 25.1 432 618 A V H >< S+ 0 0 3 -4,-2.3 3,-2.4 1,-0.3 4,-0.4 0.755 86.1 75.9 -61.1 -24.0 -29.2 -9.9 26.8 433 619 A L G X< S+ 0 0 1 -3,-1.1 3,-1.7 -4,-0.7 -1,-0.3 0.847 84.0 66.3 -54.1 -32.0 -28.6 -7.5 23.8 434 620 A K G < S+ 0 0 40 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.640 96.5 55.0 -66.4 -15.5 -30.8 -10.0 21.9 435 621 A Y G < S+ 0 0 32 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.486 83.0 117.3 -88.9 -10.3 -33.7 -9.0 24.1 436 622 A E < - 0 0 52 -3,-1.7 -145,-0.3 -4,-0.4 3,-0.0 -0.341 52.8-156.6 -69.5 144.0 -33.4 -5.3 23.3 437 623 A S S S+ 0 0 19 -35,-0.1 2,-0.3 -147,-0.1 -176,-0.2 0.817 74.9 30.1 -87.3 -34.2 -36.2 -3.6 21.5 438 624 A Y S S- 0 0 27 1,-0.1 -1,-0.1 2,-0.1 -174,-0.0 -0.808 75.3-121.4-124.8 163.3 -34.3 -0.7 19.9 439 625 A L S S+ 0 0 3 -2,-0.3 2,-0.8 1,-0.1 5,-0.1 0.953 101.1 60.2 -67.5 -51.8 -30.7 -0.2 18.7 440 626 A D S S+ 0 0 66 -413,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.707 77.1 146.4 -84.5 110.1 -29.8 2.7 21.0 441 627 A C > - 0 0 17 -2,-0.8 4,-2.1 1,-0.1 5,-0.2 -0.940 60.4-110.1-145.3 161.8 -30.2 1.4 24.5 442 628 A E H > S+ 0 0 81 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.846 114.6 55.1 -64.9 -39.0 -28.7 1.8 28.0 443 629 A L H > S+ 0 0 4 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.941 108.5 48.1 -60.0 -47.7 -27.1 -1.7 27.9 444 630 A T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.934 114.3 45.8 -60.7 -46.1 -25.2 -1.0 24.6 445 631 A K H X S+ 0 0 93 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.910 113.7 50.2 -63.9 -41.6 -24.0 2.4 25.9 446 632 A F H X S+ 0 0 9 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.935 113.2 44.8 -59.4 -47.3 -23.0 0.8 29.2 447 633 A L H X S+ 0 0 3 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.917 114.1 49.6 -67.0 -39.0 -21.1 -2.1 27.5 448 634 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.931 111.4 47.1 -67.7 -49.6 -19.4 0.3 25.0 449 635 A G H X S+ 0 0 22 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.922 114.3 47.8 -55.6 -46.3 -18.2 2.8 27.7 450 636 A R H X S+ 0 0 41 -4,-2.1 4,-0.7 -5,-0.3 3,-0.3 0.917 112.2 50.7 -61.1 -40.2 -16.8 0.0 29.9 451 637 A A H < S+ 0 0 0 -4,-2.2 7,-0.7 1,-0.2 3,-0.4 0.852 109.3 50.1 -64.0 -38.1 -15.1 -1.5 26.8 452 638 A L H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.727 111.3 48.8 -77.7 -19.5 -13.5 1.7 25.9 453 639 A A H < S+ 0 0 65 -4,-1.3 2,-0.3 -3,-0.3 -1,-0.2 0.511 117.9 38.9 -96.3 -5.2 -12.2 2.2 29.5 454 640 A N X - 0 0 4 -4,-0.7 4,-2.3 -3,-0.4 -1,-0.2 -0.899 66.6-156.7-146.3 114.7 -10.7 -1.3 29.8 455 641 A R H > S+ 0 0 10 -398,-2.8 4,-2.7 -2,-0.3 -397,-0.1 0.770 96.4 55.7 -65.9 -26.2 -9.0 -2.9 26.8 456 642 A K H > S+ 0 0 42 -399,-0.4 4,-2.1 2,-0.2 5,-0.3 0.945 108.5 47.4 -72.9 -44.1 -9.6 -6.4 28.1 457 643 A I H > S+ 0 0 1 -7,-0.2 4,-2.9 1,-0.2 5,-0.3 0.938 113.1 51.1 -53.9 -43.7 -13.3 -5.7 28.3 458 644 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -7,-0.7 -2,-0.2 0.906 107.2 52.9 -64.5 -43.9 -13.0 -4.3 24.7 459 645 A H H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.944 115.4 37.6 -57.5 -52.9 -11.2 -7.4 23.5 460 646 A F H X S+ 0 0 16 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.846 112.5 56.7 -76.5 -31.6 -13.9 -9.9 24.7 461 647 A L H X S+ 0 0 2 -4,-2.9 4,-2.0 -5,-0.3 5,-0.2 0.959 108.8 50.4 -55.9 -47.8 -16.8 -7.6 23.9 462 648 A F H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.925 112.5 44.0 -54.4 -53.4 -15.5 -7.5 20.3 463 649 A W H X S+ 0 0 7 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.878 109.8 54.4 -67.6 -41.9 -15.1 -11.3 20.0 464 650 A H H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.9 39.7 -52.5 -42.3 -18.5 -12.1 21.6 465 651 A L H >< S+ 0 0 1 -4,-2.0 3,-1.2 -5,-0.3 -2,-0.2 0.897 115.4 50.1 -75.2 -39.8 -20.1 -9.8 19.0 466 652 A R H >< S+ 0 0 64 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.862 101.0 63.8 -67.8 -38.8 -17.9 -10.9 16.0 467 653 A S T 3< S+ 0 0 10 -4,-2.4 -1,-0.3 164,-0.3 168,-0.2 0.521 105.0 47.2 -64.5 -8.3 -18.5 -14.6 16.6 468 654 A E T X S+ 0 0 7 -3,-1.2 3,-1.9 -4,-0.2 6,-0.3 0.174 73.4 108.4-118.1 16.3 -22.2 -14.1 15.9 469 655 A M T < S+ 0 0 20 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.681 74.0 63.5 -67.2 -12.7 -22.0 -12.0 12.6 470 656 A H T 3 S+ 0 0 82 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.408 82.8 91.1 -90.8 2.1 -23.2 -15.1 10.7 471 657 A V X> - 0 0 38 -3,-1.9 3,-2.0 1,-0.1 4,-1.5 -0.860 67.6-156.0-101.5 102.6 -26.5 -14.9 12.6 472 658 A P H 3> S+ 0 0 76 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.762 88.1 61.7 -48.6 -33.6 -28.9 -12.7 10.5 473 659 A S H 34 S+ 0 0 56 1,-0.2 4,-0.2 2,-0.1 -181,-0.1 0.711 120.4 23.6 -73.4 -20.6 -31.1 -11.8 13.5 474 660 A V H <> S+ 0 0 6 -3,-2.0 4,-3.0 -6,-0.3 5,-0.4 0.472 93.8 97.8-117.0 -6.6 -28.2 -10.1 15.3 475 661 A A H X S+ 0 0 13 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.874 88.6 44.0 -54.7 -45.7 -25.8 -9.2 12.4 476 662 A L H X S+ 0 0 23 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.957 117.0 43.2 -63.8 -56.5 -27.0 -5.5 12.2 477 663 A R H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.951 119.3 43.7 -53.8 -54.1 -27.1 -4.8 15.9 478 664 A F H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.923 112.4 52.8 -63.8 -43.9 -23.7 -6.5 16.6 479 665 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.4 -1,-0.2 0.897 108.8 50.2 -51.9 -48.0 -22.1 -4.9 13.5 480 666 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.881 109.9 49.6 -60.5 -43.5 -23.1 -1.4 14.5 481 667 A I H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.890 110.8 49.7 -65.0 -41.8 -21.7 -1.9 18.1 482 668 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.882 110.1 51.2 -65.4 -38.5 -18.4 -3.2 16.7 483 669 A E H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.958 110.9 47.9 -58.7 -54.5 -18.2 -0.2 14.3 484 670 A A H X S+ 0 0 4 -4,-2.5 4,-1.6 2,-0.2 3,-0.3 0.938 110.3 52.5 -49.9 -52.3 -18.8 2.2 17.2 485 671 A Y H >X S+ 0 0 4 -4,-2.7 3,-0.7 1,-0.2 4,-0.6 0.945 108.0 51.7 -50.7 -50.5 -16.1 0.4 19.3 486 672 A C H >< S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.847 103.7 55.7 -58.2 -39.4 -13.7 0.8 16.4 487 673 A R H 3< S+ 0 0 13 -4,-2.1 3,-0.3 -3,-0.3 -1,-0.3 0.865 107.3 53.8 -58.3 -35.4 -14.3 4.6 16.2 488 674 A G H << S+ 0 0 0 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.545 123.0 21.2 -76.3 -12.9 -13.3 4.6 19.9 489 675 A S S+ 0 0 17 -3,-0.3 4,-1.5 2,-0.2 5,-0.1 0.849 85.7 53.6 -69.3 -39.6 -8.2 2.8 16.0 491 677 A H H >> S+ 0 0 47 -325,-0.5 4,-1.7 1,-0.2 3,-0.6 0.971 108.3 48.4 -62.0 -53.2 -5.1 1.1 17.4 492 678 A H H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.793 105.0 60.7 -60.5 -30.7 -7.1 -1.8 18.9 493 679 A M H 3X S+ 0 0 0 -4,-1.4 4,-2.5 -7,-0.2 -1,-0.3 0.915 106.1 46.7 -56.6 -45.7 -8.9 -2.2 15.6 494 680 A K H < S+ 0 0 72 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.944 115.6 48.1 -62.2 -48.5 -9.4 -32.8 2.8 516 702 A S H >X S+ 0 0 11 -4,-3.2 3,-2.1 1,-0.2 4,-1.4 0.864 102.3 62.9 -64.0 -36.9 -5.9 -34.3 3.1 517 703 A S H 3< S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.790 101.1 52.9 -62.6 -26.7 -6.9 -36.6 6.0 518 704 A Q T << S+ 0 0 156 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.382 116.2 40.1 -84.6 3.4 -9.4 -38.4 3.8 519 705 A K T <4 S+ 0 0 159 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.544 116.4 13.6-125.3 -15.2 -6.7 -39.1 1.2 520 706 A T S < S- 0 0 58 -4,-1.4 -1,-0.2 -3,-0.1 2,-0.1 -0.917 84.5 -63.9-157.6 176.2 -3.4 -40.0 2.8 521 707 A T > - 0 0 74 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.340 44.8-116.0 -74.3 153.7 -1.6 -41.0 6.0 522 708 A K H > S+ 0 0 69 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.893 116.4 55.4 -58.5 -45.4 -1.4 -38.7 9.0 523 709 A P H > S+ 0 0 88 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.889 110.9 46.8 -48.7 -42.4 2.4 -38.4 8.7 524 710 A Q H > S+ 0 0 92 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.948 113.0 46.5 -69.8 -47.5 1.8 -37.2 5.1 525 711 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.870 112.0 52.5 -57.9 -40.1 -1.0 -34.7 6.0 526 712 A K H X S+ 0 0 71 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.927 108.8 48.7 -66.3 -45.3 1.1 -33.4 8.9 527 713 A E H X S+ 0 0 121 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.901 113.4 48.2 -57.0 -44.3 4.2 -32.8 6.6 528 714 A M H X S+ 0 0 78 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.885 108.1 53.9 -66.8 -38.5 1.8 -31.0 4.1 529 715 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.934 109.6 49.5 -56.2 -49.6 0.3 -28.9 6.9 530 716 A H H X S+ 0 0 6 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.896 109.3 50.1 -56.7 -46.9 3.9 -27.9 7.8 531 717 A M H < S+ 0 0 127 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.919 111.8 49.4 -58.5 -44.9 4.8 -26.9 4.2 532 718 A C H >< S+ 0 0 23 -4,-2.5 3,-1.2 1,-0.2 6,-0.3 0.925 111.4 48.6 -57.6 -46.0 1.6 -24.9 4.0 533 719 A M H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.808 104.2 61.5 -64.8 -30.0 2.4 -23.1 7.3 534 720 A R T 3< S+ 0 0 120 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.494 76.6 109.7 -83.4 -3.6 6.0 -22.4 6.1 535 721 A Q S X> S- 0 0 99 -3,-1.2 4,-2.8 -4,-0.5 3,-0.8 -0.473 82.2-117.2 -62.3 142.6 4.8 -20.3 3.2 536 722 A E H 3> S+ 0 0 177 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.879 113.3 55.2 -52.2 -46.9 5.6 -16.6 3.8 537 723 A T H 3> S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.840 113.4 41.7 -58.2 -37.5 2.0 -15.5 3.9 538 724 A Y H <> S+ 0 0 24 -3,-0.8 4,-2.7 -6,-0.3 -2,-0.2 0.902 112.0 52.6 -77.3 -43.5 1.2 -18.1 6.6 539 725 A M H X S+ 0 0 66 -4,-2.8 4,-0.7 1,-0.2 19,-0.3 0.894 116.2 42.1 -56.7 -40.9 4.4 -17.5 8.7 540 726 A E H < S+ 0 0 143 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.904 116.2 47.0 -73.7 -44.8 3.5 -13.7 8.7 541 727 A A H < S+ 0 0 9 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.903 116.2 43.7 -64.8 -38.8 -0.2 -14.1 9.3 542 728 A L H < S+ 0 0 0 -4,-2.7 2,-0.3 -9,-0.2 3,-0.2 0.581 103.2 76.9 -86.9 -11.6 0.2 -16.7 12.1 543 729 A S S < S+ 0 0 7 -4,-0.7 14,-0.2 -3,-0.3 13,-0.2 -0.744 85.0 20.8-105.0 150.3 3.0 -15.0 14.0 544 730 A H S S+ 0 0 102 12,-2.4 2,-0.3 11,-0.8 12,-0.2 0.954 82.2 131.8 70.3 56.5 3.1 -11.9 16.4 545 731 A L E -R 555 0H 12 10,-2.5 10,-3.4 -3,-0.2 2,-0.4 -0.916 61.4-109.4-130.1 160.9 -0.4 -11.6 17.6 546 732 A Q E -R 554 0H 22 -2,-0.3 8,-0.2 -51,-0.3 6,-0.1 -0.731 49.3-106.6 -77.2 139.0 -2.3 -11.2 20.8 547 733 A S E > -R 550 0H 4 6,-2.7 3,-1.4 3,-0.6 6,-0.2 -0.547 14.3-142.5 -66.3 129.6 -4.2 -14.4 21.6 548 734 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -85,-0.1 0.810 104.1 60.7 -58.4 -23.7 -7.9 -14.1 21.0 549 735 A L T 3 S- 0 0 15 1,-0.3 80,-0.1 79,-0.1 91,-0.1 0.707 129.1 -3.0 -73.2 -22.8 -8.1 -16.3 24.1 550 736 A D E X -R 547 0H 33 -3,-1.4 3,-2.4 3,-0.2 -3,-0.6 -0.665 62.9-151.0-171.5 102.9 -6.3 -13.8 26.4 551 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2,-0.6 83,-0.1 -40,-0.1 -0.570 50.5-137.2 -66.1 134.3 -22.8 -37.9 40.9 739 933 A I + 0 0 76 -42,-0.3 2,-0.4 -2,-0.3 -38,-0.1 -0.891 30.1 170.9-111.5 122.0 -19.7 -39.7 39.4 740 934 A L - 0 0 13 -2,-0.6 2,-0.4 88,-0.4 -2,-0.0 -0.999 20.5-153.9-119.3 123.8 -17.0 -41.3 41.3 741 935 A T > - 0 0 56 -2,-0.4 4,-2.4 1,-0.1 3,-0.4 -0.818 15.1-133.1-101.3 141.9 -14.5 -43.3 39.2 742 936 A Y H > S+ 0 0 97 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.881 103.7 51.7 -59.4 -49.1 -12.6 -46.2 40.6 743 937 A D H > S+ 0 0 24 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.802 112.7 47.8 -63.1 -27.6 -9.1 -45.3 39.2 744 938 A F H > S+ 0 0 12 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.930 110.3 49.8 -75.7 -44.8 -9.5 -41.8 40.7 745 939 A V H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.899 108.7 56.5 -59.2 -37.0 -10.7 -43.1 44.1 746 940 A H H <>S+ 0 0 12 -4,-2.6 5,-2.7 -5,-0.2 -1,-0.2 0.896 109.2 43.7 -62.1 -42.2 -7.6 -45.4 43.9 747 941 A V H ><5S+ 0 0 0 -4,-1.3 3,-2.3 3,-0.2 -2,-0.2 0.935 111.2 54.2 -67.7 -46.8 -5.3 -42.4 43.4 748 942 A I H 3<5S+ 0 0 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F H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.904 107.6 51.6 -66.3 -43.2 -12.0 -36.1 49.8 763 957 A R H X S+ 0 0 32 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.927 108.0 54.9 -55.9 -43.0 -15.8 -36.4 50.6 764 958 A G H X S+ 0 0 33 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.922 105.9 50.8 -54.2 -49.4 -15.3 -33.3 52.9 765 959 A Y H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.940 110.8 48.7 -55.0 -47.5 -13.9 -31.4 49.9 766 960 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.931 113.8 46.0 -57.6 -49.4 -16.9 -32.3 47.8 767 961 A E H X S+ 0 0 22 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.910 112.8 49.0 -62.0 -46.2 -19.4 -31.3 50.5 768 962 A R H X S+ 0 0 106 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.906 113.9 47.3 -58.9 -44.5 -17.6 -28.0 51.2 769 963 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.925 113.9 47.1 -63.7 -45.9 -17.5 -27.2 47.5 770 964 A Y H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.886 111.0 50.6 -62.6 -41.4 -21.2 -28.1 47.0 771 965 A T H X S+ 0 0 14 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.866 108.2 52.9 -71.3 -33.9 -22.4 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46.8 -57.2 -46.8 -29.9 -19.0 38.3 782 976 A H H X S+ 0 0 22 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.856 114.0 48.8 -66.8 -35.3 -29.9 -15.4 37.2 783 977 A L H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.899 112.1 46.7 -70.9 -43.2 -27.0 -16.0 34.9 784 978 A F H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.869 109.4 57.0 -63.5 -37.3 -28.6 -19.1 33.3 785 979 A A H >< S+ 0 0 18 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.909 108.6 45.2 -58.5 -44.9 -31.8 -17.1 33.0 786 980 A L H >< S+ 0 0 1 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.792 105.1 63.6 -68.6 -28.8 -30.0 -14.4 31.0 787 981 A M H >< S+ 0 0 3 -4,-1.4 3,-1.9 1,-0.3 5,-0.4 0.622 79.4 81.2 -74.3 -16.7 -28.3 -17.1 28.9 788 982 A R G X< S+ 0 0 93 -3,-0.8 3,-0.5 -4,-0.7 -1,-0.3 0.695 81.2 68.7 -57.8 -19.1 -31.7 -18.2 27.6 789 983 A A G < S+ 0 0 14 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.692 85.7 69.8 -72.1 -20.1 -31.2 -15.3 25.2 790 984 A A G < S- 0 0 7 -3,-1.9 -1,-0.2 5,-0.1 -2,-0.2 0.783 97.3-132.7 -72.2 -31.9 -28.4 -17.2 23.4 791 985 A G < + 0 0 51 -3,-0.5 -3,-0.1 -4,-0.4 5,-0.1 0.674 40.4 165.8 84.0 20.3 -30.6 -19.9 21.8 792 986 A L > - 0 0 0 -5,-0.4 3,-2.1 3,-0.3 -1,-0.2 -0.519 40.5-133.4 -64.0 130.4 -28.5 -22.9 22.8 793 987 A P T 3 S+ 0 0 106 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.747 106.3 52.6 -62.5 -18.9 -30.7 -25.9 22.2 794 988 A E T 3 S+ 0 0 30 1,-0.3 -62,-0.1 2,-0.1 2,-0.1 0.403 111.8 45.5 -96.1 0.8 -29.7 -27.3 25.7 795 989 A L S < S+ 0 0 0 -3,-2.1 -4,-0.4 -8,-0.1 -3,-0.3 -0.602 82.0 110.5-137.0 72.3 -30.6 -24.1 27.4 796 990 A S S S+ 0 0 71 -3,-0.4 2,-0.2 -5,-0.1 -2,-0.1 0.615 70.1 18.4-126.5 -22.6 -34.0 -23.4 25.8 797 991 A C S > S- 0 0 54 -3,-0.1 4,-0.9 -4,-0.1 3,-0.3 -0.710 84.5 -80.1-141.6-168.0 -36.8 -23.8 28.4 798 992 A S H > S+ 0 0 65 1,-0.2 4,-2.7 -2,-0.2 3,-0.3 0.857 116.3 60.4 -68.2 -43.2 -37.8 -24.0 32.1 799 993 A K H > S+ 0 0 130 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.770 99.7 57.7 -62.4 -28.8 -36.8 -27.7 32.7 800 994 A D H > S+ 0 0 9 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.910 111.5 41.9 -61.5 -46.4 -33.2 -26.8 31.8 801 995 A I H >X S+ 0 0 19 -4,-0.9 4,-2.0 -3,-0.3 3,-0.5 0.864 109.1 58.6 -66.6 -41.4 -33.3 -24.2 34.6 802 996 A Q H 3X S+ 0 0 59 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.830 96.7 64.1 -60.5 -32.1 -35.1 -26.6 36.9 803 997 A Y H 3X S+ 0 0 20 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.920 104.5 44.8 -55.1 -46.3 -32.2 -28.9 36.4 804 998 A L H S+ 0 0 77 -4,-2.0 5,-1.9 1,-0.2 4,-0.4 0.889 113.7 43.5 -55.0 -42.8 -32.5 -25.8 40.9 806 1000 A D H ><5S+ 0 0 80 -4,-2.5 3,-0.7 2,-0.2 -2,-0.2 0.906 111.6 52.1 -72.1 -43.3 -32.6 -29.5 41.6 807 1001 A S H 3<5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.871 116.9 40.2 -63.6 -35.1 -28.9 -30.1 41.4 808 1002 A L T 3<5S- 0 0 1 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.511 100.9-138.6 -87.7 -4.9 -28.4 -27.2 43.9 809 1003 A A T X 5 + 0 0 7 -3,-0.7 3,-0.7 -4,-0.4 -3,-0.2 0.911 36.5 169.9 46.5 50.8 -31.4 -28.3 46.0 810 1004 A L T 3 < + 0 0 49 -5,-1.9 -1,-0.1 1,-0.3 -4,-0.1 0.741 67.3 58.2 -69.9 -24.1 -32.3 -24.7 46.4 811 1005 A G T 3 S+ 0 0 87 -6,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.848 97.8 80.9 -66.9 -33.1 -35.7 -25.4 48.0 812 1006 A K S < S- 0 0 84 -3,-0.7 2,-0.1 1,-0.1 0, 0.0 -0.246 86.1-108.8 -79.1 157.1 -34.1 -27.3 50.8 813 1007 A T > - 0 0 79 1,-0.1 4,-3.2 -2,-0.0 5,-0.2 -0.382 40.1-106.2 -68.0 162.0 -32.4 -26.2 54.0 814 1008 A E H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.843 123.0 55.0 -62.8 -31.2 -28.6 -26.7 54.0 815 1009 A E H > S+ 0 0 138 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.928 112.8 40.0 -68.1 -44.9 -29.1 -29.6 56.3 816 1010 A E H > S+ 0 0 106 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.946 113.9 54.6 -66.2 -49.1 -31.5 -31.4 53.9 817 1011 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.880 109.9 47.2 -50.7 -43.7 -29.5 -30.4 50.8 818 1012 A L H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.874 111.3 49.6 -70.8 -38.4 -26.4 -32.0 52.4 819 1013 A K H X S+ 0 0 136 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.936 112.5 48.5 -64.8 -45.7 -28.2 -35.2 53.4 820 1014 A H H X S+ 0 0 64 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.931 113.0 48.2 -55.5 -49.3 -29.6 -35.4 49.8 821 1015 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.900 107.3 55.9 -58.2 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1,-0.3 -2,-0.2 0.679 84.2 92.6 -60.6 -22.4 -21.6 -47.8 41.7 832 1026 A S T 3< 0 0 14 -4,-0.5 -1,-0.3 -3,-0.2 -90,-0.2 0.578 360.0 360.0 -58.3 -11.9 -17.8 -47.3 41.7 833 1027 A W < 0 0 251 -3,-1.5 -3,-0.1 -4,-0.2 -2,-0.1 -0.288 360.0 360.0-163.7 360.0 -17.6 -51.1 41.2