==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-APR-12 4EKK . COMPND 2 MOLECULE: RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.-I.WU,G.P.A VIGERS,T.H.MORALES,B.J.BRANDHUBER . 658 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 5 2 0 2 0 4 0 2 0 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 5 5 2 0 2 2 3 1 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 . 2 0 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 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 1 144 A R 0 0 233 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 -5.7 22.1 10.0 -2.4 2 145 A V + 0 0 18 71,-0.1 2,-0.2 73,-0.1 73,-0.1 -0.983 360.0 175.8-130.7 128.1 19.4 7.7 -0.9 3 146 A T - 0 0 79 2,-0.6 73,-0.1 -2,-0.4 4,-0.1 -0.573 51.0 -90.3-114.8-178.9 15.6 7.5 -1.5 4 147 A M S > S+ 0 0 47 -2,-0.2 3,-0.9 2,-0.1 2,-0.6 0.921 117.0 69.5 -57.5 -48.0 12.8 5.2 -0.4 5 148 A N T 3 S+ 0 0 106 1,-0.2 -2,-0.6 3,-0.0 3,-0.1 -0.692 78.1 71.0 -71.0 116.7 13.5 3.1 -3.5 6 149 A E T 3 S+ 0 0 62 -2,-0.6 21,-3.0 1,-0.5 22,-0.5 0.043 90.4 70.0 155.3 -12.5 16.9 1.5 -2.7 7 150 A F E < S-A 26 0A 5 -3,-0.9 2,-0.6 19,-0.2 -1,-0.5 -0.934 70.6-134.4-130.3 149.1 15.7 -0.9 -0.0 8 151 A E E -A 25 0A 83 17,-2.9 17,-1.8 -2,-0.3 2,-0.8 -0.931 21.6-141.6-102.1 117.0 13.5 -4.0 0.2 9 152 A Y E +A 24 0A 67 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.708 34.9 162.1 -82.2 108.4 11.0 -3.7 3.0 10 153 A L E + 0 0 69 13,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.869 50.5 0.0-102.0 -45.8 10.9 -7.3 4.4 11 154 A K E -A 23 0A 82 12,-1.2 12,-3.1 292,-0.0 -1,-0.3 -0.967 64.2-114.7-158.0 131.6 9.4 -7.6 7.9 12 155 A L E -A 22 0A 19 290,-0.4 10,-0.2 -2,-0.3 3,-0.1 -0.481 27.7-179.7 -68.2 135.3 7.9 -5.3 10.5 13 156 A L E - 0 0 11 8,-2.9 2,-0.3 1,-0.4 287,-0.2 0.743 57.7 -23.5-106.6 -35.4 10.0 -5.1 13.6 14 157 A G E -A 21 0A 13 7,-1.4 7,-1.5 285,-0.1 -1,-0.4 -0.971 43.1-138.7-166.0 173.5 8.1 -2.7 15.9 15 158 A K E -A 20 0A 124 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.676 26.1-179.5-151.4 91.9 5.6 0.1 16.1 16 159 A G - 0 0 52 3,-1.5 3,-0.1 -2,-0.2 632,-0.0 -0.047 46.6 -85.5 -79.0-175.4 6.2 3.0 18.6 17 160 A T S S+ 0 0 97 1,-0.2 3,-0.1 632,-0.1 -1,-0.0 0.872 124.8 30.6 -57.7 -41.3 4.2 6.1 19.4 18 161 A F S S- 0 0 61 1,-0.2 21,-0.5 20,-0.0 2,-0.3 0.478 125.6 -28.0-108.3 -6.5 5.6 8.2 16.6 19 162 A G E - B 0 38A 23 19,-0.2 -3,-1.5 -3,-0.1 2,-0.3 -0.991 62.8 -77.1 173.8-174.7 6.5 5.7 13.8 20 163 A K E -AB 15 37A 43 17,-1.6 17,-3.2 -2,-0.3 2,-0.6 -0.830 20.4-144.5-116.4 146.1 7.4 2.2 12.6 21 164 A V E -AB 14 36A 42 -7,-1.5 -8,-2.9 -2,-0.3 -7,-1.4 -0.933 23.5-171.1-109.5 113.6 10.7 0.2 12.5 22 165 A I E -AB 12 35A 14 13,-2.3 13,-3.1 -2,-0.6 2,-0.5 -0.876 24.9-124.8-110.4 134.7 11.0 -2.1 9.4 23 166 A L E -AB 11 34A 0 -12,-3.1 -13,-2.4 -2,-0.4 -12,-1.2 -0.661 41.8-173.9 -71.4 124.2 13.6 -4.7 8.6 24 167 A V E -AB 9 33A 0 9,-2.8 9,-2.9 -2,-0.5 2,-0.4 -0.903 26.0-149.4-127.8 149.2 15.2 -3.8 5.3 25 168 A K E -AB 8 32A 63 -17,-1.8 -17,-2.9 -2,-0.3 2,-0.4 -0.976 28.2-123.8-113.1 133.1 17.7 -5.2 2.7 26 169 A E E > -A 7 0A 6 5,-2.5 4,-2.7 -2,-0.4 -19,-0.2 -0.627 11.8-152.0 -76.6 126.7 19.8 -2.7 0.7 27 170 A K T 4 S+ 0 0 109 -21,-3.0 -1,-0.1 -2,-0.4 -20,-0.1 0.924 93.0 48.3 -63.2 -46.6 19.4 -3.2 -3.1 28 171 A A T 4 S+ 0 0 88 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.720 131.2 14.7 -68.3 -23.9 22.8 -1.9 -4.0 29 172 A T T 4 S- 0 0 61 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.527 86.6-129.9-136.6 -11.8 24.8 -4.0 -1.4 30 173 A G < + 0 0 35 -4,-2.7 2,-0.1 1,-0.2 -3,-0.1 0.347 60.5 131.5 79.4 -6.9 22.6 -6.8 0.0 31 174 A R - 0 0 134 -6,-0.1 -5,-2.5 1,-0.1 2,-0.3 -0.461 54.9-118.9 -79.3 153.6 23.3 -6.0 3.7 32 175 A Y E +B 25 0A 61 -7,-0.2 54,-0.6 -2,-0.1 2,-0.3 -0.732 34.3 169.3-100.8 142.0 20.4 -5.8 6.2 33 176 A Y E -BC 24 85A 17 -9,-2.9 -9,-2.8 -2,-0.3 2,-0.5 -0.819 33.1-116.6-136.7 175.8 19.4 -2.8 8.3 34 177 A A E -BC 23 84A 10 50,-2.7 50,-2.4 -2,-0.3 2,-0.5 -0.982 29.1-154.0-120.6 119.1 16.6 -1.6 10.5 35 178 A M E -BC 22 83A 0 -13,-3.1 -13,-2.3 -2,-0.5 2,-0.7 -0.811 7.5-154.0-100.5 128.0 14.7 1.5 9.3 36 179 A K E -BC 21 82A 35 46,-2.4 46,-2.2 -2,-0.5 2,-0.5 -0.896 19.1-166.0 -95.8 112.2 13.0 3.9 11.6 37 180 A I E -BC 20 81A 3 -17,-3.2 -17,-1.6 -2,-0.7 2,-0.4 -0.896 7.9-178.7-106.7 125.7 10.2 5.5 9.5 38 181 A L E -BC 19 80A 10 42,-3.0 42,-3.3 -2,-0.5 2,-0.5 -0.987 24.1-132.8-129.5 127.9 8.5 8.7 10.8 39 182 A K E >> - C 0 79A 88 -21,-0.5 4,-2.1 -2,-0.4 3,-0.7 -0.661 10.4-146.6 -78.4 124.9 5.7 10.7 9.2 40 183 A K H 3> S+ 0 0 5 38,-3.1 4,-2.7 -2,-0.5 5,-0.4 0.876 96.7 67.3 -56.0 -40.3 6.4 14.4 9.3 41 184 A E H 3> S+ 0 0 74 37,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.873 107.9 38.3 -46.6 -47.5 2.7 15.1 9.7 42 185 A V H <> S+ 0 0 44 -3,-0.7 4,-3.7 2,-0.2 6,-0.2 0.973 112.9 56.1 -67.5 -57.5 2.9 13.5 13.2 43 186 A I H <>S+ 0 0 1 -4,-2.1 5,-3.4 1,-0.2 6,-0.7 0.844 113.1 39.3 -44.7 -50.6 6.3 14.9 14.1 44 187 A V H ><5S+ 0 0 47 -4,-2.7 3,-0.8 264,-0.4 -1,-0.2 0.897 120.1 44.4 -72.3 -42.8 5.3 18.6 13.5 45 188 A A H 3<5S+ 0 0 69 -4,-1.4 -2,-0.2 -5,-0.4 -1,-0.2 0.937 115.7 45.9 -67.8 -48.1 1.8 18.3 15.0 46 189 A K T 3<5S- 0 0 150 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.198 113.2-118.3 -85.1 17.6 2.8 16.3 18.0 47 190 A D T < 5S+ 0 0 133 -3,-0.8 -3,-0.2 -5,-0.2 4,-0.2 0.833 72.4 133.2 53.7 43.9 5.8 18.7 18.6 48 191 A E >< + 0 0 28 -5,-3.4 4,-2.2 -6,-0.2 5,-0.2 0.361 32.1 102.9-105.7 4.7 8.4 16.0 18.2 49 192 A V H > S+ 0 0 45 -6,-0.7 4,-2.2 1,-0.2 5,-0.2 0.889 78.9 53.5 -55.4 -46.4 10.8 17.9 15.8 50 193 A A H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 110.3 45.8 -57.8 -48.7 13.3 18.7 18.5 51 194 A H H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 111.2 53.6 -61.0 -45.3 13.7 15.0 19.7 52 195 A T H X S+ 0 0 4 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.884 110.4 47.3 -54.9 -42.2 14.0 13.9 16.0 53 196 A L H X S+ 0 0 58 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.823 111.7 49.0 -73.1 -32.5 16.8 16.4 15.5 54 197 A T H X S+ 0 0 20 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.879 110.9 51.1 -73.5 -37.1 18.7 15.4 18.6 55 198 A E H X S+ 0 0 7 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.841 108.8 52.0 -66.5 -35.9 18.4 11.7 17.7 56 199 A N H X S+ 0 0 6 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.940 112.1 43.7 -67.1 -48.9 19.8 12.4 14.2 57 200 A R H X S+ 0 0 117 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.865 111.1 55.0 -63.5 -39.7 22.9 14.2 15.4 58 201 A V H < S+ 0 0 4 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.910 110.2 43.7 -66.3 -47.0 23.6 11.8 18.2 59 202 A L H >< S+ 0 0 1 -4,-1.7 3,-1.6 1,-0.2 11,-0.4 0.959 116.1 50.1 -57.7 -52.2 23.7 8.7 16.0 60 203 A Q H 3< S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.856 113.0 45.4 -51.8 -45.1 25.8 10.7 13.4 61 204 A N T 3< S+ 0 0 88 -4,-2.5 2,-0.4 -5,-0.1 -1,-0.3 0.177 103.9 78.7 -93.0 16.0 28.3 11.9 15.9 62 205 A S < + 0 0 5 -3,-1.6 8,-0.3 -5,-0.1 2,-0.3 -0.978 42.4 174.3-130.7 142.1 28.8 8.5 17.7 63 206 A R + 0 0 131 -2,-0.4 5,-0.1 6,-0.1 6,-0.0 -0.814 26.2 141.3-141.7 98.2 30.8 5.3 16.9 64 207 A H > - 0 0 14 3,-0.4 3,-2.1 -2,-0.3 53,-0.1 -0.999 56.8-122.6-140.9 140.5 30.8 2.6 19.7 65 208 A P T 3 S+ 0 0 28 0, 0.0 4,-0.1 0, 0.0 79,-0.1 0.649 114.7 43.3 -51.1 -19.1 30.6 -1.2 19.7 66 209 A F T 3 S+ 0 0 0 80,-0.1 81,-2.8 47,-0.1 2,-0.4 0.185 98.8 79.8-120.7 16.2 27.5 -1.0 21.9 67 210 A L B < S-f 147 0B 3 -3,-2.1 -3,-0.4 79,-0.2 2,-0.2 -0.990 88.1-111.9-117.1 131.7 25.6 1.8 20.1 68 211 A T - 0 0 3 79,-1.8 2,-0.2 -2,-0.4 -2,-0.1 -0.452 37.7-131.2 -61.0 125.3 23.6 1.1 17.0 69 212 A A - 0 0 39 -2,-0.2 16,-2.5 -4,-0.1 2,-0.6 -0.544 8.9-127.3 -80.6 144.4 25.4 2.9 14.1 70 213 A L E +D 84 0A 10 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.841 24.7 178.8 -92.2 121.7 23.6 5.1 11.6 71 214 A K E - 0 0 58 12,-2.5 248,-1.2 -2,-0.6 2,-0.3 0.957 68.5 -10.4 -81.6 -70.9 24.3 4.2 7.9 72 215 A Y E -DE 83 318A 33 11,-0.7 11,-2.5 246,-0.2 -1,-0.4 -0.898 54.1-164.1-120.5 157.6 22.1 6.7 6.1 73 216 A S E +DE 82 317A 1 244,-2.5 244,-3.0 -2,-0.3 2,-0.3 -0.932 24.4 164.0-137.5 124.9 19.4 9.1 7.2 74 217 A F E -D 81 0A 4 7,-1.7 7,-2.4 -2,-0.3 2,-0.3 -0.925 25.0-140.3-136.5 157.7 17.1 10.6 4.5 75 218 A Q E -D 80 0A 24 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.906 6.0-161.4-116.9 146.4 13.8 12.4 4.1 76 219 A T - 0 0 31 3,-2.8 5,-0.0 -2,-0.3 -73,-0.0 -0.424 50.7 -85.4 -98.7-171.0 11.0 12.1 1.6 77 220 A H S S+ 0 0 148 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.813 128.4 13.3 -61.3 -30.0 8.4 14.8 1.0 78 221 A D S S+ 0 0 29 -38,-0.1 -38,-3.1 1,-0.0 -37,-0.5 0.551 120.0 65.4-124.6 -18.2 6.4 13.3 3.9 79 222 A R E -C 39 0A 57 -40,-0.2 -3,-2.8 -39,-0.1 2,-0.4 -0.828 54.8-150.1-120.6 151.7 8.6 10.9 5.8 80 223 A L E -CD 38 75A 0 -42,-3.3 -42,-3.0 -2,-0.3 2,-0.4 -0.967 22.6-165.5-115.1 135.7 11.8 10.9 7.9 81 224 A C E -CD 37 74A 0 -7,-2.4 -7,-1.7 -2,-0.4 2,-0.6 -0.976 18.1-167.4-135.4 125.8 14.0 7.8 7.8 82 225 A F E -CD 36 73A 0 -46,-2.2 -46,-2.4 -2,-0.4 2,-0.8 -0.934 12.4-157.8-107.9 108.6 16.9 6.4 9.9 83 226 A V E +CD 35 72A 0 -11,-2.5 -12,-2.5 -2,-0.6 -11,-0.7 -0.794 29.2 180.0 -87.0 108.8 18.7 3.5 8.3 84 227 A M E -CD 34 70A 11 -50,-2.4 -50,-2.7 -2,-0.8 -14,-0.2 -0.731 37.4 -87.4-116.8 157.3 20.3 1.8 11.3 85 228 A E E -C 33 0A 73 -16,-2.5 2,-0.3 -2,-0.3 -52,-0.2 -0.429 54.8-119.9 -55.9 125.4 22.6 -1.2 12.1 86 229 A Y - 0 0 18 -54,-0.6 2,-0.8 -2,-0.2 55,-0.3 -0.583 14.8-148.2 -83.8 131.0 20.2 -4.1 12.6 87 230 A A > - 0 0 7 -2,-0.3 3,-1.1 1,-0.2 53,-0.2 -0.835 13.6-176.3-101.4 100.2 20.0 -5.9 16.0 88 231 A N T 3 S+ 0 0 5 -2,-0.8 206,-0.4 1,-0.2 52,-0.2 0.770 74.9 64.5 -64.4 -31.0 19.2 -9.6 15.2 89 232 A G T 3 S- 0 0 0 50,-1.9 -1,-0.2 1,-0.2 51,-0.2 0.560 94.8-141.9 -78.7 -10.2 19.0 -10.7 18.9 90 233 A G E < -G 139 0B 0 -3,-1.1 49,-2.4 49,-0.7 -1,-0.2 -0.162 40.9 -28.8 76.5-175.0 16.0 -8.5 19.8 91 234 A E E >> -G 138 0B 32 203,-0.5 4,-1.3 47,-0.2 3,-0.6 -0.436 44.5-130.0 -75.3 147.2 15.3 -6.6 23.0 92 235 A L H 3> S+ 0 0 0 45,-3.3 4,-2.5 42,-0.7 5,-0.2 0.837 112.0 64.0 -55.8 -35.9 16.6 -7.7 26.4 93 236 A F H 3> S+ 0 0 24 41,-1.3 4,-1.7 44,-0.4 -1,-0.2 0.832 98.2 54.6 -58.8 -36.6 13.0 -7.2 27.5 94 237 A F H <> S+ 0 0 26 -3,-0.6 4,-1.3 40,-0.2 -2,-0.2 0.980 112.5 40.4 -58.5 -58.9 12.0 -10.1 25.1 95 238 A H H X S+ 0 0 7 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.834 114.9 50.5 -63.5 -40.6 14.5 -12.6 26.7 96 239 A L H X S+ 0 0 11 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.869 104.9 57.0 -69.4 -39.1 14.0 -11.6 30.3 97 240 A S H < S+ 0 0 40 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.881 114.6 40.3 -55.3 -41.0 10.2 -11.9 30.0 98 241 A R H < S+ 0 0 138 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.857 124.7 35.9 -75.5 -37.0 10.7 -15.5 28.9 99 242 A E H < S- 0 0 91 -4,-2.2 2,-3.1 -5,-0.1 -2,-0.2 0.472 85.8-151.3 -98.5 -3.9 13.5 -16.3 31.4 100 243 A R S < S+ 0 0 166 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.1 -0.299 73.8 26.4 63.3 -57.1 12.3 -14.3 34.4 101 244 A V - 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0 0 89 -4,-1.9 2,-0.2 -5,-0.3 3,-0.1 -0.391 67.1-127.7 -77.6 129.0 10.6 3.6 49.6 222 365 A E - 0 0 164 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.501 38.7-100.6 -69.1 136.0 13.8 2.1 50.8 223 366 A I - 0 0 30 -2,-0.2 2,-0.4 18,-0.1 -1,-0.1 -0.222 38.1-164.2 -63.3 143.6 15.3 -0.4 48.3 224 367 A R - 0 0 182 -19,-0.2 -1,-0.0 -3,-0.1 -3,-0.0 -0.987 0.3-159.1-133.7 144.0 14.8 -4.2 48.9 225 368 A F - 0 0 32 -2,-0.4 -24,-0.0 4,-0.1 2,-0.0 -0.856 27.9 -98.0-122.1 151.1 16.5 -7.1 47.4 226 369 A P > - 0 0 28 0, 0.0 3,-0.7 0, 0.0 -1,-0.0 -0.349 34.4-122.7 -58.5 149.4 15.8 -10.9 47.0 227 370 A R T 3 S+ 0 0 244 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 0.648 109.0 62.9 -76.3 -15.8 17.5 -13.0 49.6 228 371 A T T 3 S+ 0 0 127 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.791 79.5 111.4 -66.6 -34.1 19.3 -15.0 46.9 229 372 A L < - 0 0 14 -3,-0.7 -4,-0.1 1,-0.1 -28,-0.0 -0.130 68.3-122.7 -60.3 137.4 21.2 -12.0 45.8 230 373 A G > - 0 0 12 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.335 20.4-110.1 -78.4 159.3 24.9 -11.9 46.4 231 374 A P H > S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.858 114.9 50.4 -56.1 -44.4 26.8 -9.1 48.4 232 375 A E H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 32,-0.3 0.880 113.7 44.7 -65.3 -41.5 28.6 -7.6 45.4 233 376 A A H > S+ 0 0 0 2,-0.2 4,-2.9 -3,-0.2 5,-0.2 0.914 112.8 51.7 -65.8 -44.6 25.4 -7.3 43.4 234 377 A K H X S+ 0 0 96 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.873 110.6 48.2 -63.5 -40.8 23.5 -5.9 46.3 235 378 A S H X S+ 0 0 37 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.904 112.9 47.4 -65.2 -46.4 26.1 -3.3 47.0 236 379 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.942 114.2 46.6 -60.4 -50.2 26.3 -2.2 43.3 237 380 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.881 112.8 50.3 -62.1 -40.2 22.5 -2.0 43.1 238 381 A S H < S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.913 113.3 47.1 -59.1 -44.5 22.3 -0.1 46.4 239 382 A G H >< S+ 0 0 12 -4,-2.5 10,-2.6 1,-0.2 3,-0.8 0.870 114.1 44.9 -67.9 -40.2 25.0 2.3 45.1 240 383 A L H 3< S+ 0 0 0 -4,-2.7 -47,-0.2 1,-0.2 -1,-0.2 0.822 113.9 51.5 -72.3 -30.7 23.3 2.9 41.7 241 384 A L T 3< S+ 0 0 6 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.027 71.6 137.2-102.8 26.2 19.9 3.3 43.3 242 385 A K < - 0 0 90 -3,-0.8 6,-0.1 1,-0.1 5,-0.1 -0.572 52.5-140.4 -65.4 132.4 20.8 5.9 45.9 243 386 A K S S+ 0 0 56 -2,-0.3 -67,-0.4 1,-0.1 -1,-0.1 0.859 88.7 66.2 -69.0 -37.1 17.9 8.4 45.8 244 387 A D S >> S- 0 0 52 1,-0.1 3,-3.0 -69,-0.1 4,-0.6 -0.797 77.8-149.3 -88.2 110.0 20.2 11.5 46.2 245 388 A P T 34 S+ 0 0 31 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.668 94.7 63.7 -56.0 -21.1 22.4 11.7 43.0 246 389 A K T 34 S+ 0 0 169 1,-0.2 4,-0.1 4,-0.0 -3,-0.0 0.626 108.3 42.1 -78.4 -12.9 25.3 13.2 45.0 247 390 A Q T <4 S+ 0 0 129 -3,-3.0 -1,-0.2 2,-0.1 2,-0.1 0.418 95.7 112.4-104.0 -4.4 25.5 9.9 46.9 248 391 A R S >< S- 0 0 3 -4,-0.6 3,-2.3 -3,-0.3 2,-0.4 -0.431 78.9-108.2 -77.4 141.1 25.0 7.8 43.9 249 392 A L T 3 S+ 0 0 24 -10,-2.6 -1,-0.1 1,-0.3 -2,-0.1 -0.549 114.6 22.4 -61.2 119.5 27.6 5.5 42.4 250 393 A G T 3 S+ 0 0 0 -2,-0.4 -1,-0.3 5,-0.1 5,-0.1 0.179 96.4 105.9 102.4 -14.6 28.6 7.4 39.2 251 394 A G < + 0 0 26 -3,-2.3 -65,-0.2 -65,-0.1 -2,-0.1 0.629 62.7 77.0 -76.4 -16.9 27.3 10.7 40.6 252 395 A G S > S- 0 0 27 -4,-0.4 3,-1.0 3,-0.2 6,-0.1 -0.029 101.9 -87.2 -80.6-171.9 30.7 12.3 41.2 253 396 A S T 3 S+ 0 0 102 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.780 124.5 65.5 -64.1 -31.2 33.3 13.9 38.9 254 397 A E T > S+ 0 0 73 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.574 81.7 173.7 -73.4 -8.6 34.8 10.4 38.3 255 398 A D T X> + 0 0 3 -3,-1.0 3,-1.0 1,-0.3 4,-0.6 -0.079 64.6 9.1 46.9-119.5 31.5 9.4 36.6 256 399 A A H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.754 120.8 70.5 -63.4 -28.9 31.6 6.0 35.0 257 400 A K H <> S+ 0 0 71 -3,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.810 90.6 59.3 -60.9 -34.9 35.0 5.2 36.6 258 401 A E H <4 S+ 0 0 61 -3,-1.0 -1,-0.2 -4,-0.3 4,-0.2 0.900 109.9 42.7 -59.9 -42.1 33.4 4.9 40.0 259 402 A I H >< S+ 0 0 0 -4,-0.6 3,-0.8 -3,-0.5 6,-0.2 0.813 110.9 55.3 -74.6 -34.2 31.2 2.1 38.8 260 403 A M H 3< S+ 0 0 28 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.874 105.4 53.1 -64.9 -38.7 34.0 0.4 36.8 261 404 A Q T 3< S+ 0 0 74 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.529 85.0 121.3 -71.0 -10.8 36.1 0.3 40.0 262 405 A H S X S- 0 0 23 -3,-0.8 3,-2.5 -4,-0.2 4,-0.2 -0.350 72.1-126.0 -69.4 137.8 33.3 -1.4 41.9 263 406 A R G > S+ 0 0 135 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.719 107.6 66.8 -56.5 -27.5 34.0 -4.8 43.3 264 407 A F G 3 S+ 0 0 1 -32,-0.3 -1,-0.3 1,-0.3 -31,-0.1 0.840 103.0 47.8 -59.4 -33.3 31.0 -6.4 41.5 265 408 A F G X S+ 0 0 2 -3,-2.5 3,-2.1 -6,-0.2 -1,-0.3 0.335 84.1 144.8 -92.1 8.6 32.9 -5.7 38.3 266 409 A A T < + 0 0 75 -3,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.071 67.0 19.4 -47.2 139.7 36.2 -7.2 39.7 267 410 A G T 3 S+ 0 0 80 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.400 89.6 129.3 76.0 -4.9 38.3 -9.0 37.1 268 411 A I < - 0 0 19 -3,-2.1 2,-0.8 -8,-0.2 -1,-0.3 -0.749 51.7-147.8 -80.5 125.3 36.5 -7.3 34.2 269 412 A V > - 0 0 41 -2,-0.5 4,-1.6 1,-0.1 3,-0.1 -0.863 5.8-157.6 -93.1 110.9 39.1 -5.8 31.8 270 413 A W H > S+ 0 0 35 -2,-0.8 4,-1.7 1,-0.2 -1,-0.1 0.797 90.4 53.0 -66.9 -30.5 37.4 -2.7 30.5 271 414 A Q H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 108.7 51.3 -66.4 -41.1 39.6 -2.5 27.3 272 415 A H H 4>S+ 0 0 69 1,-0.2 5,-2.2 2,-0.2 6,-0.6 0.806 106.4 55.1 -65.5 -31.0 38.6 -6.1 26.5 273 416 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.0 2,-0.2 -1,-0.2 0.926 108.8 46.9 -64.4 -47.6 34.9 -5.2 27.0 274 417 A Y H 3<5S+ 0 0 104 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.819 112.8 49.8 -62.6 -34.0 35.2 -2.5 24.4 275 418 A E T 3<5S- 0 0 83 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.456 110.5-124.7 -86.4 -3.2 37.1 -4.8 22.0 276 419 A K T < 5 + 0 0 77 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.666 64.7 140.9 68.3 21.2 34.3 -7.5 22.5 277 420 A K < + 0 0 125 -5,-2.2 -4,-0.2 -6,-0.2 2,-0.1 0.754 42.6 95.8 -65.0 -24.7 36.9 -10.1 23.7 278 421 A L S S- 0 0 48 -6,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.414 83.1-112.9 -71.1 140.4 34.5 -11.4 26.3 279 422 A S - 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0 0 20 -2,-0.3 3,-2.0 -22,-0.2 4,-0.2 -0.484 45.4 -69.1-124.7-168.2 65.2 15.7 36.6 506 328 B R T > S+ 0 0 53 -24,-0.3 3,-1.5 1,-0.3 4,-0.4 0.665 113.2 81.0 -59.4 -17.6 67.3 13.0 34.9 507 329 B A T >> + 0 0 5 1,-0.3 4,-1.7 65,-0.2 3,-0.8 0.667 68.5 81.7 -66.3 -15.7 66.5 10.7 37.8 508 330 B V H <> S+ 0 0 13 -3,-2.0 4,-2.1 1,-0.3 -1,-0.3 0.825 87.1 59.6 -55.9 -28.9 63.1 9.8 36.2 509 331 B D H <> S+ 0 0 1 -3,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.866 101.7 50.6 -68.3 -35.9 65.2 7.4 34.1 510 332 B W H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.2 0.811 106.1 55.8 -75.4 -28.4 66.4 5.6 37.2 511 333 B W H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.965 110.0 46.2 -57.6 -54.2 62.8 5.3 38.3 512 334 B G H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.914 108.7 54.5 -52.7 -49.0 62.0 3.6 34.9 513 335 B L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.928 109.3 50.8 -49.9 -46.7 65.1 1.4 35.3 514 336 B G H X S+ 0 0 0 -4,-2.1 4,-1.5 47,-0.3 -2,-0.2 0.904 110.8 47.2 -56.9 -46.6 63.5 0.4 38.6 515 337 B V H >X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 3,-0.6 0.982 113.7 43.7 -65.5 -56.1 60.1 -0.3 37.1 516 338 B V H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.830 115.7 49.7 -62.4 -31.4 61.2 -2.5 34.1 517 339 B M H 3X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.4 -1,-0.3 0.771 108.6 52.5 -75.8 -26.5 63.7 -4.4 36.4 518 340 B Y H S+ 0 0 0 -4,-1.5 4,-2.7 -3,-0.6 5,-0.5 0.918 110.7 49.1 -68.8 -44.4 60.9 -4.9 38.9 519 341 B E H X5S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.904 109.4 52.5 -54.7 -45.9 58.9 -6.3 36.0 520 342 B M H <5S+ 0 0 0 -4,-2.0 -97,-3.2 1,-0.2 -1,-0.2 0.847 120.4 30.5 -64.7 -35.5 61.8 -8.5 34.9 521 343 B M H <5S+ 0 0 6 -4,-1.5 -1,-0.2 -99,-0.2 -2,-0.2 0.710 130.5 33.2-100.6 -23.3 62.3 -10.1 38.4 522 344 B C H <5S- 0 0 5 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.654 95.3-129.5-106.5 -22.9 58.8 -10.1 39.8 523 345 B G S < S- 0 0 24 1,-0.1 4,-1.8 -274,-0.1 3,-0.5 -0.755 76.4-147.9 -89.9 115.2 42.1 3.2 35.8 532 354 B H H > S+ 0 0 82 -2,-0.7 4,-1.4 1,-0.2 -1,-0.1 0.779 97.0 54.3 -53.2 -31.5 44.9 5.7 35.1 533 355 B E H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.933 109.6 44.1 -69.0 -47.0 43.7 7.9 37.9 534 356 B K H > S+ 0 0 89 -3,-0.5 4,-1.3 1,-0.2 -2,-0.2 0.743 109.9 59.2 -70.6 -23.8 43.7 5.2 40.6 535 357 B L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.858 101.7 52.6 -69.9 -39.3 47.1 4.1 39.3 536 358 B F H X S+ 0 0 33 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.790 105.2 55.7 -69.2 -31.7 48.6 7.6 39.9 537 359 B E H X S+ 0 0 110 -4,-1.1 4,-3.2 2,-0.2 5,-0.4 0.920 107.4 50.1 -59.6 -47.0 47.4 7.4 43.5 538 360 B L H X S+ 0 0 44 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.901 107.2 53.1 -61.0 -42.9 49.3 4.1 43.9 539 361 B I H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.886 120.2 33.3 -62.4 -38.4 52.5 5.6 42.5 540 362 B L H < S+ 0 0 52 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.827 130.0 30.1 -85.9 -34.1 52.4 8.5 45.0 541 363 B M H < S+ 0 0 146 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.954 96.1 78.9 -90.8 -63.2 50.8 6.7 48.1 542 364 B E S < S- 0 0 80 -4,-0.5 2,-0.2 -5,-0.4 3,-0.1 -0.201 72.3-126.3 -61.5 133.8 51.6 3.0 48.3 543 365 B E - 0 0 154 1,-0.1 -1,-0.1 21,-0.0 -2,-0.1 -0.523 43.3 -88.5 -72.7 149.2 55.0 1.7 49.6 544 366 B I - 0 0 22 -2,-0.2 2,-0.4 18,-0.1 -1,-0.1 -0.207 39.0-140.8 -65.3 147.9 56.8 -0.7 47.3 545 367 B R - 0 0 151 -19,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.936 11.4-160.8-120.7 128.7 56.1 -4.4 47.5 546 368 B F - 0 0 39 -2,-0.4 9,-0.0 4,-0.0 -28,-0.0 -0.929 17.4-130.2-118.8 119.1 58.7 -7.2 47.2 547 369 B P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 8,-0.0 -0.316 24.8-126.1 -53.6 140.3 58.1 -10.9 46.4 548 370 B R T 3 S+ 0 0 223 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.394 102.4 77.1 -78.4 5.0 59.9 -13.1 48.9 549 371 B T T 3 S+ 0 0 118 2,-0.0 -1,-0.3 -27,-0.0 2,-0.2 0.629 75.5 103.2 -79.9 -17.8 61.7 -14.9 46.0 550 372 B L S < S- 0 0 14 -3,-1.6 -4,-0.0 1,-0.1 -28,-0.0 -0.461 72.5-125.7 -76.7 135.3 64.0 -11.9 45.6 551 373 B G > - 0 0 18 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.144 29.8-105.4 -65.8 170.9 67.6 -12.0 46.9 552 374 B P H > S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.870 120.3 49.1 -70.4 -38.2 68.7 -9.3 49.3 553 375 B E H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 32,-0.3 0.925 113.3 47.6 -63.7 -49.5 70.9 -7.5 46.7 554 376 B A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 111.5 50.1 -55.8 -48.7 67.9 -7.5 44.2 555 377 B K H X S+ 0 0 70 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.888 112.1 48.8 -59.0 -41.2 65.5 -6.3 46.9 556 378 B S H X S+ 0 0 39 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.891 108.6 51.1 -68.7 -44.2 67.9 -3.4 47.8 557 379 B L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.966 113.2 46.0 -56.4 -53.7 68.5 -2.3 44.2 558 380 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 111.6 52.9 -54.9 -47.6 64.7 -2.1 43.6 559 381 B S H < S+ 0 0 43 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.936 114.2 42.0 -49.8 -55.3 64.3 -0.3 46.9 560 382 B G H >< S+ 0 0 12 -4,-2.7 3,-1.3 1,-0.2 10,-1.2 0.937 115.5 48.1 -60.1 -52.2 66.8 2.3 46.0 561 383 B L H 3< S+ 0 0 0 -4,-3.2 -47,-0.3 1,-0.2 -1,-0.2 0.773 112.7 50.5 -61.3 -28.0 65.7 2.7 42.4 562 384 B L T 3< S+ 0 0 6 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.192 70.9 134.9-105.0 17.3 62.0 3.1 43.5 563 385 B K < - 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