==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-SEP-09 2WU6 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE CLK3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.C.MUNIZ,O.FEDOROV,O.KING,P.FILIPPAKOPOULOS,A.N.BULLOCK,C . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 1 0 1 0 0 1 1 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 0 1 2 0 2 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 . 3 0 1 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 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 1 134 A R 0 0 281 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.2 64.2 60.5 17.7 2 135 A S - 0 0 106 1,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.417 360.0-137.4 -64.2 133.5 63.2 59.8 21.2 3 136 A V - 0 0 53 -2,-0.1 2,-0.4 8,-0.0 10,-0.1 -0.817 26.6-159.2 -85.3 129.3 59.8 58.3 21.6 4 137 A E - 0 0 115 -2,-0.5 8,-3.2 8,-0.4 2,-0.4 -0.943 13.4-165.5-120.2 137.4 58.1 60.1 24.6 5 138 A D B -A 11 0A 56 -2,-0.4 6,-0.2 6,-0.2 2,-0.0 -0.936 20.3-129.7-112.0 142.8 55.2 59.0 26.8 6 139 A D > - 0 0 74 4,-2.4 3,-2.0 -2,-0.4 6,-0.0 -0.189 45.3 -81.8 -76.2-176.6 53.3 61.4 29.1 7 140 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.712 131.3 50.9 -64.8 -20.5 52.7 60.5 32.8 8 141 A E T 3 S- 0 0 110 2,-0.1 -1,-0.3 50,-0.0 48,-0.0 0.418 122.1-102.8 -96.1 4.5 49.7 58.4 31.9 9 142 A G S < S+ 0 0 10 -3,-2.0 48,-2.9 1,-0.3 2,-0.3 0.577 71.0 148.2 83.7 13.1 51.5 56.4 29.2 10 143 A H - 0 0 37 46,-0.2 -4,-2.4 25,-0.1 -1,-0.3 -0.615 54.9-110.6 -74.8 137.9 50.0 58.2 26.3 11 144 A L B -A 5 0A 15 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.2 -0.512 26.6-128.8 -64.3 130.7 52.3 58.5 23.3 12 145 A V + 0 0 57 -8,-3.2 -8,-0.4 -2,-0.2 2,-0.3 -0.756 51.8 143.3 -82.3 112.0 53.4 62.1 22.8 13 146 A C - 0 0 6 -2,-0.8 2,-0.3 -10,-0.1 3,-0.0 -0.989 26.8-167.6-147.7 157.6 52.7 62.8 19.1 14 147 A R > - 0 0 160 -2,-0.3 3,-2.4 4,-0.1 11,-0.2 -0.926 41.8 -71.3-138.7 161.9 51.5 65.7 17.1 15 148 A I T 3 S+ 0 0 100 -2,-0.3 11,-0.2 1,-0.2 3,-0.1 -0.294 122.2 36.0 -46.4 134.2 50.2 66.6 13.7 16 149 A G T 3 S+ 0 0 39 9,-2.9 -1,-0.2 1,-0.4 10,-0.1 -0.120 91.7 117.7 104.1 -34.6 53.2 66.3 11.4 17 150 A D < - 0 0 68 -3,-2.4 8,-3.1 7,-0.1 -1,-0.4 -0.142 51.6-145.1 -63.9 159.3 54.7 63.3 13.2 18 151 A W E -B 24 0B 123 6,-0.2 2,-0.4 -3,-0.1 6,-0.2 -0.872 4.6-151.2-124.9 156.4 55.2 59.9 11.5 19 152 A L E >> S-B 23 0B 5 4,-1.8 4,-2.6 -2,-0.3 3,-1.7 -0.998 79.9 -8.7-131.7 133.2 55.0 56.3 12.7 20 153 A Q T 34 S- 0 0 95 -2,-0.4 -1,-0.1 1,-0.3 75,-0.0 0.722 112.7 -79.1 54.2 29.6 57.0 53.4 11.2 21 154 A E T 34 S+ 0 0 93 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.871 129.6 75.1 50.8 36.2 58.1 55.8 8.4 22 155 A R T <4 S+ 0 0 45 -3,-1.7 21,-2.6 1,-0.3 2,-0.7 0.580 74.8 61.2-141.7 -50.8 54.7 55.0 7.0 23 156 A Y E < -BC 19 42B 0 -4,-2.6 -4,-1.8 19,-0.2 2,-0.6 -0.825 61.8-160.5-101.0 111.7 51.8 56.7 8.7 24 157 A E E -BC 18 41B 48 17,-2.7 17,-2.0 -2,-0.7 2,-0.3 -0.857 17.6-132.1 -91.4 121.3 51.9 60.5 8.6 25 158 A I E + C 0 40B 1 -8,-3.1 -9,-2.9 -2,-0.6 15,-0.2 -0.554 37.4 159.8 -72.0 127.1 49.7 62.2 11.3 26 159 A V E + 0 0 49 13,-2.6 2,-0.3 -2,-0.3 14,-0.2 0.401 60.5 10.0-126.6 -7.8 47.5 65.0 9.7 27 160 A G E - C 0 39B 10 12,-1.4 12,-2.0 -13,-0.1 2,-0.4 -0.994 61.2-116.5-166.7 164.8 44.8 65.3 12.4 28 161 A N E + C 0 38B 93 -2,-0.3 10,-0.2 10,-0.3 3,-0.1 -0.921 24.4 174.4-106.7 134.5 43.4 64.5 15.8 29 162 A L E - 0 0 85 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.742 53.4 -62.1-109.9 -38.3 40.1 62.6 16.0 30 163 A G E - C 0 37B 35 7,-1.8 7,-2.7 2,-0.0 -1,-0.4 -0.989 40.6-127.3 172.5-168.1 39.6 62.0 19.6 31 164 A E E + C 0 36B 104 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.932 17.0 168.5-158.6 167.2 40.7 60.4 22.9 32 165 A G E > - C 0 35B 28 3,-2.2 3,-1.4 -2,-0.3 -2,-0.0 -0.944 58.8 -73.7-169.5-176.7 39.7 58.2 25.8 33 166 A T T 3 S+ 0 0 105 -2,-0.3 23,-0.1 1,-0.3 3,-0.1 0.710 125.7 62.9 -63.6 -21.7 41.1 56.4 28.7 34 167 A F T 3 S- 0 0 55 1,-0.2 22,-2.8 21,-0.1 2,-0.3 0.684 120.3 -96.9 -74.2 -20.6 42.6 53.8 26.2 35 168 A G E < -CD 32 55B 1 -3,-1.4 -3,-2.2 20,-0.3 2,-0.3 -0.996 58.6 -44.3 136.0-139.1 44.8 56.5 24.6 36 169 A K E -CD 31 54B 40 18,-2.3 18,-3.9 -2,-0.3 2,-0.5 -0.915 28.4-137.3-140.3 163.8 44.1 58.5 21.4 37 170 A V E -CD 30 53B 35 -7,-2.7 -8,-2.7 -2,-0.3 -7,-1.8 -0.989 26.2-179.3-120.4 120.3 42.8 58.3 17.8 38 171 A V E -CD 28 52B 0 14,-2.7 14,-3.4 -2,-0.5 2,-0.5 -0.879 27.6-121.8-117.8 152.0 44.6 60.3 15.1 39 172 A E E +CD 27 51B 48 -12,-2.0 -13,-2.6 -2,-0.3 -12,-1.4 -0.785 39.0 179.0 -91.1 133.0 44.0 60.7 11.4 40 173 A C E -CD 25 50B 0 10,-2.9 10,-2.7 -2,-0.5 2,-0.5 -0.896 31.1-130.5-129.9 161.4 46.9 59.5 9.3 41 174 A L E -CD 24 49B 34 -17,-2.0 -17,-2.7 -2,-0.3 2,-1.0 -0.974 25.0-139.1-107.4 132.2 47.9 59.2 5.7 42 175 A D E > > -CD 23 48B 3 6,-2.7 3,-1.9 -2,-0.5 5,-1.6 -0.789 15.8-171.0 -96.9 95.9 49.3 55.8 4.9 43 176 A H T 3 5S+ 0 0 64 -21,-2.6 3,-0.4 -2,-1.0 -1,-0.1 0.544 83.5 61.0 -67.4 -6.6 52.2 56.4 2.5 44 177 A A T 3 5S+ 0 0 52 -22,-0.2 -1,-0.3 1,-0.2 -21,-0.1 0.654 108.1 44.8 -89.4 -14.4 52.6 52.7 1.8 45 178 A R T X 5S- 0 0 160 -3,-1.9 3,-0.8 3,-0.1 -1,-0.2 -0.334 131.9 -77.5-125.7 48.7 49.0 52.6 0.4 46 179 A G T 3 5S- 0 0 74 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.780 86.0 -63.2 66.7 29.6 48.8 55.7 -1.9 47 180 A K T 3 > - 0 0 43 -2,-2.1 4,-2.6 39,-0.2 3,-0.8 -0.995 68.3-126.7-138.3 130.2 50.2 50.5 30.1 59 192 A G H 3> S+ 0 0 36 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.847 106.3 48.7 -49.8 -51.0 50.0 46.7 30.5 60 193 A K H 3> S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.810 115.6 45.0 -66.2 -30.8 46.3 46.3 30.9 61 194 A Y H <> S+ 0 0 43 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.863 111.5 51.9 -74.6 -41.7 45.5 48.5 27.9 62 195 A R H X S+ 0 0 54 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.930 111.8 49.2 -58.5 -43.0 48.2 46.7 25.7 63 196 A E H X S+ 0 0 96 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.916 110.6 48.0 -61.7 -49.4 46.5 43.4 26.7 64 197 A A H X S+ 0 0 53 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.883 111.7 51.3 -57.2 -41.4 43.0 44.6 25.9 65 198 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.884 106.4 53.4 -67.3 -37.1 44.2 45.9 22.5 66 199 A R H X S+ 0 0 98 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.917 110.2 48.4 -61.6 -42.6 45.9 42.6 21.7 67 200 A L H X S+ 0 0 109 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.883 109.9 52.0 -63.6 -41.1 42.5 40.9 22.4 68 201 A E H X S+ 0 0 8 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.932 107.7 51.6 -60.5 -47.2 40.7 43.4 20.2 69 202 A I H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.914 109.7 50.7 -53.5 -44.2 43.2 42.8 17.3 70 203 A N H X S+ 0 0 73 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.872 110.5 48.6 -64.1 -39.0 42.4 39.0 17.7 71 204 A V H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.948 110.7 51.2 -65.1 -48.0 38.7 39.6 17.6 72 205 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.856 107.1 53.2 -58.6 -39.1 39.1 41.8 14.5 73 206 A K H X S+ 0 0 104 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.932 110.5 47.7 -62.4 -42.2 41.1 39.2 12.7 74 207 A K H X S+ 0 0 86 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.893 112.0 49.6 -67.4 -39.5 38.4 36.6 13.3 75 208 A I H >X S+ 0 0 8 -4,-2.4 4,-1.4 2,-0.2 3,-1.1 0.965 110.2 49.0 -63.5 -53.0 35.7 39.0 12.1 76 209 A K H 3< S+ 0 0 56 -4,-2.6 3,-0.5 1,-0.3 6,-0.2 0.884 107.7 57.1 -50.2 -42.7 37.5 39.8 8.9 77 210 A E H 3< S+ 0 0 139 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.795 110.7 42.4 -62.4 -31.4 38.0 36.1 8.3 78 211 A K H << S+ 0 0 108 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.637 123.7 37.6 -89.1 -16.4 34.2 35.6 8.5 79 212 A D >< + 0 0 14 -4,-1.4 3,-1.6 -3,-0.5 -1,-0.2 -0.578 68.3 160.0-132.1 69.0 33.4 38.7 6.4 80 213 A K T 3 S+ 0 0 124 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.759 75.6 51.0 -70.6 -26.0 36.2 38.7 3.8 81 214 A E T 3 S- 0 0 83 -5,-0.0 -1,-0.3 0, 0.0 -5,-0.0 0.249 107.9-125.1 -90.2 12.2 34.3 41.0 1.3 82 215 A N < + 0 0 69 -3,-1.6 3,-0.2 -6,-0.2 -2,-0.1 0.902 63.5 143.5 35.4 61.2 33.7 43.5 4.1 83 216 A K + 0 0 111 1,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.662 46.1 70.1 -98.3 -24.5 30.0 43.2 3.3 84 217 A F S S- 0 0 58 -5,-0.1 -1,-0.1 53,-0.1 57,-0.1 -0.094 103.7-105.1-105.6 35.4 28.4 43.4 6.8 85 218 A L + 0 0 17 -3,-0.2 100,-3.0 1,-0.2 2,-0.3 0.684 68.3 138.1 66.7 30.6 29.0 47.0 7.9 86 219 A C B -g 185 0C 4 98,-0.2 2,-1.1 51,-0.1 100,-0.2 -0.796 59.3-117.4-104.0 149.7 31.8 46.7 10.5 87 220 A V - 0 0 13 98,-2.6 2,-0.3 -2,-0.3 101,-0.2 -0.756 45.3-167.6 -80.4 99.8 34.8 49.0 10.8 88 221 A L - 0 0 14 -2,-1.1 16,-0.9 1,-0.1 2,-0.2 -0.658 20.2-103.6 -99.2 154.5 37.5 46.5 10.1 89 222 A M E -F 103 0B 38 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.446 21.4-172.7 -75.6 134.3 41.2 46.9 10.6 90 223 A S E S- 0 0 74 12,-2.3 2,-0.3 1,-0.3 13,-0.2 0.719 74.7 -11.1 -89.6 -30.6 43.7 47.5 7.8 91 224 A D E -F 102 0B 40 11,-1.2 11,-2.6 2,-0.0 -1,-0.3 -0.969 55.6-165.3-159.8 160.7 46.8 47.1 9.9 92 225 A W E +F 101 0B 105 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.966 14.0 166.4-146.9 155.4 48.0 46.8 13.5 93 226 A F E -F 100 0B 13 7,-2.2 7,-3.1 -2,-0.3 2,-0.6 -0.980 37.7-115.9-162.8 158.7 51.4 47.1 15.2 94 227 A N E -F 99 0B 70 -2,-0.3 2,-0.7 5,-0.2 5,-0.3 -0.919 29.4-167.3 -96.6 116.1 53.2 47.4 18.5 95 228 A F E > S-F 98 0B 32 3,-3.9 3,-2.3 -2,-0.6 -2,-0.0 -0.875 70.2 -43.7-110.8 97.2 55.0 50.8 18.5 96 229 A H T 3 S- 0 0 124 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.893 124.7 -38.9 47.4 46.6 57.4 50.9 21.5 97 230 A G T 3 S+ 0 0 13 1,-0.2 2,-0.7 -35,-0.0 -1,-0.3 0.184 118.2 111.8 91.6 -17.7 54.8 49.4 23.7 98 231 A H E < - 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0 0 95 49,-0.1 50,-2.5 1,-0.1 -1,-0.2 -0.196 61.5-104.2 -58.6 154.2 32.0 61.3 12.9 109 242 A N B > -H 157 0C 32 48,-0.3 4,-2.5 1,-0.1 48,-0.3 -0.335 34.3-105.4 -77.1 166.3 30.2 58.9 15.3 110 243 A T H > S+ 0 0 0 46,-2.8 4,-1.3 43,-1.1 44,-0.2 0.724 119.9 51.5 -74.4 -19.8 26.5 59.2 15.7 111 244 A F H > S+ 0 0 43 42,-0.6 4,-2.8 45,-0.3 -1,-0.2 0.904 110.3 48.0 -72.5 -46.6 26.8 60.7 19.2 112 245 A E H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 111.9 49.9 -63.1 -42.9 29.3 63.4 18.0 113 246 A F H X S+ 0 0 8 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.926 111.5 49.5 -58.1 -45.1 27.1 64.3 15.1 114 247 A L H <>S+ 0 0 2 -4,-1.3 5,-3.0 -5,-0.2 6,-0.5 0.935 112.6 47.3 -57.8 -48.0 24.1 64.6 17.5 115 248 A K H ><5S+ 0 0 98 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.896 109.7 51.4 -60.3 -49.2 26.1 66.8 19.8 116 249 A E H 3<5S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.640 106.6 57.4 -65.0 -17.6 27.4 69.1 17.0 117 250 A N T ><5S- 0 0 16 -4,-1.1 3,-1.8 -3,-0.4 -1,-0.3 0.064 124.1-109.0 -94.0 20.6 23.7 69.3 16.0 118 251 A N T < 5 - 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0 0 26 -2,-0.3 3,-0.4 1,-0.1 -9,-0.1 -0.333 21.9-143.2 -67.8 138.1 19.6 59.2 26.6 240 373 A L S S+ 0 0 12 -11,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.937 96.5 28.8 -63.1 -48.1 16.9 56.8 27.5 241 374 A F - 0 0 0 -35,-0.3 2,-1.7 2,-0.1 -1,-0.3 -0.819 69.1-177.1-117.5 89.3 18.5 55.8 30.9 242 375 A Q + 0 0 103 -2,-0.5 2,-0.3 -3,-0.4 -37,-0.0 -0.604 38.9 133.9 -88.2 80.9 20.6 58.7 32.2 243 376 A T - 0 0 6 -2,-1.7 -37,-0.1 1,-0.1 -2,-0.1 -0.932 50.9-166.8-141.5 160.2 22.0 56.9 35.3 244 377 A H S S+ 0 0 105 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.267 75.6 51.1-122.5 -4.2 25.1 56.1 37.4 245 378 A E S > S- 0 0 67 1,-0.1 4,-2.3 -40,-0.0 5,-0.1 -0.999 72.1-124.2-152.6 150.5 23.8 53.3 39.6 246 379 A N H > S+ 0 0 41 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.820 106.3 49.3 -62.2 -44.8 22.0 49.9 39.4 247 380 A R H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.953 114.6 45.1 -69.5 -46.3 19.0 50.6 41.7 248 381 A E H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.913 110.8 55.9 -57.9 -43.2 18.1 53.9 40.0 249 382 A H H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 107.6 47.6 -56.9 -47.2 18.5 52.2 36.6 250 383 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.841 110.3 52.4 -63.8 -36.1 16.0 49.4 37.5 251 384 A V H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.919 109.0 49.9 -68.2 -40.9 13.5 52.0 38.8 252 385 A M H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.919 108.9 53.1 -58.5 -46.4 13.8 53.9 35.5 253 386 A M H X>S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.926 110.2 48.0 -52.6 -49.8 13.2 50.6 33.6 254 387 A E H X5S+ 0 0 54 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.907 112.6 46.7 -57.6 -47.4 10.1 50.0 35.6 255 388 A K H <5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 122.6 35.7 -64.7 -32.3 8.7 53.6 35.1 256 389 A I H <5S+ 0 0 7 -4,-2.1 42,-2.8 -5,-0.2 43,-0.2 0.855 135.1 19.1 -92.8 -33.7 9.4 53.5 31.4 257 390 A L H <5S- 0 0 41 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.540 105.4-109.0-119.9 -13.4 8.7 49.9 30.5 258 391 A G << - 0 0 23 -4,-1.9 -1,-0.3 -5,-0.5 -2,-0.1 -0.467 61.3 -17.3 104.6-179.3 6.5 48.4 33.3 259 392 A P - 0 0 106 0, 0.0 63,-0.1 0, 0.0 3,-0.1 -0.210 66.5-108.1 -67.3 147.7 7.2 45.9 36.1 260 393 A I - 0 0 8 1,-0.1 5,-0.1 -10,-0.1 19,-0.0 -0.576 48.8 -98.5 -62.9 129.1 10.2 43.5 36.1 261 394 A P >> - 0 0 35 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.300 26.4-129.6 -54.5 135.2 8.9 40.0 35.4 262 395 A S H 3> S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.839 105.8 62.3 -57.2 -36.6 8.5 38.1 38.7 263 396 A H H 3> S+ 0 0 94 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.892 104.5 47.8 -59.7 -38.0 10.5 35.1 37.3 264 397 A M H <> S+ 0 0 6 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.897 111.1 50.8 -66.3 -41.3 13.6 37.3 36.9 265 398 A I H < S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.922 110.8 48.5 -60.1 -44.6 13.2 38.7 40.4 266 399 A H H < S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.764 113.6 48.5 -69.6 -23.3 12.9 35.1 41.8 267 400 A R H < S+ 0 0 202 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.772 90.0 94.2 -88.3 -26.7 16.0 34.0 39.8 268 401 A T < - 0 0 6 -4,-1.7 -53,-0.1 -3,-0.2 -52,-0.1 -0.358 59.1-153.6 -72.4 144.3 18.5 36.8 40.6 269 402 A R S S+ 0 0 229 -55,-0.6 2,-2.2 -54,-0.2 3,-0.2 0.547 80.8 92.7 -84.6 -8.8 21.0 36.6 43.5 270 403 A K > + 0 0 50 -56,-0.5 3,-1.2 1,-0.2 -1,-0.2 -0.367 44.5 150.4 -82.6 65.0 20.8 40.4 43.6 271 404 A Q G > + 0 0 92 -2,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.592 49.2 85.8 -75.2 -7.8 18.1 40.4 46.2 272 405 A K G 3 S+ 0 0 128 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.736 85.3 58.1 -64.7 -19.5 19.3 43.8 47.7 273 406 A Y G < S+ 0 0 6 -3,-1.2 7,-2.7 6,-0.1 2,-0.3 0.538 103.7 65.6 -84.5 -6.6 17.2 45.6 45.0 274 407 A F E < +L 279 0F 18 -3,-1.7 2,-0.3 5,-0.3 5,-0.2 -0.862 47.2 176.0-126.5 153.9 14.0 43.9 46.2 275 408 A Y E > S-L 278 0F 182 3,-2.6 3,-0.9 -2,-0.3 -3,-0.0 -0.903 81.3 -7.3-154.5 117.2 11.7 43.8 49.2 276 409 A K T 3 S- 0 0 104 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.883 129.3 -53.2 60.0 45.1 8.4 41.8 49.1 277 410 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 -12,-0.1 -1,-0.2 0.535 121.7 94.9 74.0 9.4 8.6 40.9 45.4 278 411 A G E < S-L 275 0F 26 -3,-0.9 -3,-2.6 -13,-0.1 -1,-0.2 -0.925 84.5 -91.0-136.7 153.3 9.1 44.6 44.4 279 412 A L E -L 274 0F 22 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.358 39.4-146.1 -62.3 136.3 11.8 47.1 43.7 280 413 A V + 0 0 58 -7,-2.7 2,-0.3 -8,-0.1 -29,-0.1 -0.931 33.6 143.3-108.7 133.5 12.9 48.9 46.9 281 414 A W - 0 0 59 -2,-0.5 2,-0.8 -30,-0.0 3,-0.0 -0.980 52.6-105.7-164.5 157.2 14.1 52.5 46.6 282 415 A D > - 0 0 103 -2,-0.3 3,-1.2 1,-0.2 6,-0.4 -0.810 24.8-168.2 -95.4 107.4 13.9 55.8 48.4 283 416 A E T 3 S+ 0 0 93 -2,-0.8 -1,-0.2 1,-0.2 9,-0.1 0.688 85.5 56.9 -68.8 -18.5 11.4 58.0 46.6 284 417 A N T 3 S+ 0 0 117 4,-0.1 -1,-0.2 5,-0.1 -2,-0.0 0.488 86.6 100.1 -94.0 -2.0 12.6 61.0 48.6 285 418 A S S <> S- 0 0 41 -3,-1.2 4,-2.8 1,-0.1 5,-0.3 -0.215 90.4-102.8 -77.1 166.7 16.3 60.8 47.6 286 419 A S H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.947 127.0 42.3 -55.5 -46.5 17.9 62.9 44.9 287 420 A D H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.895 112.8 53.9 -64.5 -42.8 17.7 59.9 42.5 288 421 A G H > S+ 0 0 3 -6,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.948 112.9 42.5 -56.3 -49.5 14.2 59.0 43.7 289 422 A R H X S+ 0 0 124 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.838 111.8 54.6 -71.3 -36.8 12.9 62.5 42.9 290 423 A Y H X S+ 0 0 99 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.941 111.4 44.5 -60.4 -45.8 14.8 62.8 39.6 291 424 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.908 112.3 51.2 -68.0 -43.5 13.2 59.5 38.3 292 425 A K H < S+ 0 0 72 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.912 116.8 41.8 -61.0 -40.6 9.7 60.4 39.5 293 426 A E H < S+ 0 0 133 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.897 128.2 25.6 -70.3 -41.9 10.0 63.8 37.7 294 427 A N H < S+ 0 0 77 -4,-2.6 2,-0.6 -5,-0.2 -3,-0.2 0.641 97.9 81.0-106.5 -16.6 11.6 62.7 34.5 295 428 A C < + 0 0 13 -4,-2.5 -1,-0.0 -5,-0.2 3,-0.0 -0.839 52.9 165.2-104.2 118.5 10.9 59.0 33.7 296 429 A K - 0 0 94 -2,-0.6 5,-0.1 1,-0.1 -3,-0.0 -0.814 48.0 -65.5-125.8 165.1 7.5 58.4 32.0 297 430 A P > - 0 0 81 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.222 51.1-116.9 -52.0 139.8 6.0 55.4 30.1 298 431 A L G > S+ 0 0 11 -42,-2.8 3,-2.2 1,-0.3 4,-0.2 0.832 111.6 60.7 -46.4 -44.9 7.9 54.8 26.8 299 432 A K G > S+ 0 0 69 1,-0.3 3,-1.6 -43,-0.2 -1,-0.3 0.795 92.0 69.0 -58.9 -27.4 4.8 55.6 24.6 300 433 A S G < S+ 0 0 70 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.678 87.7 66.3 -67.9 -15.7 4.7 59.1 26.0 301 434 A Y G < S+ 0 0 26 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.488 70.3 121.1 -87.7 -1.9 8.0 60.0 24.2 302 435 A M < - 0 0 43 -3,-1.6 3,-0.1 -4,-0.2 8,-0.0 -0.401 48.0-161.2 -61.1 130.3 6.4 59.7 20.7 303 436 A L S S+ 0 0 81 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.754 74.5 21.7 -83.2 -25.4 6.8 63.0 18.8 304 437 A Q - 0 0 115 2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.940 63.0-139.6-140.9 161.0 4.1 62.2 16.3 305 438 A D + 0 0 143 -2,-0.3 5,-0.0 4,-0.1 -3,-0.0 0.328 60.6 121.1-105.7 3.0 1.0 59.9 16.0 306 439 A S S >> S- 0 0 56 1,-0.1 4,-2.2 4,-0.0 3,-0.6 -0.195 78.3-100.1 -68.3 166.2 1.4 58.7 12.4 307 440 A L H 3> S+ 0 0 122 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.856 119.3 54.3 -59.6 -44.0 1.8 55.1 11.5 308 441 A E H 3> S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.864 110.4 47.1 -62.0 -36.1 5.6 55.1 11.1 309 442 A H H <> S+ 0 0 18 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.906 111.3 51.3 -69.0 -42.6 6.1 56.6 14.6 310 443 A V H X S+ 0 0 72 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 110.9 49.1 -58.2 -43.3 3.7 54.1 16.1 311 444 A Q H X S+ 0 0 37 -4,-2.7 4,-2.6 1,-0.2 27,-0.3 0.864 108.1 53.5 -65.7 -39.2 5.8 51.3 14.3 312 445 A L H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.932 111.2 46.6 -57.0 -49.2 9.1 52.7 15.6 313 446 A F H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.822 110.3 51.6 -68.8 -31.1 7.7 52.6 19.1 314 447 A D H X S+ 0 0 45 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.951 113.4 45.9 -66.0 -46.1 6.3 49.1 18.7 315 448 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.946 112.1 50.4 -60.3 -49.7 9.7 47.9 17.5 316 449 A M H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.913 108.4 52.7 -56.0 -44.9 11.6 49.8 20.3 317 450 A R H < S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.839 108.4 50.4 -60.1 -36.7 9.3 48.2 23.0 318 451 A R H >< S+ 0 0 105 -4,-1.7 10,-1.8 -3,-0.3 3,-0.9 0.848 109.7 50.5 -71.8 -35.6 10.0 44.7 21.7 319 452 A M H 3< S+ 0 0 0 -4,-2.0 -91,-0.2 1,-0.2 -2,-0.2 0.774 109.2 54.0 -66.0 -26.7 13.8 45.5 21.8 320 453 A L T 3< S+ 0 0 3 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 -0.106 74.4 140.0-103.2 31.6 13.4 46.6 25.4 321 454 A E < - 0 0 65 -3,-0.9 6,-0.2 1,-0.1 -3,-0.1 -0.623 52.4-136.8 -70.5 134.0 11.7 43.5 26.7 322 455 A F S S+ 0 0 12 -2,-0.3 -111,-0.3 -63,-0.1 -1,-0.1 0.915 89.1 67.4 -59.1 -46.2 13.0 42.7 30.2 323 456 A D S >> S- 0 0 23 1,-0.2 4,-1.9 -113,-0.1 3,-1.0 -0.655 73.6-152.1 -83.9 115.8 13.3 38.9 29.6 324 457 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.788 96.7 58.6 -62.4 -25.4 16.1 38.3 27.0 325 458 A A T 34 S+ 0 0 88 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.820 111.7 40.2 -67.6 -33.3 14.3 35.1 26.0 326 459 A Q T <4 S+ 0 0 143 -3,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.710 92.6 110.1 -87.4 -24.8 11.1 37.1 25.1 327 460 A R S < S- 0 0 7 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.181 82.0 -97.8 -51.7 141.4 13.0 40.0 23.5 328 461 A I - 0 0 15 -10,-1.8 2,-0.2 -13,-0.1 -1,-0.1 -0.271 36.4-132.6 -60.1 140.7 12.7 40.4 19.7 329 462 A T > - 0 0 65 -3,-0.1 4,-2.9 1,-0.1 5,-0.1 -0.570 19.6-116.2 -85.9 164.3 15.7 38.9 17.8 330 463 A L H > S+ 0 0 3 2,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.836 117.5 58.6 -72.6 -32.7 17.3 41.0 15.1 331 464 A A H > S+ 0 0 41 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.959 111.8 41.0 -55.4 -49.7 16.2 38.4 12.5 332 465 A E H >4 S+ 0 0 104 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.930 110.3 58.5 -63.4 -44.7 12.6 39.1 13.7 333 466 A A H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 6,-0.2 0.880 98.9 58.4 -53.0 -40.9 13.3 42.8 13.9 334 467 A L H 3< S+ 0 0 47 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.709 103.2 54.3 -65.9 -18.1 14.2 42.9 10.1 335 468 A L T << S+ 0 0 151 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.437 83.0 120.4 -90.2 -3.1 10.8 41.6 9.3 336 469 A H S X S- 0 0 19 -3,-2.1 3,-2.1 -4,-0.3 4,-0.1 -0.385 72.1-126.2 -66.8 139.1 9.0 44.4 11.3 337 470 A P G > S+ 0 0 74 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.674 102.2 81.4 -62.5 -14.8 6.6 46.6 9.3 338 471 A F G > S+ 0 0 0 -27,-0.3 3,-0.9 1,-0.3 -26,-0.1 0.844 88.2 57.4 -50.6 -32.5 8.6 49.7 10.6 339 472 A F G X S+ 0 0 7 -3,-2.1 3,-1.1 1,-0.2 -1,-0.3 0.443 79.2 87.1 -85.9 1.0 11.0 48.8 7.7 340 473 A A G < S+ 0 0 74 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.821 82.0 64.0 -63.9 -29.2 8.3 49.1 5.0 341 474 A G G < S+ 0 0 36 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.516 75.1 115.5 -76.0 -7.4 9.1 52.8 4.8 342 475 A L S < S- 0 0 7 -3,-1.1 -3,-0.0 -214,-0.1 0, 0.0 -0.385 71.3-119.5 -60.9 139.0 12.7 52.3 3.6 343 476 A T > - 0 0 62 1,-0.1 4,-2.3 -2,-0.0 3,-0.3 -0.435 31.0-107.5 -68.6 157.2 13.5 53.6 0.1 344 477 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 6,-0.2 0.831 122.2 55.1 -62.4 -28.4 14.6 50.8 -2.3 345 478 A E H 4>S+ 0 0 124 2,-0.2 5,-2.4 1,-0.2 4,-0.4 0.884 109.4 46.6 -65.7 -41.7 18.1 52.2 -2.1 346 479 A E H >45S+ 0 0 34 -3,-0.3 3,-0.5 3,-0.2 -1,-0.2 0.889 114.4 48.0 -67.5 -39.9 18.1 51.9 1.7 347 480 A R H 3<5S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.901 113.1 44.4 -70.7 -43.3 16.7 48.4 1.6 348 481 A S T 3<5S- 0 0 87 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.481 113.7-115.4 -79.3 0.2 19.1 46.9 -1.0 349 482 A F T < 5 0 0 76 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.796 360.0 360.0 63.1 33.0 22.0 48.6 0.8 350 483 A H < 0 0 113 -5,-2.4 -4,-0.1 -6,-0.2 -1,-0.0 0.012 360.0 360.0 38.8 360.0 22.7 50.9 -2.3