==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-00 1HDH . COMPND 2 MOLECULE: ARYLSULFATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR I.BOLTES,H.CZAPINSKA,A.KAHNERT,R.V.BUELOW,T.DIRKS,B.SCHMIDT, . 1050 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 60 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 10 0 2 0 4 6 0 0 0 0 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 0 2 4 0 2 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 4 4 2 4 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 . 2 2 2 0 0 0 0 0 2 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 3 A K 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.8 48.8 10.7 45.0 2 4 A R - 0 0 99 1,-0.1 414,-0.1 414,-0.1 2,-0.1 -0.317 360.0-119.1 -61.2 136.6 52.5 11.1 44.1 3 5 A P - 0 0 6 0, 0.0 305,-0.2 0, 0.0 2,-0.2 -0.327 14.1-122.9 -77.4 156.5 52.9 12.1 40.4 4 6 A N E -a 308 0A 3 303,-2.7 305,-2.8 300,-0.2 2,-0.4 -0.527 24.2-138.0 -80.2 160.6 54.7 10.3 37.7 5 7 A F E -ab 309 200A 0 194,-2.4 196,-2.9 303,-0.2 2,-0.4 -0.992 17.8-175.9-125.0 138.8 57.5 11.9 35.8 6 8 A L E -ab 310 201A 0 303,-2.6 305,-2.9 -2,-0.4 2,-0.6 -0.952 8.0-175.7-130.9 109.1 58.3 11.9 32.1 7 9 A V E -ab 311 202A 3 194,-2.6 196,-2.9 -2,-0.4 2,-0.4 -0.941 4.9-173.3-112.5 110.4 61.5 13.7 31.2 8 10 A I E -ab 312 203A 0 303,-3.1 305,-1.9 -2,-0.6 2,-0.5 -0.955 1.7-170.0-110.8 125.1 62.1 13.8 27.4 9 11 A V E -ab 313 204A 1 194,-2.0 196,-1.8 -2,-0.4 305,-0.2 -0.990 8.3-155.7-124.0 121.3 65.3 15.2 26.0 10 12 A A E -a 314 0A 0 303,-2.5 305,-1.2 -2,-0.5 2,-0.7 -0.576 22.6-124.8 -82.7 154.4 66.0 16.0 22.3 11 13 A D S S- 0 0 0 196,-2.4 303,-0.1 -2,-0.2 195,-0.0 -0.901 81.9 -22.6-111.6 101.1 69.6 15.9 21.2 12 14 A D S S+ 0 0 1 -2,-0.7 307,-0.6 1,-0.3 -1,-0.2 0.567 87.5 159.2 76.8 14.9 70.7 19.2 19.5 13 15 A L - 0 0 1 194,-0.2 303,-0.3 305,-0.1 -1,-0.3 -0.477 38.3-120.0 -64.6 140.8 67.2 20.2 18.5 14 16 A G > - 0 0 0 303,-0.1 3,-1.4 -2,-0.1 4,-0.5 -0.420 16.2-107.9 -86.5 161.4 66.9 23.9 17.9 15 17 A F T 3 S+ 0 0 6 1,-0.3 3,-0.3 367,-0.2 351,-0.2 0.878 114.3 32.0 -55.4 -45.9 64.8 26.6 19.6 16 18 A S T 3 S+ 0 0 0 349,-1.6 -1,-0.3 1,-0.2 350,-0.1 0.181 90.1 98.8-103.2 17.0 62.3 27.2 16.9 17 19 A D < + 0 0 1 -3,-1.4 8,-0.9 348,-0.2 -1,-0.2 0.896 65.9 76.0 -69.0 -43.2 62.1 23.7 15.3 18 20 A I S > >S- 0 0 0 -4,-0.5 5,-2.5 -3,-0.3 3,-1.6 -0.380 87.6-121.2 -70.2 144.2 58.9 22.5 17.0 19 21 A G G > 5S+ 0 0 12 6,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.905 113.2 52.4 -55.2 -44.6 55.6 23.8 15.7 20 22 A A G 3 5S+ 0 0 6 1,-0.3 -1,-0.3 7,-0.2 -3,-0.1 0.571 109.6 52.2 -72.5 -6.3 54.6 25.4 19.0 21 23 A F G < 5S- 0 0 0 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.086 135.2 -83.0-111.1 19.1 58.0 27.1 19.1 22 24 A G T < 5S+ 0 0 4 -3,-1.9 -3,-0.2 1,-0.3 218,-0.2 0.472 84.6 134.8 102.7 2.5 57.6 28.6 15.6 23 25 A G < - 0 0 14 -5,-2.5 -1,-0.3 -8,-0.1 -6,-0.1 -0.460 54.9-142.2 -94.4 164.2 58.7 25.8 13.3 24 26 A E + 0 0 43 -2,-0.1 2,-0.2 -8,-0.1 -6,-0.1 0.430 69.2 109.4 -92.5 -8.0 57.4 24.2 10.1 25 27 A I S S- 0 0 4 -8,-0.9 2,-0.8 1,-0.1 -6,-0.4 -0.488 81.6-107.6 -76.6 140.0 58.3 20.6 11.1 26 28 A A + 0 0 38 -2,-0.2 263,-0.2 1,-0.1 -1,-0.1 -0.587 56.3 149.9 -71.2 108.6 55.4 18.3 11.9 27 29 A T > + 0 0 1 -2,-0.8 4,-2.7 -4,-0.1 -7,-0.2 -0.461 3.9 155.1-133.8 57.5 55.4 17.9 15.7 28 30 A P H > S+ 0 0 78 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.868 71.5 51.2 -62.2 -34.0 51.8 17.4 16.5 29 31 A N H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.947 114.4 41.5 -69.7 -46.2 52.4 15.5 19.8 30 32 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 111.1 58.3 -68.0 -34.5 54.8 18.0 21.3 31 33 A D H X S+ 0 0 43 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.918 104.4 50.3 -61.4 -41.6 52.6 20.8 20.1 32 34 A A H X S+ 0 0 59 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.912 113.8 45.5 -65.0 -39.2 49.6 19.5 22.0 33 35 A L H X S+ 0 0 11 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.906 114.2 49.6 -64.0 -43.4 51.7 19.2 25.2 34 36 A A H < S+ 0 0 0 -4,-2.7 362,-0.2 2,-0.2 -2,-0.2 0.911 112.1 44.0 -65.7 -46.5 53.3 22.7 24.7 35 37 A I H < S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 119.1 43.4 -77.0 -28.1 50.1 24.7 24.1 36 38 A A H < S+ 0 0 23 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.759 122.4 44.9 -78.0 -28.5 48.3 23.0 26.9 37 39 A G S < S- 0 0 0 -4,-1.8 359,-1.9 358,-0.2 2,-0.5 0.106 104.9 -71.8 -92.3-154.1 51.4 23.3 29.1 38 40 A L E -C 387 0A 1 349,-2.6 349,-1.9 357,-0.2 2,-0.5 -0.951 37.6-151.1-112.1 118.7 53.9 26.0 29.8 39 41 A R E -Cd 386 398A 28 358,-2.3 360,-3.0 -2,-0.5 2,-0.5 -0.819 12.4-150.5 -92.5 131.5 56.4 27.0 27.1 40 42 A L E +Cd 385 399A 0 345,-2.9 345,-0.8 -2,-0.5 360,-0.2 -0.886 23.7 172.6-107.7 130.0 59.7 28.4 28.4 41 43 A T S S+ 0 0 8 358,-2.3 359,-0.2 -2,-0.5 -1,-0.1 0.410 81.2 48.9-110.7 -4.9 61.8 30.9 26.4 42 44 A D S S+ 0 0 22 357,-0.5 361,-2.1 359,-0.4 2,-0.4 -0.117 78.0 125.2-127.3 37.3 64.4 31.6 29.1 43 45 A F E -j 403 0B 0 340,-0.4 340,-2.0 359,-0.2 2,-0.3 -0.823 42.1-161.0 -98.8 134.6 65.4 28.1 30.1 44 46 A H E +jK 404 382B 0 359,-1.7 361,-2.5 -2,-0.4 362,-0.3 -0.910 19.0 175.5-126.2 144.8 69.1 27.2 29.9 45 47 A T - 0 0 1 336,-2.2 2,-0.2 -2,-0.3 271,-0.1 -0.416 46.2 -79.8-115.1-166.2 71.3 24.1 29.7 46 48 A A - 0 0 1 269,-0.4 -1,-0.2 2,-0.3 271,-0.2 -0.419 51.5 -99.7 -89.2 177.6 75.1 23.8 29.2 47 49 A S S S+ 0 0 4 -2,-0.2 327,-2.3 269,-0.1 2,-0.3 0.600 97.6 28.6 -87.0 -8.2 76.4 24.2 25.7 48 50 A T S > S- 0 0 6 325,-0.2 4,-1.8 267,-0.1 -2,-0.3 -0.920 87.9 -92.2-144.3 173.9 76.9 20.5 24.9 49 51 A X H > S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.883 109.7 40.1 -56.6 -63.5 75.3 17.0 25.8 50 52 A S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 113.7 53.1 -70.8 -38.8 77.2 15.4 28.6 51 53 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.963 113.0 46.8 -50.9 -48.4 77.6 18.6 30.7 52 54 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.890 111.2 49.7 -63.4 -40.4 73.8 19.2 30.4 53 55 A R H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.876 107.6 53.8 -69.6 -39.3 72.9 15.7 31.3 54 56 A S H < S+ 0 0 0 -4,-2.4 6,-0.4 -5,-0.2 -1,-0.2 0.867 113.2 44.5 -61.4 -31.7 75.1 15.6 34.4 55 57 A M H >X S+ 0 0 5 -4,-1.4 4,-2.6 -5,-0.2 3,-1.2 0.907 109.6 55.7 -75.2 -45.2 73.3 18.8 35.5 56 58 A L H 3< S+ 0 0 3 -4,-2.7 353,-0.3 1,-0.3 -2,-0.2 0.925 111.9 42.2 -53.6 -49.5 69.8 17.5 34.7 57 59 A L T 3< S+ 0 0 2 -4,-2.3 38,-2.9 1,-0.2 -1,-0.3 0.402 126.2 30.1 -86.3 4.2 70.2 14.4 36.8 58 60 A T T <4 S- 0 0 5 -3,-1.2 -2,-0.2 -4,-0.2 35,-0.2 0.613 88.7-127.0-127.6 -28.1 71.9 16.1 39.9 59 61 A G S < S+ 0 0 0 -4,-2.6 375,-2.3 1,-0.4 376,-1.9 0.528 79.5 90.8 79.7 10.2 70.8 19.7 40.2 60 62 A T S S- 0 0 2 -6,-0.4 -1,-0.4 373,-0.3 -2,-0.2 -0.654 84.8 -73.1-126.0-175.7 74.3 21.0 40.3 61 63 A D >> - 0 0 2 -2,-0.2 4,-1.9 -3,-0.1 3,-1.7 -0.430 35.1-122.5 -80.6 147.9 77.0 22.2 37.8 62 64 A H H 3>>S+ 0 0 3 1,-0.3 5,-1.6 2,-0.2 4,-0.8 0.724 109.0 64.4 -63.7 -22.9 78.8 19.9 35.4 63 65 A H H 345S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.703 110.8 39.0 -73.3 -20.2 82.2 20.9 36.8 64 66 A I H <45S+ 0 0 33 -3,-1.7 -2,-0.2 3,-0.1 -1,-0.2 0.831 113.2 55.2 -85.4 -41.4 81.2 19.4 40.1 65 67 A A H <5S- 0 0 0 -4,-1.9 24,-2.3 1,-0.1 -2,-0.2 0.464 121.6 -88.7 -83.5 -5.5 79.3 16.3 38.7 66 68 A G T <5S+ 0 0 0 -4,-0.8 20,-2.3 17,-0.5 21,-0.8 0.340 105.9 87.9 121.3 -7.2 82.1 14.8 36.6 67 69 A I < + 0 0 2 -5,-1.6 17,-0.2 19,-0.2 -4,-0.1 -0.384 36.7 146.8-114.7 53.2 81.9 16.4 33.1 68 70 A G S S+ 0 0 0 15,-2.3 2,-0.3 -5,-0.2 16,-0.2 0.889 87.5 2.7 -57.8 -38.8 84.1 19.4 33.8 69 71 A T S S- 0 0 12 -3,-0.2 17,-0.2 14,-0.2 -1,-0.1 -0.893 106.2 -79.6-130.1 169.1 85.0 18.9 30.2 70 72 A M > - 0 0 28 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.373 37.4-124.6 -63.6 140.7 83.6 16.3 27.8 71 73 A A G > S+ 0 0 43 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.879 112.8 59.7 -51.8 -35.7 85.2 12.9 28.3 72 74 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 85,-0.0 -2,-0.1 0.560 107.4 47.0 -72.9 -6.9 86.1 13.0 24.6 73 75 A A G < S+ 0 0 38 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.165 80.9 132.9-119.0 11.4 88.2 16.1 25.3 74 76 A L < - 0 0 60 -3,-1.4 -3,-0.0 -4,-0.2 11,-0.0 -0.368 35.8-161.3 -73.0 151.7 90.1 15.1 28.4 75 77 A T >> - 0 0 54 1,-0.1 3,-1.9 -2,-0.0 4,-1.4 -0.889 34.3-109.6-126.0 157.8 93.8 15.7 28.7 76 78 A P T 34 S+ 0 0 102 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.856 119.6 59.8 -51.7 -33.2 96.5 14.3 30.9 77 79 A E T 34 S+ 0 0 149 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 0.752 104.5 47.9 -67.6 -24.2 96.6 17.7 32.6 78 80 A L T X4 S+ 0 0 25 -3,-1.9 3,-2.3 2,-0.1 -1,-0.2 0.699 84.1 112.9 -96.3 -22.1 93.0 17.4 33.6 79 81 A E T 3< S+ 0 0 70 -4,-1.4 6,-0.1 1,-0.3 0, 0.0 -0.185 80.9 21.4 -42.5 134.0 93.3 14.0 35.0 80 82 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 4,-0.1 5,-0.1 0.236 87.3 132.0 84.7 -12.7 92.8 14.0 38.8 81 83 A K X - 0 0 30 -3,-2.3 3,-2.2 3,-0.2 -1,-0.3 -0.575 68.9-107.3 -74.4 129.7 90.9 17.2 38.8 82 84 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -16,-0.1 -0.401 104.6 15.0 -57.3 124.7 87.8 16.8 41.0 83 85 A G T 3 S+ 0 0 0 -2,-0.1 -15,-2.3 -19,-0.1 -17,-0.5 0.314 103.0 91.5 91.8 -2.5 84.8 16.8 38.6 84 86 A Y < + 0 0 7 -3,-2.2 -3,-0.2 -17,-0.2 -4,-0.1 -0.169 45.7 123.0-106.5 35.3 86.8 16.2 35.4 85 87 A E S S- 0 0 57 2,-0.2 -18,-0.2 -5,-0.1 -1,-0.1 0.782 76.7-122.2 -72.1 -20.4 86.4 12.4 35.8 86 88 A G S S+ 0 0 14 -20,-2.3 2,-0.3 1,-0.3 -19,-0.2 0.670 85.4 54.7 87.9 11.8 84.8 12.0 32.4 87 89 A H S S- 0 0 49 -21,-0.8 -1,-0.3 28,-0.1 -2,-0.2 -0.966 106.9 -68.3-162.5 163.3 81.7 10.3 33.8 88 90 A L - 0 0 5 26,-2.6 -22,-0.2 -2,-0.3 -23,-0.1 -0.468 66.5-151.4 -58.1 126.0 79.0 11.0 36.3 89 91 A N - 0 0 6 -24,-2.3 3,-0.5 -2,-0.2 -1,-0.1 -0.134 23.6-107.0-100.7-167.5 81.0 10.8 39.5 90 92 A E S S+ 0 0 123 1,-0.2 -25,-0.1 3,-0.1 -24,-0.1 0.294 102.0 85.3-106.5 11.6 80.4 9.8 43.1 91 93 A R S S+ 0 0 126 -27,-0.2 340,-2.5 339,-0.1 2,-0.3 0.396 96.1 50.0 -82.1 1.2 80.6 13.4 44.4 92 94 A V S S- 0 0 2 -3,-0.5 2,-0.4 338,-0.3 340,-0.1 -0.953 73.5-138.5-135.3 154.6 76.9 13.5 43.4 93 95 A V - 0 0 5 338,-0.4 2,-0.2 -2,-0.3 -3,-0.1 -0.943 29.1-130.1-107.9 138.1 73.8 11.6 43.9 94 96 A A >> - 0 0 0 -2,-0.4 4,-1.7 1,-0.1 3,-0.8 -0.595 15.9-117.7 -88.5 145.7 71.5 11.2 40.8 95 97 A L H 3> S+ 0 0 2 -38,-2.9 4,-2.2 1,-0.3 3,-0.3 0.906 114.7 50.9 -47.4 -51.0 67.8 11.9 40.7 96 98 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.828 105.6 57.7 -62.6 -29.3 66.8 8.3 39.9 97 99 A E H <> S+ 0 0 20 -3,-0.8 4,-1.3 28,-0.4 -2,-0.2 0.913 110.8 42.2 -63.1 -43.3 68.9 7.1 42.8 98 100 A L H < S+ 0 0 3 -4,-1.7 4,-0.3 -3,-0.3 -1,-0.2 0.865 116.5 47.4 -68.9 -38.2 66.9 9.2 45.2 99 101 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.2 -5,-0.2 3,-1.0 0.877 107.8 55.6 -76.5 -35.1 63.5 8.3 43.7 100 102 A R H ><5S+ 0 0 112 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.893 104.3 52.1 -63.5 -38.6 64.2 4.6 43.5 101 103 A E T 3<5S+ 0 0 123 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.586 108.4 55.9 -78.3 -4.2 64.9 4.3 47.2 102 104 A A T < 5S- 0 0 32 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.157 129.5 -87.7-108.9 16.5 61.6 6.1 47.8 103 105 A G T < 5S+ 0 0 26 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.338 81.6 133.8 102.5 -9.4 59.4 3.7 45.9 104 106 A Y < - 0 0 1 -5,-2.2 2,-0.5 -6,-0.1 -1,-0.3 -0.487 54.6-128.2 -76.8 144.5 59.5 5.0 42.3 105 107 A Q E -e 199 0A 7 93,-2.1 95,-2.7 -2,-0.2 2,-0.6 -0.850 24.6-149.2 -83.6 122.7 60.1 2.7 39.4 106 108 A T E +e 200 0A 0 -2,-0.5 23,-1.8 93,-0.2 22,-0.8 -0.890 21.5 174.2-107.8 119.7 63.0 4.2 37.3 107 109 A L E +ef 201 129A 2 93,-2.8 95,-2.3 -2,-0.6 2,-0.3 -0.951 3.1 176.5-127.9 135.8 62.8 3.5 33.6 108 110 A M E +ef 202 130A 0 21,-1.6 23,-1.7 -2,-0.4 2,-0.3 -1.000 13.5 175.0-143.1 141.6 65.0 4.8 30.7 109 111 A A E + f 0 131A 0 93,-2.1 2,-0.3 -2,-0.3 23,-0.2 -0.900 51.8 38.3-142.2 121.2 65.4 4.4 27.0 110 112 A G E S- f 0 132A 0 21,-2.2 23,-1.6 -2,-0.3 2,-0.3 -0.964 89.8 -10.4 148.8-158.8 67.9 6.5 25.0 111 113 A K E - f 0 133A 0 93,-2.8 23,-0.2 -2,-0.3 25,-0.1 -0.579 42.7-178.5 -79.0 136.4 71.3 8.1 25.0 112 114 A W + 0 0 0 21,-3.2 22,-0.2 23,-0.3 -1,-0.1 0.909 6.5 173.4 -96.9 -68.4 73.3 8.1 28.3 113 115 A H + 0 0 17 21,-1.8 3,-0.1 20,-0.4 21,-0.1 0.693 53.8 100.0 64.2 22.1 76.6 9.9 27.6 114 116 A L S S- 0 0 1 1,-0.4 -26,-2.6 20,-0.2 2,-0.2 0.259 92.9 -18.0-121.8 17.2 77.5 9.8 31.4 115 117 A G - 0 0 6 19,-0.5 -1,-0.4 -28,-0.2 -2,-0.2 -0.485 39.9-150.7 150.0 144.3 79.9 6.8 31.4 116 118 A L S S+ 0 0 95 -2,-0.2 18,-0.1 -3,-0.1 5,-0.1 0.630 71.3 87.3-105.9 -18.6 80.9 3.8 29.3 117 119 A K S > S- 0 0 51 1,-0.1 3,-2.4 17,-0.1 4,-0.3 -0.487 88.0-106.8 -90.1 155.3 82.0 1.4 32.1 118 120 A P G > S+ 0 0 83 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.848 118.9 50.9 -47.6 -44.6 79.7 -1.1 34.0 119 121 A E G 3 S+ 0 0 130 1,-0.3 -3,-0.0 5,-0.1 -2,-0.0 0.431 111.3 50.9 -76.3 3.2 79.7 0.9 37.2 120 122 A Q G < S+ 0 0 27 -3,-2.4 -1,-0.3 5,-0.0 -32,-0.2 0.345 86.4 107.4-118.5 4.1 78.8 4.1 35.3 121 123 A T S X> S- 0 0 4 -3,-1.3 4,-1.5 -4,-0.3 3,-0.9 -0.226 86.3-100.2 -80.0 168.3 75.8 2.8 33.3 122 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69.0 -69.9 -8.7 85.5 18.5 8.9 325 327 A A G < S+ 0 0 65 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.583 85.9 74.6 -91.3 -8.0 87.0 21.7 10.4 326 328 A F X - 0 0 104 -3,-1.0 3,-1.8 -4,-0.3 4,-0.4 -0.895 59.9-161.1-112.3 109.8 88.5 20.1 13.5 327 329 A P G > S+ 0 0 111 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.830 90.2 70.3 -56.8 -27.8 91.7 18.1 13.2 328 330 A K G 3 S+ 0 0 70 1,-0.3 -175,-0.1 -175,-0.1 -2,-0.0 0.797 96.9 52.8 -61.0 -22.4 90.9 16.4 16.6 329 331 A F G < S+ 0 0 64 -3,-1.8 -175,-1.9 -6,-0.2 -174,-0.4 0.537 113.7 50.0 -87.0 -10.5 88.0 14.6 14.8 330 332 A G < + 0 0 6 -3,-1.6 -177,-3.0 -4,-0.4 -176,-0.1 0.152 32.2 179.9 -83.6-158.8 90.3 13.3 12.1 331 333 A P S S- 0 0 62 0, 0.0 5,-0.1 0, 0.0 -3,-0.0 0.355 110.2 -30.3 -77.6 150.1 92.4 12.1 10.5 332 334 A D S > S+ 0 0 95 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 0.872 71.1 174.3 49.3 58.6 90.9 12.8 7.1 333 335 A L H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.948 76.4 48.0 -60.1 -50.1 87.2 12.7 8.0 334 336 A L H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 114.0 46.5 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365 367 A A H << S+ 0 0 1 -3,-1.2 -349,-1.6 -4,-0.8 -2,-0.2 0.671 115.1 47.9 -93.3 -18.7 66.9 27.6 14.5 366 368 A T H >< S+ 0 0 5 -4,-1.3 3,-2.1 -351,-0.2 -2,-0.2 0.653 91.7 155.2 -91.1 -18.9 68.7 29.5 17.2 367 369 A A T 3< + 0 0 2 -4,-1.5 3,-0.1 1,-0.4 -351,-0.1 -0.186 56.7 30.2 -51.8 140.1 67.7 33.0 15.9 368 370 A P T 3 S+ 0 0 2 0, 0.0 -114,-2.5 0, 0.0 -1,-0.4 -0.971 110.3 85.6 -86.9 9.0 67.5 35.5 17.2 369 371 A S S < S- 0 0 7 -3,-2.1 2,-0.5 -116,-0.2 126,-0.2 -0.266 85.0 -98.5 -69.8 155.7 70.2 34.3 19.5 370 372 A R S S- 0 0 18 124,-0.4 9,-1.7 -3,-0.1 10,-0.4 -0.618 75.4 -37.9 -74.8 119.0 74.0 34.5 18.9 371 373 A L S S- 0 0 12 -2,-0.5 2,-0.2 -116,-0.3 -53,-0.2 -0.295 70.5-108.7 64.4-143.5 75.7 31.4 17.5 372 374 A Y > + 0 0 36 1,-0.2 3,-1.6 -55,-0.1 8,-0.3 -0.799 58.1 0.3-167.6-172.4 74.8 27.7 18.5 373 375 A K T 3 S+ 0 0 18 -55,-2.5 -1,-0.2 1,-0.3 -53,-0.2 0.015 117.3 24.4 -39.5 140.5 75.9 24.6 20.3 374 376 A A T 3 S+ 0 0 24 -327,-2.3 2,-0.3 6,-0.3 -1,-0.3 0.336 100.3 101.9 77.5 3.0 79.3 24.6 22.1 375 377 A F S < S- 0 0 32 -3,-1.6 -1,-0.3 -328,-0.2 -58,-0.2 -0.828 70.7-137.9-102.1 152.5 79.2 28.4 22.6 376 378 A T S S+ 0 0 1 -2,-0.3 -3,-0.1 99,-0.1 2,-0.1 0.385 74.9 104.7 -91.8 3.3 78.3 30.1 25.9 377 379 A T S >> S- 0 0 0 -5,-0.2 3,-1.7 1,-0.1 4,-1.2 -0.325 97.3 -93.6 -69.0 165.9 76.3 32.7 24.0 378 380 A Q H 3> S+ 0 0 9 1,-0.3 4,-2.6 2,-0.2 -7,-0.1 0.804 123.4 66.6 -58.5 -30.2 72.5 32.3 24.2 379 381 A G H 34 S+ 0 0 2 -9,-1.7 -61,-0.3 1,-0.2 -1,-0.3 0.829 107.0 41.6 -59.4 -28.1 72.5 30.3 20.9 380 382 A G H <4 S+ 0 0 0 -3,-1.7 -63,-2.2 -10,-0.4 -6,-0.3 0.763 127.3 26.4 -86.0 -26.8 74.4 27.6 22.7 381 383 A I H < S+ 0 0 0 -4,-1.2 -336,-2.2 -65,-0.2 2,-0.7 0.547 94.7 86.7-122.1 -12.1 72.6 27.5 26.0 382 384 A R B < +K 44 0B 27 -4,-2.6 -338,-0.2 -338,-0.2 -367,-0.2 -0.835 59.2 172.8 -90.2 121.9 69.0 28.8 25.6 383 385 A V - 0 0 0 -340,-2.0 -340,-0.4 -2,-0.7 2,-0.2 -0.878 36.7 -96.5-128.1 157.3 66.9 25.8 24.6 384 386 A P + 0 0 1 0, 0.0 -70,-1.5 0, 0.0 2,-0.3 -0.467 48.0 169.6 -75.3 143.9 63.2 25.1 24.0 385 387 A A E -CI 40 313A 0 -345,-0.8 -345,-2.9 -72,-0.2 2,-0.3 -0.991 13.6-172.7-150.4 149.1 61.4 23.5 27.0 386 388 A L E -CI 39 312A 0 -74,-2.3 -74,-2.1 -2,-0.3 2,-0.4 -0.990 10.2-155.3-141.1 153.2 57.9 22.8 28.0 387 389 A V E -CI 38 311A 1 -349,-1.9 -349,-2.6 -2,-0.3 2,-0.5 -0.995 8.0-174.4-126.9 122.9 56.1 21.5 31.1 388 390 A R E + I 0 310A 21 -78,-2.6 -78,-2.7 -2,-0.4 -351,-0.1 -0.971 30.0 129.8-119.7 116.8 52.7 19.8 31.0 389 391 A Y > - 0 0 10 -2,-0.5 3,-1.1 -80,-0.2 -80,-0.1 -0.729 40.1-156.1-164.7 98.4 51.1 19.0 34.4 390 392 A P T 3 S+ 0 0 15 0, 0.0 -83,-0.1 0, 0.0 -84,-0.1 0.651 86.5 71.0 -66.8 -10.4 47.5 20.1 34.9 391 393 A R T 3 S+ 0 0 103 -85,-0.4 2,-0.1 525,-0.1 -84,-0.1 0.918 86.6 85.7 -66.6 -34.5 47.7 20.2 38.7 392 394 A L S < S- 0 0 20 -3,-1.1 51,-0.2 1,-0.1 -3,-0.1 -0.311 76.8-140.0 -73.0 144.4 49.9 23.2 38.3 393 395 A S S S+ 0 0 70 49,-0.3 2,-1.5 1,-0.2 50,-0.2 0.902 86.6 74.5 -68.5 -40.8 48.4 26.7 38.0 394 396 A R + 0 0 60 48,-2.8 2,-0.3 47,-0.1 -1,-0.2 -0.615 67.5 125.3 -88.2 89.3 50.8 28.0 35.3 395 397 A Q + 0 0 8 -2,-1.5 -358,-0.2 431,-0.1 -357,-0.2 -0.949 52.6 37.0-138.6 149.5 49.6 26.2 32.2 396 398 A G S S+ 0 0 3 -359,-1.9 2,-0.2 -2,-0.3 -358,-0.2 0.417 98.4 97.2 91.0 1.3 48.5 27.5 28.8 397 399 A A S S- 0 0 37 -360,-0.3 -358,-2.3 -361,-0.1 2,-0.5 -0.646 71.7-120.3-120.8 167.9 51.0 30.3 28.7 398 400 A I E -d 39 0A 44 -2,-0.2 2,-0.4 -360,-0.2 -358,-0.2 -0.970 32.1-160.9-107.4 124.5 54.5 31.3 27.5 399 401 A S E -d 40 0A 16 -360,-3.0 -358,-2.3 -2,-0.5 -357,-0.5 -0.949 23.5-173.5-115.2 131.9 56.9 32.2 30.2 400 402 A H + 0 0 126 -2,-0.4 2,-0.2 -360,-0.2 -1,-0.1 0.117 43.9 135.7-104.0 16.5 60.1 34.2 29.9 401 403 A A - 0 0 15 1,-0.1 -359,-0.4 46,-0.1 -2,-0.1 -0.403 64.8-104.4 -64.3 134.2 61.1 33.5 33.5 402 404 A F + 0 0 20 -2,-0.2 47,-0.5 48,-0.1 2,-0.3 -0.357 54.7 156.0 -61.7 133.6 64.7 32.6 34.0 403 405 A A E -j 43 0B 0 -361,-2.1 -359,-1.7 45,-0.1 2,-0.3 -0.986 21.8-159.2-152.2 155.3 65.2 28.9 34.6 404 406 A T E > -j 44 0B 5 -2,-0.3 3,-2.4 -361,-0.2 4,-0.2 -0.954 36.5-107.1-138.2 166.5 68.0 26.3 34.1 405 407 A V G > S+ 0 0 0 -361,-2.5 3,-1.3 -2,-0.3 4,-0.5 0.722 113.7 69.7 -58.6 -23.3 68.4 22.5 33.8 406 408 A M G 3 S+ 0 0 8 -362,-0.3 29,-0.5 1,-0.3 -1,-0.3 0.663 89.5 65.0 -73.0 -12.9 69.8 22.5 37.4 407 409 A D G <> S+ 0 0 1 -3,-2.4 4,-1.9 28,-0.2 31,-0.4 0.632 84.1 76.5 -79.5 -13.7 66.3 23.3 38.6 408 410 A V H <> S+ 0 0 2 -3,-1.3 4,-2.8 -4,-0.2 5,-0.3 0.937 91.2 47.9 -72.2 -47.9 64.8 20.0 37.4 409 411 A T H > S+ 0 0 1 -4,-0.5 4,-2.7 -353,-0.3 5,-0.3 0.953 113.8 47.0 -60.1 -51.0 66.1 17.7 40.2 410 412 A P H > S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.915 113.9 50.2 -55.9 -39.6 65.0 20.0 43.0 411 413 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 25,-0.2 -2,-0.2 0.935 112.3 44.5 -65.6 -47.2 61.6 20.4 41.4 412 414 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.876 112.6 52.0 -69.5 -35.8 60.9 16.7 40.8 413 415 A L H X>S+ 0 0 6 -4,-2.7 5,-2.5 -5,-0.3 4,-0.7 0.932 109.4 51.1 -60.3 -46.5 62.1 15.9 44.4 414 416 A D H ><5S+ 0 0 84 -4,-2.2 3,-1.1 -5,-0.3 -2,-0.2 0.918 112.3 45.3 -54.5 -49.4 59.7 18.5 45.7 415 417 A L H 3<5S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 112.4 51.9 -66.9 -32.5 56.8 17.0 43.7 416 418 A A H 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.539 109.2-122.8 -77.4 -10.5 57.8 13.5 44.8 417 419 A G T <<5 + 0 0 71 -3,-1.1 2,-0.5 -4,-0.7 -3,-0.2 0.715 68.2 136.3 69.0 25.7 57.9 14.5 48.5 418 420 A V < - 0 0 25 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.926 48.9-139.0-109.1 119.6 61.5 13.3 48.7 419 421 A R - 0 0 85 -2,-0.5 -5,-0.0 -3,-0.1 0, 0.0 -0.518 24.7-111.2 -73.2 141.0 64.1 15.5 50.5 420 422 A H - 0 0 40 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.586 32.6-125.5 -60.8 132.3 67.5 15.9 49.0 421 423 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.569 38.1-132.2 -66.1 -10.4 69.7 13.9 51.5 422 424 A G - 0 0 17 1,-0.2 3,-0.0 9,-0.1 0, 0.0 -0.840 61.3 -19.7 100.3-134.2 72.1 16.9 52.1 423 425 A K S S+ 0 0 146 -2,-0.4 7,-2.4 -3,-0.1 2,-0.4 0.414 123.4 54.3 -98.1 -3.6 75.9 16.5 52.1 424 426 A R E +L 429 0C 77 -3,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.994 52.1 164.7-131.9 143.8 76.1 12.7 52.6 425 427 A W E > S-L 428 0C 28 3,-2.3 3,-1.2 -2,-0.4 -3,-0.0 -0.948 71.4 -4.4-155.4 132.9 74.6 9.8 50.8 426 428 A R T 3 S- 0 0 196 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.829 130.1 -53.7 49.7 40.1 75.6 6.1 50.9 427 429 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.720 117.6 97.4 75.5 24.4 78.5 6.9 53.2 428 430 A R E < S-L 425 0C 47 -3,-1.2 -3,-2.3 -337,-0.0 2,-0.3 -0.981 77.4 -98.0-141.2 160.9 80.1 9.5 51.0 429 431 A E E +L 424 0C 99 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.555 46.0 178.9 -70.4 132.3 80.3 13.2 50.5 430 432 A I - 0 0 6 -7,-2.4 -338,-0.3 -2,-0.3 2,-0.2 -0.942 27.1-104.4-135.5 159.9 78.0 14.6 47.9 431 433 A A - 0 0 23 -340,-2.5 -338,-0.4 -2,-0.3 -9,-0.1 -0.494 26.1-133.4 -79.5 152.5 77.1 17.9 46.4 432 434 A E - 0 0 93 -2,-0.2 -9,-0.1 1,-0.1 -373,-0.0 -0.753 39.4 -85.5-101.0 151.2 73.9 19.8 47.1 433 435 A P - 0 0 40 0, 0.0 -373,-0.3 0, 0.0 -374,-0.1 -0.165 24.6-163.7 -61.7 145.9 71.9 21.4 44.3 434 436 A R S S+ 0 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