==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-07 2OID . COMPND 2 MOLECULE: INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.G.VILLASENOR,M.F.BROWNER . 1076 19 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 68 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 5 4 5 3 2 0 2 2 1 0 4 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 PARALLEL BRIDGES PER LADDER . 12 7 5 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 4 3 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 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 1 164 A R 0 0 247 0, 0.0 2,-0.7 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0-105.1 28.3 -14.9 -13.0 2 165 A F - 0 0 47 68,-0.0 2,-0.4 1,-0.0 68,-0.2 -0.786 360.0-145.3-109.8 111.8 25.0 -13.0 -13.3 3 166 A H E -a 70 0A 114 66,-2.1 68,-1.5 -2,-0.7 2,-0.6 -0.503 18.5-137.0 -69.8 120.9 21.6 -14.7 -13.9 4 167 A S E -a 71 0A 83 -2,-0.4 2,-0.3 66,-0.2 68,-0.2 -0.697 25.1-161.1 -83.1 116.1 19.3 -12.5 -16.1 5 168 A F - 0 0 31 66,-4.7 2,-0.3 -2,-0.6 3,-0.0 -0.732 15.9-131.3 -99.9 144.9 15.8 -12.5 -14.6 6 169 A S >> - 0 0 49 -2,-0.3 4,-1.4 1,-0.1 3,-1.2 -0.761 25.8-123.8 -84.4 145.3 12.5 -11.6 -16.2 7 170 A F H 3> S+ 0 0 101 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.831 106.8 62.3 -52.7 -39.0 10.4 -9.2 -14.0 8 171 A Y H 3> S+ 0 0 147 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.674 102.6 48.9 -68.0 -21.4 7.4 -11.7 -14.0 9 172 A E H <> S+ 0 0 57 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.911 111.9 49.9 -81.7 -44.1 9.4 -14.4 -12.2 10 173 A L H X S+ 0 0 4 -4,-1.4 4,-1.3 2,-0.2 7,-0.3 0.807 107.7 54.5 -53.1 -41.1 10.6 -11.8 -9.6 11 174 A K H <>S+ 0 0 74 -4,-2.0 5,-1.9 1,-0.2 6,-1.0 0.940 113.6 40.6 -63.7 -47.4 7.0 -10.6 -9.1 12 175 A N H ><5S+ 0 0 101 -4,-1.1 3,-1.0 3,-0.2 -2,-0.2 0.757 109.9 57.2 -76.3 -30.7 5.7 -14.1 -8.3 13 176 A V H 3<5S+ 0 0 27 -4,-2.1 28,-1.0 1,-0.2 -1,-0.2 0.816 105.6 52.4 -67.2 -32.8 8.8 -15.2 -6.2 14 177 A T T 3X5S- 0 0 0 -4,-1.3 4,-1.7 26,-0.2 -1,-0.2 0.057 127.2-101.1 -91.5 22.8 8.2 -12.2 -3.9 15 178 A N T <45S- 0 0 94 -3,-1.0 3,-0.3 2,-0.2 -3,-0.2 0.930 83.9 -48.0 50.0 52.3 4.5 -13.3 -3.4 16 179 A N T 4 > - 0 0 49 0, 0.0 5,-2.2 0, 0.0 3,-1.3 -0.198 29.6-124.6 -47.7 145.9 6.9 -7.1 6.8 22 185 A I G > 5S+ 0 0 41 6,-1.3 3,-1.3 1,-0.2 -2,-0.1 0.799 110.1 67.5 -67.3 -23.7 8.0 -10.8 6.8 23 186 A S G 3 5S+ 0 0 47 1,-0.3 -1,-0.2 5,-0.2 291,-0.1 0.632 102.4 45.9 -69.9 -14.9 7.3 -10.9 10.5 24 187 A V G < 5S- 0 0 49 -3,-1.3 -1,-0.3 285,-0.0 -2,-0.2 0.341 134.7 -85.3-109.7 -0.1 3.6 -10.5 9.7 25 188 A G T < 5S+ 0 0 31 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.409 95.6 103.8 109.8 4.9 3.6 -13.1 6.9 26 189 A G S -E 35 0B 59 3,-2.7 2,-1.7 -2,-0.3 3,-1.1 -0.693 51.7 -65.3-136.5-169.2 15.8 2.4 1.5 33 196 A G T 3 S+ 0 0 83 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.387 127.3 37.2 -84.2 57.9 16.4 5.5 -0.6 34 197 A F T 3 S- 0 0 145 -2,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.169 124.3 -42.6-176.0 -12.1 16.7 3.6 -3.9 35 198 A G E < -E 32 0B 21 -3,-1.1 -3,-2.7 15,-0.1 2,-0.4 -0.945 60.9 -72.7 159.9-179.2 14.1 0.9 -3.6 36 199 A V E -E 31 0B 35 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.3 -0.881 33.8-143.7-110.6 139.2 12.3 -1.8 -1.6 37 200 A V - 0 0 54 -7,-2.4 2,-0.3 -2,-0.4 13,-0.2 -0.914 20.4-173.9-109.5 118.8 13.9 -5.2 -0.7 38 201 A Y E -B 49 0A 9 11,-2.0 11,-2.4 -2,-0.6 2,-0.3 -0.861 27.6-113.9-116.0 146.8 11.6 -8.3 -0.7 39 202 A K E -B 48 0A 37 -12,-3.0 2,-0.3 -2,-0.3 9,-0.2 -0.578 38.0-167.3 -75.9 132.4 12.2 -11.9 0.3 40 203 A G E -B 47 0A 0 7,-1.8 7,-1.3 -2,-0.3 2,-0.5 -0.896 21.5-148.8-121.5 153.7 12.0 -14.3 -2.6 41 204 A Y E +B 46 0A 71 -28,-1.0 2,-0.5 -2,-0.3 5,-0.2 -0.920 23.2 175.4-121.6 104.2 11.8 -18.0 -2.9 42 205 A V E > S-B 45 0A 26 3,-1.4 3,-3.5 -2,-0.5 2,-0.7 -0.933 70.3 -46.7-116.0 111.9 13.5 -19.1 -6.2 43 206 A N T 3 S- 0 0 122 -2,-0.5 733,-0.1 1,-0.3 734,-0.1 -0.620 122.8 -38.8 56.3-109.4 13.7 -22.8 -6.7 44 207 A N T 3 S+ 0 0 74 -2,-0.7 2,-1.0 731,-0.3 -1,-0.3 0.167 118.1 110.8-119.3 16.4 14.9 -23.3 -3.1 45 208 A T E < -B 42 0A 38 -3,-3.5 -3,-1.4 730,-0.1 2,-0.3 -0.777 59.1-150.2 -99.2 93.9 17.1 -20.2 -3.0 46 209 A T E +B 41 0A 26 -2,-1.0 33,-0.8 248,-0.2 -5,-0.2 -0.497 30.4 178.1 -56.2 119.5 15.7 -17.5 -0.7 47 210 A V E -BC 40 78A 4 -7,-1.3 -7,-1.8 -2,-0.3 2,-0.4 -0.545 30.1-122.0-119.1-176.7 17.0 -14.3 -2.4 48 211 A A E -BC 39 77A 11 29,-1.5 29,-2.3 -9,-0.2 2,-0.5 -0.987 26.3-158.1-134.5 121.4 16.6 -10.6 -1.8 49 212 A V E +BC 38 76A 8 -11,-2.4 -11,-2.0 -2,-0.4 2,-0.2 -0.913 18.1 161.9-117.2 126.7 15.2 -8.5 -4.6 50 213 A K E C 0 75A 28 25,-2.5 25,-1.5 -2,-0.5 -13,-0.1 -0.748 360.0 360.0-126.4 169.8 15.7 -4.8 -5.1 51 214 A K 0 0 93 -2,-0.2 25,-0.1 23,-0.2 -14,-0.1 -0.506 360.0 360.0-105.4 360.0 15.2 -2.3 -8.0 52 ! 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 53 233 A E >> 0 0 74 0, 0.0 4,-2.3 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -61.4 28.1 -0.7 -10.2 54 234 A I H 3> + 0 0 59 1,-0.3 4,-1.2 2,-0.2 14,-0.1 0.816 360.0 52.4 -63.8 -33.5 27.4 -4.1 -11.6 55 235 A K H 3> S+ 0 0 177 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.715 106.9 54.5 -69.1 -24.9 31.0 -4.3 -12.9 56 236 A V H <> S+ 0 0 16 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.924 111.8 42.3 -70.9 -48.0 32.0 -3.4 -9.3 57 237 A M H < S+ 0 0 10 -4,-2.3 11,-0.2 1,-0.2 -2,-0.2 0.747 113.5 55.7 -65.4 -26.6 30.0 -6.4 -8.0 58 238 A A H < S+ 0 0 49 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.779 115.6 34.8 -79.0 -30.0 31.5 -8.3 -11.0 59 239 A K H < S+ 0 0 118 -4,-1.4 2,-0.8 -3,-0.2 -2,-0.2 0.679 111.3 69.2 -90.7 -21.7 35.1 -7.5 -10.0 60 240 A C < + 0 0 7 -4,-1.9 2,-0.5 -5,-0.1 -1,-0.2 -0.748 52.9 152.2-115.0 90.3 34.5 -7.7 -6.2 61 241 A Q + 0 0 78 -2,-0.8 2,-0.3 -3,-0.1 5,-0.1 -0.962 15.0 142.1-113.5 130.0 33.7 -11.0 -4.7 62 242 A H > - 0 0 19 -2,-0.5 3,-1.8 3,-0.3 620,-0.2 -0.977 60.0-111.6-163.9 149.8 34.6 -11.7 -1.1 63 243 A E T 3 S+ 0 0 45 618,-2.4 619,-0.1 -2,-0.3 4,-0.1 0.805 118.4 51.6 -61.9 -26.4 33.2 -13.5 1.9 64 244 A N T 3 S+ 0 0 9 617,-0.2 78,-2.9 77,-0.1 2,-0.4 0.110 100.4 75.1 -96.5 23.4 32.6 -10.1 3.6 65 245 A L B < S-f 142 0C 4 -3,-1.8 -3,-0.3 76,-0.3 78,-0.2 -0.992 90.1-108.0-130.7 134.5 30.8 -8.5 0.7 66 246 A V - 0 0 9 76,-2.7 2,-0.5 -2,-0.4 -2,-0.1 -0.428 37.1-124.6 -62.5 137.3 27.2 -9.3 -0.4 67 247 A E - 0 0 56 -2,-0.1 11,-2.6 -4,-0.1 2,-0.5 -0.741 9.9-139.6 -86.5 127.6 27.0 -11.3 -3.5 68 248 A L E + D 0 77A 4 -2,-0.5 9,-0.3 -11,-0.2 3,-0.1 -0.798 23.8 175.5 -78.3 122.7 25.1 -10.1 -6.5 69 249 A L E - 0 0 26 7,-2.5 -66,-2.1 -2,-0.5 2,-0.3 0.810 53.6 -36.6 -93.7 -40.9 23.3 -13.1 -8.0 70 250 A G E -aD 3 76A 0 6,-1.9 6,-4.3 -68,-0.2 -1,-0.3 -0.985 44.3-144.5-176.0 173.5 21.2 -11.5 -10.7 71 251 A F E a 4 0A 49 -68,-1.5 -66,-4.7 4,-0.3 4,-0.2 -0.903 360.0 360.0-146.4 169.7 19.0 -8.7 -12.2 72 252 A S 0 0 61 -2,-0.3 -65,-0.1 -68,-0.2 -66,-0.1 -0.606 360.0 360.0-102.1 360.0 16.0 -8.0 -14.5 73 ! 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 74 259 A C 0 0 71 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 0.000 360.0 360.0 360.0 161.3 17.8 -4.3 -11.5 75 260 A L E -C 50 0A 16 -25,-1.5 -25,-2.5 -4,-0.2 2,-0.4 -0.982 360.0-175.9-153.7 129.6 19.3 -6.4 -8.7 76 261 A V E -CD 49 70A 2 -6,-4.3 -7,-2.5 -2,-0.3 -6,-1.9 -0.983 22.9-174.1-123.0 136.6 19.1 -9.8 -7.0 77 262 A Y E -CD 48 68A 25 -29,-2.3 -29,-1.5 -2,-0.4 -9,-0.2 -0.832 37.5 -88.2-129.4 157.1 21.3 -10.6 -4.0 78 263 A V E -C 47 0A 41 -11,-2.6 2,-0.4 -2,-0.3 -31,-0.2 -0.503 58.3-116.3 -60.1 139.2 22.2 -13.4 -1.7 79 264 A Y - 0 0 47 -33,-0.8 -1,-0.1 -2,-0.1 -33,-0.1 -0.742 19.7-148.2 -92.7 130.2 19.7 -12.9 1.0 80 265 A M > - 0 0 12 -2,-0.4 3,-1.6 1,-0.1 54,-0.2 -0.849 6.2-163.1-105.4 100.2 21.0 -12.0 4.5 81 266 A P T 3 S+ 0 0 53 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.766 83.6 52.4 -51.9 -36.4 18.8 -13.6 7.2 82 267 A N T 3 S- 0 0 38 52,-1.9 53,-0.2 1,-0.3 2,-0.1 0.381 95.1-147.1 -97.1 7.2 19.9 -11.5 10.1 83 268 A G < - 0 0 25 -3,-1.6 51,-2.3 51,-0.4 -1,-0.3 -0.343 43.2 -16.5 74.1-144.2 19.5 -8.1 8.5 84 269 A S B > -G 133 0C 10 49,-0.2 4,-1.6 1,-0.1 49,-0.2 -0.596 51.1-122.7-100.2 158.3 21.7 -5.1 9.2 85 270 A L H > S+ 0 0 0 47,-2.7 4,-2.7 44,-1.2 5,-0.2 0.855 113.3 58.8 -60.3 -35.8 24.1 -4.3 11.9 86 271 A L H > S+ 0 0 45 43,-1.0 4,-1.9 46,-0.2 -1,-0.2 0.939 107.1 45.3 -61.5 -47.2 22.0 -1.2 12.7 87 272 A D H 4>S+ 0 0 51 1,-0.2 5,-3.1 2,-0.2 4,-0.4 0.804 114.4 47.9 -68.1 -31.8 18.8 -3.2 13.3 88 273 A R H <5S+ 0 0 23 -4,-1.6 10,-0.4 3,-0.2 -1,-0.2 0.828 110.5 51.1 -77.6 -35.6 20.6 -5.8 15.5 89 274 A L H <5S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.855 114.3 45.2 -62.4 -36.0 22.4 -3.1 17.5 90 275 A S T <5S- 0 0 53 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.602 109.0-129.0 -76.9 -17.6 18.9 -1.6 18.0 91 276 A C T > 5 - 0 0 0 -4,-0.4 3,-1.5 -3,-0.2 -3,-0.2 0.845 36.3-164.3 60.6 39.9 17.4 -5.1 18.8 92 277 A L G > < + 0 0 36 -5,-3.1 3,-0.9 1,-0.3 960,-0.2 -0.232 66.1 10.4 -56.4 135.7 14.7 -4.4 16.2 93 278 A D G 3 S- 0 0 69 958,-2.1 -1,-0.3 960,-0.3 961,-0.2 0.699 133.2 -66.2 65.2 19.9 11.7 -6.7 16.3 94 279 A G G < S+ 0 0 11 -3,-1.5 -1,-0.2 957,-0.4 -2,-0.2 0.711 82.3 162.8 78.6 25.1 12.9 -8.1 19.6 95 280 A T < - 0 0 18 -3,-0.9 -1,-0.2 -8,-0.2 322,-0.1 -0.394 48.6 -91.9 -71.4 148.2 16.1 -9.8 18.5 96 281 A P - 0 0 42 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 -0.383 47.4 -99.5 -62.3 139.2 18.7 -10.6 21.3 97 282 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 -8,-0.1 -0.200 44.8-104.1 -50.9 145.8 21.4 -8.0 21.9 98 283 A L - 0 0 10 -10,-0.4 131,-0.0 -3,-0.1 818,-0.0 -0.624 34.1-124.0 -76.8 132.2 24.6 -8.8 20.2 99 284 A S > - 0 0 48 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.322 18.6-116.4 -65.9 157.9 27.4 -10.1 22.5 100 285 A W H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.875 117.6 55.8 -59.2 -40.8 30.8 -8.4 22.7 101 286 A H H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.966 111.2 43.3 -57.2 -52.4 32.4 -11.6 21.4 102 287 A M H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.859 110.4 56.0 -61.4 -39.3 30.1 -11.5 18.4 103 288 A R H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.841 104.8 53.2 -65.0 -35.5 30.6 -7.7 18.0 104 289 A C H X S+ 0 0 8 -4,-2.4 4,-2.1 -3,-0.3 -1,-0.2 0.924 108.5 49.3 -62.1 -45.7 34.4 -8.2 17.7 105 290 A K H X S+ 0 0 106 -4,-1.6 4,-2.7 1,-0.2 35,-0.2 0.844 111.3 50.2 -59.9 -38.4 33.9 -10.8 14.9 106 291 A I H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.882 109.7 49.4 -71.1 -39.1 31.6 -8.4 13.0 107 292 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.898 113.5 47.8 -66.8 -38.7 34.0 -5.5 13.3 108 293 A Q H X S+ 0 0 21 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.925 112.8 47.6 -65.3 -48.6 36.8 -7.8 12.0 109 294 A G H X S+ 0 0 6 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.859 110.9 51.3 -62.2 -37.9 34.7 -9.1 9.2 110 295 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.896 111.3 47.7 -69.1 -37.0 33.6 -5.6 8.2 111 296 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.883 109.7 52.3 -70.0 -37.4 37.3 -4.4 8.1 112 297 A N H X S+ 0 0 40 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.873 110.6 51.3 -63.2 -35.2 38.3 -7.5 6.1 113 298 A G H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.931 112.4 42.0 -66.4 -50.8 35.5 -6.5 3.7 114 299 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.859 110.5 58.8 -64.6 -38.7 36.6 -2.9 3.3 115 300 A N H X S+ 0 0 11 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.965 104.3 50.6 -53.3 -54.5 40.2 -4.0 3.0 116 301 A F H X S+ 0 0 13 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.869 111.1 50.1 -50.8 -42.0 39.3 -6.2 0.0 117 302 A L H <>S+ 0 0 2 -4,-1.5 5,-2.8 2,-0.2 -1,-0.2 0.904 113.8 43.5 -64.4 -41.7 37.6 -3.1 -1.5 118 303 A H H ><5S+ 0 0 27 -4,-2.7 3,-2.4 3,-0.2 -2,-0.2 0.920 109.0 55.2 -74.2 -41.8 40.6 -0.8 -1.0 119 304 A E H 3<5S+ 0 0 94 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.880 111.3 48.7 -50.7 -37.7 43.2 -3.4 -2.1 120 305 A N T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.165 122.6-110.0 -93.2 11.7 41.1 -3.4 -5.3 121 306 A H T < 5 + 0 0 109 -3,-2.4 30,-3.9 1,-0.2 2,-0.3 0.814 69.6 136.9 65.5 39.0 41.0 0.4 -5.5 122 307 A H E < -I 150 0D 11 -5,-2.8 2,-0.5 28,-0.3 -1,-0.2 -0.862 42.1-153.4-114.8 152.4 37.4 1.0 -4.7 123 308 A I E -I 149 0D 6 26,-2.4 26,-2.2 -2,-0.3 56,-0.0 -0.997 2.4-162.8-120.6 123.3 35.8 3.6 -2.5 124 309 A H - 0 0 2 -2,-0.5 23,-0.2 24,-0.2 -1,-0.1 0.936 10.5-167.0 -73.1 -50.9 32.5 2.6 -1.0 125 310 A R S S+ 0 0 32 52,-0.1 38,-0.2 53,-0.1 -1,-0.1 0.316 73.6 60.2 80.1 -6.6 31.4 6.1 -0.1 126 311 A D + 0 0 19 36,-0.1 2,-0.5 18,-0.1 5,-0.1 -0.223 62.0 158.7-146.7 49.7 28.5 4.9 2.1 127 312 A I + 0 0 2 39,-0.1 2,-0.3 3,-0.1 36,-0.1 -0.676 23.0 128.0 -76.6 118.9 30.0 2.8 4.8 128 313 A K S > S- 0 0 40 -2,-0.5 3,-1.2 59,-0.1 -43,-0.1 -0.945 72.4 -93.9-163.2 168.0 27.6 2.7 7.8 129 314 A S G > S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 -44,-1.2 0.788 121.8 59.3 -67.5 -28.3 25.9 0.0 10.0 130 315 A A G 3 S+ 0 0 35 1,-0.3 -1,-0.3 -45,-0.2 -3,-0.1 0.749 104.7 53.4 -63.0 -24.1 22.8 -0.1 7.7 131 316 A N G < S+ 0 0 12 -3,-1.2 12,-2.7 1,-0.1 2,-0.5 0.125 92.0 84.4-101.2 17.3 25.2 -1.1 4.9 132 317 A I E < - H 0 142C 1 -3,-1.4 -47,-2.7 10,-0.2 -46,-0.2 -0.940 65.4-170.8-117.8 107.4 26.6 -4.0 7.0 133 318 A L E -GH 84 141C 43 8,-3.1 8,-2.8 -2,-0.5 2,-0.5 -0.528 12.5-139.9 -99.0 163.3 24.4 -7.0 6.6 134 319 A L E - H 0 140C 0 -51,-2.3 -52,-1.9 -54,-0.2 -51,-0.4 -0.980 10.3-150.3-131.3 122.5 24.6 -10.3 8.6 135 320 A D > - 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0 0 2 -2,-0.5 3,-1.7 -23,-0.2 4,-0.6 -0.983 63.5-119.5-162.4 143.0 39.2 9.1 -1.2 178 366 A P H >> S+ 0 0 38 0, 0.0 4,-1.5 0, 0.0 3,-0.8 0.786 107.5 78.5 -60.1 -22.9 39.2 5.7 0.6 179 367 A K H 3> S+ 0 0 53 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.818 86.5 56.7 -53.1 -37.1 40.3 7.8 3.6 180 368 A S H <> S+ 0 0 9 -3,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.884 101.3 56.6 -61.7 -38.6 36.6 8.8 4.1 181 369 A D H - 0 0 60 6,-1.5 3,-1.2 -2,-0.3 -4,-0.0 -0.922 20.0-157.1-143.0 115.8 19.3 10.6 17.4 201 389 A E T 3 S+ 0 0 136 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.791 93.5 51.4 -66.1 -31.3 17.5 13.9 17.3 202 390 A H T 3 S+ 0 0 64 4,-0.1 825,-1.0 3,-0.1 2,-0.3 -0.053 100.9 86.8 -95.9 29.7 16.1 13.6 20.9 203 391 A R B < S-L 1026 0G 29 -3,-1.2 823,-0.2 823,-0.2 3,-0.1 -0.818 80.5-105.5-125.1 161.8 19.6 12.9 22.3 204 392 A E S S+ 0 0 123 821,-1.3 2,-0.1 1,-0.3 -3,-0.1 -0.959 111.8 23.6-132.2 113.4 22.5 14.9 23.5 205 393 A P S S- 0 0 13 0, 0.0 -1,-0.3 0, 0.0 -5,-0.1 0.629 78.5-161.0 -80.2 163.9 24.7 14.9 21.6 206 394 A Q S S+ 0 0 101 1,-0.1 -6,-1.5 -2,-0.1 2,-0.6 0.832 79.9 64.3 -73.0 -30.0 22.7 14.2 18.4 207 395 A L B > S-K 199 0F 55 -8,-0.2 3,-2.4 1,-0.1 4,-0.2 -0.857 70.7-154.6-104.3 114.4 25.9 13.1 16.6 208 396 A L G > S+ 0 0 2 -10,-2.0 3,-2.1 -2,-0.6 4,-0.3 0.773 91.9 66.2 -56.6 -34.1 27.7 10.0 18.0 209 397 A L G > S+ 0 0 20 -11,-0.3 3,-1.0 -44,-0.3 4,-0.4 0.710 86.7 73.3 -64.9 -18.0 31.1 11.1 16.7 210 398 A D G X> S+ 0 0 74 -3,-2.4 4,-1.3 1,-0.2 3,-0.7 0.678 78.8 74.0 -68.8 -16.2 30.9 14.0 19.2 211 399 A I H <> S+ 0 0 4 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 0.800 81.0 71.4 -68.5 -26.2 31.6 11.6 22.1 212 400 A K H <> S+ 0 0 18 -3,-1.0 4,-2.8 -4,-0.3 -1,-0.2 0.891 102.7 42.8 -51.0 -42.0 35.2 11.4 21.0 213 401 A E H <> S+ 0 0 70 -3,-0.7 4,-2.7 -4,-0.4 6,-0.2 0.843 109.7 54.3 -80.2 -36.4 35.6 14.9 22.3 214 402 A E H <>S+ 0 0 41 -4,-1.3 5,-2.1 2,-0.2 6,-1.1 0.906 115.6 42.5 -56.9 -42.5 33.6 14.4 25.5 215 403 A I H ><5S+ 0 0 23 -4,-2.7 3,-1.7 3,-0.2 -2,-0.2 0.927 113.4 50.3 -70.3 -48.7 36.0 11.5 26.2 216 404 A E H 3<5S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.861 107.6 53.0 -59.4 -39.2 39.2 13.4 25.1 217 405 A D T 3<5S- 0 0 102 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.147 114.1-128.0 -77.9 20.9 38.2 16.4 27.3 218 406 A E T < 5S+ 0 0 178 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.670 76.3 125.4 29.3 34.3 38.0 13.6 29.9 219 407 A E S > - 0 0 52 -2,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.830 26.4-121.7-107.7 153.4 35.0 7.7 29.9 222 410 A I H >> S+ 0 0 12 -2,-0.3 4,-1.7 1,-0.3 3,-1.6 0.869 115.9 67.6 -59.4 -32.6 34.3 5.2 27.1 223 411 A E H 34 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.2 16,-0.0 0.815 93.5 56.3 -51.8 -36.4 33.1 3.1 30.0 224 412 A D H <4 S+ 0 0 77 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.718 112.9 41.9 -66.8 -22.8 30.2 5.5 30.5 225 413 A Y H << S+ 0 0 31 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.654 82.1 122.9-104.0 -20.4 29.2 4.9 26.9 226 414 A I S < S- 0 0 32 -4,-1.7 -32,-0.3 1,-0.1 2,-0.1 -0.112 77.5 -99.6 -44.7 129.5 29.7 1.1 26.7 227 415 A D - 0 0 9 -34,-3.0 3,-0.3 1,-0.2 -32,-0.1 -0.415 28.8-154.8 -54.2 123.6 26.5 -0.6 25.6 228 416 A K S S+ 0 0 143 -34,-0.3 687,-3.0 1,-0.2 688,-0.2 0.503 80.4 85.4 -79.7 -9.1 25.0 -2.0 28.9 229 417 A K S S+ 0 0 33 685,-0.2 2,-0.3 686,-0.2 -1,-0.2 -0.117 82.1 71.0 -85.6 36.3 23.1 -4.7 26.9 230 418 A M - 0 0 12 -3,-0.3 685,-0.4 -2,-0.2 686,-0.3 -0.971 51.1-173.0-141.0 152.2 26.2 -7.0 27.0 231 419 A N S S+ 0 0 110 -2,-0.3 685,-0.1 684,-0.3 -132,-0.1 0.318 80.2 64.3-125.2 8.7 27.8 -9.0 29.9 232 420 A D + 0 0 58 2,-0.1 2,-0.8 1,-0.0 -133,-0.0 0.065 67.5 118.1-116.8 25.1 30.9 -10.2 28.1 233 421 A A - 0 0 33 -133,-0.1 2,-0.2 4,-0.0 -3,-0.1 -0.799 47.3-158.9-102.2 103.3 32.7 -6.9 27.4 234 422 A D > - 0 0 82 -2,-0.8 4,-1.8 1,-0.1 5,-0.2 -0.503 23.6-123.7 -77.1 148.6 36.1 -6.6 29.1 235 423 A S H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.846 106.1 57.7 -54.5 -37.9 37.7 -3.1 29.6 236 424 A T H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 110.6 36.6 -68.3 -52.2 40.8 -4.1 27.7 237 425 A S H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.795 115.5 56.0 -73.5 -27.4 39.4 -5.1 24.3 238 426 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.953 111.7 43.1 -64.8 -47.1 36.7 -2.4 24.5 239 427 A E H X S+ 0 0 88 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.892 110.8 56.1 -65.3 -36.6 39.4 0.2 24.9 240 428 A A H X S+ 0 0 34 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.898 112.0 42.9 -58.7 -40.0 41.4 -1.5 22.2 241 429 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.900 113.0 51.1 -74.5 -43.7 38.4 -1.1 19.9 242 430 A Y H X S+ 0 0 26 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.919 105.9 56.2 -57.7 -45.0 37.7 2.5 20.9 243 431 A S H X S+ 0 0 54 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.937 108.7 47.0 -52.4 -48.1 41.3 3.4 20.3 244 432 A V H X S+ 0 0 4 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.910 112.3 50.6 -62.3 -43.5 41.0 2.1 16.7 245 433 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 3,-0.3 0.958 108.1 52.7 -53.9 -54.6 37.7 4.0 16.4 246 434 A S H < S+ 0 0 24 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.876 108.9 49.8 -50.4 -45.5 39.4 7.2 17.7 247 435 A Q H >< S+ 0 0 76 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.858 109.2 50.9 -62.6 -41.0 42.2 6.9 15.1 248 436 A C H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.813 106.4 57.7 -65.0 -32.4 39.8 6.4 12.2 249 437 A L T 3< + 0 0 2 -4,-1.8 -1,-0.2 -5,-0.2 2,-0.2 0.286 68.9 136.9 -88.6 12.0 37.9 9.6 13.4 250 438 A H < - 0 0 68 -3,-1.1 6,-0.2 1,-0.2 5,-0.1 -0.441 58.0-135.3 -59.5 123.1 40.9 11.9 13.1 251 439 A E S S+ 0 0 84 -2,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.625 89.3 74.2 -64.0 -11.5 39.3 15.0 11.5 252 440 A K S >> S- 0 0 126 1,-0.1 3,-2.6 -83,-0.1 4,-0.8 -0.900 79.3-143.0-108.3 112.7 42.4 15.2 9.1 253 441 A K T 34 S+ 0 0 38 -2,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.692 95.4 51.4 -48.5 -38.1 42.3 12.5 6.4 254 442 A N T 34 S+ 0 0 109 1,-0.2 -1,-0.3 0, 0.0 -4,-0.0 0.599 103.7 60.6 -81.2 -11.3 46.1 11.8 6.2 255 443 A K T <4 S+ 0 0 144 -3,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.754 84.9 92.9 -83.2 -30.1 46.3 11.2 10.0 256 444 A R S < S- 0 0 15 -4,-0.8 -8,-0.2 -3,-0.4 2,-0.1 -0.276 84.6-110.0 -59.2 149.4 43.8 8.3 10.0 257 445 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.402 33.2-113.2 -72.9 160.1 45.2 4.8 9.7 258 446 A D > - 0 0 102 -2,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.399 34.1 -96.7 -86.0 175.3 44.6 2.9 6.5 259 447 A I H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -144,-0.2 0.792 123.0 57.3 -67.3 -30.1 42.5 -0.3 6.4 260 448 A K H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 110.8 44.6 -64.8 -41.1 45.4 -2.6 6.6 261 449 A K H > S+ 0 0 72 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.953 112.1 50.9 -66.2 -49.9 46.4 -0.9 9.9 262 450 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.847 111.7 50.6 -52.7 -38.5 42.8 -0.9 11.2 263 451 A Q H X S+ 0 0 25 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.935 109.4 47.2 -68.2 -50.9 42.6 -4.6 10.4 264 452 A Q H X S+ 0 0 66 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.839 112.0 51.6 -64.5 -33.4 45.8 -5.6 12.2 265 453 A L H X S+ 0 0 37 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.893 109.9 48.6 -69.9 -37.7 44.7 -3.6 15.2 266 454 A L H < S+ 0 0 0 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.805 112.2 48.9 -73.1 -30.1 41.3 -5.3 15.4 267 455 A Q H >< S+ 0 0 92 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.891 110.9 50.6 -71.1 -39.6 42.9 -8.7 15.1 268 456 A E H 3< S+ 0 0 127 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.746 102.6 61.7 -65.7 -28.5 45.4 -7.8 17.9 269 457 A M T 3< 0 0 19 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.713 360.0 360.0 -68.0 -21.4 42.5 -6.7 20.0 270 458 A T < 0 0 109 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.876 360.0 360.0-108.2 360.0 41.2 -10.3 19.9 271 !* 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 0.0 272 164 B R 0 0 245 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -78.3 -6.5 -19.5 31.6 273 165 B F - 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0 0 67 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 -0.835 26.6-119.6-115.9 160.9 0.8 9.2 18.5 1045 410 D I G >> S+ 0 0 12 -2,-0.3 3,-1.3 1,-0.2 4,-0.6 0.814 116.4 64.8 -66.2 -26.3 1.3 6.4 21.0 1046 411 D E G 34 S+ 0 0 67 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.806 93.7 58.5 -63.4 -33.0 2.2 4.4 17.9 1047 412 D D G <4 S+ 0 0 99 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.663 110.3 46.1 -65.2 -15.9 5.2 6.7 17.5 1048 413 D Y T <4 S+ 0 0 33 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.489 76.4 124.5-113.8 -8.5 6.3 5.6 20.9 1049 414 D I S < S- 0 0 36 -4,-0.6 2,-0.4 -3,-0.5 -32,-0.3 -0.276 76.5 -98.3 -54.3 135.2 5.8 1.8 21.0 1050 415 D D > - 0 0 8 -34,-3.0 3,-0.6 -35,-0.2 -1,-0.1 -0.463 29.3-151.3 -55.0 115.6 9.0 -0.0 22.0 1051 416 D K T 3 S+ 0 0 149 -2,-0.4 -958,-2.1 -34,-0.3 -957,-0.4 0.543 82.9 84.6 -67.6 -8.2 10.5 -1.1 18.6 1052 417 D K T 3 S+ 0 0 38 -959,-0.2 2,-0.3 -960,-0.2 -1,-0.2 0.085 77.0 85.7 -86.1 27.8 12.2 -4.1 20.4 1053 418 D M < - 0 0 14 -3,-0.6 -960,-0.3 -132,-0.1 -959,-0.3 -0.943 50.7-170.2-123.4 149.5 9.0 -6.2 20.0 1054 419 D N S S+ 0 0 63 -2,-0.3 -740,-0.2 -961,-0.2 -1,-0.1 0.356 85.5 49.0-103.9 -0.4 7.6 -8.5 17.2 1055 420 D D + 0 0 9 -742,-0.1 -743,-0.3 2,-0.1 2,-0.2 0.193 69.7 122.5-136.3 13.1 4.1 -9.1 18.7 1056 421 D A - 0 0 19 -744,-0.2 2,-0.4 -745,-0.1 3,-0.0 -0.527 40.4-160.3 -75.9 148.7 2.5 -5.8 19.8 1057 422 D D > - 0 0 26 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.973 24.9-121.6-126.0 149.7 -0.8 -4.9 18.3 1058 423 D S H > S+ 0 0 55 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.791 105.8 55.6 -46.8 -44.4 -2.5 -1.5 18.1 1059 424 D T H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.957 112.3 37.7 -68.2 -51.5 -5.6 -2.5 20.0 1060 425 D S H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.844 117.3 52.7 -71.7 -29.8 -4.0 -3.9 23.2 1061 426 D V H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.943 112.2 44.7 -65.7 -48.3 -1.3 -1.2 23.2 1062 427 D E H X S+ 0 0 94 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.881 112.7 52.7 -62.1 -40.4 -4.0 1.6 22.9 1063 428 D A H X S+ 0 0 35 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.939 112.2 45.0 -59.7 -45.6 -6.0 -0.2 25.6 1064 429 D M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.944 113.1 50.5 -65.3 -42.9 -2.8 -0.2 27.8 1065 430 D Y H X S+ 0 0 25 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.830 105.2 57.5 -57.4 -36.3 -2.1 3.5 26.9 1066 431 D S H X S+ 0 0 60 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.897 108.8 45.5 -67.2 -39.7 -5.7 4.4 27.8 1067 432 D V H X S+ 0 0 3 -4,-1.6 4,-2.9 2,-0.2 3,-0.5 0.987 112.0 51.0 -60.4 -59.5 -5.2 3.0 31.3 1068 433 D A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.862 110.6 50.9 -43.1 -50.2 -1.8 4.7 31.7 1069 434 D S H < S+ 0 0 24 -4,-2.6 -1,-0.3 2,-0.2 -2,-0.2 0.873 110.1 47.2 -57.4 -45.5 -3.4 8.0 30.7 1070 435 D Q H >< S+ 0 0 60 -4,-1.8 3,-1.5 -3,-0.5 -2,-0.2 0.926 111.0 53.1 -65.4 -43.9 -6.3 7.7 33.2 1071 436 D C H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.826 106.0 54.9 -53.5 -36.5 -3.7 6.8 35.9 1072 437 D L T 3< + 0 0 2 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.3 0.133 69.3 136.5 -92.7 18.6 -1.8 9.9 35.1 1073 438 D H < - 0 0 55 -3,-1.5 6,-0.1 1,-0.2 -67,-0.1 -0.576 55.6-139.5 -63.8 120.2 -4.7 12.4 35.5 1074 439 D E S S+ 0 0 96 -2,-0.4 2,-0.8 4,-0.1 -81,-0.3 0.813 86.7 81.3 -57.1 -32.1 -2.9 15.1 37.4 1075 440 D K S > S- 0 0 134 1,-0.2 3,-1.5 -83,-0.1 4,-0.4 -0.677 78.4-146.8 -78.4 107.6 -6.0 15.5 39.6 1076 441 D K G > S+ 0 0 36 -2,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.748 96.3 51.1 -44.2 -34.3 -5.7 12.7 42.3 1077 442 D N G 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.1 0.775 100.6 60.3 -79.7 -30.5 -9.5 12.3 42.4 1078 443 D K G < S+ 0 0 136 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.393 87.1 99.7 -79.6 1.9 -10.0 12.0 38.6 1079 444 D R S < S- 0 0 17 -3,-0.6 -8,-0.2 -4,-0.4 -9,-0.1 -0.602 79.9-112.1 -83.2 148.9 -7.8 8.9 38.5 1080 445 D P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.374 32.4-116.3 -67.8 157.4 -9.3 5.3 38.5 1081 446 D D >> - 0 0 108 1,-0.1 4,-2.6 -2,-0.1 3,-0.5 -0.467 33.6 -97.5 -87.3 173.9 -8.8 3.2 41.6 1082 447 D I H 3> S+ 0 0 8 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.882 123.7 58.3 -62.8 -37.5 -6.8 -0.0 41.4 1083 448 D K H 3> S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.874 110.9 43.2 -55.5 -42.1 -9.9 -2.2 41.0 1084 449 D K H <> S+ 0 0 92 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.947 115.0 49.4 -66.7 -48.7 -10.8 -0.2 37.9 1085 450 D V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.874 111.7 49.0 -55.8 -44.2 -7.1 -0.3 36.7 1086 451 D Q H X S+ 0 0 22 -4,-3.6 4,-1.6 2,-0.2 -1,-0.2 0.877 111.6 50.3 -62.5 -42.0 -7.1 -4.1 37.3 1087 452 D Q H X S+ 0 0 88 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.905 109.7 47.5 -66.5 -48.7 -10.3 -4.5 35.4 1088 453 D L H X S+ 0 0 34 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.829 111.5 52.3 -64.1 -33.1 -9.2 -2.5 32.3 1089 454 D L H < S+ 0 0 0 -4,-1.6 4,-0.4 -5,-0.3 -2,-0.2 0.824 109.8 50.0 -72.1 -32.0 -6.0 -4.5 32.3 1090 455 D Q H >X S+ 0 0 103 -4,-1.6 3,-1.4 2,-0.2 4,-0.6 0.934 110.2 48.9 -61.6 -51.9 -8.0 -7.7 32.4 1091 456 D E H >< S+ 0 0 99 -4,-2.4 3,-0.7 1,-0.3 -2,-0.2 0.824 98.1 69.6 -63.1 -36.0 -10.3 -6.6 29.5 1092 457 D M T 3< S+ 0 0 24 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.775 112.4 30.2 -47.5 -32.9 -7.2 -5.7 27.4 1093 458 D T T <4 0 0 73 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.382 360.0 360.0-118.2 -0.6 -6.4 -9.5 27.1 1094 459 D A << 0 0 115 -3,-0.7 -2,-0.1 -4,-0.6 -3,-0.1 0.981 360.0 360.0 -70.4 360.0 -9.9 -11.0 27.3