==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-03 1NXC . COMPND 2 MOLECULE: MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE IA . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR W.TEMPEL,Z.-J.LIU,K.KARAVEG,J.ROSE,K.W.MOREMEN,B.-C.WANG,SOU . 467 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 22 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 1 1 0 1 1 0 0 1 1 2 2 1 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 6 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 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 1 178 A F 0 0 131 0, 0.0 118,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.8 10.5 71.5 -11.4 2 179 A L - 0 0 73 117,-0.1 120,-0.1 1,-0.0 0, 0.0 -0.931 360.0-101.9-111.3 137.2 12.3 68.2 -10.8 3 180 A P - 0 0 113 0, 0.0 2,-0.1 0, 0.0 117,-0.1 -0.323 46.3-114.1 -54.6 130.7 10.6 64.8 -10.5 4 181 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 3,-0.4 -0.410 23.9-119.8 -74.2 150.1 10.2 63.9 -6.8 5 182 A V S S+ 0 0 74 1,-0.2 444,-0.2 448,-0.1 448,-0.1 -0.749 82.7 0.2 -92.0 127.7 12.1 60.9 -5.3 6 183 A G S S+ 0 0 27 -2,-0.4 443,-2.9 443,-0.1 -1,-0.2 0.931 76.2 134.6 68.5 51.6 10.2 58.0 -3.7 7 184 A V + 0 0 37 -3,-0.4 2,-0.3 441,-0.2 441,-0.1 0.478 39.7 104.5-106.5 -6.7 6.5 59.1 -4.1 8 185 A E - 0 0 52 439,-0.2 2,-0.7 1,-0.1 441,-0.1 -0.598 61.4-148.5 -78.7 133.2 5.2 55.7 -5.2 9 186 A N - 0 0 53 -2,-0.3 -1,-0.1 439,-0.1 439,-0.1 -0.572 21.1-176.1-104.0 66.2 3.3 53.7 -2.7 10 187 A R - 0 0 138 -2,-0.7 435,-0.4 1,-0.1 438,-0.1 -0.341 36.2 -99.7 -58.5 138.4 4.1 50.1 -3.6 11 188 A E - 0 0 78 1,-0.1 -1,-0.1 433,-0.1 7,-0.1 -0.404 40.0-108.5 -62.9 132.0 2.2 47.5 -1.5 12 189 A P - 0 0 4 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.207 22.3-122.9 -55.4 152.4 4.2 45.9 1.4 13 190 A A S S+ 0 0 95 4,-0.1 2,-0.4 5,-0.0 -2,-0.1 0.838 90.1 80.4 -69.8 -36.5 5.2 42.2 0.9 14 191 A D S > S- 0 0 90 1,-0.1 4,-2.4 2,-0.0 5,-0.2 -0.613 74.1-143.8 -81.6 129.2 3.5 41.0 4.1 15 192 A A H > S+ 0 0 57 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.801 99.3 51.1 -61.8 -34.8 -0.2 40.4 3.8 16 193 A T H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 110.3 48.2 -73.0 -39.6 -1.0 41.6 7.3 17 194 A I H > S+ 0 0 23 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.912 110.2 53.2 -64.8 -43.0 1.0 44.9 6.8 18 195 A R H X S+ 0 0 105 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 110.4 47.7 -53.0 -46.7 -0.8 45.4 3.5 19 196 A E H X S+ 0 0 142 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.912 111.7 49.0 -64.9 -43.7 -4.2 45.0 5.3 20 197 A K H X S+ 0 0 52 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.913 111.4 49.4 -61.8 -45.7 -3.2 47.4 8.1 21 198 A R H X S+ 0 0 16 -4,-2.8 4,-2.0 422,-0.2 -2,-0.2 0.908 108.7 53.2 -59.7 -41.7 -2.0 50.0 5.7 22 199 A A H X S+ 0 0 61 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.835 105.0 56.4 -62.9 -32.1 -5.3 49.7 3.7 23 200 A K H X S+ 0 0 61 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.910 104.7 50.7 -64.5 -43.5 -7.2 50.3 7.0 24 201 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.908 109.3 51.2 -63.6 -39.8 -5.4 53.6 7.6 25 202 A K H X S+ 0 0 73 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.911 108.7 52.1 -61.1 -40.6 -6.3 54.7 4.0 26 203 A E H X S+ 0 0 67 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.896 106.0 53.8 -62.5 -37.8 -9.9 53.8 4.8 27 204 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.883 107.7 51.6 -63.8 -37.9 -9.7 55.9 8.0 28 205 A M H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.906 106.1 53.1 -65.0 -41.3 -8.6 58.9 5.7 29 206 A T H X S+ 0 0 39 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.889 109.6 50.7 -61.8 -34.5 -11.5 58.3 3.4 30 207 A H H X S+ 0 0 25 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.949 114.8 41.1 -67.3 -47.1 -13.7 58.6 6.5 31 208 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.923 121.1 42.3 -64.1 -47.6 -12.2 61.8 7.7 32 209 A W H X S+ 0 0 1 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.923 113.0 49.7 -67.1 -50.2 -11.9 63.4 4.3 33 210 A N H X S+ 0 0 83 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.861 113.2 47.8 -63.4 -33.8 -15.3 62.4 2.9 34 211 A N H X S+ 0 0 21 -4,-1.5 4,-1.9 -5,-0.3 5,-0.3 0.893 109.9 51.9 -74.4 -38.7 -17.1 63.7 6.0 35 212 A Y H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.948 113.0 45.8 -56.8 -49.5 -15.2 67.0 6.0 36 213 A K H X S+ 0 0 46 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.864 111.3 54.0 -61.8 -36.7 -16.3 67.4 2.3 37 214 A R H < S+ 0 0 169 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.887 127.3 13.2 -66.4 -41.1 -19.9 66.4 3.1 38 215 A Y H < S+ 0 0 66 -4,-1.9 14,-0.2 13,-0.1 -2,-0.2 0.551 136.2 27.4-115.7 -13.0 -20.5 69.0 6.0 39 216 A A H >< + 0 0 2 -4,-2.5 3,-2.4 -5,-0.3 -3,-0.2 0.162 67.1 165.5-143.4 21.6 -17.7 71.6 5.9 40 217 A W T 3< S+ 0 0 91 -4,-0.6 3,-0.1 1,-0.3 -4,-0.1 -0.192 78.7 6.6 -55.1 126.8 -16.3 71.9 2.4 41 218 A G T 3 S+ 0 0 8 1,-0.3 22,-1.6 2,-0.1 -1,-0.3 0.123 105.3 110.9 87.2 -20.4 -14.2 75.1 2.1 42 219 A L S < S- 0 0 59 -3,-2.4 23,-0.5 20,-0.2 -1,-0.3 -0.410 81.6-109.4 -82.1 162.6 -14.4 75.8 5.9 43 220 A N S S- 0 0 2 20,-0.2 22,-1.6 18,-0.2 2,-0.3 0.917 87.6 -7.7 -65.2 -43.2 -11.3 75.5 8.0 44 221 A E E -A 53 0A 3 9,-1.7 9,-2.3 20,-0.1 2,-0.4 -0.876 69.3-107.6-146.5 171.4 -12.3 72.4 10.0 45 222 A L E -AB 52 427A 0 382,-0.8 382,-3.0 -2,-0.3 7,-0.2 -0.871 7.7-147.4-106.5 140.7 -15.2 70.0 10.6 46 223 A K E >> -A 51 0A 53 5,-3.1 4,-1.5 -2,-0.4 5,-1.2 -0.939 21.6-167.6 -97.3 104.1 -17.4 69.6 13.7 47 224 A P T 45S+ 0 0 2 0, 0.0 361,-0.4 0, 0.0 -1,-0.1 0.726 80.9 41.7 -75.5 -24.6 -18.0 65.8 13.4 48 225 A I T 45S+ 0 0 83 1,-0.1 -2,-0.0 359,-0.1 361,-0.0 0.895 122.8 39.0 -82.6 -49.1 -20.8 65.5 16.0 49 226 A S T 45S- 0 0 55 376,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.644 100.5-137.8 -71.5 -21.0 -22.6 68.7 14.9 50 227 A K T <5 + 0 0 77 -4,-1.5 2,-0.3 1,-0.2 359,-0.0 0.946 65.5 102.6 55.7 54.8 -21.9 68.0 11.2 51 228 A E E - 0 0 25 -2,-0.6 3,-1.6 1,-0.1 4,-0.2 -0.365 20.6-129.3 -62.1 140.5 -10.7 78.5 14.7 56 233 A S G > S+ 0 0 107 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.690 101.2 77.0 -66.5 -15.5 -9.6 82.1 15.5 57 234 A L G 3 S+ 0 0 39 1,-0.2 45,-2.7 44,-0.1 -1,-0.3 0.755 98.0 44.5 -62.2 -25.8 -6.0 81.1 14.7 58 235 A F G X S- 0 0 1 -3,-1.6 3,-2.1 1,-0.3 -1,-0.2 0.347 88.6-162.4-102.6 2.1 -6.8 81.3 11.0 59 236 A G T < - 0 0 19 -3,-1.1 -1,-0.3 1,-0.3 42,-0.1 -0.261 67.5 -26.2 52.5-128.6 -8.8 84.5 10.9 60 237 A N T 3 S+ 0 0 82 35,-0.1 -1,-0.3 -4,-0.1 2,-0.1 0.226 101.8 120.9-103.6 8.8 -10.9 84.7 7.7 61 238 A I < - 0 0 0 -3,-2.1 2,-0.2 36,-0.1 3,-0.2 -0.462 54.3-141.7 -66.0 149.0 -8.7 82.5 5.6 62 239 A K + 0 0 87 32,-0.3 -20,-0.2 30,-0.2 -2,-0.1 -0.694 61.4 31.3-110.2 163.5 -10.6 79.4 4.2 63 240 A G > + 0 0 0 -22,-1.6 4,-2.5 -2,-0.2 5,-0.3 0.678 51.1 156.0 72.6 28.4 -9.8 75.8 3.6 64 241 A A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 79.2 47.5 -50.9 -45.5 -7.3 74.8 6.3 65 242 A T H > S+ 0 0 0 -22,-1.6 4,-1.7 -23,-0.5 -1,-0.2 0.859 110.4 53.0 -68.9 -34.7 -8.2 71.1 6.2 66 243 A I H > S+ 0 0 0 -24,-0.3 4,-0.8 -3,-0.2 -2,-0.2 0.962 115.4 39.7 -60.9 -51.3 -8.1 71.1 2.3 67 244 A V H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.920 115.5 50.9 -68.2 -42.7 -4.5 72.6 2.3 68 245 A D H 3< S+ 0 0 0 -4,-2.8 4,-0.3 -5,-0.3 -1,-0.2 0.813 113.5 46.9 -64.5 -30.2 -3.3 70.5 5.3 69 246 A A H 3X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.578 83.5 94.6 -86.4 -13.8 -4.6 67.2 3.7 70 247 A L H S+ 0 0 0 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.863 112.5 53.2 -70.7 -34.9 0.0 65.8 0.6 72 249 A T H > S+ 0 0 0 -4,-0.3 4,-1.8 2,-0.2 6,-0.2 0.932 110.3 49.2 -62.8 -46.3 -1.6 62.9 2.6 73 250 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.3 0.944 111.2 51.3 -54.5 -48.0 -4.1 62.5 -0.2 74 251 A F H ><5S+ 0 0 26 -4,-2.2 3,-1.6 -5,-0.3 -2,-0.2 0.931 110.7 44.7 -60.0 -48.7 -1.3 62.4 -2.8 75 252 A I H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.6 56.6 -74.1 -23.9 0.9 59.8 -1.1 76 253 A M T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.412 117.5-113.5 -80.8 1.5 -2.2 57.6 -0.4 77 254 A G T < 5 + 0 0 32 -3,-1.6 2,-1.7 -4,-0.3 3,-0.2 0.679 67.6 147.1 74.2 21.0 -2.9 57.6 -4.1 78 255 A M >< + 0 0 5 -5,-2.5 4,-1.9 -6,-0.2 -1,-0.2 -0.540 11.9 155.7 -88.8 74.4 -6.2 59.5 -3.6 79 256 A K H > + 0 0 104 -2,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.850 65.2 53.4 -80.9 -35.5 -5.8 61.4 -7.0 80 257 A T H > S+ 0 0 100 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 113.0 46.7 -58.7 -47.0 -9.5 62.2 -7.6 81 258 A E H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.892 110.4 52.7 -62.8 -41.9 -9.6 63.8 -4.1 82 259 A F H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.868 108.7 50.4 -64.0 -39.0 -6.3 65.7 -4.7 83 260 A Q H X S+ 0 0 79 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.879 109.1 50.0 -68.1 -38.2 -7.7 67.2 -8.0 84 261 A E H X S+ 0 0 86 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.889 111.9 49.7 -64.9 -38.8 -10.9 68.4 -6.3 85 262 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.931 110.2 50.1 -66.3 -44.4 -8.8 70.0 -3.6 86 263 A K H X S+ 0 0 39 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.895 108.4 52.5 -59.6 -42.7 -6.6 71.7 -6.2 87 264 A S H X S+ 0 0 76 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.895 109.0 49.7 -64.7 -36.4 -9.6 73.0 -8.1 88 265 A W H X S+ 0 0 24 -4,-1.8 4,-2.7 2,-0.2 5,-0.5 0.904 109.9 51.5 -65.9 -41.9 -11.0 74.6 -4.9 89 266 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.942 107.0 52.5 -62.4 -47.2 -7.7 76.3 -4.2 90 267 A K H < S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 120.9 32.9 -56.6 -39.9 -7.4 77.8 -7.6 91 268 A K H < S+ 0 0 69 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.817 133.4 17.6 -85.1 -32.4 -10.9 79.4 -7.3 92 269 A Y H < S+ 0 0 158 -4,-2.7 2,-0.8 -5,-0.2 -3,-0.2 0.559 80.1 108.6-128.7 -16.5 -11.2 80.2 -3.6 93 270 A L < + 0 0 2 -4,-1.7 2,-0.4 -5,-0.5 -32,-0.1 -0.648 45.9 170.8 -77.5 112.9 -8.0 80.3 -1.5 94 271 A D - 0 0 88 -2,-0.8 -32,-0.3 1,-0.1 -3,-0.0 -0.985 29.7-177.3-131.3 125.2 -7.6 84.0 -0.8 95 272 A F + 0 0 3 -2,-0.4 2,-1.6 1,-0.1 -1,-0.1 0.455 64.9 96.4 -98.9 -5.1 -5.1 85.7 1.6 96 273 A N + 0 0 106 2,-0.1 2,-0.3 59,-0.0 -1,-0.1 -0.618 60.5 132.7 -84.3 75.8 -6.4 89.2 1.0 97 274 A V - 0 0 25 -2,-1.6 2,-1.1 2,-0.1 58,-0.6 -0.946 59.9-124.4-134.1 149.5 -8.6 89.2 4.1 98 275 A N S S+ 0 0 101 -2,-0.3 2,-0.3 56,-0.2 55,-0.1 -0.579 71.7 83.1 -99.7 73.2 -9.3 91.6 7.0 99 276 A A S S- 0 0 20 -2,-1.1 55,-1.7 53,-0.1 2,-0.3 -0.979 77.0 -93.2-160.2 164.7 -8.6 89.7 10.2 100 277 A E E -C 153 0B 64 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.635 38.9-175.5 -85.9 141.4 -5.8 88.7 12.5 101 278 A V E -C 152 0B 0 51,-1.9 51,-2.0 -2,-0.3 2,-0.7 -0.924 35.7-103.2-128.3 157.1 -4.1 85.3 12.1 102 279 A S E > -C 151 0B 1 -45,-2.7 4,-2.4 -2,-0.3 5,-0.3 -0.744 27.7-154.1 -75.6 117.2 -1.4 83.4 14.0 103 280 A V H > S+ 0 0 3 47,-2.2 4,-2.2 -2,-0.7 -1,-0.2 0.920 93.6 51.2 -57.6 -47.8 1.6 83.9 11.8 104 281 A F H > S+ 0 0 28 46,-0.4 4,-2.5 2,-0.2 5,-0.3 0.940 111.7 44.0 -55.0 -51.9 3.1 80.6 13.2 105 282 A E H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.5 0.899 114.0 49.6 -68.9 -40.1 -0.0 78.5 12.5 106 283 A V H X>S+ 0 0 0 -4,-2.4 5,-1.9 -49,-0.2 4,-1.2 0.888 112.2 50.3 -67.4 -36.7 -0.6 79.9 9.0 107 284 A N H <>S+ 0 0 0 -4,-2.2 5,-2.0 -5,-0.3 -2,-0.2 0.958 114.2 40.7 -61.8 -52.3 3.1 79.3 8.2 108 285 A I H <5S+ 0 0 5 -4,-2.5 351,-0.3 3,-0.2 -2,-0.2 0.865 128.2 30.5 -74.2 -31.4 3.2 75.6 9.3 109 286 A R H X5S+ 0 0 15 -4,-2.1 4,-1.7 -5,-0.3 -3,-0.2 0.938 131.0 25.6 -89.1 -56.0 -0.2 74.6 7.9 110 287 A F H X5S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.5 5,-0.2 0.962 128.4 38.6 -81.5 -53.4 -0.9 76.8 4.8 111 288 A V H >> - 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0 0 80 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.057 69.1 -58.4 -54.1 161.6 29.2 63.5 17.7 316 493 A E T 3 S+ 0 0 188 1,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.144 123.5 2.6 -40.0 124.1 31.5 60.4 17.9 317 494 A A T 3 S+ 0 0 101 -3,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.674 109.1 92.5 66.7 20.5 30.1 57.7 20.2 318 495 A R <> + 0 0 21 -3,-1.9 4,-1.7 -7,-0.1 -2,-0.2 0.416 58.1 87.4-114.5 -7.2 26.9 59.7 21.0 319 496 A A H > S+ 0 0 39 -4,-0.4 4,-2.0 1,-0.2 5,-0.2 0.926 90.8 44.8 -61.7 -48.8 24.7 58.1 18.3 320 497 A Q H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.875 108.7 60.1 -63.8 -35.1 23.5 55.1 20.3 321 498 A H H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 108.7 42.7 -55.8 -45.0 22.9 57.5 23.3 322 499 A Y H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.842 112.5 51.7 -77.9 -33.5 20.4 59.5 21.2 323 500 A L H X S+ 0 0 56 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.883 113.6 46.9 -62.7 -39.4 18.7 56.4 19.7 324 501 A E H X S+ 0 0 128 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.877 110.5 50.5 -72.4 -37.8 18.3 55.1 23.3 325 502 A L H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.918 110.1 51.7 -63.9 -45.6 17.0 58.4 24.6 326 503 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.915 109.3 50.0 -53.3 -46.4 14.5 58.5 21.8 327 504 A A H X S+ 0 0 21 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.856 109.7 50.9 -63.5 -35.6 13.4 54.9 22.7 328 505 A E H X S+ 0 0 66 -4,-1.9 4,-2.4 2,-0.2 -46,-0.3 0.880 110.4 48.1 -71.9 -39.0 12.9 55.9 26.4 329 506 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.917 111.4 52.1 -62.5 -43.5 10.8 58.9 25.5 330 507 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.892 110.8 47.6 -56.0 -44.4 8.8 56.6 23.2 331 508 A R H X S+ 0 0 81 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.922 112.3 47.8 -65.7 -48.1 8.3 54.1 26.1 332 509 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.924 114.0 47.8 -55.9 -47.4 7.2 56.8 28.6 333 510 A a H X S+ 0 0 1 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.906 110.7 51.2 -66.0 -39.4 4.8 58.2 26.1 334 511 A H H X S+ 0 0 17 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.879 107.6 54.3 -59.1 -39.4 3.5 54.7 25.3 335 512 A E H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.867 101.8 56.7 -63.8 -35.3 3.0 54.3 29.1 336 513 A S H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.831 112.8 42.7 -63.8 -31.1 0.9 57.5 29.2 337 514 A Y H >< S+ 0 0 6 -4,-1.2 3,-1.4 -3,-0.3 6,-0.4 0.903 113.0 52.4 -74.1 -48.6 -1.3 55.8 26.6 338 515 A N H 3< S+ 0 0 70 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.831 103.2 57.6 -57.4 -36.9 -1.3 52.4 28.4 339 516 A R T 3< S+ 0 0 96 -4,-2.3 -1,-0.3 18,-0.2 2,-0.2 0.190 93.9 84.8 -89.5 15.8 -2.4 53.8 31.8 340 517 A T S < S- 0 0 11 -3,-1.4 77,-0.2 1,-0.1 5,-0.1 -0.614 81.3-122.9-102.9 169.8 -5.6 55.3 30.4 341 518 A Y S S+ 0 0 131 75,-1.6 76,-0.2 -2,-0.2 -1,-0.1 0.916 111.5 39.3 -71.1 -48.3 -9.0 53.7 29.9 342 519 A V S S- 0 0 4 74,-1.9 61,-0.1 2,-0.2 60,-0.1 0.631 105.8-121.5 -82.3 -14.4 -9.2 54.6 26.1 343 520 A K S S+ 0 0 89 -6,-0.4 2,-0.4 73,-0.3 56,-0.2 0.787 81.0 107.2 68.5 32.6 -5.5 53.8 25.3 344 521 A L S S- 0 0 0 72,-0.2 -1,-0.3 -7,-0.2 -2,-0.2 -0.989 72.6-113.4-132.1 135.2 -4.9 57.3 24.0 345 522 A G - 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0 0 30 -3,-1.2 2,-0.3 3,-0.1 -1,-0.3 -0.838 49.2-160.6-125.0 160.2 1.7 59.3 40.3 356 533 A E S S- 0 0 46 -2,-0.3 -5,-0.2 -5,-0.1 3,-0.1 -0.903 75.9 -13.0-142.8 116.1 3.7 58.3 37.2 357 534 A A S S+ 0 0 0 -7,-1.7 2,-0.3 -2,-0.3 -18,-0.2 0.747 105.8 104.3 67.8 29.2 2.6 59.0 33.6 358 535 A I B S-K 350 0F 52 -8,-0.8 -8,-2.6 -13,-0.1 -1,-0.3 -0.959 70.3-113.8-129.8 157.2 -1.0 59.9 34.4 359 536 A A - 0 0 6 -2,-0.3 -10,-0.1 -10,-0.3 -3,-0.1 -0.507 23.7-179.5 -78.9 154.4 -2.9 63.2 34.5 360 537 A T + 0 0 73 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.627 60.9 76.7-121.7 -38.5 -4.2 64.5 37.9 361 538 A R S > S- 0 0 46 1,-0.1 3,-1.9 -13,-0.1 4,-0.2 -0.598 76.0-136.1 -77.4 133.9 -5.9 67.8 36.9 362 539 A Q G > S+ 0 0 115 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.855 103.1 59.1 -54.8 -39.5 -9.3 67.4 35.2 363 540 A N G 3 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.368 103.8 51.2 -78.1 6.1 -8.4 70.1 32.6 364 541 A E G < S+ 0 0 16 -3,-1.9 -16,-1.6 1,-0.1 -17,-0.5 0.242 83.6 88.8-121.4 13.0 -5.4 68.1 31.4 365 542 A K < + 0 0 40 -3,-1.3 51,-2.3 49,-0.2 52,-0.1 0.372 66.1 110.6 -91.1 5.2 -7.1 64.7 30.8 366 543 A Y - 0 0 81 49,-0.2 -19,-1.1 50,-0.1 2,-0.4 -0.356 51.3-156.6 -84.3 159.0 -8.1 65.4 27.2 367 544 A Y B -L 413 0G 2 46,-2.5 46,-2.8 -21,-0.2 2,-0.2 -0.965 4.9-173.0-132.4 113.3 -7.0 64.0 23.8 368 545 A I - 0 0 29 -2,-0.4 44,-0.1 44,-0.2 60,-0.1 -0.332 61.7 -84.9-105.4 52.3 -7.5 66.2 20.7 369 546 A L S S+ 0 0 0 -2,-0.2 66,-0.2 1,-0.2 43,-0.0 0.738 70.7 178.2 64.1 25.0 -6.4 63.8 18.0 370 547 A R - 0 0 38 1,-0.1 4,-0.2 64,-0.1 -1,-0.2 -0.217 26.5-157.0 -71.5 147.3 -2.7 64.7 18.4 371 548 A P > + 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.518 61.9 101.1 -96.0 -8.3 0.1 63.0 16.4 372 549 A E H > S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 -67,-0.2 0.751 84.8 44.8 -66.3 -30.7 3.2 63.4 18.5 373 550 A V H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 117.5 44.8 -74.2 -46.2 3.4 59.9 20.0 374 551 A I H > S+ 0 0 0 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.878 110.1 57.2 -62.6 -40.1 2.7 58.2 16.7 375 552 A E H X S+ 0 0 6 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.937 108.2 46.5 -52.7 -49.6 5.2 60.6 15.0 376 553 A T H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.902 108.8 55.1 -64.6 -39.5 7.8 59.3 17.5 377 554 A Y H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.881 105.6 53.9 -57.9 -37.6 6.8 55.7 16.7 378 555 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.941 111.2 43.4 -64.1 -47.6 7.4 56.3 13.0 379 556 A Y H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.937 114.4 50.6 -64.6 -44.6 10.9 57.6 13.5 380 557 A M H X S+ 0 0 1 -4,-2.5 4,-1.2 1,-0.2 5,-0.5 0.891 112.7 47.0 -63.3 -39.3 11.7 54.8 16.0 381 558 A W H X S+ 0 0 26 -4,-2.6 4,-2.5 -5,-0.2 3,-0.5 0.951 114.7 45.6 -63.9 -47.0 10.4 52.2 13.5 382 559 A R H < S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.791 118.6 42.7 -69.9 -25.7 12.3 53.6 10.5 383 560 A L H < S+ 0 0 67 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.534 133.7 14.8-101.1 -7.7 15.5 53.9 12.6 384 561 A T H < S- 0 0 61 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.2 0.546 76.9-143.4-131.3 -25.8 15.4 50.6 14.4 385 562 A H < + 0 0 81 -4,-2.5 -4,-0.2 -5,-0.5 -3,-0.1 0.763 40.8 160.4 52.7 30.5 12.9 48.3 12.7 386 563 A D >> - 0 0 61 -6,-0.4 3,-1.7 1,-0.1 4,-0.5 -0.715 41.6-138.1 -74.6 119.7 11.9 46.9 16.2 387 564 A P H >> S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.731 93.6 76.2 -53.8 -25.6 8.5 45.4 15.7 388 565 A K H 3> S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.812 88.1 59.2 -59.4 -30.1 7.2 46.8 19.0 389 566 A Y H <> S+ 0 0 6 -3,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.879 107.9 44.4 -70.1 -35.5 6.8 50.2 17.4 390 567 A R H S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-1.8 0.903 113.4 46.9 -59.6 -42.1 -8.9 55.7 17.6 401 578 A E H <5S+ 0 0 41 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.878 117.1 43.7 -71.1 -36.7 -11.4 53.4 15.9 402 579 A S H <5S+ 0 0 77 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.854 132.6 14.4 -72.2 -39.5 -13.0 52.3 19.2 403 580 A H H <5S+ 0 0 24 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.674 129.1 36.5-120.1 -21.6 -13.2 55.7 20.9 404 581 A C T <5S+ 0 0 0 -4,-2.1 7,-2.4 -5,-0.5 2,-0.3 0.687 88.1 94.9-107.8 -23.7 -12.6 58.7 18.4 405 582 A R E < +N 410 0H 64 -5,-1.8 2,-0.3 5,-0.2 5,-0.2 -0.549 50.2 169.2 -74.7 128.5 -14.3 57.4 15.2 406 583 A V E > -N 409 0H 22 3,-2.8 3,-1.6 -2,-0.3 -358,-0.0 -0.821 50.5 -95.2-130.8 170.2 -17.9 58.7 14.9 407 584 A N T 3 S+ 0 0 114 -2,-0.3 -359,-0.1 1,-0.3 3,-0.1 0.896 123.5 45.2 -54.7 -40.3 -20.4 58.7 12.1 408 585 A G T 3 S- 0 0 1 -361,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.221 127.5 -77.6 -92.1 12.8 -19.5 62.2 11.0 409 586 A G E < S-N 406 0H 0 -3,-1.6 -3,-2.8 -375,-0.1 2,-0.4 -0.997 75.1 -31.2 137.0-137.5 -15.7 61.8 11.2 410 587 A Y E -N 405 0H 0 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.993 52.5-168.2-126.0 136.6 -13.2 61.8 14.1 411 588 A S - 0 0 0 -7,-2.4 16,-0.2 -2,-0.4 -42,-0.1 -0.911 19.2-121.7-121.8 146.2 -13.6 63.7 17.4 412 589 A G - 0 0 0 14,-0.9 12,-2.1 -2,-0.3 13,-0.4 -0.274 29.3-124.9 -69.7 170.5 -11.3 64.4 20.3 413 590 A L B -LM 367 423G 3 -46,-2.8 -46,-2.5 10,-0.2 10,-0.2 -0.934 7.5-150.0-124.6 146.4 -12.1 63.4 23.9 414 591 A R S S+ 0 0 132 8,-2.2 2,-0.3 -2,-0.3 -49,-0.2 0.754 88.9 22.6 -88.2 -23.1 -12.4 65.3 27.2 415 592 A D > - 0 0 24 7,-0.2 3,-1.0 5,-0.1 -1,-0.3 -0.832 53.4-173.4-152.9 104.1 -11.3 62.5 29.5 416 593 A V T 3 S+ 0 0 0 -51,-2.3 -74,-1.9 -2,-0.3 -75,-1.6 0.470 79.8 70.3 -74.2 -2.0 -9.2 59.5 28.5 417 594 A Y T 3 S+ 0 0 52 -77,-0.2 2,-0.2 -76,-0.2 -1,-0.2 0.474 89.5 64.9-100.2 -3.5 -9.6 57.8 32.0 418 595 A I S < S- 0 0 85 -3,-1.0 -76,-0.1 2,-0.1 -3,-0.1 -0.770 75.8-123.8-123.4 168.7 -13.3 56.9 31.9 419 596 A A S S+ 0 0 53 -2,-0.2 2,-0.6 2,-0.1 -1,-0.1 0.849 88.8 73.8 -78.8 -36.8 -15.6 54.5 29.9 420 597 A R S S- 0 0 70 1,-0.1 -2,-0.1 2,-0.0 -5,-0.1 -0.695 84.0-127.9 -88.0 118.7 -18.2 57.0 28.6 421 598 A E - 0 0 70 -2,-0.6 2,-0.5 1,-0.1 -2,-0.1 -0.378 15.7-162.3 -68.0 138.6 -16.8 59.1 25.7 422 599 A S - 0 0 54 -7,-0.1 -8,-2.2 -2,-0.1 -7,-0.2 -0.906 19.2-151.5-118.4 97.3 -17.2 62.9 26.0 423 600 A Y B -M 413 0G 72 -2,-0.5 -10,-0.2 -10,-0.2 -19,-0.0 -0.458 13.4-154.2 -73.1 134.1 -16.6 64.1 22.5 424 601 A D - 0 0 29 -12,-2.1 -11,-0.1 -2,-0.2 -1,-0.1 0.523 32.5-129.9 -86.9 -5.1 -15.2 67.6 22.0 425 602 A D + 0 0 28 -13,-0.4 2,-0.4 1,-0.2 -376,-0.1 0.814 66.5 116.9 61.4 37.8 -16.8 68.0 18.5 426 603 A V - 0 0 17 -380,-0.2 2,-0.9 -14,-0.1 -14,-0.9 -0.971 49.6-159.2-135.4 123.7 -13.6 69.1 16.6 427 604 A Q B -B 45 0A 0 -382,-3.0 -382,-0.8 -2,-0.4 -16,-0.1 -0.850 29.0-141.8 -94.0 98.2 -11.9 67.2 13.8 428 605 A Q >> - 0 0 28 -2,-0.9 3,-1.9 1,-0.1 4,-0.6 -0.347 7.9-132.9 -64.9 138.4 -8.5 68.9 14.0 429 606 A S H >> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-1.1 0.833 105.2 66.1 -62.8 -29.3 -6.8 69.5 10.6 430 607 A F H 3>>S+ 0 0 12 1,-0.3 4,-2.2 2,-0.2 5,-1.8 0.642 85.9 69.2 -70.0 -13.7 -3.7 68.0 11.9 431 608 A F H <4>S+ 0 0 0 -3,-1.9 5,-2.4 3,-0.2 -1,-0.3 0.883 109.6 35.5 -64.5 -36.9 -5.4 64.6 12.3 432 609 A L H <<5S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.6 5,-0.2 0.859 123.7 42.7 -84.6 -39.9 -5.4 64.4 8.4 433 610 A A H <5S+ 0 0 0 -4,-2.0 -3,-0.2 3,-0.1 -2,-0.2 0.905 135.8 5.1 -68.6 -43.9 -2.0 66.2 7.9 434 611 A E T X5S+ 0 0 6 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.857 121.5 50.7-113.1 -59.7 -0.1 64.3 10.6 435 612 A T H > S+ 0 0 0 -6,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.950 110.6 44.9 -66.0 -46.9 0.1 60.4 7.4 438 615 A Y H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.893 112.8 51.3 -65.0 -39.4 2.5 59.0 10.1 439 616 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.941 110.9 49.0 -59.4 -44.3 0.3 55.9 10.6 440 617 A Y H < S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 111.3 49.4 -62.8 -41.8 0.3 55.3 6.8 441 618 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.863 104.5 58.2 -66.1 -37.6 4.0 55.7 6.6 442 619 A I H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.3 44.2 -60.0 -36.7 4.6 53.3 9.6 443 620 A F T 3< S+ 0 0 0 -4,-1.5 -1,-0.3 -3,-0.2 -422,-0.2 0.053 106.3 80.0-100.2 23.8 2.8 50.5 7.6 444 621 A S S < S- 0 0 1 -3,-1.6 2,-0.1 1,-0.1 -433,-0.1 -0.714 91.2 -90.3-111.6 169.9 4.6 51.4 4.4 445 622 A D > - 0 0 49 -435,-0.4 3,-1.4 -2,-0.2 -1,-0.1 -0.406 41.7-106.0 -73.4 161.6 8.1 50.4 3.2 446 623 A D T 3 S+ 0 0 70 1,-0.3 5,-0.3 -2,-0.1 -1,-0.1 0.672 112.0 71.3 -60.7 -22.0 11.0 52.7 4.0 447 624 A D T 3 S+ 0 0 72 3,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.400 71.5 94.6 -87.0 4.9 11.2 54.0 0.4 448 625 A L S < S- 0 0 2 -3,-1.4 -441,-0.2 1,-0.3 -442,-0.1 -0.889 115.1 -14.0 -93.1 116.7 7.9 56.0 0.6 449 626 A L S S- 0 0 0 -443,-2.9 -1,-0.3 -2,-0.7 5,-0.1 0.968 93.6-144.5 50.6 61.5 9.1 59.5 1.4 450 627 A P >> - 0 0 22 0, 0.0 3,-1.9 0, 0.0 4,-1.2 -0.266 9.0-129.9 -58.2 135.9 12.6 58.2 2.4 451 628 A L T 34 S+ 0 0 34 1,-0.3 -4,-0.1 -5,-0.3 -2,-0.0 0.753 105.1 64.9 -63.2 -23.8 14.0 60.2 5.3 452 629 A E T 34 S+ 0 0 106 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.718 114.5 30.0 -67.6 -19.5 17.3 60.7 3.4 453 630 A H T <4 S+ 0 0 76 -3,-1.9 12,-0.8 1,-0.2 2,-0.4 0.522 117.8 53.2-117.4 -11.3 15.4 62.8 0.8 454 631 A W E < -O 464 0I 8 -4,-1.2 2,-0.5 10,-0.2 -1,-0.2 -0.996 55.0-163.6-136.7 134.3 12.6 64.5 2.7 455 632 A I E -O 463 0I 10 8,-2.7 8,-2.5 -2,-0.4 2,-0.3 -0.979 24.3-133.1-116.1 123.3 12.5 66.5 5.9 456 633 A F E -O 462 0I 1 -2,-0.5 -210,-0.0 6,-0.2 4,-0.0 -0.573 12.0-136.1 -78.7 129.9 9.1 66.9 7.6 457 634 A N > - 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