==== 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 22-JAN-10 2X38 . 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) . 37839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 72.1 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 . 46 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 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 0 3 2 3 1 3 2 3 4 0 0 2 0 1 1 1 1 1 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 7 4 1 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 0 150 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -42.5 -7.5 39.9 5.9 2 110 A K H > + 0 0 101 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.819 360.0 54.7 -58.6 -34.5 -11.2 39.9 7.0 3 111 A K H > S+ 0 0 172 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 107.3 48.8 -62.0 -44.7 -11.7 37.8 3.9 4 112 A L H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.932 111.0 49.6 -62.6 -45.9 -9.0 35.3 5.1 5 113 A I H X S+ 0 0 31 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.936 109.2 52.5 -59.7 -48.3 -10.6 35.1 8.6 6 114 A N H X S+ 0 0 39 -4,-2.1 4,-2.3 1,-0.2 11,-0.3 0.917 111.9 44.8 -54.5 -46.8 -14.0 34.4 7.1 7 115 A S H X S+ 0 0 70 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.863 112.0 53.1 -69.6 -34.0 -12.8 31.6 5.0 8 116 A Q H X S+ 0 0 26 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.949 109.6 47.9 -62.9 -48.5 -10.8 30.1 7.9 9 117 A I H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.949 110.6 52.6 -53.6 -51.8 -13.9 30.1 10.2 10 118 A S H X>S+ 0 0 26 -4,-2.3 5,-1.4 1,-0.2 4,-0.7 0.875 113.5 43.0 -52.4 -44.2 -15.9 28.4 7.4 11 119 A L H <5S+ 0 0 122 -4,-2.0 3,-0.5 3,-0.2 -1,-0.2 0.931 115.3 50.5 -68.8 -45.2 -13.3 25.8 7.1 12 120 A L H <5S+ 0 0 10 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.914 115.3 39.1 -56.9 -50.3 -13.0 25.4 10.9 13 121 A I H <5S- 0 0 0 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.536 106.6-121.4 -84.7 -6.1 -16.7 25.1 11.7 14 122 A G T <5S+ 0 0 43 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.817 82.8 95.3 67.5 30.0 -17.5 22.9 8.7 15 123 A K S - 0 0 15 -2,-0.3 3,-1.4 1,-0.1 4,-0.4 -0.509 17.7-139.0 -66.5 130.0 -19.6 28.2 4.8 17 125 A L T >> S+ 0 0 11 -11,-0.3 3,-1.4 1,-0.3 4,-1.3 0.790 99.7 71.9 -61.5 -29.6 -20.6 31.5 6.3 18 126 A H H 3> S+ 0 0 117 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.802 87.6 64.9 -53.8 -32.7 -22.4 32.4 3.0 19 127 A E H <> S+ 0 0 79 -3,-1.4 4,-0.7 1,-0.2 -1,-0.3 0.821 98.1 52.9 -63.0 -33.8 -25.0 29.8 4.0 20 128 A F H X4 S+ 0 0 0 -3,-1.4 3,-0.8 -4,-0.4 5,-0.4 0.931 110.3 48.1 -64.3 -46.4 -25.9 32.0 7.0 21 129 A D H >< S+ 0 0 95 -4,-1.3 3,-2.0 1,-0.2 -2,-0.2 0.898 102.8 61.9 -57.6 -43.5 -26.4 35.0 4.7 22 130 A S H 3< S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.695 90.8 67.5 -65.3 -21.4 -28.5 33.1 2.2 23 131 A L T << S- 0 0 93 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.706 86.2-151.7 -68.5 -21.0 -31.2 32.4 4.8 24 132 A R < + 0 0 218 -3,-2.0 -2,-0.1 -4,-0.3 -3,-0.1 0.910 36.7 161.4 42.7 50.3 -32.1 36.2 4.9 25 133 A D > - 0 0 35 -5,-0.4 4,-2.5 1,-0.2 -1,-0.2 -0.899 38.9-156.2-105.9 116.5 -33.2 35.5 8.4 26 134 A P H > S+ 0 0 77 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.911 96.4 52.8 -54.8 -44.5 -33.5 38.6 10.7 27 135 A E H > S+ 0 0 18 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.929 110.9 45.3 -59.4 -46.6 -33.0 36.4 13.8 28 136 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.937 115.0 49.0 -61.1 -46.2 -29.8 34.8 12.5 29 137 A N H X S+ 0 0 59 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.862 113.0 45.8 -59.5 -45.0 -28.5 38.2 11.4 30 138 A D H X S+ 0 0 63 -4,-2.9 4,-2.2 2,-0.2 5,-0.4 0.933 112.5 51.9 -66.5 -46.2 -29.3 39.8 14.8 31 139 A F H X S+ 0 0 4 -4,-3.1 4,-1.9 -5,-0.2 -2,-0.2 0.914 111.7 47.6 -50.1 -48.0 -27.7 36.8 16.5 32 140 A R H X S+ 0 0 39 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.882 114.0 43.7 -69.9 -38.9 -24.6 37.2 14.5 33 141 A T H X S+ 0 0 96 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.916 117.1 43.0 -76.7 -41.2 -24.1 40.9 14.9 34 142 A K H X S+ 0 0 126 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.915 116.6 47.8 -67.2 -44.1 -24.8 41.1 18.7 35 143 A M H X S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.4 -1,-0.2 0.777 109.8 53.0 -75.4 -22.8 -22.8 38.1 19.5 36 144 A R H X S+ 0 0 78 -4,-1.3 4,-2.8 -5,-0.2 -1,-0.2 0.910 108.9 50.8 -67.8 -44.3 -19.9 39.3 17.4 37 145 A Q H X S+ 0 0 120 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.941 112.9 44.6 -58.4 -51.9 -20.0 42.6 19.4 38 146 A F H X S+ 0 0 53 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.916 114.0 49.0 -60.1 -46.4 -19.9 40.8 22.7 39 147 A C H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.899 110.1 51.6 -65.9 -41.1 -17.2 38.4 21.7 40 148 A E H X S+ 0 0 79 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.854 107.9 51.6 -60.5 -38.0 -15.0 41.2 20.3 41 149 A E H X S+ 0 0 116 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.833 107.9 53.3 -69.2 -32.8 -15.3 43.1 23.5 42 150 A A H X S+ 0 0 26 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.916 108.2 49.6 -63.3 -44.3 -14.2 40.0 25.4 43 151 A A H X S+ 0 0 5 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.906 109.7 52.5 -60.6 -42.4 -11.1 39.8 23.1 44 152 A A H >< S+ 0 0 63 -4,-2.1 3,-0.7 1,-0.2 4,-0.5 0.967 108.1 49.6 -57.9 -54.8 -10.4 43.4 23.9 45 153 A H H >< S+ 0 0 120 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.859 110.2 53.8 -47.9 -41.3 -10.5 42.8 27.6 46 154 A R H >< S+ 0 0 6 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.807 96.8 60.8 -69.5 -35.0 -8.2 39.9 27.2 47 155 A Q T << S+ 0 0 38 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.525 107.6 46.4 -81.7 -2.2 -5.3 41.5 25.4 48 156 A Q T < S+ 0 0 150 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.302 83.0 127.8-116.6 2.2 -4.7 43.9 28.2 49 157 A L < - 0 0 22 -3,-1.2 -3,-0.1 -4,-0.2 114,-0.0 -0.172 67.7-103.0 -50.8 147.9 -4.8 41.3 31.0 50 158 A G > - 0 0 33 1,-0.1 4,-2.8 4,-0.0 5,-0.1 -0.315 38.5-102.2 -65.7 164.5 -1.9 41.3 33.5 51 159 A W H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.866 122.6 46.7 -65.1 -38.2 0.6 38.4 33.0 52 160 A V H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 113.7 49.8 -67.3 -39.6 -0.7 36.3 35.9 53 161 A E H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.903 107.9 55.2 -63.6 -40.3 -4.2 36.9 34.6 54 162 A W H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.934 107.7 47.8 -53.5 -50.3 -3.0 35.9 31.2 55 163 A L H X S+ 0 0 0 -4,-2.0 4,-3.5 1,-0.2 -1,-0.2 0.904 109.8 53.7 -59.6 -43.0 -1.8 32.6 32.5 56 164 A Q H < S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.4 44.7 -58.1 -38.7 -5.1 32.1 34.3 57 165 A Y H < S+ 0 0 6 -4,-2.1 397,-2.7 2,-0.1 398,-0.5 0.937 126.7 27.7 -68.8 -49.1 -6.9 32.7 31.0 58 166 A S H < S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.828 133.4 26.6 -90.4 -37.8 -4.7 30.4 28.9 59 167 A F S < S- 0 0 6 -4,-3.5 67,-0.3 -5,-0.3 -1,-0.2 -0.576 79.0-163.9-126.2 67.8 -3.3 27.8 31.3 60 168 A P - 0 0 25 0, 0.0 66,-0.2 0, 0.0 -4,-0.1 -0.186 36.6 -88.3 -57.6 145.7 -5.9 27.5 34.1 61 169 A L - 0 0 29 1,-0.1 2,-0.9 64,-0.1 66,-0.1 -0.203 29.1-143.0 -58.6 139.0 -4.5 25.8 37.2 62 170 A Q + 0 0 31 64,-0.4 75,-3.0 -3,-0.1 76,-0.5 -0.834 35.9 171.3-106.1 94.1 -4.7 22.0 37.4 63 171 A L B -A 136 0A 37 -2,-0.9 73,-0.2 73,-0.3 72,-0.1 -0.685 37.0-105.6-107.0 153.9 -5.5 21.4 41.1 64 172 A E 0 0 57 71,-3.2 -1,-0.1 -2,-0.3 73,-0.0 -0.500 360.0 360.0 -72.2 146.9 -6.5 18.3 43.2 65 173 A P 0 0 79 0, 0.0 -1,-0.1 0, 0.0 548,-0.0 -0.011 360.0 360.0 -60.4 360.0 -10.2 18.3 44.3 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 187 A N 0 0 160 0, 0.0 2,-0.5 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -95.7 5.9 17.4 55.8 68 188 A R - 0 0 132 2,-0.0 21,-2.3 0, 0.0 22,-0.2 -0.852 360.0-135.3-109.5 120.2 7.2 15.2 53.0 69 189 A A E +B 88 0B 49 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.457 31.2 171.6 -66.6 134.4 10.5 15.6 51.2 70 190 A L E -B 87 0B 15 17,-2.9 17,-2.6 -2,-0.2 2,-0.4 -0.994 28.6-124.6-143.2 152.4 10.5 15.3 47.4 71 191 A L E -B 86 0B 85 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.792 25.6-179.2 -98.0 137.8 12.9 15.9 44.5 72 192 A V E -B 85 0B 0 13,-1.5 13,-2.6 -2,-0.4 2,-0.4 -0.990 20.9-139.9-138.6 125.0 12.1 18.4 41.6 73 193 A N E -Bc 84 150B 15 76,-2.9 78,-3.2 -2,-0.4 2,-0.4 -0.732 25.4-171.5 -84.0 127.9 14.3 19.2 38.6 74 194 A V E +Bc 83 151B 0 9,-3.0 9,-2.3 -2,-0.4 2,-0.3 -0.981 10.2 165.3-128.9 136.7 14.2 22.9 37.7 75 195 A K E -Bc 82 152B 31 76,-2.0 78,-3.5 -2,-0.4 2,-0.3 -0.823 31.4-110.0-137.4 172.4 15.6 24.7 34.6 76 196 A F E > - c 0 153B 30 5,-0.6 3,-1.4 3,-0.4 78,-0.1 -0.803 32.0-109.6-110.2 154.8 15.3 28.0 32.9 77 197 A E T 3 S+ 0 0 108 76,-1.3 77,-0.1 -2,-0.3 -1,-0.1 0.845 109.8 38.0 -47.7 -52.1 13.7 28.8 29.5 78 198 A G T 3 S+ 0 0 83 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 0.204 110.6 57.2 -95.2 17.3 16.8 29.5 27.3 79 199 A S < - 0 0 41 -3,-1.4 -3,-0.4 2,-0.1 0, 0.0 -0.999 63.0-142.0-149.4 147.9 19.4 27.0 28.7 80 200 A E + 0 0 166 -2,-0.3 2,-0.3 -5,-0.1 -1,-0.1 0.507 70.0 106.6 -90.4 -5.0 19.7 23.2 29.1 81 201 A E + 0 0 130 -5,-0.0 -5,-0.6 2,-0.0 2,-0.3 -0.578 49.1 173.9 -74.4 134.3 21.5 23.3 32.5 82 202 A S E -B 75 0B 51 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.849 24.4-138.8-136.8 171.0 19.2 22.3 35.4 83 203 A F E -B 74 0B 30 -9,-2.3 -9,-3.0 -2,-0.3 2,-0.7 -0.998 10.7-141.1-135.5 137.4 19.3 21.6 39.1 84 204 A T E -B 73 0B 84 -2,-0.4 -11,-0.3 -11,-0.3 2,-0.2 -0.896 30.8-169.2 -97.3 113.2 17.6 18.9 41.1 85 205 A F E -B 72 0B 24 -13,-2.6 -13,-1.5 -2,-0.7 2,-0.5 -0.527 22.0-130.3 -93.7 163.0 16.3 20.4 44.4 86 206 A Q E +B 71 0B 142 -15,-0.2 2,-0.3 -2,-0.2 -15,-0.2 -0.983 41.0 157.5-105.8 128.9 15.0 18.9 47.5 87 207 A V E -B 70 0B 13 -17,-2.6 -17,-2.9 -2,-0.5 2,-0.4 -0.861 38.6-104.1-136.5 177.3 11.7 20.6 48.7 88 208 A S E > -B 69 0B 10 -2,-0.3 3,-1.5 -19,-0.2 45,-0.3 -0.859 19.7-129.6-106.3 141.3 8.7 19.8 50.8 89 209 A T T 3 S+ 0 0 9 -21,-2.3 45,-1.4 -2,-0.4 46,-0.2 0.529 111.2 61.1 -59.4 -6.0 5.2 19.0 49.5 90 210 A K T 3 S+ 0 0 116 -22,-0.2 -1,-0.3 42,-0.1 -21,-0.1 0.710 83.8 100.1 -92.5 -25.2 4.1 21.7 51.9 91 211 A D S < S- 0 0 47 -3,-1.5 42,-2.2 41,-0.1 43,-0.2 -0.182 71.9-121.4 -63.8 152.0 6.1 24.5 50.2 92 212 A M >> - 0 0 66 40,-0.2 4,-1.3 41,-0.1 3,-0.6 -0.509 30.2-105.5 -83.5 161.7 4.5 27.1 47.8 93 213 A P H 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.839 117.2 66.7 -53.7 -34.8 5.8 27.5 44.3 94 214 A L H 3> S+ 0 0 78 35,-0.2 4,-2.3 1,-0.2 5,-0.1 0.864 98.6 48.5 -57.0 -46.0 7.5 30.8 45.4 95 215 A A H <> S+ 0 0 40 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.911 111.9 49.4 -60.3 -47.3 10.0 29.1 47.7 96 216 A L H X S+ 0 0 1 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.890 111.7 49.6 -57.6 -40.1 10.9 26.6 45.0 97 217 A M H X S+ 0 0 9 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.870 107.7 54.3 -69.7 -35.7 11.3 29.6 42.6 98 218 A A H X S+ 0 0 23 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.866 107.8 50.4 -61.0 -42.1 13.5 31.3 45.2 99 219 A C H X S+ 0 0 29 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.931 109.2 50.7 -59.4 -48.5 15.8 28.3 45.4 100 220 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.802 109.8 49.6 -65.5 -31.7 16.2 28.1 41.6 101 221 A L H X S+ 0 0 23 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.858 110.1 49.1 -77.1 -36.7 17.1 31.8 41.4 102 222 A R H X S+ 0 0 155 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.897 111.6 51.3 -67.6 -40.8 19.8 31.6 44.1 103 223 A K H X S+ 0 0 94 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.911 110.7 48.1 -57.0 -45.7 21.2 28.5 42.4 104 224 A K H X S+ 0 0 66 -4,-1.8 4,-2.5 1,-0.2 6,-0.3 0.911 110.5 51.8 -61.8 -44.9 21.3 30.5 39.1 105 225 A A H <>S+ 0 0 30 -4,-2.5 5,-1.5 1,-0.2 -1,-0.2 0.836 111.2 48.0 -59.4 -36.4 23.0 33.4 40.8 106 226 A T H ><5S+ 0 0 89 -4,-1.8 3,-0.8 3,-0.2 -2,-0.2 0.897 113.5 44.3 -75.7 -42.3 25.7 31.0 42.3 107 227 A V H 3<5S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.909 118.2 45.6 -67.2 -41.7 26.5 29.2 39.0 108 228 A F T 3<5S- 0 0 156 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.316 112.1-125.0 -81.5 7.6 26.5 32.5 37.2 109 229 A R T < 5 0 0 226 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.545 360.0 360.0 58.4 13.1 28.7 34.0 40.0 110 230 A Q < 0 0 209 -5,-1.5 -1,-0.2 -6,-0.3 -4,-0.1 0.217 360.0 360.0 61.0 360.0 26.1 36.8 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 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-71.8 -19.9 -44.8 16.4 51.0 332 516 A E << 0 0 13 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 -0.377 360.0 360.0 -88.6 59.2 -42.0 18.9 50.4 333 517 A R 0 0 203 -2,-1.7 -1,-0.2 -3,-0.1 -2,-0.1 0.176 360.0 360.0-173.8 360.0 -38.9 16.5 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 0 246 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.9 -45.0 13.6 42.2 336 523 A L - 0 0 43 2,-0.0 5,-0.0 3,-0.0 2,-0.0 -0.967 360.0-108.7-143.7 148.7 -48.1 14.9 44.1 337 524 A Y > - 0 0 174 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.212 40.8-103.2 -72.1 165.7 -51.9 14.6 44.2 338 525 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.933 119.9 46.7 -60.4 -53.4 -54.2 17.5 43.1 339 526 A H H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 110.9 54.3 -54.6 -46.4 -55.2 18.8 46.6 340 527 A E H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 107.2 51.5 -51.7 -44.4 -51.5 18.6 47.5 341 528 A K H X S+ 0 0 76 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.943 105.0 56.3 -56.7 -48.6 -50.8 20.8 44.5 342 529 A D H X S+ 0 0 91 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.846 105.8 50.8 -53.5 -39.5 -53.5 23.3 45.6 343 530 A L H X S+ 0 0 64 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.917 106.6 52.7 -68.8 -44.7 -51.7 23.7 49.0 344 531 A V H < S+ 0 0 0 -4,-1.8 7,-0.2 2,-0.2 -2,-0.2 0.928 113.7 44.4 -55.2 -45.7 -48.3 24.5 47.4 345 532 A W H >< S+ 0 0 41 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.963 110.5 53.5 -65.5 -54.0 -49.8 27.1 45.3 346 533 A K H 3< S+ 0 0 152 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.859 115.4 42.4 -39.7 -45.1 -51.9 28.6 48.1 347 534 A M T 3X S+ 0 0 50 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 -0.015 74.0 127.0-102.5 29.2 -48.7 28.9 50.1 348 535 A R H <> S+ 0 0 41 -3,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.849 74.8 51.7 -55.8 -40.1 -46.4 30.2 47.3 349 536 A H H > S+ 0 0 80 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.906 108.2 51.6 -62.2 -40.9 -45.3 33.2 49.4 350 537 A E H >>S+ 0 0 68 -3,-0.3 4,-2.7 2,-0.2 5,-0.6 0.833 107.5 54.5 -66.7 -33.6 -44.4 30.8 52.3 351 538 A V H X5S+ 0 0 0 -4,-1.9 4,-2.0 -7,-0.2 7,-0.2 0.959 110.8 44.7 -60.6 -53.9 -42.4 28.8 49.7 352 539 A Q H <5S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 121.3 38.2 -56.3 -48.3 -40.4 32.0 48.7 353 540 A E H <5S+ 0 0 120 -4,-2.8 -2,-0.2 2,-0.1 -1,-0.2 0.871 134.0 16.4 -75.3 -38.7 -39.8 33.1 52.3 354 541 A H H <5S+ 0 0 132 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.596 133.5 31.5-117.8 -14.9 -39.2 29.8 54.1 355 542 A F ><< + 0 0 55 -4,-2.0 3,-2.8 -5,-0.6 -2,-0.1 -0.196 62.6 155.2-136.5 48.0 -38.5 27.1 51.4 356 543 A P G > S+ 0 0 38 0, 0.0 3,-1.0 0, 0.0 -4,-0.1 0.712 70.4 63.5 -53.2 -24.9 -36.7 29.0 48.6 357 544 A E G 3 S+ 0 0 124 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.474 88.9 69.8 -81.9 -0.9 -34.9 25.9 47.3 358 545 A A G <> + 0 0 13 -3,-2.8 4,-1.4 -7,-0.2 3,-0.4 0.060 62.8 119.2-100.0 21.4 -38.3 24.3 46.5 359 546 A L H <> + 0 0 0 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.869 68.4 56.3 -50.7 -46.9 -38.8 26.8 43.6 360 547 A A H > S+ 0 0 5 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.867 104.8 51.9 -59.0 -41.0 -38.9 24.0 40.9 361 548 A R H 4 S+ 0 0 87 -3,-0.4 4,-0.4 2,-0.2 -1,-0.2 0.859 110.1 48.4 -66.3 -37.7 -41.8 22.2 42.7 362 549 A L H >X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 3,-1.2 0.910 109.9 53.3 -66.7 -42.7 -43.8 25.5 42.8 363 550 A L H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 3,-0.2 0.876 105.2 54.9 -58.5 -39.6 -43.1 26.0 39.1 364 551 A L T 3< S+ 0 0 78 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.599 109.8 47.0 -72.7 -11.5 -44.4 22.6 38.4 365 552 A V T <4 S+ 0 0 20 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.667 85.9 103.5-100.1 -20.0 -47.7 23.4 40.1 366 553 A T S < S- 0 0 8 -4,-1.4 2,-1.4 -3,-0.2 8,-0.1 -0.330 79.5-116.6 -66.5 144.2 -48.5 26.8 38.5 367 554 A K > - 0 0 110 1,-0.2 3,-1.7 3,-0.1 7,-0.3 -0.674 30.0-174.8 -81.5 92.2 -51.1 26.8 35.8 368 555 A W T 3 S+ 0 0 33 -2,-1.4 -1,-0.2 1,-0.3 -162,-0.1 0.560 78.5 68.4 -67.0 -5.8 -49.0 28.0 32.9 369 556 A N T 3 S+ 0 0 26 -164,-0.1 2,-0.4 -133,-0.1 -1,-0.3 0.149 90.8 67.9-100.1 14.4 -52.2 28.1 30.9 370 557 A K <> - 0 0 92 -3,-1.7 4,-2.0 1,-0.1 5,-0.1 -0.978 68.2-155.5-134.1 124.1 -53.6 31.1 32.8 371 558 A H H > S+ 0 0 45 -2,-0.4 4,-2.2 1,-0.2 5,-0.1 0.782 93.0 56.9 -71.8 -31.8 -51.9 34.4 32.5 372 559 A E H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 111.1 45.4 -64.5 -42.0 -53.0 35.8 35.9 373 560 A D H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.880 110.1 52.4 -67.1 -42.2 -51.4 32.8 37.6 374 561 A V H X S+ 0 0 11 -4,-2.0 4,-3.2 -7,-0.3 5,-0.2 0.923 109.8 51.7 -59.8 -42.4 -48.2 33.0 35.5 375 562 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.876 108.8 49.7 -57.9 -42.2 -48.1 36.7 36.6 376 563 A Q H X S+ 0 0 70 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.943 114.6 45.1 -62.5 -44.9 -48.5 35.6 40.2 377 564 A M H >X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.6 0.973 113.9 47.4 -62.9 -57.3 -45.6 33.0 39.8 378 565 A L H 3X S+ 0 0 4 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.867 103.9 61.9 -49.8 -45.9 -43.3 35.4 38.0 379 566 A Y H 3< S+ 0 0 126 -4,-2.3 4,-0.5 1,-0.3 -1,-0.2 0.886 109.4 42.4 -51.4 -42.9 -43.9 38.2 40.6 380 567 A L H X< S+ 0 0 3 -4,-1.3 3,-0.7 -3,-0.6 4,-0.3 0.831 108.8 59.6 -69.7 -34.1 -42.4 36.0 43.2 381 568 A L H >< S+ 0 0 7 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.838 98.4 58.0 -66.7 -33.6 -39.6 34.8 40.9 382 569 A C T 3< S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.694 113.6 38.4 -71.3 -21.3 -38.3 38.3 40.4 383 570 A S T < S+ 0 0 69 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.349 91.3 125.7-101.5 2.8 -37.7 38.7 44.2 384 571 A W < - 0 0 8 -3,-0.8 3,-0.1 -4,-0.3 -3,-0.1 -0.354 63.9-115.8 -71.3 135.6 -36.5 35.1 44.6 385 572 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.380 38.0 -92.9 -66.4 150.8 -33.2 34.5 46.3 386 573 A E - 0 0 115 1,-0.1 23,-0.1 25,-0.1 22,-0.0 -0.301 46.0-140.0 -55.1 145.0 -30.3 33.0 44.3 387 574 A L - 0 0 4 1,-0.1 5,-0.1 -3,-0.1 -1,-0.1 -0.740 21.5 -86.7-112.1 157.9 -30.1 29.2 44.6 388 575 A P >> - 0 0 51 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.200 44.2-106.2 -57.5 155.5 -27.2 26.7 45.0 389 576 A V H 3> S+ 0 0 20 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.878 119.8 58.7 -49.6 -48.5 -25.7 25.4 41.8 390 577 A L H 3> S+ 0 0 67 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.871 108.2 46.1 -50.5 -42.6 -27.3 22.0 42.2 391 578 A S H <> S+ 0 0 13 -3,-0.7 4,-1.6 1,-0.2 3,-0.2 0.896 108.1 55.9 -70.8 -41.3 -30.8 23.7 42.2 392 579 A A H < S+ 0 0 0 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.817 103.7 55.4 -58.2 -33.9 -29.9 25.8 39.2 393 580 A L H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 4,-0.3 0.846 105.1 51.8 -70.9 -36.0 -29.1 22.7 37.2 394 581 A E H >< S+ 0 0 61 -4,-1.1 3,-1.5 -3,-0.2 -1,-0.2 0.878 102.9 60.7 -63.5 -36.9 -32.5 21.2 37.9 395 582 A L T 3< S+ 0 0 3 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.556 92.8 65.2 -72.2 -6.1 -34.0 24.4 36.6 396 583 A L T < S+ 0 0 18 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.538 75.2 118.4 -91.2 -8.5 -32.4 23.9 33.1 397 584 A D S X S- 0 0 28 -3,-1.5 3,-2.4 -4,-0.3 388,-0.1 -0.223 84.6-110.2 -51.7 144.6 -34.5 20.8 32.5 398 585 A F T 3 S+ 0 0 11 1,-0.3 -1,-0.1 386,-0.2 -3,-0.0 0.756 113.5 79.3 -50.1 -26.2 -36.9 21.1 29.6 399 586 A S T 3 S+ 0 0 24 1,-0.2 -1,-0.3 -197,-0.2 -195,-0.1 0.596 92.6 53.2 -55.4 -12.9 -39.7 21.1 32.3 400 587 A F < + 0 0 19 -3,-2.4 -1,-0.2 1,-0.1 -198,-0.1 -0.596 59.6 150.4-131.7 73.1 -38.8 24.8 32.8 401 588 A P + 0 0 27 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 0.603 32.9 114.7 -83.9 -17.1 -38.9 26.7 29.5 402 589 A D > - 0 0 4 1,-0.2 4,-2.6 2,-0.1 3,-0.4 -0.356 62.8-142.5 -57.6 127.4 -39.9 30.2 30.7 403 590 A C H > S+ 0 0 67 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.676 100.7 60.6 -77.8 -11.5 -36.9 32.5 30.0 404 591 A Y H > S+ 0 0 66 2,-0.2 4,-2.7 3,-0.2 -1,-0.3 0.865 110.1 42.6 -70.9 -39.2 -37.5 34.4 33.2 405 592 A V H > S+ 0 0 1 -3,-0.4 4,-3.2 2,-0.2 -2,-0.2 0.912 116.0 49.1 -66.4 -44.4 -36.9 31.0 34.9 406 593 A G H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.870 111.9 48.1 -63.5 -41.4 -34.0 30.4 32.5 407 594 A S H X S+ 0 0 44 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.964 112.7 49.2 -56.7 -54.3 -32.6 33.9 33.3 408 595 A F H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.911 111.4 49.5 -52.7 -46.4 -33.1 33.0 37.0 409 596 A A H X S+ 0 0 0 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.915 111.7 47.1 -62.2 -45.7 -31.3 29.7 36.4 410 597 A I H X S+ 0 0 3 -4,-2.6 4,-1.1 2,-0.2 3,-0.4 0.951 109.5 56.1 -58.5 -48.6 -28.3 31.3 34.6 411 598 A K H >< S+ 0 0 96 -4,-3.0 3,-0.7 1,-0.3 4,-0.3 0.883 110.8 42.4 -50.1 -46.8 -28.1 33.9 37.3 412 599 A S H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -1,-0.3 0.764 111.7 58.6 -74.0 -22.2 -27.8 31.3 40.0 413 600 A L H >< S+ 0 0 0 -4,-1.6 3,-1.9 -3,-0.4 -1,-0.2 0.582 80.7 84.5 -80.3 -15.3 -25.4 29.4 37.7 414 601 A R T << S+ 0 0 122 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.1 0.788 77.5 68.4 -63.0 -24.7 -22.9 32.2 37.4 415 602 A K T < S+ 0 0 99 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.491 71.3 126.0 -75.1 1.0 -21.2 31.2 40.7 416 603 A L < - 0 0 6 -3,-1.9 2,-0.1 4,-0.1 -3,-0.0 -0.368 61.9-130.5 -55.7 132.5 -19.9 28.0 39.0 417 604 A T > - 0 0 70 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.394 26.8-107.5 -70.5 163.6 -16.2 27.7 39.4 418 605 A D H > S+ 0 0 58 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.920 121.3 53.7 -62.2 -43.2 -14.4 27.0 36.1 419 606 A D H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 111.4 45.4 -56.2 -45.9 -13.7 23.4 37.1 420 607 A E H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 112.3 51.3 -64.0 -44.6 -17.4 22.9 37.9 421 608 A L H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 3,-0.4 0.953 111.0 48.6 -55.4 -50.2 -18.3 24.5 34.6 422 609 A F H >< S+ 0 0 45 -4,-3.4 3,-1.0 1,-0.2 4,-0.4 0.920 108.9 54.2 -53.2 -48.2 -15.9 22.2 32.9 423 610 A Q H 3< S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 118.6 32.8 -56.3 -37.2 -17.4 19.2 34.7 424 611 A Y H >X S+ 0 0 16 -4,-1.9 4,-2.2 -3,-0.4 3,-0.5 0.310 89.0 106.3-102.8 3.3 -21.0 19.9 33.6 425 612 A L H S+ 0 0 8 -4,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.905 111.4 44.6 -51.2 -44.9 -21.2 18.4 28.2 427 614 A Q H <> S+ 0 0 3 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.882 109.9 53.1 -72.4 -41.7 -24.7 18.7 29.7 428 615 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.897 107.5 52.9 -60.2 -40.0 -25.0 22.5 29.4 429 616 A V H >X S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.5 0.925 106.3 53.7 -59.8 -43.6 -24.2 22.1 25.6 430 617 A Q H >< S+ 0 0 6 -4,-1.6 3,-1.6 1,-0.2 4,-0.3 0.890 100.0 61.1 -57.8 -39.1 -27.0 19.6 25.3 431 618 A V H >< S+ 0 0 3 -4,-1.9 3,-1.6 1,-0.3 4,-0.5 0.739 89.1 72.0 -61.5 -23.6 -29.5 22.1 26.9 432 619 A L H X< S+ 0 0 2 -3,-1.1 3,-1.2 -4,-0.8 -1,-0.3 0.850 88.2 62.2 -60.1 -33.4 -28.8 24.4 23.9 433 620 A K T << S+ 0 0 32 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.676 100.2 55.1 -63.7 -19.1 -30.8 22.0 21.8 434 621 A Y T < S+ 0 0 28 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.614 81.5 121.6 -84.6 -18.2 -33.8 22.8 24.1 435 622 A E < - 0 0 45 -3,-1.2 -144,-0.3 -4,-0.5 3,-0.0 -0.187 54.6-151.5 -61.3 139.0 -33.5 26.5 23.4 436 623 A S S S+ 0 0 13 -35,-0.2 2,-0.3 -146,-0.1 -175,-0.2 0.719 79.1 25.0 -81.5 -23.5 -36.6 28.2 21.9 437 624 A Y S S- 0 0 26 1,-0.1 -1,-0.1 -173,-0.1 -173,-0.0 -0.936 76.5-118.6-141.1 158.3 -34.6 31.0 20.2 438 625 A L S S+ 0 0 3 -2,-0.3 2,-0.6 1,-0.1 5,-0.1 0.960 102.0 59.0 -63.5 -54.6 -31.1 31.5 18.9 439 626 A D S S+ 0 0 68 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.700 76.2 146.4 -82.1 114.9 -30.2 34.4 21.1 440 627 A C >> - 0 0 21 -2,-0.6 4,-2.0 1,-0.1 3,-0.6 -0.996 59.1-108.5-153.4 151.4 -30.5 33.2 24.7 441 628 A E H 3> S+ 0 0 85 -2,-0.3 4,-3.0 1,-0.3 5,-0.1 0.847 115.0 54.5 -47.7 -48.9 -28.9 33.7 28.2 442 629 A L H 3> S+ 0 0 3 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A S H 34 S+ 0 0 53 1,-0.2 4,-0.2 2,-0.1 -180,-0.1 0.692 119.9 23.9 -66.6 -15.4 -31.3 20.0 13.7 473 660 A V H <> S+ 0 0 7 -3,-2.0 4,-3.0 -6,-0.3 5,-0.4 0.521 94.4 94.0-125.8 -9.2 -28.4 21.7 15.4 474 661 A A H X S+ 0 0 14 -4,-1.3 4,-2.2 1,-0.2 5,-0.2 0.877 88.4 48.7 -59.7 -44.0 -25.9 22.7 12.6 475 662 A L H X S+ 0 0 27 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.984 116.7 41.4 -58.1 -60.3 -27.3 26.2 12.2 476 663 A R H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.944 118.5 44.1 -50.4 -59.7 -27.2 26.9 16.0 477 664 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.845 112.7 54.1 -59.8 -34.5 -23.9 25.3 16.7 478 665 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.4 -1,-0.2 0.912 107.9 48.5 -64.2 -47.3 -22.4 26.9 13.6 479 666 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.917 111.9 49.6 -60.1 -46.3 -23.4 30.4 14.7 480 667 A I H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.938 110.9 49.0 -58.3 -49.6 -22.0 29.9 18.2 481 668 A M H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.893 109.8 53.1 -58.4 -40.7 -18.6 28.7 16.8 482 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85.8-152.6 -60.0 -22.1 -3.8 -15.9 27.5 653 840 A N < - 0 0 48 -3,-1.8 2,-0.2 -4,-0.3 -2,-0.1 0.901 15.4-164.5 52.5 52.9 -1.1 -17.3 29.9 654 841 A K - 0 0 118 -5,-0.3 3,-0.4 -4,-0.2 5,-0.2 -0.465 13.0-126.6 -74.0 136.7 1.6 -17.6 27.3 655 842 A S S S+ 0 0 87 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.151 89.1 49.8 -67.0 171.4 4.7 -19.7 28.0 656 843 A N S S+ 0 0 153 1,-0.3 2,-0.2 2,-0.0 -1,-0.2 0.728 94.9 98.6 69.3 20.6 8.2 -18.1 27.7 657 844 A M S S- 0 0 106 -3,-0.4 3,-0.3 -4,-0.0 -1,-0.3 -0.751 84.1-115.2-128.0 175.5 7.2 -15.2 29.8 658 845 A A S S+ 0 0 83 -2,-0.2 16,-0.1 1,-0.2 -3,-0.1 0.561 111.4 60.6 -92.1 -11.0 7.6 -14.3 33.5 659 846 A A S S+ 0 0 18 -5,-0.2 11,-0.2 -4,-0.1 12,-0.2 0.462 72.3 128.2 -92.0 -2.7 3.9 -14.4 34.1 660 847 A T - 0 0 60 -3,-0.3 2,-0.2 -6,-0.1 -5,-0.1 -0.353 41.1-171.4 -62.7 123.3 3.6 -18.1 33.1 661 848 A A - 0 0 21 -2,-0.2 3,-0.1 1,-0.1 6,-0.1 -0.735 40.4-124.8-120.7 163.0 1.8 -20.1 35.9 662 849 A A S S+ 0 0 92 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.830 104.8 31.2 -67.0 -33.8 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360.0 360.0 -94.5 360.0 -28.2 -5.0 27.4 733 ! 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 0.0 734 929 A R 0 0 104 0, 0.0 -31,-0.0 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 90.8 -31.2 -4.7 35.8 735 930 A V - 0 0 20 -35,-0.1 -32,-0.1 1,-0.1 -31,-0.1 -0.504 360.0-129.8 -79.2 133.3 -27.5 -5.6 36.0 736 931 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.291 32.9 -88.8 -76.1 163.8 -26.1 -7.3 39.2 737 932 A F - 0 0 7 86,-0.2 2,-0.5 83,-0.1 -40,-0.1 -0.517 49.8-134.9 -66.2 141.7 -23.1 -6.2 41.1 738 933 A I + 0 0 78 -42,-0.3 2,-0.5 -2,-0.2 -38,-0.1 -0.911 28.9 174.4-115.0 120.6 -20.1 -8.0 39.7 739 934 A L - 0 0 13 -2,-0.5 2,-0.5 88,-0.4 3,-0.0 -0.987 19.4-155.0-117.2 118.1 -17.3 -9.8 41.6 740 935 A T >> - 0 0 60 -2,-0.5 4,-2.5 1,-0.1 3,-1.3 -0.839 15.6-134.7 -98.9 129.4 -14.9 -11.6 39.3 741 936 A Y H 3> S+ 0 0 80 -2,-0.5 4,-2.6 1,-0.3 -1,-0.1 0.799 103.4 52.7 -43.3 -47.2 -12.9 -14.5 40.8 742 937 A D H 3> S+ 0 0 15 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.790 112.5 45.4 -66.6 -31.2 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46.8 -66.2 -47.8 -19.4 0.6 50.7 767 962 A R H X S+ 0 0 115 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.917 113.8 48.5 -57.0 -46.6 -17.7 3.9 51.3 768 963 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 -5,-0.2 -2,-0.2 0.939 114.4 46.9 -60.4 -44.8 -17.6 4.6 47.5 769 964 A Y H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.929 111.1 48.9 -65.9 -46.1 -21.3 3.7 47.2 770 965 A T H X S+ 0 0 14 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.859 108.7 54.6 -67.6 -32.2 -22.5 5.8 50.2 771 966 A I H >X S+ 0 0 3 -4,-2.0 4,-0.9 -5,-0.2 3,-0.5 0.918 106.5 50.9 -63.1 -43.1 -20.6 8.9 49.0 772 967 A L H >< S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 7,-0.2 0.885 103.4 60.6 -63.9 -38.5 -22.3 8.7 45.5 773 968 A R H >< S+ 0 0 28 -4,-1.8 3,-1.3 1,-0.2 4,-0.3 0.815 97.7 58.2 -52.9 -36.9 -25.8 8.5 47.3 774 969 A R H << S+ 0 0 140 -4,-1.0 3,-0.2 -3,-0.5 -1,-0.2 0.795 113.3 38.1 -70.4 -28.6 -25.2 11.8 48.9 775 970 A H T XX S+ 0 0 52 -4,-0.9 4,-1.6 -3,-0.7 3,-1.1 0.034 81.5 121.9-102.9 23.7 -24.8 13.4 45.5 776 971 A G H <> S+ 0 0 1 -3,-1.3 4,-2.0 1,-0.3 -1,-0.2 0.895 71.8 54.6 -50.1 -44.5 -27.5 11.2 44.0 777 972 A L H 3> S+ 0 0 86 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.3 0.775 101.7 58.1 -62.4 -29.6 -29.5 14.3 43.0 778 973 A L H <> S+ 0 0 10 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.934 107.2 46.2 -68.0 -46.9 -26.5 15.7 41.1 779 974 A F H X S+ 0 0 0 -4,-1.6 4,-3.1 -7,-0.2 5,-0.2 0.914 113.0 52.0 -57.7 -44.2 -26.3 12.6 38.9 780 975 A L H X S+ 0 0 21 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.896 111.1 44.6 -58.7 -47.3 -30.1 12.8 38.4 781 976 A H H X S+ 0 0 22 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.887 115.9 49.0 -68.3 -37.4 -30.1 16.4 37.3 782 977 A L H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 3,-0.3 0.955 112.4 45.6 -65.0 -51.1 -27.2 15.8 35.0 783 978 A F H X S+ 0 0 0 -4,-3.1 4,-0.7 1,-0.2 -2,-0.2 0.863 110.3 57.0 -57.7 -36.3 -28.7 12.7 33.4 784 979 A A H >< S+ 0 0 15 -4,-2.0 3,-0.6 1,-0.2 -386,-0.2 0.855 106.7 47.5 -63.1 -39.3 -32.0 14.6 33.0 785 980 A L H >< S+ 0 0 1 -4,-1.4 3,-1.3 -3,-0.3 -1,-0.2 0.803 103.8 64.1 -71.8 -26.0 -30.2 17.3 31.0 786 981 A M H >< S+ 0 0 5 -4,-1.4 3,-2.6 1,-0.3 5,-0.4 0.642 76.9 84.4 -74.4 -18.0 -28.6 14.6 28.9 787 982 A R G X< S+ 0 0 98 -4,-0.7 3,-0.7 -3,-0.6 -1,-0.3 0.713 78.6 69.9 -54.9 -21.3 -31.9 13.5 27.6 788 983 A A G < S+ 0 0 16 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.545 82.9 75.9 -72.9 -6.6 -31.4 16.3 25.1 789 984 A A G < S- 0 0 9 -3,-2.6 -1,-0.2 5,-0.2 -2,-0.2 0.808 94.3-131.5 -76.4 -32.3 -28.6 14.3 23.5 790 985 A G < + 0 0 59 -3,-0.7 -3,-0.1 4,-0.3 -2,-0.1 0.383 45.2 162.6 89.4 -2.6 -30.7 11.7 21.6 791 986 A L > - 0 0 3 -5,-0.4 3,-1.4 3,-0.2 -1,-0.3 -0.238 39.6-137.7 -48.8 129.0 -28.7 8.7 22.9 792 987 A P T 3 S+ 0 0 97 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.807 102.6 50.9 -69.3 -26.3 -30.8 5.6 22.4 793 988 A E T 3 S+ 0 0 24 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.397 111.4 50.6 -87.8 4.1 -29.9 4.2 25.9 794 989 A L S < S+ 0 0 2 -3,-1.4 -4,-0.3 1,-0.1 -1,-0.2 -0.506 76.4 116.4-136.4 62.6 -30.9 7.5 27.5 795 990 A S + 0 0 71 -3,-0.4 2,-0.2 1,-0.1 -2,-0.1 0.742 68.2 8.2-105.6 -32.8 -34.4 8.0 26.0 796 991 A C S >> S- 0 0 49 -3,-0.1 3,-1.5 1,-0.0 4,-1.1 -0.832 83.8 -75.5-149.0 179.0 -37.0 7.9 28.7 797 992 A S H 3> S+ 0 0 80 1,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.780 117.4 66.4 -51.1 -37.7 -38.0 7.8 32.4 798 993 A K H 3> S+ 0 0 168 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.826 100.7 49.4 -58.2 -36.5 -37.1 4.1 32.6 799 994 A D H <> S+ 0 0 11 -3,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.871 112.6 45.8 -71.2 -40.9 -33.4 5.0 32.1 800 995 A I H >X S+ 0 0 21 -4,-1.1 3,-1.2 1,-0.2 4,-1.0 0.923 109.2 56.9 -64.1 -45.6 -33.5 7.7 34.8 801 996 A Q H 3X S+ 0 0 80 -4,-3.1 4,-2.3 1,-0.3 5,-0.2 0.779 94.5 67.0 -56.2 -33.6 -35.3 5.3 37.1 802 997 A Y H 3X S+ 0 0 18 -4,-1.1 4,-1.9 1,-0.2 -1,-0.3 0.904 100.9 49.1 -52.1 -43.0 -32.4 2.9 36.6 803 998 A L H S+ 0 0 82 -4,-1.0 5,-1.4 2,-0.2 4,-0.5 0.892 111.8 44.9 -66.5 -44.5 -32.8 5.8 41.4 805 1000 A D H <5S+ 0 0 81 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.844 113.1 51.5 -71.6 -32.1 -32.9 2.0 41.9 806 1001 A S H <5S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.918 118.0 36.2 -70.9 -42.7 -29.1 1.8 41.7 807 1002 A L T <5S- 0 0 3 -4,-2.1 -1,-0.2 -106,-0.1 -2,-0.2 0.406 99.6-138.2 -88.8 2.7 -28.4 4.5 44.3 808 1003 A A T > 5 + 0 0 7 -4,-0.5 3,-1.5 -3,-0.2 8,-0.2 0.882 35.2 172.9 39.2 55.0 -31.5 3.4 46.3 809 1004 A L T 3 < + 0 0 56 -5,-1.4 -1,-0.1 1,-0.3 -4,-0.1 0.834 65.3 61.0 -64.7 -37.1 -32.4 7.1 46.8 810 1005 A G T 3 S+ 0 0 88 -6,-0.2 -1,-0.3 6,-0.0 2,-0.2 0.379 96.2 82.3 -72.2 4.8 -35.8 6.6 48.5 811 1006 A K S < S- 0 0 88 -3,-1.5 2,-0.1 1,-0.1 0, 0.0 -0.687 86.1-107.8-105.9 160.2 -34.1 4.7 51.3 812 1007 A T > - 0 0 73 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.427 42.6-105.0 -69.3 161.8 -32.3 5.8 54.5 813 1008 A E H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.869 123.7 57.4 -59.2 -32.0 -28.5 5.2 54.3 814 1009 A E H > S+ 0 0 152 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 110.1 40.7 -62.2 -49.4 -29.1 2.2 56.6 815 1010 A E H > S+ 0 0 103 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.948 114.4 50.8 -66.3 -51.9 -31.6 0.5 54.2 816 1011 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.879 111.8 49.1 -53.8 -40.7 -29.7 1.3 51.0 817 1012 A L H X S+ 0 0 19 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.921 110.1 50.7 -66.2 -45.2 -26.5 -0.1 52.6 818 1013 A K H X S+ 0 0 143 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.943 114.2 45.4 -50.4 -53.0 -28.4 -3.2 53.7 819 1014 A H H X S+ 0 0 60 -4,-3.1 4,-2.0 1,-0.2 3,-0.4 0.940 110.8 51.4 -58.7 -52.5 -29.7 -3.6 50.1 820 1015 A F H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.864 106.8 57.6 -55.5 -35.3 -26.2 -3.0 48.6 821 1016 A R H X S+ 0 0 100 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.872 103.7 48.9 -66.5 -41.4 -24.8 -5.7 50.9 822 1017 A V H X S+ 0 0 58 -4,-1.5 4,-3.5 -3,-0.4 5,-0.2 0.932 112.4 50.4 -62.7 -43.1 -27.2 -8.4 49.7 823 1018 A K H X S+ 0 0 51 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.900 113.7 45.0 -59.2 -44.3 -26.2 -7.4 46.1 824 1019 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 3,-0.3 0.946 115.3 46.2 -64.7 -51.3 -22.5 -7.6 47.1 825 1020 A N H X S+ 0 0 53 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.926 110.5 53.2 -57.0 -48.0 -22.9 -10.9 48.9 826 1021 A E H X S+ 0 0 103 -4,-3.5 4,-1.4 1,-0.2 -1,-0.2 0.812 109.1 52.0 -55.5 -31.4 -25.0 -12.3 46.0 827 1022 A A H X S+ 0 0 4 -4,-1.2 4,-1.5 -3,-0.3 -88,-0.4 0.841 104.6 52.7 -76.7 -37.4 -22.0 -11.3 43.8 828 1023 A L H < S+ 0 0 60 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.879 108.0 53.9 -62.6 -38.0 -19.4 -13.1 45.9 829 1024 A R H < S+ 0 0 163 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 102.4 56.5 -58.4 -46.8 -21.6 -16.3 45.6 830 1025 A E H < S+ 0 0 165 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.2 0.870 86.0 89.9 -57.5 -39.5 -21.5 -15.9 41.8 831 1026 A S < 0 0 20 -4,-1.5 -91,-0.1 -91,-0.1 -93,-0.0 -0.493 360.0 360.0 -57.7 113.3 -17.7 -16.0 42.0 832 1027 A W 0 0 246 -2,-0.4 -92,-0.0 0, 0.0 0, 0.0 0.092 360.0 360.0 18.9 360.0 -17.2 -19.8 41.7