==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-09 3H68 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN PHOSPHATASE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.FRAGAI,C.LUCHINAT,E.TALLURI . 630 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 6 1.0 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 . 32 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 0 2 1 3 2 0 1 5 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 4 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 . 3 0 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 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 1 176 A Y 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.9 0.6 -19.2 -24.8 2 177 A S + 0 0 110 2,-0.0 3,-0.1 3,-0.0 0, 0.0 0.236 360.0 108.2-115.2 12.2 0.5 -15.7 -26.2 3 178 A G S S- 0 0 11 1,-0.2 16,-0.1 25,-0.1 26,-0.1 0.038 78.1 -44.4 -83.7-170.6 3.4 -15.9 -28.6 4 179 A P - 0 0 2 0, 0.0 26,-0.4 0, 0.0 2,-0.3 -0.269 55.7-172.1 -56.7 135.7 3.9 -16.1 -32.4 5 180 A K - 0 0 93 -3,-0.1 13,-0.1 24,-0.1 2,-0.1 -0.974 25.7-111.0-130.5 144.9 1.5 -18.5 -34.2 6 181 A L - 0 0 21 -2,-0.3 2,-0.7 5,-0.1 3,-0.4 -0.393 30.5-121.4 -68.5 152.2 1.6 -19.6 -37.9 7 182 A E B > S-A 10 0A 86 3,-2.1 3,-1.4 1,-0.3 -1,-0.1 -0.878 91.1 -16.0 -99.7 117.5 -1.3 -18.4 -40.1 8 183 A D T 3 S- 0 0 173 -2,-0.7 -1,-0.3 1,-0.3 3,-0.1 0.913 129.0 -58.7 51.5 42.9 -3.2 -21.4 -41.6 9 184 A G T 3 S+ 0 0 28 -3,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.580 117.3 103.1 69.0 13.1 -0.1 -23.4 -40.6 10 185 A K B < S-A 7 0A 103 -3,-1.4 -3,-2.1 -5,-0.1 -1,-0.2 -0.927 73.8-104.2-130.2 153.8 2.3 -21.4 -42.7 11 186 A V + 0 0 4 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.441 38.5 178.0 -70.4 142.2 5.0 -18.7 -42.1 12 187 A T > - 0 0 15 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.897 43.9-105.2-136.2 167.4 4.1 -15.1 -43.1 13 188 A I H > S+ 0 0 64 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.915 121.6 54.9 -64.4 -36.1 6.1 -11.9 -42.8 14 189 A S H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 108.1 49.5 -63.5 -41.5 3.9 -10.8 -39.8 15 190 A F H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 109.5 51.5 -60.9 -44.2 4.8 -14.1 -38.0 16 191 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.915 110.1 49.1 -61.7 -38.7 8.5 -13.5 -38.7 17 192 A K H X S+ 0 0 115 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.937 112.7 47.2 -65.5 -44.1 8.4 -10.0 -37.3 18 193 A E H X S+ 0 0 108 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.899 111.7 52.2 -62.4 -40.0 6.6 -11.3 -34.2 19 194 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.916 106.6 51.4 -63.3 -47.7 9.1 -14.1 -33.8 20 195 A M H X S+ 0 0 22 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.930 114.1 44.5 -58.3 -42.0 12.1 -11.8 -34.0 21 196 A Q H X S+ 0 0 100 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.938 111.6 52.4 -68.3 -42.8 10.7 -9.7 -31.2 22 197 A W H <>S+ 0 0 45 -4,-2.6 5,-2.5 1,-0.2 -2,-0.2 0.934 115.0 43.6 -56.1 -47.3 9.6 -12.7 -29.1 23 198 A Y H ><5S+ 0 0 2 -4,-3.0 3,-2.1 3,-0.2 -1,-0.2 0.882 107.3 57.2 -68.0 -40.7 13.1 -14.0 -29.4 24 199 A K H 3<5S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.912 107.3 51.9 -53.4 -40.7 14.8 -10.5 -28.7 25 200 A D T 3<5S- 0 0 84 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.329 122.7-110.3 -81.9 8.1 12.8 -10.6 -25.5 26 201 A Q T < 5 + 0 0 112 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.766 69.3 142.9 69.8 30.1 14.2 -14.0 -24.6 27 202 A K < - 0 0 98 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.558 46.3-117.8 -99.6 166.9 10.9 -15.9 -25.1 28 203 A K - 0 0 108 -2,-0.2 2,-0.3 119,-0.0 -25,-0.1 -0.863 16.8-124.5-112.5 132.0 10.3 -19.4 -26.6 29 204 A L - 0 0 1 -2,-0.4 5,-0.1 1,-0.1 -24,-0.1 -0.537 46.3 -93.8 -68.8 134.1 8.4 -20.4 -29.6 30 205 A H >> - 0 0 47 -26,-0.4 4,-2.6 -2,-0.3 3,-1.1 -0.223 30.8-123.1 -49.7 134.6 5.7 -23.0 -28.8 31 206 A R H 3> S+ 0 0 146 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.793 111.9 57.2 -48.5 -34.2 7.1 -26.5 -29.4 32 207 A K H 3> S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.876 108.3 44.4 -70.8 -37.0 4.2 -27.1 -31.8 33 208 A C H <> S+ 0 0 1 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.900 113.4 51.2 -70.0 -43.1 5.1 -24.1 -34.0 34 209 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.931 110.5 50.0 -59.9 -44.4 8.8 -25.1 -33.9 35 210 A Y H X S+ 0 0 129 -4,-2.7 4,-2.7 -5,-0.3 5,-0.3 0.952 108.9 51.5 -56.9 -49.4 7.8 -28.6 -35.0 36 211 A Q H X S+ 0 0 67 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.906 110.7 48.1 -58.6 -41.2 5.8 -27.3 -37.9 37 212 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.946 111.6 50.5 -65.4 -45.7 8.6 -25.2 -39.2 38 213 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.946 112.7 44.9 -57.8 -49.1 11.1 -28.1 -38.9 39 214 A V H X S+ 0 0 50 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.928 116.4 46.6 -62.0 -41.6 8.8 -30.5 -40.8 40 215 A Q H X S+ 0 0 64 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.905 112.5 47.6 -69.1 -40.0 8.0 -28.0 -43.5 41 216 A V H X S+ 0 0 0 -4,-2.9 4,-3.4 -5,-0.2 5,-0.3 0.876 106.8 58.7 -73.3 -25.7 11.6 -26.8 -44.0 42 217 A K H X S+ 0 0 72 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.946 106.8 49.0 -63.6 -43.5 12.8 -30.4 -44.2 43 218 A E H X S+ 0 0 118 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.919 113.3 45.8 -61.9 -46.2 10.4 -30.9 -47.1 44 219 A V H >< S+ 0 0 43 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.951 115.9 44.9 -61.1 -49.7 11.6 -27.8 -48.9 45 220 A L H >< S+ 0 0 0 -4,-3.4 3,-2.0 1,-0.2 -2,-0.2 0.892 104.5 62.2 -64.3 -36.7 15.3 -28.6 -48.3 46 221 A S H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.660 100.1 56.3 -69.2 -12.6 15.0 -32.3 -49.4 47 222 A K T << S+ 0 0 156 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.543 90.2 96.1 -90.4 -10.9 13.9 -31.1 -52.8 48 223 A L S < S- 0 0 56 -3,-2.0 2,-0.1 -4,-0.3 4,-0.1 -0.483 78.3-111.9 -85.2 150.0 17.0 -29.0 -53.5 49 224 A S - 0 0 47 2,-0.2 -1,-0.1 -2,-0.1 144,-0.1 -0.420 27.2-117.0 -65.4 153.9 20.1 -30.1 -55.4 50 225 A T S S+ 0 0 5 142,-0.7 115,-1.9 1,-0.2 116,-1.6 0.798 114.4 50.4 -56.9 -33.9 23.3 -30.5 -53.3 51 226 A L E S-b 166 0B 1 114,-0.2 2,-0.4 141,-0.2 116,-0.2 -0.973 85.9-152.2-106.4 107.5 24.6 -27.7 -55.5 52 227 A V E -b 167 0B 22 114,-2.6 116,-2.8 -2,-0.6 2,-0.5 -0.726 9.6-156.5 -80.1 129.0 22.0 -24.8 -55.5 53 228 A E E -b 168 0B 109 -2,-0.4 2,-0.4 114,-0.2 116,-0.2 -0.948 14.4-177.8-115.3 117.1 22.4 -22.9 -58.8 54 229 A T E -b 169 0B 22 114,-2.6 116,-2.8 -2,-0.5 2,-0.5 -0.924 16.6-151.9-120.1 135.3 21.1 -19.3 -58.8 55 230 A T - 0 0 115 -2,-0.4 2,-0.6 114,-0.2 236,-0.1 -0.898 6.9-159.9-106.4 132.9 20.9 -16.7 -61.5 56 231 A L - 0 0 9 -2,-0.5 6,-0.1 235,-0.1 234,-0.0 -0.963 15.6-140.1-109.8 118.6 21.2 -13.1 -60.6 57 232 A K > - 0 0 131 -2,-0.6 3,-2.2 1,-0.1 234,-0.7 -0.309 33.6 -97.3 -73.7 166.8 19.7 -10.7 -63.2 58 233 A E T 3 S+ 0 0 149 1,-0.3 234,-0.9 233,-0.3 -1,-0.1 0.761 124.6 47.5 -65.0 -19.3 21.6 -7.6 -63.9 59 234 A T T 3 S+ 0 0 131 232,-0.2 -1,-0.3 231,-0.1 2,-0.2 0.525 98.9 93.9 -91.5 -5.1 19.4 -5.5 -61.6 60 235 A E < - 0 0 74 -3,-2.2 231,-2.6 29,-0.0 232,-0.3 -0.517 51.7-167.8 -97.8 153.9 19.5 -8.0 -58.7 61 236 A K E -G 290 0C 56 27,-0.3 2,-0.3 229,-0.2 229,-0.2 -0.839 2.9-161.8-129.7 167.2 21.7 -8.2 -55.7 62 237 A I E -G 289 0C 2 227,-1.9 227,-2.3 -2,-0.3 2,-0.5 -0.979 12.6-139.3-149.4 147.5 22.4 -10.9 -53.1 63 238 A T E -Gh 288 91C 0 27,-2.0 29,-2.5 -2,-0.3 2,-0.5 -0.949 13.7-159.9-111.2 129.2 23.9 -10.7 -49.6 64 239 A V E -Gh 287 92C 0 223,-2.5 223,-2.7 -2,-0.5 2,-0.4 -0.940 10.1-176.0-113.0 119.4 26.3 -13.5 -48.4 65 240 A C E -Gh 286 93C 0 27,-3.1 29,-3.1 -2,-0.5 221,-0.1 -0.905 9.3-152.2-111.0 150.4 26.9 -14.0 -44.7 66 241 A G - 0 0 0 219,-0.6 205,-0.2 -2,-0.4 29,-0.1 0.060 56.3 -13.4 -98.5-144.8 29.4 -16.4 -43.1 67 242 A D + 0 0 5 203,-0.5 205,-1.0 27,-0.2 -1,-0.3 -0.140 48.2 173.6 -62.6 144.6 29.2 -18.1 -39.7 68 243 A T > - 0 0 4 28,-2.1 3,-1.9 27,-0.4 29,-0.2 0.552 17.3-163.7-119.8 -27.5 26.7 -16.8 -37.1 69 244 A H T 3 - 0 0 4 27,-2.7 32,-0.9 1,-0.3 29,-0.3 0.792 68.2 -52.1 42.5 53.9 27.1 -19.3 -34.4 70 245 A G T 3 S+ 0 0 0 27,-2.6 33,-1.6 34,-0.2 2,-1.4 0.679 92.8 141.0 69.9 15.8 24.0 -18.7 -32.3 71 246 A Q X> + 0 0 19 -3,-1.9 4,-2.0 1,-0.2 3,-0.9 -0.528 20.1 168.5 -89.8 67.4 24.7 -14.9 -32.0 72 247 A F H 3> + 0 0 0 -2,-1.4 4,-2.4 1,-0.3 -1,-0.2 0.802 69.8 54.5 -53.0 -39.0 21.0 -14.0 -32.5 73 248 A Y H 3> S+ 0 0 20 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.855 109.8 47.7 -71.4 -32.0 21.4 -10.4 -31.4 74 249 A D H <> S+ 0 0 5 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.840 107.9 56.5 -72.6 -34.0 24.1 -9.9 -34.1 75 250 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.935 106.5 49.5 -58.8 -46.1 21.8 -11.6 -36.6 76 251 A L H X S+ 0 0 12 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.925 108.5 54.3 -58.6 -40.7 19.1 -9.0 -35.8 77 252 A N H X S+ 0 0 22 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.923 103.6 54.0 -62.9 -44.3 21.8 -6.4 -36.3 78 253 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.951 110.1 48.3 -52.1 -47.9 22.6 -7.7 -39.8 79 254 A F H X S+ 0 0 7 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.821 112.9 48.1 -65.0 -32.1 18.9 -7.4 -40.7 80 255 A E H < S+ 0 0 126 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.856 116.8 42.1 -72.3 -37.7 18.7 -3.9 -39.4 81 256 A L H < S+ 0 0 86 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.837 131.1 23.8 -72.1 -37.4 21.8 -2.8 -41.2 82 257 A N H < S- 0 0 21 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.392 112.4-106.2-117.1 -1.4 21.1 -4.6 -44.5 83 258 A G < - 0 0 30 -4,-1.3 -1,-0.2 -5,-0.3 -3,-0.1 0.119 44.2 -61.3 90.8 154.2 17.3 -4.9 -44.5 84 259 A L - 0 0 59 -4,-0.1 5,-0.0 1,-0.1 -4,-0.0 -0.374 64.3 -93.6 -64.5 150.7 15.0 -7.9 -43.9 85 260 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.329 62.3 149.6 -57.3 150.4 15.2 -10.7 -46.4 86 261 A S B > -K 89 0D 21 3,-0.8 3,-0.8 35,-0.3 32,-0.1 -0.941 64.6 -82.5-168.3 174.4 12.7 -10.4 -49.2 87 262 A E T 3 S+ 0 0 116 -2,-0.3 31,-0.0 1,-0.3 35,-0.0 0.710 134.6 39.6 -61.7 -18.2 12.3 -11.3 -52.9 88 263 A T T 3 S+ 0 0 119 1,-0.2 -27,-0.3 -28,-0.1 -1,-0.3 0.451 118.0 48.3-109.2 -3.7 14.3 -8.1 -53.6 89 264 A N B < S-K 86 0D 20 -3,-0.8 -3,-0.8 -29,-0.1 -1,-0.2 -0.519 79.5-177.2-133.7 71.7 16.8 -8.6 -50.8 90 265 A P - 0 0 8 0, 0.0 -27,-2.0 0, 0.0 2,-0.3 -0.269 6.0-158.5 -76.3 153.1 18.0 -12.2 -51.0 91 266 A Y E -hi 63 122C 0 30,-1.9 32,-2.6 -29,-0.2 2,-0.4 -0.949 14.8-162.0-128.9 150.7 20.4 -13.8 -48.5 92 267 A I E -hi 64 123C 0 -29,-2.5 -27,-3.1 -2,-0.3 2,-0.6 -0.992 9.6-162.0-124.7 120.6 22.8 -16.7 -48.4 93 268 A F E -hi 65 124C 0 30,-2.9 32,-2.2 -2,-0.4 2,-1.3 -0.945 12.8-147.6-103.6 121.3 23.9 -17.8 -45.0 94 269 A N E - 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0 0 0 38,-3.0 51,-0.5 -2,-0.4 2,-0.2 -0.398 33.2-164.3 -69.0 142.2 25.4 -26.6 -44.4 127 302 A G > - 0 0 0 50,-0.1 3,-1.3 -2,-0.1 -32,-0.1 -0.646 39.9 -97.2-111.6 178.1 28.4 -25.9 -42.2 128 303 A N T 3 S+ 0 0 3 82,-0.5 6,-0.3 1,-0.3 3,-0.1 0.764 123.9 58.3 -72.2 -18.3 30.6 -28.3 -40.2 129 304 A H T 3 S+ 0 0 3 1,-0.2 2,-1.6 5,-0.1 -1,-0.3 0.599 81.4 82.2 -85.1 -10.5 28.5 -27.4 -37.2 130 305 A E S < S+ 0 0 0 -3,-1.3 2,-0.3 30,-0.1 -1,-0.2 -0.348 82.7 91.8 -84.6 54.6 25.2 -28.5 -38.8 131 306 A T S > S- 0 0 5 -2,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.970 83.8-116.6-147.1 158.3 26.1 -32.1 -37.8 132 307 A D H > S+ 0 0 39 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.923 108.1 53.5 -67.3 -52.0 25.6 -34.4 -34.8 133 308 A N H > S+ 0 0 127 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.916 114.9 43.0 -45.9 -48.8 29.2 -34.9 -33.5 134 309 A M H >> S+ 0 0 21 -6,-0.3 4,-2.7 1,-0.2 3,-0.8 0.923 112.3 50.4 -71.9 -44.0 29.6 -31.2 -33.4 135 310 A N H 3X S+ 0 0 0 -4,-2.1 6,-1.9 1,-0.3 4,-0.7 0.794 103.9 60.0 -65.9 -28.8 26.2 -30.3 -31.8 136 311 A Q H 3< S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.833 118.9 28.7 -67.8 -28.7 26.7 -32.9 -29.0 137 312 A I H << S+ 0 0 101 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.828 116.8 51.4 -96.2 -46.3 29.9 -31.1 -27.9 138 313 A Y H < S- 0 0 73 -4,-2.7 -38,-3.0 177,-0.1 177,-0.2 0.226 112.6 -91.7-100.0 13.4 29.6 -27.4 -28.8 139 314 A G S X S+ 0 0 7 -4,-0.7 4,-2.9 175,-0.3 5,-0.2 -0.038 96.8 98.3 120.7 -30.1 26.2 -26.5 -27.3 140 315 A F H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 89.7 46.0 -63.7 -44.3 23.4 -26.8 -29.8 141 316 A E H > S+ 0 0 23 -6,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.928 115.8 48.6 -61.5 -42.9 22.2 -30.3 -28.6 142 317 A G H > S+ 0 0 25 -7,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.897 112.0 49.0 -62.6 -41.4 22.4 -29.0 -25.0 143 318 A E H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.933 112.0 47.3 -67.6 -44.4 20.5 -25.9 -25.9 144 319 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.909 111.8 50.5 -62.5 -41.3 17.7 -27.8 -27.7 145 320 A K H < S+ 0 0 101 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.875 112.6 48.2 -65.4 -34.5 17.4 -30.3 -24.8 146 321 A A H < S+ 0 0 65 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.899 122.1 32.2 -73.0 -38.1 17.1 -27.4 -22.4 147 322 A K H < S- 0 0 31 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.772 139.6 -6.4 -93.5 -27.3 14.5 -25.5 -24.4 148 323 A Y S < S- 0 0 28 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.1 0.083 95.5 -68.9-131.5-116.9 12.6 -28.4 -25.9 149 324 A T > - 0 0 73 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.916 35.3-102.0-145.7 168.6 13.4 -32.1 -25.9 150 325 A A H > S+ 0 0 46 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.886 124.6 58.6 -56.3 -38.5 15.9 -34.8 -27.1 151 326 A Q H > S+ 0 0 158 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 103.2 48.7 -59.7 -44.5 13.1 -35.5 -29.6 152 327 A M H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 109.8 54.2 -60.2 -44.9 13.2 -31.9 -31.0 153 328 A Y H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.900 104.5 53.1 -55.7 -41.2 16.9 -32.2 -31.2 154 329 A E H X S+ 0 0 92 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.873 108.3 51.7 -63.0 -36.8 16.6 -35.4 -33.4 155 330 A L H X S+ 0 0 20 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.932 107.7 50.8 -66.8 -46.9 14.3 -33.5 -35.7 156 331 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.913 108.8 53.3 -51.1 -45.4 16.9 -30.7 -36.1 157 332 A S H X S+ 0 0 5 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.914 108.5 49.3 -61.1 -42.3 19.6 -33.2 -36.9 158 333 A E H < S+ 0 0 88 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.885 111.1 48.8 -64.5 -41.6 17.4 -34.7 -39.6 159 334 A V H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 4,-0.5 0.929 105.5 58.0 -64.2 -45.1 16.7 -31.3 -41.2 160 335 A F H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.833 96.2 64.6 -52.6 -34.0 20.4 -30.4 -41.1 161 336 A E T 3< S+ 0 0 44 -4,-1.2 37,-0.4 1,-0.3 -1,-0.3 0.693 99.7 53.5 -65.5 -22.7 21.2 -33.5 -43.3 162 337 A W T < S+ 0 0 56 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.509 78.3 116.5 -91.0 -6.9 19.1 -31.9 -46.1 163 338 A L S < S- 0 0 0 -3,-1.4 -38,-0.1 -4,-0.5 -121,-0.0 -0.379 73.2-113.8 -58.5 132.0 21.0 -28.6 -46.2 164 339 A P - 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