==== 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 3H63 . 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) . 25773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 66.0 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 . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 27.1 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 0 2 4 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 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.0 -0.3 -19.2 25.2 2 177 A S + 0 0 109 2,-0.0 3,-0.1 3,-0.0 0, 0.0 0.034 360.0 107.1-123.1 23.5 -0.1 -15.7 26.7 3 178 A G S S- 0 0 9 1,-0.2 16,-0.1 25,-0.1 26,-0.1 -0.134 79.2 -41.3 -92.4-169.0 -3.1 -15.8 29.0 4 179 A P - 0 0 2 0, 0.0 26,-0.4 0, 0.0 2,-0.4 -0.213 56.9-168.7 -56.2 137.2 -3.6 -16.1 32.8 5 180 A K - 0 0 94 -3,-0.1 13,-0.1 24,-0.1 5,-0.1 -0.990 23.6-113.7-131.2 139.3 -1.2 -18.4 34.6 6 181 A L - 0 0 28 -2,-0.4 2,-0.6 3,-0.1 3,-0.2 -0.305 30.8-122.5 -62.2 155.4 -1.3 -19.7 38.2 7 182 A E B > S-A 10 0A 90 3,-2.3 3,-1.7 1,-0.2 -1,-0.1 -0.922 88.8 -17.3-106.7 116.7 1.5 -18.5 40.4 8 183 A D T 3 S- 0 0 171 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.878 129.1 -57.5 52.3 38.0 3.4 -21.4 42.0 9 184 A G T 3 S+ 0 0 36 -3,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.555 117.8 103.0 76.2 10.0 0.4 -23.5 41.0 10 185 A K B < S-A 7 0A 142 -3,-1.7 -3,-2.3 -5,-0.1 -1,-0.2 -0.891 73.6-103.7-130.1 155.8 -2.1 -21.4 43.0 11 186 A V + 0 0 17 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.496 38.4 178.3 -72.4 140.2 -4.7 -18.8 42.5 12 187 A T > - 0 0 32 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.893 43.7-105.4-132.3 166.4 -3.9 -15.2 43.4 13 188 A I H > S+ 0 0 66 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.915 121.7 53.3 -62.2 -38.7 -5.8 -11.9 43.2 14 189 A S H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 108.0 51.0 -63.2 -40.1 -3.7 -10.9 40.2 15 190 A F H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.931 109.6 50.7 -59.0 -43.6 -4.6 -14.2 38.4 16 191 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.907 110.3 48.5 -65.0 -38.6 -8.3 -13.6 39.1 17 192 A K H X S+ 0 0 115 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.923 113.5 47.2 -65.9 -41.0 -8.1 -10.1 37.7 18 193 A E H X S+ 0 0 111 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.916 111.7 52.0 -63.6 -42.2 -6.3 -11.4 34.6 19 194 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.924 107.1 50.8 -61.2 -46.2 -8.8 -14.2 34.3 20 195 A M H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.908 114.1 44.8 -61.8 -38.7 -11.9 -12.0 34.4 21 196 A Q H X S+ 0 0 99 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 111.4 52.7 -69.2 -43.4 -10.4 -9.7 31.7 22 197 A W H <>S+ 0 0 44 -4,-2.8 5,-2.4 1,-0.2 -2,-0.2 0.924 114.1 43.6 -56.7 -47.3 -9.3 -12.7 29.6 23 198 A Y H ><5S+ 0 0 1 -4,-2.8 3,-2.1 3,-0.2 -1,-0.2 0.869 107.5 57.6 -66.6 -40.6 -12.9 -14.1 29.8 24 199 A K H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.922 106.5 52.0 -54.9 -40.2 -14.5 -10.7 29.1 25 200 A D T 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.231 122.3-110.4 -82.4 13.5 -12.5 -10.7 25.9 26 201 A Q T < 5S+ 0 0 114 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.750 70.4 140.6 65.2 30.8 -13.8 -14.1 25.0 27 202 A K < - 0 0 94 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.567 47.9-116.7-102.2 167.7 -10.6 -16.0 25.5 28 203 A K - 0 0 107 -2,-0.2 2,-0.2 119,-0.0 -25,-0.1 -0.856 16.5-124.4-111.5 135.0 -10.0 -19.5 27.0 29 204 A L - 0 0 1 -2,-0.4 5,-0.1 1,-0.1 -24,-0.1 -0.561 46.5 -95.6 -70.7 135.9 -8.0 -20.4 30.1 30 205 A H >> - 0 0 48 -26,-0.4 4,-2.3 -2,-0.2 3,-0.8 -0.261 30.9-122.0 -54.1 139.8 -5.4 -23.0 29.3 31 206 A R H 3> S+ 0 0 149 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.789 110.8 57.6 -53.9 -34.3 -6.6 -26.5 30.0 32 207 A K H 3> S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.894 108.9 44.9 -67.1 -36.6 -3.8 -27.2 32.4 33 208 A C H <> S+ 0 0 9 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.901 112.7 50.9 -71.3 -41.7 -4.8 -24.2 34.6 34 209 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.937 110.2 50.9 -59.1 -46.3 -8.5 -25.2 34.4 35 210 A Y H X S+ 0 0 118 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.917 108.8 50.8 -57.4 -45.9 -7.6 -28.7 35.5 36 211 A Q H X S+ 0 0 72 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.904 109.4 50.5 -60.1 -43.4 -5.5 -27.3 38.4 37 212 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.941 112.1 48.1 -59.7 -45.3 -8.4 -25.2 39.6 38 213 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 112.7 45.9 -66.0 -44.0 -10.8 -28.1 39.4 39 214 A V H X S+ 0 0 39 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.924 116.1 46.4 -66.0 -39.2 -8.5 -30.6 41.3 40 215 A Q H X S+ 0 0 48 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.912 112.9 48.0 -69.6 -39.3 -7.7 -28.0 44.0 41 216 A V H X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.2 5,-0.3 0.877 107.0 57.5 -73.5 -30.1 -11.4 -26.9 44.5 42 217 A K H X S+ 0 0 53 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.938 107.3 48.7 -58.7 -46.0 -12.5 -30.5 44.7 43 218 A E H X S+ 0 0 108 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.949 113.4 46.6 -59.4 -48.0 -10.1 -31.0 47.6 44 219 A V H >< S+ 0 0 44 -4,-2.1 3,-1.1 1,-0.2 4,-0.4 0.957 115.8 44.0 -59.7 -50.9 -11.4 -27.8 49.3 45 220 A L H >< S+ 0 0 0 -4,-3.2 3,-1.5 1,-0.2 -1,-0.2 0.845 104.7 63.5 -64.9 -34.7 -15.1 -28.7 48.8 46 221 A S H 3< S+ 0 0 32 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.663 99.7 54.5 -68.1 -15.6 -14.7 -32.3 49.8 47 222 A K T << S+ 0 0 145 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.592 91.4 96.4 -89.9 -10.9 -13.6 -31.3 53.3 48 223 A L S < S- 0 0 56 -3,-1.5 2,-0.1 -4,-0.4 4,-0.1 -0.437 77.9-112.1 -81.4 152.2 -16.7 -29.2 53.9 49 224 A S - 0 0 53 2,-0.2 -1,-0.1 -2,-0.1 144,-0.1 -0.386 26.8-115.9 -70.0 156.7 -19.9 -30.3 55.7 50 225 A T S S+ 0 0 4 142,-0.8 115,-1.8 1,-0.2 116,-1.6 0.833 114.0 50.0 -61.9 -31.2 -23.0 -30.7 53.7 51 226 A L E S-b 166 0B 1 114,-0.2 2,-0.5 141,-0.2 116,-0.2 -0.954 85.1-151.2-107.7 108.8 -24.3 -27.8 55.9 52 227 A V E -b 167 0B 22 114,-2.7 116,-2.9 -2,-0.6 2,-0.5 -0.718 9.8-157.9 -78.8 125.7 -21.8 -24.9 56.0 53 228 A E E -b 168 0B 107 -2,-0.5 2,-0.4 114,-0.2 116,-0.2 -0.955 14.3-178.6-113.0 119.9 -22.2 -23.1 59.3 54 229 A T E -b 169 0B 27 114,-2.5 116,-2.6 -2,-0.5 2,-0.4 -0.946 18.1-151.0-126.0 131.7 -20.9 -19.5 59.2 55 230 A T - 0 0 113 -2,-0.4 2,-0.6 114,-0.2 236,-0.1 -0.862 8.2-159.8-100.4 134.7 -20.7 -16.9 61.9 56 231 A L - 0 0 10 -2,-0.4 6,-0.1 235,-0.1 234,-0.0 -0.974 16.8-137.6-114.4 116.7 -20.9 -13.2 60.9 57 232 A K > - 0 0 133 -2,-0.6 3,-1.9 1,-0.1 234,-0.5 -0.217 30.7 -98.4 -68.3 166.7 -19.5 -10.8 63.5 58 233 A E T 3 S+ 0 0 143 1,-0.3 234,-0.8 233,-0.3 -1,-0.1 0.792 124.4 45.5 -60.6 -29.4 -21.4 -7.6 64.3 59 234 A T T 3 S+ 0 0 136 232,-0.2 -1,-0.3 231,-0.1 2,-0.2 0.435 100.0 94.0 -91.6 -1.3 -19.2 -5.5 62.0 60 235 A E < - 0 0 61 -3,-1.9 231,-2.7 29,-0.0 232,-0.3 -0.540 50.8-169.2 -98.5 157.2 -19.3 -8.0 59.1 61 236 A K E -G 290 0C 57 229,-0.2 2,-0.3 27,-0.2 229,-0.2 -0.891 3.1-161.1-133.6 163.6 -21.6 -8.3 56.1 62 237 A I E -G 289 0C 2 227,-2.0 227,-2.3 -2,-0.3 2,-0.5 -0.986 12.5-137.7-144.7 149.7 -22.2 -10.9 53.4 63 238 A T E -Gh 288 91C 0 27,-2.1 29,-2.4 -2,-0.3 2,-0.5 -0.930 13.8-158.5-108.2 133.0 -23.7 -10.8 50.0 64 239 A V E -Gh 287 92C 0 223,-2.6 223,-2.6 -2,-0.5 2,-0.3 -0.945 10.4-174.7-113.7 123.1 -26.1 -13.6 48.8 65 240 A C E -Gh 286 93C 0 27,-3.0 29,-2.9 -2,-0.5 221,-0.1 -0.880 8.1-154.0-113.1 146.4 -26.7 -14.1 45.1 66 241 A G - 0 0 0 219,-0.6 205,-0.2 -2,-0.3 29,-0.1 0.008 56.1 -13.7 -96.5-152.5 -29.1 -16.5 43.5 67 242 A D + 0 0 4 203,-0.5 205,-0.9 27,-0.2 -1,-0.3 -0.110 48.9 173.6 -52.0 140.9 -29.0 -18.2 40.1 68 243 A T > - 0 0 3 28,-2.0 3,-2.0 27,-0.4 29,-0.2 0.580 16.0-165.6-120.6 -27.8 -26.4 -16.9 37.6 69 244 A H T 3 - 0 0 6 27,-2.9 32,-0.7 1,-0.3 29,-0.3 0.818 67.4 -53.0 44.9 52.9 -26.8 -19.4 34.8 70 245 A G T 3 S+ 0 0 0 27,-2.4 2,-1.7 1,-0.2 33,-1.3 0.640 92.3 140.2 66.4 15.0 -23.7 -18.8 32.7 71 246 A Q X> + 0 0 16 -3,-2.0 4,-1.9 1,-0.2 3,-0.7 -0.528 21.6 169.3 -89.2 71.8 -24.5 -15.0 32.4 72 247 A F H 3> + 0 0 0 -2,-1.7 4,-2.3 1,-0.3 -1,-0.2 0.806 69.0 54.5 -57.9 -37.7 -20.8 -14.1 32.8 73 248 A Y H 3> S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.857 109.3 49.0 -71.0 -29.2 -21.1 -10.5 31.8 74 249 A D H <> S+ 0 0 5 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.860 106.8 56.1 -73.7 -35.1 -23.8 -10.0 34.5 75 250 A L H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.934 107.0 49.6 -59.6 -45.1 -21.6 -11.8 37.0 76 251 A L H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.909 107.8 55.0 -60.2 -39.9 -18.9 -9.2 36.3 77 252 A N H X S+ 0 0 21 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.907 103.8 54.2 -59.8 -42.8 -21.5 -6.5 36.7 78 253 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.947 109.8 47.3 -53.4 -49.0 -22.3 -7.8 40.2 79 254 A F H X S+ 0 0 8 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.833 112.6 49.8 -65.3 -32.0 -18.6 -7.5 41.1 80 255 A E H < S+ 0 0 128 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.895 117.0 39.9 -70.3 -39.7 -18.5 -4.0 39.7 81 256 A L H < S+ 0 0 89 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.862 131.3 25.7 -74.2 -38.0 -21.6 -2.9 41.6 82 257 A N H < S- 0 0 22 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.444 112.8-104.4-113.3 -2.7 -20.9 -4.6 44.8 83 258 A G < - 0 0 30 -4,-1.4 -1,-0.2 -5,-0.3 -3,-0.1 0.149 43.3 -66.1 93.7 149.0 -17.1 -5.0 44.9 84 259 A L - 0 0 63 1,-0.1 -4,-0.0 -4,-0.1 -5,-0.0 -0.323 64.8 -91.4 -60.7 151.8 -14.8 -7.9 44.2 85 260 A P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.314 62.4 146.0 -57.5 150.2 -15.0 -10.8 46.7 86 261 A S B > -K 89 0D 21 3,-1.0 3,-0.9 35,-0.3 32,-0.1 -0.958 65.4 -79.9-168.8 179.4 -12.5 -10.5 49.6 87 262 A E T 3 S+ 0 0 110 -2,-0.3 31,-0.0 1,-0.2 35,-0.0 0.701 133.9 39.5 -64.6 -17.7 -12.2 -11.3 53.4 88 263 A T T 3 S+ 0 0 115 1,-0.2 -1,-0.2 -28,-0.1 -27,-0.2 0.423 119.3 46.8-110.1 -0.4 -14.2 -8.1 54.1 89 264 A N B < S-K 86 0D 15 -3,-0.9 -3,-1.0 -29,-0.1 -1,-0.2 -0.569 80.5-179.0-136.1 68.4 -16.7 -8.6 51.2 90 265 A P - 0 0 9 0, 0.0 -27,-2.1 0, 0.0 2,-0.3 -0.347 6.6-158.9 -76.4 156.4 -17.8 -12.2 51.4 91 266 A Y E -hi 63 122C 0 30,-1.9 32,-2.9 -29,-0.2 2,-0.4 -0.957 15.5-161.3-131.5 151.2 -20.2 -13.8 48.9 92 267 A I E -hi 64 123C 0 -29,-2.4 -27,-3.0 -2,-0.3 2,-0.6 -0.998 9.4-161.3-124.8 125.3 -22.6 -16.8 48.8 93 268 A F E -hi 65 124C 0 30,-2.8 32,-2.3 -2,-0.4 2,-1.4 -0.954 13.0-148.3-105.9 119.5 -23.7 -18.0 45.3 94 269 A N E - 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0 0 0 38,-2.8 51,-0.5 -2,-0.3 2,-0.2 -0.438 33.1-165.0 -71.1 141.8 -25.2 -26.7 44.8 127 302 A G > - 0 0 0 -2,-0.1 3,-1.7 50,-0.1 -32,-0.1 -0.686 40.6 -96.4-113.1 173.6 -28.2 -26.0 42.6 128 303 A N T 3 S+ 0 0 3 82,-0.6 6,-0.2 1,-0.3 3,-0.1 0.776 122.8 59.8 -64.4 -19.0 -30.3 -28.4 40.7 129 304 A H T 3 S+ 0 0 7 1,-0.2 2,-1.4 5,-0.1 -1,-0.3 0.554 80.1 83.2 -85.1 -8.0 -28.2 -27.6 37.6 130 305 A E S < S+ 0 0 0 -3,-1.7 2,-0.3 30,-0.1 -1,-0.2 -0.385 80.7 95.3 -88.0 57.5 -24.9 -28.7 39.1 131 306 A T S > S- 0 0 2 -2,-1.4 4,-2.3 1,-0.1 5,-0.2 -0.972 81.6-118.3-146.5 155.5 -25.9 -32.2 38.1 132 307 A D H > S+ 0 0 44 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.915 108.1 50.2 -68.8 -46.4 -25.1 -34.5 35.1 133 308 A N H > S+ 0 0 81 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.888 115.4 45.1 -64.3 -35.8 -28.6 -35.1 33.7 134 309 A M H >> S+ 0 0 13 -6,-0.2 4,-3.0 1,-0.2 3,-0.8 0.931 112.3 50.7 -68.4 -46.1 -29.3 -31.3 33.7 135 310 A N H 3X S+ 0 0 0 -4,-2.3 6,-1.9 1,-0.2 4,-0.7 0.824 104.7 58.8 -61.2 -33.2 -25.9 -30.5 32.2 136 311 A Q H 3< S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.820 119.0 28.6 -65.1 -31.5 -26.4 -33.0 29.4 137 312 A I H << S+ 0 0 95 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.831 117.1 51.5 -95.8 -41.4 -29.6 -31.2 28.3 138 313 A Y H < S- 0 0 64 -4,-3.0 -38,-3.1 177,-0.2 177,-0.2 0.283 112.0 -89.8-102.4 11.3 -29.2 -27.5 29.2 139 314 A G S X S+ 0 0 6 -4,-0.7 4,-2.7 175,-0.2 5,-0.2 -0.054 97.2 95.4 124.1 -35.5 -25.9 -26.5 27.7 140 315 A F H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.915 89.2 47.5 -64.4 -43.4 -23.0 -27.0 30.2 141 316 A E H > S+ 0 0 32 -6,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.945 115.1 47.4 -62.9 -42.9 -21.9 -30.4 29.0 142 317 A G H > S+ 0 0 26 -7,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.891 112.4 50.1 -61.7 -40.2 -22.0 -29.2 25.4 143 318 A E H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.912 111.3 46.8 -68.2 -42.5 -20.1 -26.0 26.3 144 319 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.911 112.5 50.5 -65.4 -40.3 -17.4 -27.9 28.1 145 320 A K H < S+ 0 0 98 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.872 112.5 48.4 -64.2 -35.0 -17.0 -30.4 25.3 146 321 A A H < S+ 0 0 67 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.881 122.0 31.7 -72.0 -39.8 -16.7 -27.5 22.8 147 322 A K H < S- 0 0 32 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.784 139.8 -5.4 -91.5 -30.2 -14.1 -25.5 24.8 148 323 A Y S < S- 0 0 28 -4,-3.0 2,-0.3 -5,-0.3 -3,-0.1 0.125 94.7 -72.5-128.5-116.7 -12.3 -28.4 26.4 149 324 A T > - 0 0 78 1,-0.1 4,-1.8 -2,-0.0 3,-0.3 -0.945 36.1 -98.8-147.8 165.9 -13.0 -32.2 26.3 150 325 A A H > S+ 0 0 47 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.847 122.1 58.5 -52.9 -38.2 -15.4 -34.8 27.6 151 326 A Q H > S+ 0 0 159 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 103.4 50.4 -62.4 -41.6 -12.7 -35.6 30.2 152 327 A M H > S+ 0 0 16 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.897 109.5 52.5 -61.9 -39.0 -12.8 -32.0 31.5 153 328 A Y H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.926 105.3 53.9 -63.1 -44.8 -16.6 -32.4 31.8 154 329 A E H X S+ 0 0 86 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.889 108.5 50.3 -55.3 -40.5 -16.3 -35.5 33.8 155 330 A L H X S+ 0 0 17 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.925 108.1 51.5 -65.1 -44.8 -14.0 -33.7 36.2 156 331 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.927 108.3 53.2 -55.8 -45.2 -16.5 -30.8 36.6 157 332 A S H X S+ 0 0 14 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.905 108.9 48.6 -58.1 -43.5 -19.2 -33.3 37.4 158 333 A E H < S+ 0 0 89 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.847 111.2 50.0 -62.4 -38.8 -17.1 -34.8 40.1 159 334 A V H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-0.4 0.934 105.4 56.5 -66.7 -43.3 -16.4 -31.4 41.6 160 335 A F H >< S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.826 96.0 66.5 -57.2 -34.9 -20.1 -30.5 41.6 161 336 A E T 3< S+ 0 0 45 -4,-1.3 37,-0.4 1,-0.3 -1,-0.3 0.738 99.5 51.9 -59.7 -23.1 -20.8 -33.6 43.7 162 337 A W T < S+ 0 0 66 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.498 78.5 117.2 -93.9 -2.9 -18.8 -32.0 46.6 163 338 A L S < S- 0 0 0 -3,-1.5 -38,-0.1 -4,-0.4 -121,-0.0 -0.413 73.0-112.8 -61.2 132.9 -20.7 -28.6 46.6 164 339 A P - 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