==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-AUG-09 2WQE . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BIBBY,R.BAYLISS . 241 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 0.4 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 . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 1 2 0 1 1 0 1 0 0 1 0 0 0 1 0 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 . 1 0 1 0 1 1 2 0 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 . 0 0 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 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 1 127 A Q 0 0 145 0, 0.0 73,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 39.9 -31.5 0.3 11.9 2 128 A W + 0 0 73 71,-0.3 2,-0.3 2,-0.0 73,-0.2 -0.166 360.0 167.7 -65.3 141.6 -31.6 1.9 8.4 3 129 A A > - 0 0 29 71,-0.1 3,-2.2 1,-0.1 4,-0.1 -0.980 45.7-110.3-148.6 158.2 -33.5 0.5 5.5 4 130 A L G > S+ 0 0 56 -2,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.868 114.0 63.1 -59.5 -40.6 -34.5 1.7 2.0 5 131 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.548 87.7 75.0 -62.7 -5.0 -38.2 1.8 2.9 6 132 A D G < S+ 0 0 53 -3,-2.2 21,-1.7 21,-0.1 22,-0.5 0.561 93.8 66.0 -79.9 -8.1 -37.2 4.5 5.4 7 133 A F E < -A 26 0A 9 -3,-2.4 2,-0.6 19,-0.2 19,-0.2 -0.882 68.0-144.6-122.7 144.8 -36.8 6.9 2.6 8 134 A E E -A 25 0A 96 17,-2.7 17,-2.2 -2,-0.4 2,-0.3 -0.946 34.2-140.7 -98.3 118.3 -39.0 8.7 -0.0 9 135 A I E +A 24 0A 80 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.638 25.0 175.7 -86.9 136.8 -36.8 8.9 -3.1 10 136 A G E - 0 0 39 13,-3.6 3,-0.1 -2,-0.3 -1,-0.1 -0.203 43.3 -23.9-116.6-149.3 -36.7 11.9 -5.3 11 137 A R E - 0 0 153 11,-0.1 12,-2.3 1,-0.1 -1,-0.2 -0.298 68.7-101.6 -73.1 144.0 -34.8 13.1 -8.4 12 138 A P E -A 22 0A 76 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.425 26.1-163.3 -60.1 126.3 -31.3 11.8 -9.2 13 139 A L E - 0 0 56 8,-2.7 2,-0.2 1,-0.3 9,-0.2 0.729 64.4 -42.5 -85.2 -24.2 -28.7 14.3 -8.2 14 140 A G E -A 21 0A 34 7,-1.3 7,-2.7 2,-0.0 2,-0.4 -0.869 52.8-102.6 170.5 160.4 -26.0 12.6 -10.4 15 141 A K E -A 20 0A 88 -2,-0.2 5,-0.2 5,-0.2 2,-0.2 -0.869 36.5-169.3-101.5 134.9 -24.4 9.4 -11.5 16 142 A G E > -A 19 0A 44 3,-3.8 3,-0.5 -2,-0.4 -2,-0.0 -0.450 41.7 -84.3-110.6-174.3 -21.1 8.2 -10.0 17 143 A K T 3 S+ 0 0 81 1,-0.2 3,-0.1 -2,-0.2 21,-0.0 0.860 126.6 23.8 -57.3 -38.0 -18.5 5.6 -10.8 18 144 A F T 3 S- 0 0 57 1,-0.1 21,-2.8 19,-0.0 2,-0.3 0.199 128.7 -39.8-120.8 12.8 -20.4 2.9 -8.9 19 145 A G E < S-AB 16 38A 14 -3,-0.5 -3,-3.8 19,-0.2 2,-0.3 -0.992 71.3 -50.6 159.3-164.5 -24.1 4.1 -8.9 20 146 A N E -AB 15 37A 56 17,-0.5 17,-3.1 -2,-0.3 2,-0.4 -0.733 29.3-141.7-108.1 155.7 -26.6 6.9 -8.5 21 147 A V E -AB 14 36A 29 -7,-2.7 -8,-2.7 -2,-0.3 -7,-1.3 -0.964 25.6-167.7-112.9 133.0 -27.1 9.7 -6.0 22 148 A Y E -AB 12 35A 63 13,-2.2 13,-3.4 -2,-0.4 2,-0.3 -0.933 26.6-119.8-124.5 142.7 -30.7 10.6 -5.2 23 149 A L E + B 0 34A 47 -12,-2.3 -13,-3.6 -2,-0.4 2,-0.3 -0.596 47.5 175.5 -68.2 138.1 -32.5 13.4 -3.4 24 150 A A E -AB 9 33A 3 9,-2.1 9,-2.4 -2,-0.3 2,-0.4 -0.989 27.3-151.3-155.3 141.2 -34.3 11.7 -0.5 25 151 A R E -AB 8 32A 90 -17,-2.2 -17,-2.7 -2,-0.3 2,-0.6 -0.942 25.1-124.0-113.4 135.3 -36.5 12.6 2.5 26 152 A E E > -A 7 0A 3 5,-2.7 4,-1.6 -2,-0.4 -19,-0.2 -0.670 14.3-150.7 -76.7 118.7 -36.6 10.5 5.6 27 153 A K T 4 S+ 0 0 100 -21,-1.7 -1,-0.2 -2,-0.6 -20,-0.1 0.850 90.2 50.1 -53.5 -37.8 -40.3 9.6 6.2 28 154 A Q T 4 S+ 0 0 163 -22,-0.5 -1,-0.1 1,-0.2 -21,-0.1 0.995 129.8 9.7 -70.9 -69.7 -39.7 9.5 10.0 29 155 A R T 4 S- 0 0 137 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.475 96.8-125.4 -97.9 -2.4 -37.9 12.7 11.0 30 156 A K < + 0 0 126 -4,-1.6 2,-0.1 1,-0.2 -3,-0.1 0.754 48.4 166.6 64.8 27.8 -38.4 14.3 7.6 31 157 A F - 0 0 100 -5,-0.1 -5,-2.7 -6,-0.0 2,-0.4 -0.463 33.1-131.8 -67.7 142.2 -34.7 15.0 7.1 32 158 A I E +B 25 0A 93 -7,-0.2 54,-0.4 -2,-0.1 2,-0.3 -0.821 42.8 147.6 -92.7 138.1 -33.5 16.0 3.6 33 159 A L E -B 24 0A 3 -9,-2.4 -9,-2.1 -2,-0.4 2,-0.6 -0.972 49.3-101.6-160.8 169.2 -30.5 14.1 2.4 34 160 A A E -BC 23 84A 6 50,-2.7 50,-2.4 -2,-0.3 2,-0.8 -0.913 29.4-150.8-103.5 119.1 -28.6 12.6 -0.5 35 161 A L E -BC 22 83A 1 -13,-3.4 -13,-2.2 -2,-0.6 2,-0.6 -0.804 10.8-161.6 -91.3 108.9 -29.0 8.9 -0.9 36 162 A K E -BC 21 82A 79 46,-2.8 46,-3.1 -2,-0.8 2,-0.6 -0.804 3.1-161.2 -96.3 117.9 -25.9 7.4 -2.5 37 163 A V E -BC 20 81A 13 -17,-3.1 -17,-0.5 -2,-0.6 2,-0.4 -0.865 7.7-173.6-105.8 116.0 -26.4 4.0 -4.0 38 164 A L E -BC 19 80A 8 42,-3.2 42,-2.5 -2,-0.6 2,-0.6 -0.887 20.2-133.7-110.3 137.1 -23.3 1.9 -4.7 39 165 A F E >> - C 0 79A 69 -21,-2.8 4,-1.8 -2,-0.4 3,-0.6 -0.797 5.6-152.3 -91.2 118.5 -23.3 -1.5 -6.5 40 166 A K H 3> S+ 0 0 34 38,-1.9 4,-3.2 -2,-0.6 5,-0.3 0.817 95.7 60.2 -57.5 -34.5 -21.2 -4.2 -4.7 41 167 A A H 3> S+ 0 0 67 37,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.932 110.1 41.8 -55.7 -46.6 -20.6 -5.9 -8.0 42 168 A Q H <> S+ 0 0 89 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.761 115.8 49.4 -76.3 -27.2 -18.9 -2.8 -9.3 43 169 A L H X>S+ 0 0 2 -4,-1.8 5,-2.7 2,-0.2 6,-0.7 0.917 112.3 46.7 -74.5 -47.6 -17.1 -2.1 -6.1 44 170 A E H ><5S+ 0 0 117 -4,-3.2 3,-0.6 3,-0.2 -2,-0.2 0.908 112.6 53.7 -57.7 -44.7 -15.8 -5.7 -5.8 45 171 A K H 3<5S+ 0 0 184 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.985 112.1 39.8 -49.4 -72.8 -14.8 -5.4 -9.5 46 172 A A H 3<5S- 0 0 66 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.521 112.4-124.2 -57.5 -5.8 -12.7 -2.2 -9.1 47 173 A G T <<5S+ 0 0 54 -3,-0.6 4,-0.4 -4,-0.5 3,-0.3 0.777 75.5 124.3 66.1 31.0 -11.5 -3.8 -5.9 48 174 A V >< + 0 0 28 -5,-2.7 4,-1.7 -6,-0.2 -4,-0.2 0.456 35.9 93.2-103.9 -2.7 -12.6 -0.8 -3.9 49 175 A E H > S+ 0 0 52 -6,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.783 86.9 55.8 -64.8 -24.7 -14.9 -2.4 -1.3 50 176 A H H >> S+ 0 0 79 -3,-0.3 4,-1.3 2,-0.2 3,-1.3 0.997 109.5 40.6 -65.3 -70.4 -11.9 -2.6 1.0 51 177 A Q H 3> S+ 0 0 68 -4,-0.4 4,-2.9 1,-0.3 5,-0.2 0.716 108.5 67.2 -51.8 -24.0 -10.9 1.1 1.0 52 178 A L H 3X S+ 0 0 30 -4,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.889 98.4 47.9 -66.9 -43.3 -14.7 1.9 1.2 53 179 A R H X S+ 0 0 61 -4,-1.3 4,-2.1 2,-0.2 3,-0.5 0.994 113.7 46.1 -57.2 -64.4 -12.1 2.5 5.8 55 181 A E H 3X S+ 0 0 39 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.819 112.6 52.7 -52.1 -36.7 -13.1 5.7 4.2 56 182 A V H 3X S+ 0 0 4 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.3 0.918 107.3 51.3 -65.1 -43.9 -16.6 5.3 5.5 57 183 A E H < S+ 0 0 61 -4,-2.1 3,-1.7 1,-0.2 4,-0.3 0.948 112.3 52.2 -61.8 -49.2 -13.2 8.0 9.1 59 185 A Q H >< S+ 0 0 18 -4,-2.2 11,-0.7 1,-0.3 3,-0.5 0.703 100.4 65.0 -63.1 -20.4 -15.8 10.2 7.3 60 186 A S H 3< S+ 0 0 24 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.801 104.5 45.3 -67.3 -29.6 -18.4 9.2 9.9 61 187 A H T << S+ 0 0 133 -3,-1.7 2,-0.4 -4,-0.7 -1,-0.2 0.298 86.1 101.3-107.0 6.3 -16.4 10.9 12.7 62 188 A L < - 0 0 13 -3,-0.5 2,-0.4 -4,-0.3 8,-0.3 -0.791 45.7-176.1 -86.7 134.6 -15.5 14.2 11.1 63 189 A R + 0 0 137 -2,-0.4 5,-0.1 6,-0.1 -3,-0.0 -0.907 27.8 128.5-129.0 105.4 -17.6 17.1 12.2 64 190 A H > - 0 0 36 3,-0.5 3,-2.2 -2,-0.4 -2,-0.0 -0.958 61.3-124.4-160.0 138.3 -16.8 20.3 10.3 65 191 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.721 113.8 45.2 -55.3 -27.2 -18.9 23.0 8.4 66 192 A N T 3 S+ 0 0 20 47,-0.1 80,-2.3 79,-0.1 2,-0.4 0.105 99.3 80.0-109.0 20.2 -16.7 22.5 5.3 67 193 A I B < S-e 146 0B 8 -3,-2.2 -3,-0.5 78,-0.3 80,-0.2 -0.992 87.0-115.3-124.2 124.3 -16.6 18.6 5.3 68 194 A L - 0 0 5 78,-2.6 2,-0.2 -2,-0.4 -6,-0.1 -0.348 35.2-124.5 -62.3 125.0 -19.7 16.8 3.9 69 195 A R - 0 0 70 -2,-0.1 16,-3.1 -4,-0.1 2,-0.7 -0.499 13.0-154.4 -78.2 133.8 -21.4 14.8 6.7 70 196 A L E -D 84 0A 6 -11,-0.7 14,-0.2 -8,-0.3 3,-0.1 -0.905 13.2-177.9-103.1 103.3 -22.0 11.1 6.5 71 197 A Y E - 0 0 110 12,-1.7 2,-0.3 -2,-0.7 13,-0.2 0.801 56.8 -47.9 -73.8 -33.9 -25.0 10.5 8.7 72 198 A G E -D 83 0A 13 11,-1.2 11,-2.4 2,-0.0 2,-0.3 -0.971 49.8-144.0-176.3-171.8 -25.2 6.7 8.3 73 199 A Y E +D 82 0A 97 -2,-0.3 2,-0.3 9,-0.2 -71,-0.3 -0.980 12.1 173.5-166.1 170.9 -25.2 3.8 5.9 74 200 A F E -D 81 0A 21 7,-1.8 7,-3.7 -2,-0.3 2,-0.3 -0.958 11.0-151.4-170.4 177.8 -26.6 0.3 5.3 75 201 A H E -D 80 0A 121 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.960 7.3-160.4-154.4 166.6 -26.7 -2.4 2.7 76 202 A D - 0 0 52 3,-2.1 -2,-0.0 -2,-0.3 -73,-0.0 -0.721 57.1 -68.9-133.4-165.1 -28.5 -5.3 1.1 77 203 A A S S+ 0 0 94 -2,-0.2 3,-0.1 1,-0.2 -37,-0.0 0.890 129.8 23.8 -52.2 -42.0 -27.5 -8.3 -1.0 78 204 A T S S+ 0 0 76 1,-0.1 -38,-1.9 -38,-0.1 -37,-0.5 0.710 118.8 34.3-106.0 -27.2 -26.6 -6.1 -4.0 79 205 A R E -C 39 0A 66 -40,-0.2 -3,-2.1 -39,-0.1 2,-0.4 -0.957 55.1-135.0-142.0 157.7 -25.9 -2.6 -2.9 80 206 A V E -CD 38 75A 3 -42,-2.5 -42,-3.2 -2,-0.3 2,-0.6 -0.879 22.7-151.9-103.1 134.2 -24.5 -0.2 -0.3 81 207 A Y E -CD 37 74A 5 -7,-3.7 -7,-1.8 -2,-0.4 2,-0.5 -0.939 5.5-162.8-113.8 121.5 -26.4 2.8 0.7 82 208 A L E -CD 36 73A 12 -46,-3.1 -46,-2.8 -2,-0.6 2,-0.9 -0.895 10.2-148.6-104.2 126.2 -24.7 5.9 2.0 83 209 A I E +CD 35 72A 3 -11,-2.4 -12,-1.7 -2,-0.5 -11,-1.2 -0.810 32.0 179.8 -94.3 103.9 -26.7 8.5 3.8 84 210 A L E -CD 34 70A 16 -50,-2.4 -50,-2.7 -2,-0.9 -14,-0.2 -0.762 37.5 -98.7-111.3 149.2 -25.0 11.8 3.0 85 211 A E - 0 0 31 -16,-3.1 2,-0.5 -2,-0.3 -52,-0.1 -0.433 48.2-121.4 -51.2 128.9 -25.4 15.5 3.7 86 212 A Y - 0 0 57 -54,-0.4 54,-0.2 -2,-0.1 -1,-0.1 -0.733 21.0-159.4 -84.1 123.1 -27.3 16.9 0.8 87 213 A A > - 0 0 14 -2,-0.5 3,-1.1 52,-0.1 51,-0.2 -0.905 4.5-167.1-104.4 105.0 -25.3 19.7 -1.0 88 214 A P T 3 S+ 0 0 50 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.541 76.6 57.7 -76.5 -12.3 -27.9 21.7 -3.0 89 215 A L T 3 S- 0 0 102 49,-2.4 50,-0.1 1,-0.3 2,-0.0 0.307 98.1-134.0-105.5 11.2 -25.6 23.8 -5.2 90 216 A G < - 0 0 30 -3,-1.1 48,-2.5 48,-0.4 -1,-0.3 -0.270 43.6 -22.8 79.7-160.3 -23.7 20.9 -6.9 91 217 A T B > -F 137 0B 39 46,-0.2 4,-1.3 1,-0.1 46,-0.3 -0.497 42.1-131.9 -91.9 156.2 -20.0 20.4 -7.5 92 218 A V H > S+ 0 0 0 44,-2.6 4,-1.5 41,-0.9 42,-0.2 0.847 110.4 61.1 -67.0 -36.0 -17.3 23.0 -7.7 93 219 A Y H > S+ 0 0 93 40,-1.2 4,-1.3 43,-0.5 3,-0.4 0.935 105.8 42.5 -54.5 -52.1 -16.2 21.2 -10.9 94 220 A R H > S+ 0 0 148 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.818 112.4 55.0 -68.8 -29.8 -19.6 21.9 -12.6 95 221 A E H X S+ 0 0 27 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.752 104.0 54.9 -71.2 -23.8 -19.5 25.5 -11.3 96 222 A L H < S+ 0 0 12 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.823 110.4 46.5 -76.3 -31.4 -16.1 25.8 -12.9 97 223 A Q H < S+ 0 0 89 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.1 0.917 112.4 48.2 -74.3 -48.1 -17.7 24.7 -16.2 98 224 A K H < S+ 0 0 159 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.993 124.1 32.4 -53.0 -73.3 -20.7 27.0 -15.9 99 225 A L S < S- 0 0 49 -4,-1.6 3,-0.1 1,-0.1 0, 0.0 -0.224 89.7-138.4 -62.2 171.7 -18.4 30.0 -15.0 100 226 A S S S- 0 0 101 1,-0.6 2,-0.3 77,-0.0 -1,-0.1 0.752 77.3 -4.2-107.1 -31.8 -15.1 29.6 -16.9 101 227 A K S S- 0 0 94 -6,-0.1 -1,-0.6 79,-0.0 2,-0.3 -0.913 78.6-111.2-144.2 165.8 -12.8 30.6 -14.1 102 228 A F - 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0 0 8 0, 0.0 3,-1.2 0, 0.0 -9,-0.1 -0.426 37.3-119.8 -66.0 149.8 -4.9 22.6 -13.9 183 328 A P T 3 S+ 0 0 4 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.697 108.0 43.1 -68.6 -22.7 -1.3 23.9 -14.0 184 329 A F T 3 S+ 0 0 0 -31,-0.2 12,-0.2 17,-0.1 11,-0.2 0.155 77.9 146.2-112.8 16.9 0.3 20.7 -15.2 185 330 A E < + 0 0 78 -3,-1.2 2,-0.3 10,-0.1 -4,-0.0 -0.349 20.0 162.5 -64.3 128.2 -2.2 19.8 -17.9 186 331 A A - 0 0 27 2,-0.1 6,-0.1 -2,-0.1 -33,-0.1 -0.952 50.3 -99.5-147.9 161.6 -0.6 18.0 -20.9 187 332 A N S S+ 0 0 151 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 0.757 99.4 20.9 -58.6 -31.1 -1.6 15.9 -23.9 188 333 A T S > S- 0 0 68 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.838 79.9-106.5-134.1 172.4 -0.5 12.5 -22.4 189 334 A Y H > S+ 0 0 72 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.957 118.5 51.5 -62.0 -50.8 0.1 10.8 -19.1 190 335 A Q H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 110.0 48.7 -56.9 -41.2 3.9 10.9 -19.6 191 336 A E H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 112.7 47.6 -64.1 -45.0 3.9 14.6 -20.4 192 337 A T H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.854 108.4 56.1 -64.8 -34.8 1.8 15.4 -17.4 193 338 A Y H X S+ 0 0 90 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.948 109.4 45.6 -60.8 -49.7 4.1 13.2 -15.3 194 339 A K H X S+ 0 0 92 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 112.2 51.2 -55.3 -51.6 7.2 15.2 -16.4 195 340 A R H <>S+ 0 0 64 -4,-2.3 5,-3.0 1,-0.2 4,-0.3 0.889 115.0 41.2 -57.3 -46.8 5.5 18.6 -15.8 196 341 A I H ><5S+ 0 0 0 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.894 113.6 55.2 -65.9 -39.7 4.3 17.7 -12.3 197 342 A S H 3<5S+ 0 0 38 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.842 118.2 32.7 -66.7 -33.8 7.7 16.1 -11.6 198 343 A R T 3<5S- 0 0 150 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.300 109.6-120.6-103.0 4.4 9.7 19.2 -12.5 199 344 A V T < 5 + 0 0 28 -3,-0.7 2,-1.0 -4,-0.3 -3,-0.2 0.940 45.9 177.0 52.3 54.3 6.9 21.6 -11.2 200 345 A E < + 0 0 76 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.2 -0.750 14.4 138.5 -95.2 94.5 6.5 23.2 -14.7 201 346 A F - 0 0 42 -2,-1.0 2,-0.3 -17,-0.1 -17,-0.1 -0.942 29.5-162.2-128.1 155.3 3.7 25.8 -14.7 202 347 A T - 0 0 113 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.926 18.9-124.6-127.4 159.0 3.3 29.2 -16.3 203 348 A F - 0 0 39 -2,-0.3 2,-0.1 4,-0.1 -28,-0.0 -0.861 14.6-129.8-105.5 136.6 0.8 32.0 -15.5 204 349 A P > - 0 0 40 0, 0.0 3,-2.0 0, 0.0 0, 0.0 -0.500 38.9-102.6 -71.9 155.8 -1.5 33.8 -17.9 205 350 A D T 3 S+ 0 0 156 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.757 114.8 64.7 -58.3 -28.5 -1.3 37.6 -17.7 206 351 A F T 3 S+ 0 0 98 2,-0.1 2,-0.7 -27,-0.0 -1,-0.3 0.627 74.4 102.9 -75.5 -9.3 -4.5 38.1 -15.6 207 352 A V S < S- 0 0 6 -3,-2.0 -4,-0.1 4,-0.1 -28,-0.0 -0.662 73.6-134.5 -75.7 116.3 -3.1 36.2 -12.6 208 353 A T > - 0 0 55 -2,-0.7 4,-2.0 1,-0.1 3,-0.2 -0.183 18.6-105.0 -70.0 164.2 -2.1 39.0 -10.2 209 354 A E H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.846 117.3 53.6 -61.9 -39.3 1.2 39.1 -8.3 210 355 A G H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 109.9 46.3 -62.4 -44.5 -0.4 38.1 -5.0 211 356 A A H > S+ 0 0 0 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.867 110.7 53.5 -66.7 -37.7 -2.0 35.0 -6.4 212 357 A R H X S+ 0 0 83 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.878 107.6 52.1 -63.2 -38.1 1.2 34.0 -8.2 213 358 A D H X S+ 0 0 57 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.867 112.0 44.4 -68.8 -40.0 3.1 34.3 -4.9 214 359 A L H X S+ 0 0 1 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.925 113.9 48.3 -71.1 -48.0 0.8 32.0 -3.0 215 360 A I H >X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 3,-0.6 0.937 111.5 51.5 -58.7 -46.2 0.5 29.4 -5.7 216 361 A S H 3< S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.860 108.7 50.6 -60.4 -40.4 4.3 29.3 -6.1 217 362 A R H 3< S+ 0 0 115 -4,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.785 115.2 43.9 -64.9 -28.2 4.8 28.8 -2.4 218 363 A L H << S+ 0 0 0 -4,-1.4 2,-1.6 -3,-0.6 -2,-0.2 0.867 104.9 61.9 -87.4 -38.3 2.3 25.9 -2.5 219 364 A L S < S+ 0 0 6 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.447 70.7 145.0 -87.8 62.0 3.7 24.3 -5.6 220 365 A K - 0 0 68 -2,-1.6 6,-0.1 -3,-0.3 -21,-0.1 -0.887 49.9-139.8-100.0 131.7 7.1 23.6 -4.2 221 366 A H S S+ 0 0 79 -2,-0.5 -63,-0.2 -23,-0.1 -1,-0.1 0.882 91.1 62.5 -58.6 -41.6 8.6 20.3 -5.4 222 367 A N S > S- 0 0 90 1,-0.1 3,-1.6 -3,-0.1 4,-0.2 -0.806 79.9-145.2 -95.5 123.6 10.0 19.5 -2.0 223 368 A P G > S+ 0 0 32 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.746 92.8 63.9 -59.3 -36.1 7.2 19.1 0.7 224 369 A S G 3 S+ 0 0 112 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.680 98.9 57.4 -66.8 -18.5 9.1 20.6 3.6 225 370 A Q G < S+ 0 0 122 -3,-1.6 -1,-0.3 -5,-0.1 -4,-0.1 0.481 83.1 103.8 -93.3 -2.0 9.2 23.9 1.8 226 371 A R S < S- 0 0 4 -3,-1.6 -8,-0.2 -4,-0.2 -58,-0.1 -0.533 79.5-100.8 -78.6 149.2 5.4 24.1 1.5 227 372 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.065 32.4-102.4 -59.7 171.5 3.7 26.5 3.9 228 373 A M >> - 0 0 91 1,-0.1 4,-1.6 -61,-0.0 3,-1.0 -0.714 35.1-113.4 -87.0 149.7 1.8 25.6 7.0 229 374 A L H 3> S+ 0 0 8 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.859 119.4 57.6 -52.2 -33.0 -1.9 25.7 6.6 230 375 A R H 3> S+ 0 0 184 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.819 100.5 54.7 -69.5 -31.1 -2.0 28.6 9.0 231 376 A E H <4 S+ 0 0 91 -3,-1.0 4,-0.4 2,-0.2 -1,-0.2 0.829 106.9 52.5 -72.7 -31.3 0.4 30.6 6.7 232 377 A V H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.962 107.3 50.8 -63.0 -53.8 -2.1 30.1 3.9 233 378 A L H 3< S+ 0 0 41 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.791 116.6 41.5 -51.0 -33.0 -5.0 31.4 6.0 234 379 A E T 3< S+ 0 0 108 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.390 81.8 132.5-103.8 4.2 -3.0 34.5 6.9 235 380 A H <> - 0 0 18 -3,-1.4 4,-2.8 -4,-0.4 5,-0.4 -0.308 64.2-125.7 -57.4 132.7 -1.5 35.1 3.4 236 381 A P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.835 110.9 48.6 -52.7 -37.4 -1.9 38.8 2.4 237 382 A W H > S+ 0 0 16 -27,-0.2 4,-1.4 2,-0.2 5,-0.1 0.906 113.2 47.7 -71.7 -40.0 -3.6 37.9 -0.8 238 383 A I H >> S+ 0 0 1 -6,-0.2 4,-2.2 2,-0.2 3,-1.2 0.991 115.0 43.2 -60.3 -61.8 -5.9 35.5 1.0 239 384 A T H 3< S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 112.9 55.6 -55.6 -33.0 -6.9 38.0 3.7 240 385 A A H 3< S+ 0 0 75 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.830 122.2 24.9 -68.4 -29.0 -7.2 40.7 1.1 241 386 A N H << S+ 0 0 44 -4,-1.4 -132,-0.3 -3,-1.2 2,-0.3 0.498 95.2 104.0-117.8 -5.2 -9.7 38.7 -1.0 242 387 A S < 0 0 33 -4,-2.2 -136,-0.1 -134,-0.2 -137,-0.1 -0.633 360.0 360.0 -90.0 137.3 -11.5 36.3 1.3 243 388 A S 0 0 131 -138,-0.4 -1,-0.1 -2,-0.3 -2,-0.1 -0.477 360.0 360.0 -62.3 360.0 -15.1 36.7 2.6