==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUN-10 3NR9 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE CLK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.CHAIKUAD,P.SAVITSKY,T.KROJER,J.R.C.MUNIZ,P.FILIPPAKOPOULOS . 1035 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 65 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 4 2 4 3 0 3 0 0 3 3 0 0 2 1 0 0 6 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 10 3 0 6 2 3 3 0 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 . 9 0 3 0 3 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 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 1 137 A S 0 0 187 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.9 85.5 -8.5 11.1 2 138 A R - 0 0 118 9,-0.0 2,-0.4 1,-0.0 0, 0.0 -0.725 360.0 -97.4-119.4 163.9 88.9 -9.0 9.3 3 139 A R - 0 0 192 -2,-0.3 8,-0.1 1,-0.1 2,-0.0 -0.611 27.8-132.6 -87.8 121.4 92.6 -9.0 10.2 4 140 A A - 0 0 61 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.377 21.3-171.3 -61.2 147.8 94.8 -6.0 9.6 5 141 A K + 0 0 163 1,-0.3 2,-0.3 -2,-0.0 -1,-0.1 0.456 54.0 12.6-130.3 4.4 97.9 -7.0 7.9 6 142 A S S > S- 0 0 74 1,-0.1 3,-0.5 0, 0.0 -1,-0.3 -0.979 81.2 -90.7-169.4 166.8 100.3 -4.1 7.9 7 143 A V T 3 S+ 0 0 146 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.796 124.8 41.6 -56.1 -30.9 101.1 -0.7 9.3 8 144 A E T 3 S+ 0 0 177 -3,-0.0 -1,-0.3 3,-0.0 2,-0.2 -0.683 83.0 168.3-121.6 77.5 99.1 0.8 6.4 9 145 A D X - 0 0 28 -3,-0.5 3,-1.5 -2,-0.4 -5,-0.1 -0.580 46.7-127.0 -91.3 148.3 96.0 -1.4 5.9 10 146 A D T 3 S+ 0 0 77 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.753 108.7 72.0 -53.3 -27.0 92.9 -0.7 3.7 11 147 A A T > S+ 0 0 31 2,-0.1 3,-0.6 -8,-0.1 -1,-0.2 0.692 84.0 89.4 -65.6 -19.4 91.0 -1.4 7.0 12 148 A E T < S+ 0 0 134 -3,-1.5 48,-0.1 1,-0.2 -4,-0.0 -0.479 77.1 29.0 -84.7 150.0 92.2 1.9 8.4 13 149 A G T 3 S+ 0 0 25 1,-0.3 48,-2.3 -2,-0.2 -1,-0.2 0.303 82.1 133.8 91.5 -7.3 90.6 5.3 8.2 14 150 A H < - 0 0 28 -3,-0.6 2,-0.5 46,-0.2 -1,-0.3 -0.239 59.3-110.8 -71.6 165.5 87.0 4.1 7.9 15 151 A L - 0 0 27 43,-0.1 2,-0.2 25,-0.0 -1,-0.1 -0.866 30.5-127.4 -95.4 128.9 84.0 5.5 9.9 16 152 A I + 0 0 139 -2,-0.5 2,-0.3 2,-0.0 -1,-0.0 -0.532 43.5 149.4 -72.3 136.5 82.6 3.2 12.4 17 153 A Y - 0 0 31 -2,-0.2 2,-0.3 4,-0.0 3,-0.0 -0.963 30.8-148.7-157.5 168.6 78.9 2.6 12.2 18 154 A H > - 0 0 123 -2,-0.3 3,-2.3 13,-0.0 11,-0.2 -0.982 42.4 -84.4-140.7 150.0 76.3 -0.0 12.9 19 155 A V T 3 S+ 0 0 101 -2,-0.3 11,-0.2 1,-0.2 3,-0.1 -0.258 117.3 34.7 -54.8 138.8 73.0 -0.7 11.1 20 156 A G T 3 S+ 0 0 38 9,-3.1 -1,-0.2 1,-0.4 10,-0.1 0.037 86.1 128.5 100.1 -24.5 70.3 1.6 12.6 21 157 A D < - 0 0 67 -3,-2.3 8,-2.7 8,-0.2 -1,-0.4 -0.305 49.0-142.2 -61.0 147.0 72.6 4.5 13.2 22 158 A W E -A 28 0A 122 6,-0.2 2,-0.4 -3,-0.1 6,-0.2 -0.869 6.3-152.7-111.1 148.2 71.6 7.9 11.9 23 159 A L E >> S-A 27 0A 6 4,-1.6 4,-2.5 -2,-0.3 3,-2.2 -0.971 79.6 -3.7-121.2 137.7 73.8 10.5 10.3 24 160 A Q T 34 S- 0 0 84 -2,-0.4 -1,-0.1 1,-0.3 75,-0.0 0.755 118.9 -76.7 52.6 29.5 73.1 14.2 10.4 25 161 A E T 34 S+ 0 0 177 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.845 130.6 73.8 50.5 37.1 69.8 13.2 12.0 26 162 A R T <4 S+ 0 0 8 -3,-2.2 21,-1.8 1,-0.3 2,-0.6 0.579 72.4 64.7-143.7 -51.2 68.8 12.2 8.5 27 163 A Y E < -AB 23 46A 1 -4,-2.5 -4,-1.6 19,-0.2 2,-0.7 -0.821 58.3-157.4 -97.6 121.7 70.3 9.1 7.0 28 164 A E E -AB 22 45A 61 17,-2.3 17,-1.8 -2,-0.6 2,-0.5 -0.862 19.3-132.6 -96.9 115.1 69.5 5.7 8.6 29 165 A I E + B 0 44A 0 -8,-2.7 -9,-3.1 -2,-0.7 15,-0.2 -0.536 33.2 168.4 -69.5 118.4 72.1 3.2 7.8 30 166 A V E - 0 0 44 13,-3.0 2,-0.3 -2,-0.5 14,-0.2 0.791 59.2 -20.6-100.1 -39.8 70.3 0.0 6.7 31 167 A S E - B 0 43A 34 12,-1.4 12,-3.1 -13,-0.1 2,-0.4 -0.976 61.9-101.3-166.7 158.8 73.1 -2.1 5.2 32 168 A T E - B 0 42A 71 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.770 24.7-171.3 -89.0 129.5 76.7 -2.1 3.8 33 169 A L E - 0 0 89 8,-2.7 2,-0.2 -2,-0.4 9,-0.2 0.655 58.3 -51.7 -96.3 -18.2 76.8 -2.3 -0.0 34 170 A G E - B 0 41A 33 7,-1.3 7,-2.3 2,-0.0 2,-0.4 -0.905 45.6-112.7 163.1 170.3 80.6 -2.7 -0.4 35 171 A E E + B 0 40A 76 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.974 26.3 171.5-129.1 148.4 84.1 -1.5 0.4 36 172 A G E > - B 0 39A 22 3,-2.9 3,-1.8 -2,-0.4 -2,-0.0 -0.912 53.9 -87.2-143.9 172.5 86.8 0.1 -1.8 37 173 A T T 3 S+ 0 0 86 1,-0.3 23,-0.1 -2,-0.3 3,-0.1 0.807 127.1 53.9 -53.0 -28.4 90.2 1.7 -1.2 38 174 A F T 3 S- 0 0 47 1,-0.2 22,-2.7 21,-0.1 2,-0.3 0.750 122.0 -85.2 -74.2 -28.4 88.3 5.0 -0.8 39 175 A G E < -BC 36 59A 0 -3,-1.8 -3,-2.9 20,-0.2 2,-0.3 -0.984 57.4 -47.4 154.0-154.9 85.9 3.9 1.9 40 176 A R E -BC 35 58A 57 18,-1.9 18,-3.1 -2,-0.3 2,-0.4 -0.899 32.3-143.3-120.2 154.0 82.5 2.1 2.2 41 177 A V E -BC 34 57A 33 -7,-2.3 -8,-2.7 -2,-0.3 -7,-1.3 -0.980 24.1-171.2-111.4 131.7 79.2 2.5 0.4 42 178 A V E -BC 32 56A 0 14,-3.0 14,-3.1 -2,-0.4 2,-0.4 -0.963 24.5-122.3-127.8 140.0 76.1 2.0 2.7 43 179 A Q E +BC 31 55A 33 -12,-3.1 -13,-3.0 -2,-0.4 -12,-1.4 -0.671 41.6 179.3 -78.1 127.6 72.4 1.7 1.9 44 180 A C E -BC 29 54A 0 10,-2.7 10,-2.6 -2,-0.4 2,-0.6 -0.865 33.1-127.5-129.2 159.8 70.5 4.4 3.8 45 181 A V E -BC 28 53A 16 -17,-1.8 -17,-2.3 -2,-0.3 2,-0.6 -0.959 26.8-143.7-103.7 120.7 67.0 5.6 4.3 46 182 A D E > -B 27 0A 0 6,-3.3 5,-1.7 -2,-0.6 3,-0.4 -0.773 17.7-177.2 -87.8 122.1 66.8 9.4 3.7 47 183 A H T 5S+ 0 0 79 -21,-1.8 3,-0.3 -2,-0.6 -1,-0.1 0.469 81.7 58.0-102.1 -5.6 64.4 11.0 6.1 48 184 A R T 5S+ 0 0 80 1,-0.2 -1,-0.2 -22,-0.1 594,-0.1 -0.024 110.5 52.1 -97.9 27.5 64.7 14.6 4.7 49 185 A R T > 5S- 0 0 65 -3,-0.4 3,-1.5 -23,-0.1 -3,-0.2 -0.094 124.9 -81.3-162.7 42.9 63.6 13.0 1.4 50 186 A G T 3 5S- 0 0 80 -3,-0.3 -3,-0.2 1,-0.3 3,-0.1 0.231 83.3 -65.3 81.5 -11.8 60.4 10.9 1.7 51 187 A G T 3 S- 0 0 59 -2,-1.2 4,-2.8 39,-0.1 3,-0.4 -0.987 72.8-120.7-137.7 144.6 92.6 10.5 5.2 63 199 A E H > S+ 0 0 177 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.864 108.2 45.5 -55.4 -47.9 94.1 13.4 3.3 64 200 A K H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 118.0 42.1 -64.9 -38.3 94.5 11.6 -0.1 65 201 A Y H > S+ 0 0 49 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.855 115.0 51.3 -78.9 -32.3 91.1 10.1 -0.2 66 202 A K H X S+ 0 0 38 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.872 109.8 49.7 -71.7 -36.7 89.5 13.2 1.2 67 203 A E H X S+ 0 0 99 -4,-2.6 4,-2.3 -5,-0.3 3,-0.3 0.956 110.6 49.7 -62.3 -51.1 91.2 15.3 -1.5 68 204 A A H X S+ 0 0 34 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.852 110.1 52.7 -53.1 -39.3 90.0 12.9 -4.2 69 205 A A H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.822 106.3 50.9 -72.9 -32.6 86.5 13.1 -2.8 70 206 A R H X S+ 0 0 122 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.936 113.4 46.5 -68.2 -43.1 86.4 16.9 -2.9 71 207 A L H X S+ 0 0 64 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.898 111.3 51.9 -57.8 -45.6 87.5 16.7 -6.5 72 208 A E H X S+ 0 0 4 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.859 105.6 58.3 -60.1 -37.1 84.8 14.0 -7.1 73 209 A I H X S+ 0 0 7 -4,-1.9 4,-2.0 1,-0.2 3,-0.5 0.976 107.8 40.6 -62.7 -56.1 82.2 16.3 -5.6 74 210 A N H X S+ 0 0 63 -4,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.790 110.0 59.6 -72.3 -21.2 82.6 19.2 -8.0 75 211 A V H X S+ 0 0 2 -4,-1.6 4,-0.9 2,-0.2 -1,-0.3 0.914 110.2 44.3 -62.8 -40.5 83.0 16.9 -11.0 76 212 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 -3,-0.5 -2,-0.2 0.833 111.0 53.8 -68.8 -35.2 79.5 15.6 -10.0 77 213 A E H X S+ 0 0 90 -4,-2.0 4,-2.1 1,-0.2 3,-0.2 0.962 108.4 48.4 -64.5 -49.6 78.3 19.2 -9.4 78 214 A K H X S+ 0 0 27 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.734 109.2 56.5 -62.4 -23.3 79.4 20.2 -12.9 79 215 A I H X S+ 0 0 4 -4,-0.9 4,-0.7 2,-0.2 3,-0.4 0.889 108.5 43.4 -72.3 -44.2 77.6 17.1 -14.2 80 216 A N H < S+ 0 0 44 -4,-2.0 3,-0.2 -3,-0.2 -2,-0.2 0.823 110.0 60.1 -66.7 -31.9 74.2 18.0 -12.7 81 217 A E H < S+ 0 0 153 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.731 112.1 37.1 -63.6 -28.7 74.9 21.6 -14.0 82 218 A K H < S+ 0 0 135 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.438 127.7 32.8-106.9 -6.1 75.1 20.3 -17.6 83 219 A D >< + 0 0 23 -4,-0.7 3,-0.9 -3,-0.2 -1,-0.2 -0.651 59.7 170.9-150.8 89.7 72.4 17.6 -17.4 84 220 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.877 79.2 53.7 -67.1 -37.0 69.5 18.5 -15.0 85 221 A D T 3 S- 0 0 90 1,-0.1 -5,-0.1 3,-0.0 -2,-0.0 0.225 106.3-120.0 -86.9 15.7 67.2 15.6 -16.1 86 222 A N S X S+ 0 0 21 -3,-0.9 3,-0.6 -6,-0.1 -1,-0.1 0.749 72.4 133.3 47.9 31.6 69.9 12.8 -15.5 87 223 A K T 3 + 0 0 78 1,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.618 50.1 82.5 -79.3 -14.2 69.7 11.8 -19.2 88 224 A N T 3 S- 0 0 14 -5,-0.1 56,-0.2 2,-0.1 -1,-0.2 0.535 96.9-125.0 -69.9 -13.4 73.5 11.7 -19.4 89 225 A L S < S+ 0 0 19 -3,-0.6 94,-1.8 1,-0.3 2,-0.3 0.525 71.4 119.8 75.2 8.4 74.0 8.1 -17.9 90 226 A C B S-f 183 0B 0 92,-0.2 -1,-0.3 1,-0.1 94,-0.2 -0.790 77.3 -88.1 -94.7 150.9 76.3 9.2 -15.1 91 227 A V - 0 0 6 92,-2.1 2,-0.6 -2,-0.3 -1,-0.1 -0.163 41.9-116.4 -61.8 149.1 75.1 8.4 -11.6 92 228 A Q - 0 0 54 -6,-0.1 16,-1.6 16,-0.1 2,-0.4 -0.797 20.4-153.5 -96.1 119.0 73.0 11.1 -9.9 93 229 A M E -E 107 0A 13 -2,-0.6 14,-0.2 14,-0.2 3,-0.1 -0.777 10.1-175.1 -85.8 131.2 74.4 12.7 -6.7 94 230 A F E - 0 0 40 12,-3.0 2,-0.3 -2,-0.4 -1,-0.2 0.916 60.8 -30.6 -91.4 -62.2 71.7 14.0 -4.4 95 231 A D E - 0 0 17 11,-0.4 11,-2.7 2,-0.0 -1,-0.4 -0.899 52.2-150.4-145.8-178.9 73.8 15.8 -1.7 96 232 A W E +E 105 0A 113 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.988 13.8 170.9-150.0 156.4 77.2 15.7 0.1 97 233 A F E -E 104 0A 19 7,-2.5 7,-2.5 -2,-0.3 2,-0.4 -0.980 35.1-111.7-165.8 153.2 78.7 16.7 3.4 98 234 A D E -E 103 0A 71 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.746 30.1-168.4 -83.7 133.2 81.7 16.5 5.7 99 235 A Y E > -E 102 0A 47 3,-2.1 3,-2.8 -2,-0.4 -2,-0.0 -0.882 69.9 -45.1-131.0 96.3 81.1 14.3 8.7 100 236 A H T 3 S- 0 0 153 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.814 124.5 -39.2 44.6 41.4 83.8 14.6 11.3 101 237 A G T 3 S+ 0 0 10 1,-0.2 2,-0.7 -35,-0.0 -1,-0.3 0.123 118.5 110.7 100.2 -18.8 86.3 14.4 8.5 102 238 A H E < - E 0 99A 15 -3,-2.8 -3,-2.1 -41,-0.1 -1,-0.2 -0.815 63.1-141.1 -92.8 117.5 84.5 11.7 6.4 103 239 A M E - E 0 98A 3 -2,-0.7 -44,-2.9 -43,-0.4 2,-0.4 -0.579 20.4-160.6 -73.8 139.9 83.2 13.2 3.2 104 240 A C E -DE 58 97A 0 -7,-2.5 -7,-2.5 -2,-0.2 2,-0.4 -0.996 10.2-171.0-130.2 132.6 79.8 11.7 2.5 105 241 A I E -DE 57 96A 0 -48,-2.1 -48,-3.4 -2,-0.4 2,-0.5 -0.982 12.0-147.1-127.5 132.9 78.0 11.6 -0.9 106 242 A S E +D 56 0A 0 -11,-2.7 -12,-3.0 -2,-0.4 -11,-0.4 -0.855 22.4 175.1-103.3 127.6 74.5 10.5 -1.4 107 243 A F E -DE 55 93A 19 -52,-2.9 -52,-3.5 -2,-0.5 -14,-0.2 -0.937 40.3 -88.8-129.1 154.1 73.5 8.7 -4.7 108 244 A E E -D 54 0A 42 -16,-1.6 2,-0.5 -2,-0.3 -54,-0.2 -0.316 55.3-104.2 -51.4 137.7 70.4 7.0 -6.2 109 245 A L + 0 0 62 -56,-0.8 -1,-0.1 -65,-0.1 2,-0.1 -0.609 50.9 173.1 -72.4 120.4 70.4 3.4 -5.1 110 246 A L - 0 0 31 -2,-0.5 53,-0.2 1,-0.2 2,-0.1 -0.103 26.0-101.3-106.4-153.9 71.4 1.2 -8.1 111 247 A G - 0 0 22 51,-2.7 -1,-0.2 1,-0.3 53,-0.1 -0.362 56.7 -42.3-115.9-161.5 72.2 -2.5 -8.5 112 248 A L - 0 0 66 -2,-0.1 50,-2.3 49,-0.1 -1,-0.3 -0.280 65.3-102.3 -64.8 153.0 75.2 -4.7 -8.7 113 249 A S B > -G 161 0B 5 48,-0.2 4,-2.5 1,-0.1 48,-0.3 -0.299 29.6-110.8 -69.9 161.5 78.2 -3.6 -10.8 114 250 A T H > S+ 0 0 0 46,-2.8 4,-1.1 43,-1.0 44,-0.2 0.778 120.9 49.5 -67.2 -27.6 78.7 -5.2 -14.2 115 251 A F H > S+ 0 0 34 42,-1.1 4,-2.9 45,-0.3 -1,-0.2 0.914 110.4 47.2 -70.1 -51.4 81.8 -6.9 -12.7 116 252 A D H > S+ 0 0 56 2,-0.2 4,-2.9 41,-0.2 -2,-0.2 0.854 110.0 52.7 -66.8 -32.9 80.1 -8.2 -9.6 117 253 A F H X S+ 0 0 5 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.956 112.9 45.8 -62.2 -48.2 77.1 -9.6 -11.6 118 254 A L H ><>S+ 0 0 2 -4,-1.1 5,-1.9 -5,-0.2 3,-1.2 0.947 114.4 47.0 -54.8 -55.9 79.6 -11.4 -13.9 119 255 A K H ><5S+ 0 0 97 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.931 110.7 51.6 -53.4 -51.1 81.6 -12.7 -10.9 120 256 A D H 3<5S+ 0 0 70 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.617 108.4 55.3 -66.0 -10.5 78.5 -13.8 -9.1 121 257 A N T X<5S- 0 0 13 -3,-1.2 3,-1.6 -4,-0.6 -1,-0.3 -0.110 125.1 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-11,-0.3 2,-0.7 1,-0.3 -1,-0.1 0.896 96.1 37.1 -74.6 -41.9 92.2 -9.0 -21.7 239 381 A F + 0 0 0 -35,-0.3 2,-1.3 2,-0.1 -1,-0.3 -0.766 69.0 179.8-114.5 86.6 95.4 -8.1 -20.0 240 382 A Q + 0 0 92 -2,-0.7 2,-0.3 -3,-0.4 52,-0.0 -0.701 43.9 101.1 -88.7 96.0 95.9 -10.2 -16.9 241 383 A T - 0 0 4 -2,-1.3 -2,-0.1 1,-0.0 -37,-0.1 -0.969 53.7-156.7-163.8 162.7 99.3 -8.9 -15.7 242 384 A H S S+ 0 0 135 -2,-0.3 2,-0.4 -39,-0.1 -39,-0.1 0.293 71.0 81.5-129.9 8.3 100.8 -6.6 -13.1 243 385 A D S > S- 0 0 81 1,-0.1 4,-2.4 -40,-0.0 5,-0.1 -0.935 70.5-136.7-120.6 134.9 104.1 -5.7 -14.7 244 386 A N H > S+ 0 0 26 -2,-0.4 4,-2.9 2,-0.2 5,-0.2 0.914 104.0 47.6 -49.9 -53.7 104.7 -3.0 -17.3 245 387 A R H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.931 115.3 45.2 -64.5 -41.5 107.1 -5.1 -19.5 246 388 A E H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 112.1 53.3 -62.1 -41.6 104.8 -8.2 -19.4 247 389 A H H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.945 111.7 44.5 -62.2 -48.4 101.8 -5.9 -20.1 248 390 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.917 111.2 54.0 -62.6 -45.3 103.6 -4.5 -23.1 249 391 A A H X S+ 0 0 6 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.886 109.7 49.6 -49.7 -43.6 104.6 -8.0 -24.2 250 392 A M H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.925 108.4 51.2 -67.8 -43.7 101.0 -8.9 -24.0 251 393 A M H X>S+ 0 0 0 -4,-2.3 4,-4.1 1,-0.2 5,-0.6 0.953 108.1 52.8 -56.4 -51.1 99.8 -6.0 -26.1 252 394 A E H X5S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.931 111.6 45.4 -54.5 -47.9 102.3 -6.8 -28.8 253 395 A R H <5S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.877 122.6 35.3 -61.7 -40.5 101.1 -10.3 -29.0 254 396 A I H <5S+ 0 0 6 -4,-2.4 42,-2.3 41,-0.2 43,-0.2 0.876 134.8 22.0 -82.2 -38.5 97.4 -9.5 -29.0 255 397 A L H <5S- 0 0 39 -4,-4.1 -3,-0.2 1,-0.3 -2,-0.2 0.552 107.1-108.8-108.9 -12.6 97.5 -6.3 -30.9 256 398 A G << - 0 0 27 -4,-2.5 -1,-0.3 -5,-0.6 -2,-0.1 -0.465 61.6 -20.9 95.1-179.1 100.7 -6.3 -33.0 257 399 A P - 0 0 103 0, 0.0 63,-0.1 0, 0.0 3,-0.0 -0.283 63.3-109.6 -76.8 149.6 103.9 -4.3 -32.5 258 400 A I - 0 0 12 1,-0.1 2,-0.2 -10,-0.1 19,-0.1 -0.471 42.1-103.9 -70.4 135.0 104.3 -1.0 -30.7 259 401 A P >> - 0 0 37 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.444 21.3-134.8 -64.4 130.6 104.9 2.0 -33.0 260 402 A S H 3> S+ 0 0 60 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.834 103.1 67.8 -54.1 -36.8 108.6 3.1 -32.9 261 403 A R H 3> S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.962 106.6 41.1 -47.3 -51.2 107.5 6.7 -32.6 262 404 A M H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.912 114.0 51.5 -65.5 -44.2 106.2 5.8 -29.1 263 405 A I H < S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.936 113.7 46.0 -54.9 -46.9 109.2 3.6 -28.2 264 406 A R H < S+ 0 0 163 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.9 45.9 -67.0 -36.7 111.6 6.3 -29.2 265 407 A K H < S+ 0 0 133 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.747 88.3 102.6 -85.5 -22.4 109.8 9.2 -27.4 266 408 A T < - 0 0 3 -4,-1.9 -53,-0.1 -5,-0.2 -52,-0.1 -0.361 60.3-152.0 -65.1 132.9 109.2 7.4 -24.1 267 409 A R S S+ 0 0 176 -55,-0.5 2,-2.2 -54,-0.4 3,-0.2 0.671 88.7 85.3 -70.1 -19.4 111.4 8.2 -21.1 268 410 A K > + 0 0 43 -56,-0.5 3,-1.2 1,-0.2 -1,-0.2 -0.285 53.3 148.9 -78.6 55.6 110.7 4.7 -20.0 269 411 A Q G > + 0 0 84 -2,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.590 45.4 85.6 -69.7 -8.2 113.5 3.6 -22.2 270 412 A K G 3 S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.746 82.4 57.9 -71.9 -21.7 114.3 0.6 -20.0 271 413 A Y G < S+ 0 0 15 -3,-1.2 7,-3.0 -8,-0.1 2,-0.4 0.262 101.6 71.8 -90.0 11.7 111.8 -1.7 -21.6 272 414 A F E < +K 277 0E 17 -3,-1.6 2,-0.3 5,-0.3 5,-0.2 -0.979 50.8 178.9-135.2 141.5 113.4 -1.3 -25.0 273 415 A Y E > S-K 276 0E 136 3,-2.6 3,-2.6 -2,-0.4 6,-0.1 -0.984 74.6 -0.2-137.8 145.8 116.6 -2.4 -26.8 274 416 A R T 3 S- 0 0 188 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.852 130.1 -57.3 38.3 45.8 117.7 -1.7 -30.4 275 417 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -12,-0.1 2,-0.3 0.381 121.0 85.3 79.3 -5.6 114.5 0.2 -31.0 276 418 A R E < S-K 273 0E 180 -3,-2.6 -3,-2.6 -13,-0.1 -1,-0.2 -0.821 93.0 -72.6-119.4 167.5 112.1 -2.6 -30.1 277 419 A L E -K 272 0E 15 -2,-0.3 2,-1.2 -5,-0.2 -5,-0.3 -0.344 48.4-123.7 -50.1 131.1 110.5 -3.9 -27.0 278 420 A D + 0 0 74 -7,-3.0 2,-0.3 2,-0.0 -1,-0.1 -0.689 63.9 126.7 -85.1 91.5 113.1 -5.8 -25.0 279 421 A W - 0 0 57 -2,-1.2 2,-0.6 -6,-0.1 -2,-0.1 -0.832 48.9-149.0-160.2 110.2 111.4 -9.1 -24.6 280 422 A D > - 0 0 92 -2,-0.3 3,-0.9 1,-0.1 6,-0.2 -0.724 5.7-161.3 -85.4 117.5 112.7 -12.6 -25.5 281 423 A E T 3 S+ 0 0 112 -2,-0.6 -1,-0.1 1,-0.2 9,-0.1 0.626 84.0 65.4 -71.7 -14.2 109.9 -14.8 -26.6 282 424 A N T 3 S+ 0 0 133 4,-0.2 -1,-0.2 5,-0.1 2,-0.2 0.104 83.2 87.9-104.0 21.8 111.9 -18.0 -26.0 283 425 A T S <> S- 0 0 58 -3,-0.9 4,-3.0 1,-0.1 5,-0.1 -0.476 95.5-100.1 -97.1-179.3 112.3 -17.6 -22.2 284 426 A S H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.905 128.6 51.5 -68.1 -40.1 109.8 -19.0 -19.7 285 427 A A H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.885 111.6 49.3 -60.8 -36.8 108.3 -15.5 -19.3 286 428 A G H > S+ 0 0 1 -6,-0.2 4,-2.2 1,-0.2 5,-0.3 0.973 109.8 49.5 -64.7 -52.6 108.1 -15.6 -23.1 287 429 A R H X S+ 0 0 129 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.798 107.9 56.9 -51.9 -33.7 106.4 -18.9 -23.0 288 430 A Y H X S+ 0 0 100 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.952 108.8 41.9 -70.5 -48.7 104.0 -17.6 -20.4 289 431 A V H X S+ 0 0 4 -4,-1.7 4,-0.6 1,-0.2 3,-0.5 0.939 115.9 49.6 -62.5 -52.0 102.6 -14.7 -22.4 290 432 A R H < S+ 0 0 96 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.833 114.4 45.7 -53.5 -39.1 102.4 -16.7 -25.7 291 433 A E H < S+ 0 0 145 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.734 115.0 47.5 -80.2 -21.0 100.6 -19.5 -23.9 292 434 A N H < S+ 0 0 83 -4,-1.3 2,-0.3 -3,-0.5 -1,-0.2 0.291 116.6 21.7-108.6 5.9 98.2 -17.2 -22.1 293 435 A C < - 0 0 8 -4,-0.6 -1,-0.1 -3,-0.4 3,-0.0 -0.961 57.6-170.3-168.1 162.5 97.0 -14.9 -24.8 294 436 A K - 0 0 78 -2,-0.3 5,-0.1 1,-0.1 -3,-0.0 -0.837 45.9 -46.4-149.6 170.2 96.6 -14.6 -28.5 295 437 A P > - 0 0 49 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.190 61.0-110.6 -50.3 138.5 95.8 -12.2 -31.3 296 438 A L G > S+ 0 0 6 -42,-2.3 3,-1.4 1,-0.3 4,-0.1 0.766 111.3 56.8 -46.3 -43.1 92.7 -10.2 -30.6 297 439 A R G > S+ 0 0 70 1,-0.3 3,-0.8 -43,-0.2 -1,-0.3 0.509 89.3 75.4 -76.1 -1.9 90.4 -11.8 -33.2 298 440 A R G < S+ 0 0 176 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.579 78.2 73.1 -84.6 -8.2 90.8 -15.3 -31.9 299 441 A Y G < + 0 0 25 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.491 68.1 129.0 -82.7 -2.4 88.6 -14.7 -28.9 300 442 A L < - 0 0 30 -3,-0.8 8,-0.0 1,-0.2 3,-0.0 -0.338 44.4-164.6 -55.3 124.3 85.5 -14.8 -31.2 301 443 A T S S+ 0 0 111 -2,-0.1 2,-0.2 -68,-0.1 -1,-0.2 0.783 74.2 23.2 -70.3 -33.9 82.8 -17.2 -30.0 302 444 A S - 0 0 39 2,-0.1 -2,-0.0 1,-0.1 -1,-0.0 -0.768 60.9-136.2-134.5 170.0 81.1 -17.0 -33.4 303 445 A E + 0 0 141 -2,-0.2 5,-0.1 4,-0.1 -1,-0.1 0.451 64.7 121.5-103.6 -6.9 81.6 -16.3 -37.1 304 446 A A S >> S- 0 0 45 1,-0.1 4,-1.7 3,-0.1 3,-0.7 -0.145 73.7-116.2 -60.4 154.3 78.4 -14.3 -37.6 305 447 A E H 3> S+ 0 0 130 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 111.7 61.8 -58.9 -42.5 78.8 -10.7 -38.8 306 448 A E H 3> S+ 0 0 53 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.815 106.0 48.5 -59.3 -30.5 77.5 -9.1 -35.7 307 449 A H H <> S+ 0 0 19 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.911 110.1 49.2 -71.1 -47.3 80.4 -10.7 -33.8 308 450 A H H X S+ 0 0 39 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.888 108.0 56.5 -58.1 -37.8 83.0 -9.6 -36.3 309 451 A Q H X S+ 0 0 42 -4,-2.7 4,-2.1 1,-0.2 27,-0.3 0.917 104.3 53.0 -62.2 -44.9 81.5 -6.1 -36.0 310 452 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.942 108.9 49.1 -50.6 -51.6 82.1 -6.1 -32.3 311 453 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.799 105.1 56.5 -69.2 -26.8 85.7 -7.0 -32.8 312 454 A D H X S+ 0 0 64 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.946 110.2 47.3 -62.4 -47.7 86.3 -4.2 -35.3 313 455 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-0.3 0.954 114.9 44.4 -51.6 -57.4 85.0 -1.8 -32.7 314 456 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.944 111.5 54.8 -54.4 -48.3 87.3 -3.3 -30.0 315 457 A E H < S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.6 46.3 -57.2 -37.4 90.2 -3.4 -32.5 316 458 A S H >< S+ 0 0 46 -4,-1.9 10,-1.3 -3,-0.3 3,-1.0 0.837 109.0 54.2 -75.6 -36.1 89.8 0.3 -33.2 317 459 A M H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.761 105.0 56.0 -67.4 -28.9 89.6 1.3 -29.5 318 460 A L T 3< S+ 0 0 4 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.3 -0.194 74.3 141.9 -97.5 41.0 92.8 -0.6 -28.8 319 461 A E < - 0 0 54 -3,-1.0 6,-0.1 1,-0.1 -3,-0.1 -0.711 50.8-139.2 -73.3 131.0 94.8 1.5 -31.4 320 462 A Y S S+ 0 0 14 -2,-0.4 -111,-0.3 -65,-0.1 -1,-0.1 0.932 84.7 70.7 -55.4 -50.2 98.2 2.1 -29.9 321 463 A E S >> S- 0 0 26 1,-0.1 4,-1.3 -113,-0.1 3,-1.1 -0.609 74.1-149.4 -83.9 118.1 98.5 5.7 -31.1 322 464 A P T 34 S+ 0 0 25 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.840 95.1 51.6 -57.0 -42.1 96.2 8.0 -29.1 323 465 A A T 34 S+ 0 0 98 1,-0.2 -2,-0.1 4,-0.0 4,-0.1 0.779 114.8 43.6 -65.5 -29.9 95.6 10.5 -31.9 324 466 A K T <4 S+ 0 0 154 -3,-1.1 -1,-0.2 2,-0.1 3,-0.1 0.598 92.0 110.5 -86.6 -17.4 94.6 7.7 -34.3 325 467 A R S < S- 0 0 6 -4,-1.3 -8,-0.2 -3,-0.4 -9,-0.1 -0.327 83.5 -90.5 -64.2 143.8 92.5 5.9 -31.7 326 468 A L - 0 0 22 -10,-1.3 2,-0.2 -13,-0.1 -1,-0.1 -0.186 38.7-137.6 -48.2 133.1 88.8 5.8 -32.2 327 469 A T > - 0 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-19.6 98.9-177.7 53.6 27.5 -9.6 607 399 B P - 0 0 109 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.374 65.0-109.5 -78.6 142.5 54.5 31.1 -9.2 608 400 B I - 0 0 10 1,-0.1 5,-0.1 -2,-0.1 -2,-0.0 -0.356 44.4 -98.9 -59.9 130.6 52.5 33.8 -7.4 609 401 B P >> - 0 0 40 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.230 26.9-124.9 -55.7 138.4 50.8 36.4 -9.7 610 402 B S H 3> S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.829 105.4 65.6 -54.5 -35.7 52.7 39.6 -9.8 611 403 B R H 3> S+ 0 0 101 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.907 102.4 46.4 -56.1 -45.2 49.6 41.7 -8.8 612 404 B M H <> S+ 0 0 0 -3,-0.7 4,-1.4 2,-0.2 3,-0.3 0.914 112.7 49.4 -67.2 -43.7 49.6 40.1 -5.3 613 405 B I H < S+ 0 0 13 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 115.1 45.9 -55.3 -44.1 53.4 40.6 -4.8 614 406 B R H < S+ 0 0 171 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.681 117.2 43.1 -75.2 -20.3 53.0 44.2 -5.9 615 407 B K H < S+ 0 0 74 -4,-1.3 2,-0.2 -3,-0.3 -2,-0.2 0.540 86.2 106.7-104.9 -11.5 49.9 44.9 -3.7 616 408 B T < - 0 0 6 -4,-1.4 -53,-0.1 -3,-0.2 3,-0.1 -0.506 60.4-147.7 -76.6 135.3 50.8 43.2 -0.4 617 409 B R S S+ 0 0 84 -55,-0.6 2,-3.0 -54,-0.4 3,-0.3 0.807 91.6 83.0 -62.5 -29.5 51.8 45.3 2.6 618 410 B K > + 0 0 45 -56,-0.5 3,-2.4 1,-0.2 -1,-0.2 -0.193 53.9 151.2 -72.3 53.7 54.1 42.4 3.5 619 411 B Q G > + 0 0 104 -2,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.760 56.5 74.0 -66.4 -26.4 56.7 43.8 1.1 620 412 B K G 3 S+ 0 0 143 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.678 83.0 69.2 -55.1 -23.4 59.5 42.3 3.2 621 413 B Y G < S+ 0 0 38 -3,-2.4 7,-1.3 1,-0.2 2,-0.3 0.575 103.2 44.8 -77.4 -7.0 58.6 38.9 1.8 622 414 B F E < -V 627 0J 8 -3,-1.9 2,-0.5 5,-0.3 5,-0.2 -0.975 58.5-161.9-140.8 125.5 59.8 39.9 -1.7 623 415 B Y E > S-V 626 0J 66 3,-1.6 3,-2.5 -2,-0.3 -3,-0.0 -0.924 84.9 -22.7 -92.2 125.5 62.9 41.7 -3.2 624 416 B R T 3 S- 0 0 110 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.763 126.7 -47.7 50.1 41.0 62.3 42.9 -6.8 625 417 B G T 3 S+ 0 0 49 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.334 117.5 106.4 84.9 -8.8 59.4 40.4 -7.6 626 418 B R E < S-V 623 0J 63 -3,-2.5 -3,-1.6 -13,-0.0 2,-0.5 -0.861 78.3-112.0-104.5 138.3 61.3 37.3 -6.3 627 419 B L E -V 622 0J 20 -2,-0.4 2,-1.5 -5,-0.2 -5,-0.3 -0.569 32.5-117.6 -70.8 117.0 60.3 35.7 -2.9 628 420 B D + 0 0 63 -7,-1.3 2,-0.3 -2,-0.5 -1,-0.1 -0.342 69.5 129.6 -58.1 86.9 63.2 36.3 -0.4 629 421 B W - 0 0 58 -2,-1.5 2,-1.0 -30,-0.0 -2,-0.1 -0.950 58.1-134.0-153.1 120.8 64.0 32.5 0.0 630 422 B D > - 0 0 106 -2,-0.3 3,-1.5 1,-0.2 6,-0.5 -0.649 15.7-168.2 -82.5 99.4 67.4 30.8 -0.2 631 423 B E T 3 S+ 0 0 97 -2,-1.0 9,-0.2 1,-0.3 -1,-0.2 0.672 84.9 53.2 -63.3 -15.9 66.7 27.7 -2.4 632 424 B N T 3 S+ 0 0 108 4,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.378 81.4 100.8-108.6 3.2 70.2 26.3 -1.4 633 425 B T S <> S- 0 0 58 -3,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.283 95.5-100.6 -62.8 171.0 69.9 26.5 2.4 634 426 B S H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.896 129.3 49.3 -65.2 -37.3 69.1 23.1 3.9 635 427 B A H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.933 108.5 54.6 -63.7 -46.1 65.5 24.3 4.2 636 428 B G H > S+ 0 0 0 -6,-0.5 4,-2.6 1,-0.2 -2,-0.2 0.934 109.5 45.0 -50.1 -54.2 65.6 25.4 0.6 637 429 B R H X S+ 0 0 77 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.908 109.9 58.2 -58.8 -44.1 66.7 22.0 -0.6 638 430 B Y H X S+ 0 0 86 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.934 110.4 39.3 -52.6 -57.2 64.1 20.4 1.5 639 431 B V H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.962 115.3 52.7 -60.7 -49.2 61.2 22.2 -0.0 640 432 B R H < S+ 0 0 84 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.891 119.9 34.4 -53.3 -40.6 62.6 21.9 -3.5 641 433 B E H < S+ 0 0 49 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.853 124.2 39.6 -86.0 -41.3 63.0 18.2 -3.1 642 434 B N H < S+ 0 0 38 -4,-3.1 2,-0.4 -5,-0.3 -3,-0.2 0.637 102.7 78.6 -85.8 -15.8 60.0 17.2 -1.0 643 435 B C < - 0 0 9 -4,-2.6 -54,-0.0 -5,-0.4 3,-0.0 -0.858 61.5-177.6-101.1 137.8 57.5 19.5 -2.6 644 436 B K - 0 0 88 -2,-0.4 5,-0.1 1,-0.1 -3,-0.1 -0.883 36.3 -88.0-134.6 143.8 56.1 18.4 -5.9 645 437 B P > - 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.241 53.7-102.0 -57.0 154.3 53.7 20.0 -8.4 646 438 B L G > S+ 0 0 6 -42,-2.1 3,-1.6 1,-0.3 -41,-0.1 0.828 113.9 51.6 -54.3 -46.8 50.1 19.1 -7.5 647 439 B R G > S+ 0 0 69 1,-0.3 3,-1.8 -43,-0.2 -1,-0.3 0.623 90.0 79.9 -71.9 -11.0 49.3 16.3 -10.0 648 440 B R G < S+ 0 0 179 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.620 80.5 68.9 -73.3 -7.6 52.3 14.3 -9.1 649 441 B Y G < S+ 0 0 26 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.475 71.7 129.3 -84.3 -3.7 50.5 13.1 -6.0 650 442 B L < - 0 0 31 -3,-1.8 3,-0.0 1,-0.2 8,-0.0 -0.289 44.7-163.9 -53.9 125.2 48.1 11.1 -8.2 651 443 B T S S+ 0 0 96 -2,-0.0 2,-0.2 -68,-0.0 -1,-0.2 0.756 74.3 21.8 -73.6 -30.5 47.8 7.4 -7.1 652 444 B S - 0 0 41 2,-0.1 -1,-0.0 1,-0.0 -2,-0.0 -0.803 61.0-135.3-136.9 171.1 46.2 6.5 -10.4 653 445 B E + 0 0 146 -2,-0.2 5,-0.1 4,-0.1 -1,-0.0 0.419 65.1 122.2-104.7 -5.4 45.8 7.4 -14.1 654 446 B A S >> S- 0 0 45 1,-0.1 4,-1.6 3,-0.1 3,-0.7 -0.191 73.4-116.5 -61.6 152.6 42.1 6.8 -14.3 655 447 B E H 3> S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 111.7 61.4 -58.2 -43.8 39.9 9.7 -15.3 656 448 B E H 3> S+ 0 0 78 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.823 106.1 48.9 -58.1 -31.5 38.1 9.9 -12.0 657 449 B H H <> S+ 0 0 19 -3,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.916 109.9 49.1 -69.3 -48.0 41.4 10.7 -10.3 658 450 B H H X S+ 0 0 40 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.871 108.0 56.5 -59.4 -36.5 42.4 13.3 -12.8 659 451 B Q H X S+ 0 0 44 -4,-2.8 4,-1.9 1,-0.2 27,-0.3 0.907 103.8 53.3 -62.4 -43.7 39.0 14.9 -12.3 660 452 B L H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.929 109.1 49.0 -52.3 -49.6 39.6 15.1 -8.6 661 453 B F H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.788 105.0 56.5 -70.1 -26.8 42.9 17.0 -9.2 662 454 B D H X S+ 0 0 64 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.926 110.2 47.6 -62.5 -46.4 41.2 19.5 -11.6 663 455 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.942 114.6 44.4 -53.9 -55.6 38.9 20.3 -8.8 664 456 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.944 111.7 54.5 -55.5 -49.1 41.8 20.7 -6.2 665 457 B E H < S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 109.7 46.4 -56.8 -37.8 43.8 22.7 -8.8 666 458 B S H >< S+ 0 0 43 -4,-1.8 10,-1.1 -3,-0.2 3,-1.1 0.851 109.4 53.7 -74.3 -38.8 40.9 25.2 -9.2 667 459 B M H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.829 105.4 55.6 -64.6 -32.8 40.3 25.5 -5.5 668 460 B L T 3< S+ 0 0 6 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.3 -0.165 74.1 141.6 -94.6 39.2 44.0 26.4 -5.1 669 461 B E < - 0 0 27 -3,-1.1 6,-0.1 1,-0.1 -3,-0.1 -0.703 51.5-138.7 -75.0 128.1 43.9 29.3 -7.6 670 462 B Y S S+ 0 0 21 -2,-0.4 -111,-0.3 -65,-0.1 -1,-0.1 0.932 84.8 71.3 -53.3 -51.1 46.1 32.0 -6.1 671 463 B E S > S- 0 0 48 1,-0.1 4,-1.4 -113,-0.1 3,-0.4 -0.542 73.5-150.1 -79.6 122.4 43.8 34.9 -7.0 672 464 B P T 4 S+ 0 0 30 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.898 95.1 51.1 -62.3 -42.2 40.7 34.9 -4.8 673 465 B A T 4 S+ 0 0 102 1,-0.2 4,-0.1 4,-0.0 -2,-0.1 0.818 115.4 43.6 -64.2 -31.9 38.4 36.5 -7.4 674 466 B K T 4 S+ 0 0 77 -3,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.635 92.7 109.3 -84.6 -17.5 39.5 33.9 -10.0 675 467 B R S < S- 0 0 7 -4,-1.4 -8,-0.2 -3,-0.3 -9,-0.1 -0.311 83.9 -90.7 -66.0 144.0 39.3 31.0 -7.5 676 468 B L - 0 0 25 -10,-1.1 2,-0.2 -13,-0.1 -1,-0.1 -0.217 38.8-137.6 -48.3 130.1 36.5 28.5 -7.9 677 469 B T > - 0 0 72 -3,-0.1 4,-2.0 1,-0.1 -1,-0.1 -0.515 21.8-114.5 -83.7 164.6 33.3 29.3 -6.0 678 470 B L H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -191,-0.1 0.739 115.8 59.4 -75.4 -23.5 31.5 26.5 -4.1 679 471 B G H > S+ 0 0 31 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.946 109.6 43.0 -62.2 -51.0 28.5 26.8 -6.4 680 472 B E H >4 S+ 0 0 110 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.910 110.0 60.4 -56.9 -43.5 30.7 26.0 -9.4 681 473 B A H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.896 100.1 52.2 -53.9 -47.2 32.3 23.3 -7.2 682 474 B L H 3< S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.771 108.4 53.2 -64.8 -23.5 29.1 21.4 -6.8 683 475 B Q T << S+ 0 0 111 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.487 84.2 125.0 -85.3 -3.0 28.7 21.4 -10.6 684 476 B H S X S- 0 0 26 -3,-1.6 3,-2.5 -4,-0.4 -3,-0.0 -0.272 72.2-119.5 -65.6 140.6 32.2 19.9 -11.2 685 477 B P G > S+ 0 0 76 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.770 110.1 70.3 -43.2 -37.9 32.6 16.7 -13.3 686 478 B F G 3 S+ 0 0 1 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.777 101.1 47.9 -55.1 -27.9 34.2 14.9 -10.2 687 479 B F G X S+ 0 0 7 -3,-2.5 3,-0.7 -6,-0.2 -1,-0.3 -0.293 72.0 117.5-108.3 43.8 30.6 15.0 -8.7 688 480 B A T < + 0 0 85 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.789 66.3 68.5 -75.2 -27.0 28.8 13.7 -11.8 689 481 B R T 3 0 0 86 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.348 360.0 360.0 -76.1 8.9 27.6 10.7 -9.8 690 482 B L < 0 0 121 -3,-0.7 -3,-0.0 -210,-0.0 -1,-0.0 -0.989 360.0 360.0-139.5 360.0 25.3 12.9 -7.5 691 !* 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 0.0 692 137 C S 0 0 182 0, 0.0 10,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 133.2 56.9 -18.4 62.2 693 138 C R - 0 0 119 1,-0.1 2,-0.5 9,-0.0 0, 0.0 -0.182 360.0-110.3 -57.7 166.7 54.0 -19.0 59.8 694 139 C R - 0 0 234 -2,-0.0 -1,-0.1 1,-0.0 8,-0.0 -0.945 39.2-103.3-104.1 125.0 50.5 -19.8 61.1 695 140 C A - 0 0 61 -2,-0.5 5,-0.1 1,-0.1 3,-0.1 -0.248 25.7-153.9 -46.1 126.0 49.4 -23.4 60.4 696 141 C K - 0 0 84 1,-0.1 2,-0.2 2,-0.0 4,-0.2 0.954 63.4 -34.8 -72.3 -54.5 46.9 -23.6 57.5 697 142 C 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22.5 31.8 -33.7 20.0 972 417 C G T 3 S+ 0 0 31 1,-0.2 2,-0.3 -12,-0.1 -1,-0.3 0.194 119.9 90.5 88.7 -19.9 35.6 -34.6 19.9 973 418 C R E < S-G 970 0O 64 -3,-1.3 -3,-1.8 1,-0.1 -1,-0.2 -0.859 96.4 -73.7-107.2 147.3 36.8 -30.9 20.1 974 419 C L E -G 969 0O 19 -2,-0.3 2,-1.8 -5,-0.2 -5,-0.3 -0.008 41.5-125.9 -37.1 129.2 37.6 -29.1 23.4 975 420 C D + 0 0 75 -7,-2.8 2,-0.3 2,-0.1 -1,-0.2 -0.606 65.6 127.2 -83.3 78.5 34.4 -28.2 25.4 976 421 C W - 0 0 67 -2,-1.8 2,-0.4 -6,-0.1 3,-0.1 -0.924 50.2-147.8-127.8 153.0 35.3 -24.5 25.7 977 422 C D > - 0 0 89 -2,-0.3 3,-1.9 1,-0.1 6,-0.6 -0.867 1.4-163.3-127.1 101.4 33.3 -21.4 24.8 978 423 C E T 3 S+ 0 0 120 -2,-0.4 9,-0.2 1,-0.3 -1,-0.1 0.709 88.1 58.7 -46.1 -26.8 35.4 -18.5 23.6 979 424 C N T 3 S+ 0 0 110 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.116 85.4 89.0-105.6 22.1 32.4 -16.2 24.2 980 425 C T S <> S- 0 0 58 -3,-1.9 4,-1.4 1,-0.1 5,-0.1 -0.332 96.2 -94.7 -92.1-173.3 31.7 -16.8 28.0 981 426 C S H > S+ 0 0 95 2,-0.2 4,-1.1 3,-0.1 -1,-0.1 0.922 127.5 47.8 -65.5 -46.1 33.3 -14.8 30.7 982 427 C A H >> S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 3,-0.8 0.949 111.7 47.6 -59.9 -51.1 36.0 -17.4 31.1 983 428 C G H 3> S+ 0 0 2 -6,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.835 109.7 54.1 -62.0 -33.7 36.8 -17.7 27.3 984 429 C R H 3X S+ 0 0 112 -4,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.733 105.4 55.5 -68.6 -26.5 37.0 -13.9 27.1 985 430 C Y H - 0 0 47 0, 0.0 3,-2.2 0, 0.0 -41,-0.2 -0.202 59.7-107.3 -57.2 145.9 49.3 -17.1 19.5 993 438 C L G > S+ 0 0 6 -42,-2.4 3,-2.1 1,-0.3 4,-0.1 0.769 110.9 54.7 -48.4 -51.6 52.9 -17.9 20.2 994 439 C R G > S+ 0 0 69 1,-0.3 3,-1.1 -43,-0.2 -1,-0.3 0.601 93.1 76.3 -66.8 -7.9 54.8 -16.0 17.5 995 440 C R G < S+ 0 0 183 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.546 79.4 69.4 -80.6 -6.0 53.1 -12.8 18.6 996 441 C Y G < S+ 0 0 28 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.431 71.0 128.5 -86.2 -2.8 55.3 -12.6 21.7 997 442 C L < - 0 0 28 -3,-1.1 8,-0.0 1,-0.2 -66,-0.0 -0.365 45.2-163.7 -56.1 123.6 58.3 -11.8 19.4 998 443 C T S S+ 0 0 67 -2,-0.1 2,-0.2 -68,-0.0 -1,-0.2 0.780 73.6 21.7 -70.9 -32.3 60.1 -8.6 20.5 999 444 C S - 0 0 28 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 -0.744 61.8-134.0-134.7 172.7 61.9 -8.4 17.1 1000 445 C E + 0 0 145 -2,-0.2 5,-0.1 4,-0.0 -1,-0.0 0.434 64.7 122.5-105.7 -5.2 61.8 -9.4 13.4 1001 446 C A S >> S- 0 0 43 1,-0.1 4,-1.6 3,-0.1 3,-0.7 -0.157 72.9-116.9 -59.8 152.1 65.4 -10.4 13.2 1002 447 C E H 3> S+ 0 0 128 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.907 111.8 61.9 -58.1 -42.7 66.1 -14.0 12.1 1003 448 C E H 3> S+ 0 0 58 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.826 106.0 48.2 -58.6 -30.9 67.8 -15.0 15.3 1004 449 C H H <> S+ 0 0 8 -3,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.893 110.1 49.0 -70.6 -45.9 64.5 -14.3 17.1 1005 450 C H H X S+ 0 0 41 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.894 107.8 57.1 -60.9 -36.6 62.4 -16.2 14.6 1006 451 C Q H X S+ 0 0 40 -4,-3.0 4,-2.1 1,-0.2 3,-0.3 0.931 103.5 53.2 -60.0 -46.7 64.8 -19.1 15.1 1007 452 C L H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.915 108.7 49.8 -49.1 -49.1 64.2 -19.1 18.8 1008 453 C F H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.763 104.6 56.0 -72.8 -24.2 60.5 -19.4 18.2 1009 454 C D H X S+ 0 0 65 -4,-1.7 4,-2.0 -3,-0.3 -1,-0.2 0.940 110.4 47.6 -64.1 -48.4 60.8 -22.3 15.8 1010 455 C L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.948 114.6 44.5 -52.5 -56.0 62.7 -24.1 18.6 1011 456 C I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.960 111.5 54.5 -53.7 -51.4 60.0 -23.2 21.1 1012 457 C E H < S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.5 47.1 -55.4 -37.1 57.3 -24.1 18.7 1013 458 C S H >< S+ 0 0 43 -4,-2.0 10,-1.2 1,-0.2 3,-1.1 0.858 108.7 53.5 -74.7 -37.3 58.8 -27.6 18.1 1014 459 C M H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.809 105.3 56.4 -66.9 -29.8 59.2 -28.2 21.8 1015 460 C L T 3< S+ 0 0 6 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.3 -0.130 73.4 141.6 -96.1 38.5 55.5 -27.4 22.3 1016 461 C E < - 0 0 56 -3,-1.1 6,-0.1 1,-0.1 -3,-0.1 -0.689 51.3-139.1 -73.3 127.8 54.3 -30.0 19.9 1017 462 C Y S S+ 0 0 11 -2,-0.4 -111,-0.2 -63,-0.1 -1,-0.1 0.916 84.9 70.8 -54.5 -49.2 51.2 -31.6 21.3 1018 463 C E S >> S- 0 0 27 1,-0.1 4,-1.4 -113,-0.1 3,-0.7 -0.595 73.3-150.6 -81.3 118.0 52.0 -35.2 20.4 1019 464 C P T 34 S+ 0 0 27 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.887 94.9 51.9 -56.9 -43.8 54.9 -36.6 22.5 1020 465 C A T 34 S+ 0 0 101 1,-0.2 4,-0.1 4,-0.0 -2,-0.0 0.800 115.2 43.1 -63.1 -31.0 56.3 -39.0 19.9 1021 466 C K T <4 S+ 0 0 154 -3,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.622 92.6 110.4 -86.6 -17.9 56.4 -36.1 17.3 1022 467 C R S < S- 0 0 6 -4,-1.4 -8,-0.2 -3,-0.3 -9,-0.1 -0.256 83.2 -90.6 -62.9 145.5 57.8 -33.7 19.8 1023 468 C L - 0 0 25 -10,-1.2 2,-0.2 -13,-0.1 -1,-0.1 -0.305 39.0-138.4 -49.5 129.1 61.4 -32.5 19.3 1024 469 C T > - 0 0 72 -3,-0.1 4,-2.1 1,-0.1 -1,-0.1 -0.521 21.6-114.9 -83.8 164.2 63.9 -34.7 21.2 1025 470 C L H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -191,-0.1 0.742 115.7 59.6 -75.2 -24.7 66.8 -32.9 23.0 1026 471 C G H > S+ 0 0 31 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.936 109.9 42.6 -61.7 -49.5 69.4 -34.5 20.6 1027 472 C E H >4 S+ 0 0 108 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.919 110.0 60.2 -58.7 -44.5 67.6 -32.7 17.7 1028 473 C A H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 6,-0.2 0.902 100.4 52.5 -53.1 -46.5 67.3 -29.6 19.9 1029 474 C L H 3< S+ 0 0 26 -4,-2.1 -1,-0.3 1,-0.3 9,-0.2 0.791 108.2 52.9 -64.0 -25.1 71.1 -29.3 20.3 1030 475 C Q T << S+ 0 0 148 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.487 84.5 125.3 -84.4 -3.5 71.4 -29.4 16.5 1031 476 C H S X S- 0 0 24 -3,-1.8 3,-2.0 -4,-0.5 4,-0.2 -0.251 71.8-119.4 -65.6 140.7 68.8 -26.6 16.0 1032 477 C P G > S+ 0 0 73 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.728 110.1 66.6 -45.0 -34.8 69.7 -23.4 13.9 1033 478 C F G 3 S+ 0 0 1 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.784 103.4 44.8 -60.1 -33.7 69.2 -21.2 17.0 1034 479 C F G X> S+ 0 0 0 -3,-2.0 3,-1.9 -6,-0.2 4,-1.4 0.262 80.5 121.1 -92.4 7.5 72.2 -22.8 18.7 1035 480 C A T <4 + 0 0 67 -3,-1.4 2,-0.6 1,-0.3 -1,-0.2 0.859 64.8 58.2 -36.4 -58.8 74.2 -22.6 15.5 1036 481 C R T 34 S+ 0 0 163 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.167 116.2 34.7 -73.3 25.6 77.0 -20.4 16.9 1037 482 C L T <4 0 0 77 -3,-1.9 -2,-0.2 -2,-0.6 -1,-0.2 0.426 360.0 360.0-130.5 -64.8 77.8 -23.1 19.6 1038 483 C R < 0 0 86 -4,-1.4 -3,-0.1 -9,-0.2 -2,-0.1 0.858 360.0 360.0 -33.0 360.0 77.3 -26.6 18.2