==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-APR-08 3CQU . COMPND 2 MOLECULE: RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.PANDIT . 329 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 62.6 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 . 50 15.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 1 2 0 1 0 2 0 0 1 0 0 1 0 0 0 1 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 144 A R 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.2 -1.7 -6.8 -3.5 2 145 A V + 0 0 28 1,-0.1 2,-0.2 4,-0.1 313,-0.0 0.391 360.0 153.7 -17.2 126.8 0.5 -4.5 -1.0 3 146 A T > - 0 0 63 71,-0.1 3,-1.4 73,-0.0 -1,-0.1 -0.785 58.8 -84.0-141.1-175.4 4.3 -3.9 -1.0 4 147 A M G > S+ 0 0 36 1,-0.3 3,-1.3 -2,-0.2 -2,-0.1 0.741 120.1 67.2 -69.7 -25.2 6.8 -1.2 0.0 5 148 A N G 3 S+ 0 0 117 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.649 87.1 71.7 -68.9 -12.1 6.4 0.7 -3.3 6 149 A E G < S+ 0 0 63 -3,-1.4 21,-2.8 21,-0.1 22,-0.4 0.417 97.7 54.1 -86.3 1.1 2.8 1.5 -2.2 7 150 A F E < S-A 26 0A 2 -3,-1.3 2,-0.4 19,-0.2 19,-0.2 -0.932 72.2-134.3-132.3 155.6 3.9 3.9 0.4 8 151 A E E -A 25 0A 83 17,-1.5 17,-1.6 -2,-0.3 2,-0.6 -0.885 25.3-132.9-102.7 145.4 6.1 7.0 0.7 9 152 A Y E +A 24 0A 93 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.884 37.5 158.4-107.7 109.5 8.5 7.1 3.7 10 153 A L E + 0 0 49 13,-1.9 2,-0.4 -2,-0.6 14,-0.2 0.904 52.8 7.7-103.9 -57.3 8.3 10.5 5.5 11 154 A K E -A 23 0A 58 12,-1.3 12,-2.5 291,-0.0 2,-0.7 -0.984 53.4-131.0-140.4 140.9 9.6 10.3 9.1 12 155 A L E +A 22 0A 18 288,-0.4 10,-0.2 287,-0.4 290,-0.1 -0.809 27.0 175.8 -83.1 119.1 11.3 8.0 11.5 13 156 A L E - 0 0 9 8,-2.1 283,-0.4 -2,-0.7 2,-0.3 0.700 60.6 -12.6 -96.1 -27.9 9.1 8.2 14.7 14 157 A G E -A 21 0A 9 7,-1.4 7,-2.4 285,-0.2 2,-0.3 -0.984 53.1-164.8-171.1 162.8 11.0 5.6 16.7 15 158 A K E +A 20 0A 110 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.997 32.8 78.5-150.4 150.5 13.6 2.8 16.8 16 159 A G E > S-A 19 0A 45 3,-1.4 3,-2.1 -2,-0.3 311,-0.1 -0.999 85.9 -5.3 159.6-145.1 14.8 -0.0 19.0 17 160 A T T 3 S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.756 128.0 57.2 -45.7 -29.4 14.2 -3.6 20.2 18 161 A F T 3 S- 0 0 64 1,-0.4 -1,-0.3 20,-0.0 2,-0.2 0.262 113.5-114.2 -94.6 11.0 10.9 -3.4 18.3 19 162 A G E < -A 16 0A 20 -3,-2.1 -3,-1.4 17,-0.1 -1,-0.4 -0.616 56.4 -40.7 81.2-153.3 12.5 -2.6 14.8 20 163 A K E -AB 15 37A 52 17,-1.8 17,-2.7 -2,-0.2 2,-0.5 -0.876 45.9-153.8-116.2 142.2 11.8 0.8 13.2 21 164 A V E -AB 14 36A 26 -7,-2.4 -8,-2.1 -2,-0.4 -7,-1.4 -0.989 17.1-174.0-117.6 129.4 8.5 2.7 13.1 22 165 A I E -AB 12 35A 22 13,-1.9 13,-2.9 -2,-0.5 2,-0.8 -0.954 29.7-127.0-127.5 131.6 7.9 5.1 10.2 23 166 A L E +AB 11 34A 0 -12,-2.5 -13,-1.9 -2,-0.4 -12,-1.3 -0.760 45.9 177.5 -67.5 107.5 5.2 7.7 9.4 24 167 A V E -AB 9 33A 0 9,-2.9 9,-2.6 -2,-0.8 2,-0.5 -0.764 26.4-137.0-113.7 164.2 4.2 6.6 5.8 25 168 A K E -AB 8 32A 49 -17,-1.6 -17,-1.5 -2,-0.2 2,-0.3 -0.982 20.8-126.9-121.1 121.4 1.6 7.7 3.2 26 169 A E E >> -A 7 0A 14 5,-3.0 4,-2.4 -2,-0.5 3,-0.5 -0.525 17.9-147.7 -66.2 120.7 -0.4 5.2 1.2 27 170 A K T 34 S+ 0 0 93 -21,-2.8 -1,-0.2 -2,-0.3 -20,-0.1 0.955 92.8 47.3 -57.2 -50.7 0.0 6.2 -2.5 28 171 A A T 34 S+ 0 0 97 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.647 127.5 23.5 -71.3 -17.3 -3.4 5.1 -3.7 29 172 A T T <4 S- 0 0 56 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.549 90.6-128.0-124.0 -9.1 -5.4 6.8 -0.8 30 173 A G < + 0 0 34 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.536 60.4 145.2 68.1 11.5 -3.2 9.6 0.5 31 174 A R - 0 0 152 -5,-0.3 -5,-3.0 -6,-0.1 2,-0.2 -0.549 44.8-129.3 -91.8 143.9 -3.7 8.2 4.0 32 175 A Y E +B 25 0A 67 -7,-0.2 54,-0.6 -2,-0.2 2,-0.3 -0.620 31.0 165.7 -90.9 147.9 -1.1 8.2 6.7 33 176 A Y E -BC 24 85A 21 -9,-2.6 -9,-2.9 -2,-0.2 2,-0.6 -0.949 38.4-115.2-148.5 164.5 0.0 5.2 8.8 34 177 A A E -BC 23 84A 12 50,-2.5 50,-3.4 -2,-0.3 2,-0.6 -0.959 31.3-159.3-100.6 118.4 2.8 4.1 11.2 35 178 A M E -BC 22 83A 0 -13,-2.9 -13,-1.9 -2,-0.6 2,-0.5 -0.928 3.4-159.5-105.4 114.5 4.7 1.2 9.6 36 179 A K E -BC 21 82A 16 46,-2.5 46,-2.3 -2,-0.6 2,-0.5 -0.818 16.1-166.5 -96.1 122.9 6.6 -1.0 12.0 37 180 A I E -BC 20 81A 7 -17,-2.7 -17,-1.8 -2,-0.5 2,-0.3 -0.970 7.6-173.7-125.0 114.7 9.3 -2.8 9.9 38 181 A L E - C 0 80A 15 42,-2.9 42,-2.1 -2,-0.5 2,-0.5 -0.800 25.6-124.0-107.7 150.6 11.3 -5.7 11.2 39 182 A K E > - C 0 79A 88 -2,-0.3 4,-1.2 40,-0.2 3,-0.3 -0.825 16.1-140.2 -88.8 130.2 14.2 -7.5 9.5 40 183 A K H > S+ 0 0 4 38,-2.1 4,-1.3 -2,-0.5 5,-0.2 0.734 98.9 62.6 -54.3 -28.3 13.4 -11.2 9.1 41 184 A E H > S+ 0 0 130 37,-0.4 4,-2.6 2,-0.2 3,-0.3 0.930 100.2 46.4 -69.6 -51.8 17.1 -11.9 10.1 42 185 A V H > S+ 0 0 70 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.837 109.9 58.8 -61.7 -26.6 17.1 -10.5 13.6 43 186 A I H <>S+ 0 0 4 -4,-1.2 5,-2.7 2,-0.2 -1,-0.2 0.823 110.2 38.4 -77.8 -36.5 13.8 -12.4 14.3 44 187 A V H ><5S+ 0 0 44 -4,-1.3 3,-2.4 263,-0.3 -1,-0.2 0.940 111.9 60.2 -71.6 -49.2 15.2 -15.8 13.5 45 188 A A H 3<5S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.817 108.1 44.2 -48.4 -34.8 18.4 -14.9 15.2 46 189 A K T 3<5S- 0 0 143 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.1 0.015 112.0-120.5-100.0 33.5 16.5 -14.2 18.5 47 190 A D T < 5S+ 0 0 155 -3,-2.4 -3,-0.2 1,-0.1 -2,-0.1 0.832 77.7 120.5 23.4 59.2 14.4 -17.4 18.1 48 191 A E >< + 0 0 56 -5,-2.7 4,-0.9 1,-0.1 3,-0.2 -0.054 7.5 121.5-142.5 44.1 11.2 -15.4 18.1 49 192 A V H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.771 78.0 67.3 -70.5 -21.0 9.2 -15.8 14.9 50 193 A A H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 94.4 54.8 -64.8 -41.5 6.5 -17.0 17.3 51 194 A H H > S+ 0 0 43 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.830 107.7 50.4 -53.5 -40.9 6.2 -13.4 18.8 52 195 A T H X S+ 0 0 7 -4,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.898 110.4 47.0 -73.1 -40.5 5.6 -12.0 15.4 53 196 A L H X S+ 0 0 52 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.887 112.8 51.9 -63.1 -41.9 2.9 -14.5 14.5 54 197 A T H X S+ 0 0 22 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.882 112.4 44.8 -59.2 -42.9 1.3 -13.8 18.0 55 198 A E H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.918 111.8 51.9 -71.5 -45.2 1.4 -10.1 17.3 56 199 A N H X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.938 115.1 42.7 -51.4 -47.6 0.0 -10.5 13.8 57 200 A R H X S+ 0 0 103 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.741 112.0 52.2 -76.8 -28.3 -2.9 -12.6 15.0 58 201 A V H X S+ 0 0 3 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.868 111.6 47.9 -79.6 -36.2 -3.6 -10.4 18.1 59 202 A L H < S+ 0 0 7 -4,-2.5 11,-0.4 -5,-0.2 3,-0.4 0.866 110.1 51.6 -68.5 -32.5 -3.8 -7.4 15.9 60 203 A Q H < S+ 0 0 47 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.956 114.6 42.5 -76.8 -41.4 -6.1 -9.0 13.3 61 204 A N H < S+ 0 0 80 -4,-1.7 2,-0.5 -5,-0.1 -1,-0.2 0.404 98.4 87.9 -82.6 -2.3 -8.6 -10.2 15.8 62 205 A S < + 0 0 14 -4,-0.6 2,-0.4 -3,-0.4 8,-0.3 -0.893 40.2 170.5 -98.9 127.5 -8.7 -7.0 18.0 63 206 A R + 0 0 131 -2,-0.5 5,-0.1 6,-0.1 -3,-0.0 -0.948 28.0 133.7-124.4 116.3 -11.1 -4.1 17.4 64 207 A H > - 0 0 15 -2,-0.4 3,-1.5 3,-0.4 5,-0.1 -0.968 58.8-123.9-159.5 135.6 -10.9 -1.7 20.3 65 208 A P T 3 S+ 0 0 24 0, 0.0 4,-0.1 0, 0.0 79,-0.1 0.602 109.5 46.1 -57.2 -19.3 -10.6 2.1 20.6 66 209 A F T 3 S+ 0 0 0 47,-0.1 81,-2.8 80,-0.1 2,-0.4 0.027 99.7 78.2-119.0 18.0 -7.5 2.1 22.8 67 210 A L B < S-f 147 0B 6 -3,-1.5 2,-0.5 79,-0.2 -3,-0.4 -0.989 91.0-109.5-121.2 137.4 -5.6 -0.5 20.8 68 211 A T - 0 0 10 79,-2.2 81,-0.1 -2,-0.4 -2,-0.1 -0.545 36.2-126.3 -70.5 117.8 -3.9 0.6 17.5 69 212 A A - 0 0 30 -2,-0.5 16,-2.0 -4,-0.1 2,-0.5 -0.173 11.2-133.9 -50.4 142.3 -5.6 -0.9 14.4 70 213 A L E +D 84 0A 4 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.934 25.3 171.9 -99.4 132.6 -3.9 -2.9 11.7 71 214 A K E S+ 0 0 67 12,-2.4 247,-1.9 -2,-0.5 2,-0.3 0.765 70.1 7.5-103.3 -45.2 -4.7 -2.0 8.1 72 215 A Y E -DE 83 317A 39 11,-1.4 11,-3.0 245,-0.2 2,-0.4 -0.985 47.2-171.3-139.1 140.0 -2.0 -4.2 6.4 73 216 A S E +DE 82 316A 2 243,-1.6 243,-2.9 -2,-0.3 2,-0.3 -0.990 28.4 155.9-108.3 132.3 0.5 -6.9 7.2 74 217 A F E -D 81 0A 4 7,-1.9 7,-2.0 -2,-0.4 2,-0.3 -0.982 23.8-152.7-148.1 155.8 2.8 -7.8 4.3 75 218 A Q E -D 80 0A 22 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.837 3.7-161.3-121.7 158.7 6.2 -9.2 4.1 76 219 A T - 0 0 36 3,-3.1 5,-0.0 -2,-0.3 -73,-0.0 -0.439 47.1 -82.8-117.9-158.3 9.0 -9.0 1.6 77 220 A H S S+ 0 0 112 -2,-0.2 3,-0.0 1,-0.1 -2,-0.0 0.884 129.1 17.7 -74.3 -32.7 12.1 -11.1 1.0 78 221 A D S S+ 0 0 36 -38,-0.1 -38,-2.1 -39,-0.0 -37,-0.4 0.503 121.8 52.3-120.4 -18.5 14.0 -9.4 3.8 79 222 A R E -C 39 0A 74 -40,-0.2 -3,-3.1 -39,-0.1 2,-0.4 -0.885 53.6-147.4-131.0 155.3 11.3 -7.6 6.0 80 223 A L E -CD 38 75A 0 -42,-2.1 -42,-2.9 -2,-0.3 2,-0.4 -0.962 27.6-167.3-111.5 140.9 8.0 -8.0 7.9 81 224 A C E -CD 37 74A 0 -7,-2.0 -7,-1.9 -2,-0.4 2,-0.5 -0.997 17.5-168.1-141.1 130.4 5.8 -4.9 7.9 82 225 A F E -CD 36 73A 0 -46,-2.3 -46,-2.5 -2,-0.4 2,-0.8 -0.967 10.7-159.4-122.7 105.0 2.8 -3.9 10.0 83 226 A V E +CD 35 72A 0 -11,-3.0 -12,-2.4 -2,-0.5 -11,-1.4 -0.777 26.1 176.9 -81.4 108.8 1.0 -0.9 8.6 84 227 A M E -CD 34 70A 8 -50,-3.4 -50,-2.5 -2,-0.8 -14,-0.2 -0.838 39.4 -80.6-118.5 157.5 -1.0 0.4 11.6 85 228 A E E -C 33 0A 64 -16,-2.0 2,-0.5 -2,-0.3 -52,-0.2 -0.280 55.3-114.1 -48.3 133.1 -3.3 3.3 12.3 86 229 A Y - 0 0 24 -54,-0.6 2,-0.8 -62,-0.1 -1,-0.1 -0.706 16.6-147.4 -86.8 121.2 -1.1 6.4 13.0 87 230 A A > - 0 0 13 -2,-0.5 3,-1.3 1,-0.2 53,-0.2 -0.724 16.4-174.4 -91.1 103.6 -1.2 7.9 16.6 88 231 A N T 3 S+ 0 0 10 -2,-0.8 206,-0.3 1,-0.3 52,-0.2 0.708 70.8 66.3 -90.4 -22.1 -0.7 11.5 15.9 89 232 A G T 3 S- 0 0 0 50,-1.2 -1,-0.3 1,-0.2 51,-0.2 0.377 98.8-135.9 -79.6 3.6 -0.5 12.8 19.5 90 233 A G E < -G 139 0B 0 -3,-1.3 49,-1.2 49,-0.6 2,-0.3 -0.204 37.6 -21.9 94.1-166.2 2.8 10.9 20.1 91 234 A E E > -G 138 0B 18 203,-1.1 4,-1.8 47,-0.2 47,-0.2 -0.705 41.1-143.3 -90.3 142.7 4.4 8.8 22.9 92 235 A L H > S+ 0 0 0 45,-2.6 4,-3.6 42,-0.4 5,-0.3 0.848 106.3 60.7 -72.4 -34.7 3.1 9.1 26.4 93 236 A F H > S+ 0 0 10 41,-0.5 4,-2.5 44,-0.4 -1,-0.2 0.963 103.9 51.7 -48.9 -50.4 6.8 8.6 27.4 94 237 A F H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.963 113.9 41.3 -46.8 -65.8 7.4 11.8 25.4 95 238 A H H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.881 114.1 49.5 -54.8 -46.8 4.7 13.8 27.2 96 239 A L H X S+ 0 0 7 -4,-3.6 4,-2.6 1,-0.2 -1,-0.2 0.962 107.6 58.5 -69.8 -37.6 5.4 12.5 30.8 97 240 A S H < S+ 0 0 59 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.921 110.6 40.8 -40.0 -55.7 9.1 13.4 30.1 98 241 A R H < S+ 0 0 168 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.961 125.1 35.0 -63.9 -45.5 8.2 17.0 29.5 99 242 A E H < S- 0 0 82 -4,-2.5 2,-2.2 1,-0.1 -2,-0.2 0.613 84.9-153.7 -90.9 -12.8 5.6 17.4 32.3 100 243 A R S < S+ 0 0 185 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.1 -0.144 74.5 30.0 72.4 -50.1 7.3 15.1 34.9 101 244 A V S S- 0 0 63 -2,-2.2 2,-0.3 100,-0.1 99,-0.2 -0.997 70.9-140.6-140.1 142.0 4.0 14.3 36.5 102 245 A F - 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0 0 93 -4,-2.5 2,-0.1 -5,-0.3 -1,-0.0 -0.807 63.9-130.7-113.9 145.2 10.0 -3.4 49.5 222 365 A E - 0 0 141 -2,-0.4 -2,-0.0 1,-0.1 -3,-0.0 -0.497 39.7-100.6 -78.2 145.3 6.8 -1.5 49.9 223 366 A I - 0 0 13 -2,-0.1 2,-0.3 18,-0.1 -1,-0.1 -0.282 30.7-123.3 -58.4 150.1 6.1 1.4 47.6 224 367 A R - 0 0 159 -19,-0.3 -1,-0.1 -2,-0.0 0, 0.0 -0.754 17.8-148.2 -93.3 148.7 6.6 5.0 48.7 225 368 A F - 0 0 69 -2,-0.3 9,-0.0 4,-0.0 -24,-0.0 -0.948 12.9-133.7-122.5 101.5 3.8 7.3 48.5 226 369 A P > - 0 0 26 0, 0.0 3,-1.8 0, 0.0 8,-0.0 -0.293 24.3-117.7 -46.8 138.5 4.6 11.0 47.8 227 370 A R T 3 S+ 0 0 226 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.384 108.7 71.7 -64.3 0.6 2.6 13.3 50.1 228 371 A T T 3 S+ 0 0 127 2,-0.1 2,-0.3 -27,-0.0 -1,-0.2 0.499 75.7 104.6 -90.4 -5.6 0.8 14.9 47.1 229 372 A L < - 0 0 18 -3,-1.8 -4,-0.0 1,-0.1 -28,-0.0 -0.591 69.7-131.4 -79.4 128.3 -1.2 11.7 46.5 230 373 A G > - 0 0 19 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.324 28.2-105.0 -75.5 162.7 -4.8 11.8 47.6 231 374 A P H > S+ 0 0 87 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.853 120.6 51.9 -67.7 -31.2 -6.2 8.9 49.6 232 375 A E H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 32,-0.3 0.934 111.7 47.4 -64.3 -47.7 -8.1 7.4 46.7 233 376 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.4 0.932 109.6 52.0 -60.4 -45.0 -4.9 7.4 44.6 234 377 A K H X S+ 0 0 70 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.884 112.8 50.1 -60.3 -30.7 -2.8 5.9 47.6 235 378 A S H X S+ 0 0 30 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.890 108.9 46.4 -78.3 -44.3 -5.4 3.2 47.7 236 379 A L H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.998 117.4 44.3 -63.0 -56.7 -5.5 2.3 43.9 237 380 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.900 113.2 51.8 -55.0 -37.0 -1.7 2.1 43.6 238 381 A S H < S+ 0 0 42 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.951 115.4 41.5 -66.2 -50.8 -1.4 0.2 46.9 239 382 A G H >< S+ 0 0 12 -4,-2.4 10,-1.6 1,-0.2 3,-1.1 0.900 112.9 51.9 -60.2 -43.1 -4.0 -2.3 45.7 240 383 A L H 3< S+ 0 0 0 -4,-3.2 -47,-0.3 1,-0.2 -1,-0.2 0.771 112.0 49.5 -66.2 -18.3 -2.7 -2.6 42.1 241 384 A L T 3< S+ 0 0 12 -4,-1.5 2,-0.3 -5,-0.3 -1,-0.2 0.098 70.6 138.0-118.0 23.5 0.8 -3.3 43.5 242 385 A K < - 0 0 95 -3,-1.1 6,-0.1 1,-0.1 -3,-0.1 -0.585 51.1-142.8 -56.6 131.6 -0.0 -6.0 46.0 243 386 A K S S+ 0 0 39 -2,-0.3 -67,-0.5 4,-0.1 -1,-0.1 0.828 86.0 73.9 -82.6 -30.2 2.8 -8.4 45.5 244 387 A D S >> S- 0 0 78 1,-0.2 3,-1.7 -69,-0.1 4,-0.8 -0.711 75.1-151.8 -75.2 112.8 0.6 -11.4 46.0 245 388 A P G >4 S+ 0 0 17 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.955 96.8 62.7 -55.1 -40.7 -1.5 -11.7 42.7 246 389 A K G 34 S+ 0 0 135 1,-0.3 5,-0.1 -3,-0.1 -3,-0.0 0.773 109.8 38.3 -54.6 -27.0 -4.2 -13.3 44.9 247 390 A Q G <4 S+ 0 0 127 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.387 95.7 111.9-100.2 -4.8 -4.5 -10.1 47.0 248 391 A R S X< S- 0 0 2 -3,-1.9 3,-1.9 -4,-0.8 2,-0.3 -0.437 78.8-105.6 -75.5 144.0 -4.1 -7.8 44.0 249 392 A L T 3 S+ 0 0 22 -10,-1.6 -1,-0.1 1,-0.3 -2,-0.1 -0.565 113.5 22.8 -63.2 122.9 -7.0 -5.5 42.7 250 393 A G T 3 S+ 0 0 1 -2,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.370 98.8 103.5 94.5 2.4 -8.2 -7.2 39.5 251 394 A G < + 0 0 16 -3,-1.9 -65,-0.1 -6,-0.1 -2,-0.1 0.343 60.2 75.2-106.2 0.9 -6.8 -10.6 40.6 252 395 A G S > S- 0 0 40 3,-0.2 3,-0.9 -4,-0.1 6,-0.1 -0.149 107.7 -75.7 -87.0-163.4 -9.9 -12.4 41.7 253 396 A S T 3 S+ 0 0 89 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.815 127.3 62.5 -70.3 -26.9 -12.5 -13.9 39.3 254 397 A E T > S+ 0 0 104 1,-0.2 3,-1.9 2,-0.1 -1,-0.2 0.612 78.6 178.1 -84.7 -2.9 -14.0 -10.5 38.4 255 398 A D T X> + 0 0 6 -3,-0.9 3,-1.7 1,-0.3 4,-0.6 -0.180 67.5 13.2 52.4-127.5 -10.7 -9.2 36.9 256 399 A A H >> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.779 119.2 70.5 -52.2 -34.3 -11.0 -5.6 35.5 257 400 A K H <> S+ 0 0 112 -3,-1.9 4,-1.5 1,-0.3 -1,-0.3 0.766 90.3 58.2 -59.7 -29.5 -14.3 -5.1 37.2 258 401 A E H <4 S+ 0 0 81 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.843 110.9 45.4 -71.7 -23.6 -12.7 -5.0 40.7 259 402 A I H X< S+ 0 0 0 -3,-1.1 3,-1.3 -4,-0.6 6,-0.3 0.883 107.7 54.8 -85.4 -32.6 -10.7 -2.0 39.3 260 403 A M H 3< S+ 0 0 45 -4,-1.8 8,-0.2 1,-0.3 -2,-0.2 0.868 108.8 50.1 -69.7 -30.2 -13.7 -0.2 37.6 261 404 A Q T 3< S+ 0 0 158 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.505 84.0 115.8 -84.4 -5.8 -15.5 -0.3 41.0 262 405 A H S X S- 0 0 21 -3,-1.3 3,-2.0 1,-0.1 4,-0.1 -0.453 76.3-119.7 -72.8 144.9 -12.6 1.2 42.9 263 406 A R G > S+ 0 0 144 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.720 109.2 71.1 -61.5 -23.1 -13.2 4.7 44.5 264 407 A F G 3 S+ 0 0 2 -32,-0.3 -1,-0.3 1,-0.2 -31,-0.1 0.886 104.5 42.6 -49.3 -41.3 -10.4 6.2 42.5 265 408 A F G X S+ 0 0 2 -3,-2.0 3,-1.8 -6,-0.3 -1,-0.2 0.198 82.2 145.4 -95.0 15.5 -12.7 5.8 39.4 266 409 A A T < S+ 0 0 75 -3,-1.6 3,-0.1 1,-0.3 -5,-0.1 -0.197 71.7 16.1 -54.3 136.7 -15.8 6.9 41.1 267 410 A G T 3 S+ 0 0 82 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.858 90.4 127.5 61.0 26.4 -18.0 8.8 38.6 268 411 A I < - 0 0 28 -3,-1.8 2,-0.8 -8,-0.2 -1,-0.3 -0.978 55.3-145.8 -95.4 132.4 -16.1 7.5 35.7 269 412 A V >> - 0 0 68 -2,-0.5 4,-1.7 1,-0.1 3,-0.8 -0.858 6.0-156.2-103.0 109.1 -18.8 6.0 33.5 270 413 A W H 3> S+ 0 0 44 -2,-0.8 4,-1.7 1,-0.3 -1,-0.1 0.719 88.9 50.7 -62.1 -32.3 -17.3 3.0 31.9 271 414 A Q H 3> S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.850 110.3 53.3 -73.9 -30.9 -19.5 2.8 28.7 272 415 A H H <>>S+ 0 0 66 -3,-0.8 5,-2.6 2,-0.2 4,-0.5 0.833 106.2 52.3 -65.2 -37.3 -18.8 6.5 28.1 273 416 A V H ><5S+ 0 0 1 -4,-1.7 3,-0.8 3,-0.2 -2,-0.2 0.939 112.9 45.5 -57.7 -51.3 -15.0 5.7 28.3 274 417 A Y H 3<5S+ 0 0 109 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.895 113.6 47.2 -59.6 -43.0 -15.5 3.0 25.7 275 418 A E H 3<5S- 0 0 86 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.398 111.5-121.8 -87.2 -1.1 -17.7 5.2 23.5 276 419 A K T <<5 + 0 0 82 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.746 68.8 135.7 68.5 35.1 -15.2 8.1 23.8 277 420 A K < + 0 0 134 -5,-2.6 2,-0.4 -6,-0.1 -4,-0.2 0.176 42.5 94.7 -96.8 17.3 -17.6 10.6 25.2 278 421 A L S S- 0 0 41 -6,-0.4 0, 0.0 -5,-0.2 0, 0.0 -0.934 83.2-111.3-110.6 132.7 -15.2 11.9 27.9 279 422 A S - 0 0 102 -2,-0.4 -2,-0.1 1,-0.1 -136,-0.1 -0.421 27.0-125.0 -63.0 119.5 -13.0 15.0 27.1 280 423 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 -136,-0.1 -0.530 15.5-137.9 -61.8 126.5 -9.3 14.2 26.8 281 424 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 -175,-0.1 0.466 92.7 40.8 -70.4 -0.7 -7.6 16.5 29.3 282 425 A F - 0 0 48 -140,-0.2 3,-0.0 -139,-0.2 0, 0.0 -0.901 69.0-164.4-148.4 114.1 -5.0 17.1 26.7 283 426 A K - 0 0 94 -2,-0.3 -141,-0.1 -3,-0.1 -140,-0.1 -0.904 32.0-121.7 -94.9 109.0 -5.8 17.6 23.0 284 427 A P - 0 0 8 0, 0.0 2,-1.0 0, 0.0 -195,-0.1 -0.256 18.7-133.7 -41.3 137.8 -2.6 17.3 21.1 285 428 A Q + 0 0 136 -196,-0.1 2,-0.4 2,-0.0 8,-0.1 -0.815 38.9 164.9-105.4 89.7 -1.9 20.5 19.1 286 429 A V - 0 0 41 -2,-1.0 3,-0.1 -145,-0.2 -197,-0.0 -0.898 31.8-154.5-109.8 150.1 -1.0 19.2 15.7 287 430 A T S S- 0 0 110 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.046 75.0 -22.3-112.6 24.0 -0.9 21.4 12.7 288 431 A S S > S- 0 0 59 3,-0.1 3,-0.6 1,-0.0 -1,-0.2 -0.798 81.5 -82.4 137.7 170.6 -1.5 18.8 10.0 289 432 A E T 3 S+ 0 0 112 -2,-0.2 -148,-0.0 1,-0.2 -1,-0.0 0.655 124.7 57.6 -82.2 -17.6 -1.0 14.9 9.8 290 433 A T T 3 S+ 0 0 55 -280,-0.0 2,-0.5 -258,-0.0 -1,-0.2 0.438 79.2 112.1 -99.2 4.2 2.6 15.2 9.1 291 434 A D < + 0 0 22 -3,-0.6 3,-0.3 1,-0.1 -3,-0.1 -0.662 38.7 177.9 -86.4 118.0 3.4 17.3 12.2 292 435 A T > + 0 0 8 -2,-0.5 3,-2.8 1,-0.2 -1,-0.1 0.095 32.3 131.2-117.2 25.3 5.6 15.4 14.7 293 436 A R T 3 S+ 0 0 135 1,-0.3 -1,-0.2 -8,-0.1 4,-0.1 0.788 76.6 54.6 -38.4 -38.4 6.2 17.8 17.5 294 437 A Y T 3 S+ 0 0 33 -206,-0.3 -203,-1.1 -3,-0.3 2,-0.3 0.321 91.8 87.4 -89.7 11.0 5.2 15.1 20.0 295 438 A F S < S- 0 0 14 -3,-2.8 2,-0.2 -205,-0.2 -281,-0.1 -0.835 89.9 -99.5-106.7 152.2 7.7 12.5 18.8 296 439 A D >> - 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