==== 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 27-AUG-09 3IT2 . COMPND 2 MOLECULE: ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. HOLARCTI . AUTHOR H.SINGH,R.L.FELTS,T.J.REILLY,J.J.TANNER . 656 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 9.0 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 24 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 0 0 2 0 4 2 0 0 4 0 2 0 4 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 PARALLEL BRIDGES PER LADDER . 3 5 0 0 0 0 0 4 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 . 1 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 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 6 A S 0 0 102 0, 0.0 2,-0.4 0, 0.0 286,-0.2 0.000 360.0 360.0 360.0 144.2 8.4 7.6 25.6 2 7 A K E -A 286 0A 56 284,-1.9 284,-2.7 58,-0.0 2,-0.3 -0.978 360.0-114.9-129.2 141.3 5.6 9.4 23.7 3 8 A L E +A 285 0A 15 -2,-0.4 282,-0.3 282,-0.2 3,-0.1 -0.591 37.7 167.3 -71.9 129.4 5.6 11.2 20.4 4 9 A I E + 0 0 42 280,-3.0 2,-0.3 1,-0.3 281,-0.2 0.535 57.1 11.3-122.5 -12.1 4.9 14.9 20.9 5 10 A F E -A 284 0A 0 279,-1.2 279,-2.7 2,-0.0 -1,-0.3 -0.979 52.1-163.8-164.9 150.9 5.8 16.6 17.6 6 11 A V E -Ab 283 249A 0 242,-1.6 244,-1.9 -2,-0.3 2,-0.4 -0.995 4.4-164.1-140.7 137.3 6.6 15.9 13.9 7 12 A S E -Ab 282 250A 0 275,-2.1 275,-3.1 -2,-0.3 2,-0.3 -0.992 22.4-173.4-117.4 131.1 8.1 18.0 11.1 8 13 A M E -Ab 281 251A 0 242,-2.8 244,-3.1 -2,-0.4 2,-0.4 -0.926 18.8-166.4-130.6 144.0 7.6 16.7 7.6 9 14 A I E -Ab 280 252A 0 271,-2.3 271,-2.3 -2,-0.3 2,-0.3 -0.980 13.2-170.7-121.1 139.9 8.6 17.5 4.0 10 15 A T E -Ab 279 253A 0 242,-1.7 244,-2.6 -2,-0.4 2,-0.4 -0.955 21.1-135.9-121.5 152.0 7.0 16.0 0.8 11 16 A R E - b 0 254A 21 267,-2.6 244,-0.3 -2,-0.3 266,-0.0 -0.805 41.6-108.4 -87.7 146.2 7.8 16.0 -2.8 12 17 A H - 0 0 7 242,-1.3 265,-2.0 -2,-0.4 266,-0.3 -0.110 37.8 -99.6 -66.4 172.7 4.7 16.7 -4.9 13 18 A G - 0 0 0 66,-0.4 26,-0.2 263,-0.2 -1,-0.1 -0.158 60.6 -42.2 -86.4-177.7 3.0 14.0 -7.0 14 19 A D + 0 0 1 24,-0.1 22,-2.2 21,-0.1 25,-0.4 -0.150 67.0 179.4 -42.9 131.1 3.0 13.1 -10.7 15 20 A R B -H 35 0B 34 20,-0.3 20,-0.2 -3,-0.1 17,-0.1 -0.998 35.5 -95.4-145.8 143.7 2.9 16.3 -12.9 16 21 A A - 0 0 0 18,-2.2 17,-2.7 -2,-0.3 165,-0.1 -0.387 51.9-111.6 -60.2 128.5 2.9 17.2 -16.6 17 22 A P - 0 0 0 0, 0.0 17,-0.1 0, 0.0 16,-0.1 -0.184 9.0-142.2 -59.8 150.8 6.5 18.0 -17.8 18 23 A F S S+ 0 0 64 14,-0.2 2,-0.1 15,-0.1 14,-0.1 0.847 88.6 54.9 -76.5 -38.0 7.5 21.5 -18.7 19 24 A A S S- 0 0 33 158,-0.2 2,-0.3 -3,-0.0 159,-0.0 -0.417 73.0-159.6 -88.2 166.1 9.7 20.1 -21.5 20 25 A N - 0 0 56 -2,-0.1 2,-0.6 5,-0.0 3,-0.1 -0.991 25.9-106.0-144.9 158.4 8.6 17.8 -24.3 21 26 A I > - 0 0 3 -2,-0.3 3,-1.6 1,-0.2 5,-0.3 -0.724 26.9-149.6 -83.7 119.9 10.2 15.4 -26.8 22 27 A E T 3 S+ 0 0 132 -2,-0.6 144,-0.2 1,-0.3 -1,-0.2 0.882 92.7 49.7 -60.2 -42.2 10.2 17.1 -30.2 23 28 A N T 3 S+ 0 0 92 142,-2.6 171,-0.4 -3,-0.1 2,-0.3 0.159 105.3 70.7 -88.2 20.7 10.0 13.8 -32.2 24 29 A A S < S- 0 0 27 -3,-1.6 168,-0.0 141,-0.2 2,-0.0 -0.868 72.5-137.3-127.0 165.0 7.0 12.5 -30.2 25 30 A N + 0 0 105 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.357 40.4 161.9-118.3 53.3 3.4 13.5 -29.9 26 31 A Y - 0 0 23 -5,-0.3 2,-0.3 164,-0.0 -2,-0.1 -0.568 16.1-175.1 -77.0 131.4 2.8 13.3 -26.1 27 32 A S - 0 0 94 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.913 11.9-154.6-117.1 156.6 -0.1 15.0 -24.5 28 33 A W - 0 0 18 2,-0.4 3,-0.1 -2,-0.3 -12,-0.1 0.421 31.4-116.5-118.3 -1.1 -0.5 15.0 -20.7 29 34 A G S S+ 0 0 82 1,-0.1 2,-0.3 7,-0.1 -2,-0.0 0.453 94.1 43.9 76.5 -2.9 -4.2 15.4 -19.7 30 35 A T S S- 0 0 23 4,-0.1 -2,-0.4 366,-0.1 -1,-0.1 -0.939 100.2 -71.0-155.3 178.4 -3.4 18.8 -18.0 31 36 A E > - 0 0 94 -2,-0.3 3,-2.1 1,-0.2 -15,-0.3 -0.379 69.1 -75.9 -74.0 154.9 -1.5 22.0 -18.6 32 37 A L T 3 S+ 0 0 91 1,-0.3 -14,-0.2 -14,-0.1 -1,-0.2 -0.200 117.5 11.5 -51.3 136.9 2.3 21.9 -18.4 33 38 A S T 3 S+ 0 0 36 -17,-2.7 46,-0.3 1,-0.2 -1,-0.3 0.300 96.5 129.7 79.1 -8.1 3.7 21.7 -14.9 34 39 A E < - 0 0 12 -3,-2.1 -18,-2.2 -17,-0.1 -1,-0.2 -0.522 66.8-104.9 -81.9 147.2 0.3 20.9 -13.3 35 40 A L B -H 15 0B 3 -20,-0.2 -20,-0.3 -2,-0.2 -4,-0.1 -0.490 38.9-138.9 -63.5 133.3 -0.4 18.0 -10.9 36 41 A T > - 0 0 1 -22,-2.2 4,-2.2 -2,-0.2 5,-0.2 -0.385 25.4-102.9 -86.5 169.8 -2.2 15.2 -12.7 37 42 A P H > S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.884 126.3 55.7 -59.6 -36.9 -5.1 13.2 -11.2 38 43 A I H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -24,-0.1 0.919 107.4 49.8 -57.5 -43.6 -2.5 10.4 -10.7 39 44 A G H > S+ 0 0 0 -25,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.883 108.3 51.7 -64.0 -40.9 -0.4 12.9 -8.7 40 45 A M H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.919 110.1 50.1 -60.6 -42.9 -3.4 13.9 -6.6 41 46 A N H X S+ 0 0 38 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.871 106.3 55.1 -65.0 -38.1 -4.1 10.3 -5.8 42 47 A Q H X S+ 0 0 60 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.939 112.3 42.8 -60.1 -47.9 -0.5 9.6 -4.8 43 48 A E H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.890 111.5 54.2 -68.0 -40.0 -0.6 12.4 -2.2 44 49 A Y H X S+ 0 0 27 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.929 108.7 49.6 -59.1 -44.6 -4.0 11.5 -1.0 45 50 A N H X S+ 0 0 75 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.865 107.8 53.2 -65.0 -35.5 -2.8 7.9 -0.3 46 51 A L H X S+ 0 0 23 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.926 106.6 54.1 -62.2 -44.2 0.2 9.3 1.6 47 52 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.899 107.3 50.1 -52.3 -45.8 -2.3 11.3 3.7 48 53 A L H X S+ 0 0 39 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.902 110.2 49.9 -62.0 -42.2 -4.1 8.1 4.5 49 54 A Q H X S+ 0 0 53 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.908 110.1 50.9 -63.6 -41.1 -0.9 6.4 5.5 50 55 A L H X>S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 5,-0.6 0.840 107.1 54.0 -64.8 -34.2 0.0 9.3 7.7 51 56 A R H X>S+ 0 0 35 -4,-2.0 5,-2.4 1,-0.2 4,-1.7 0.949 107.6 49.8 -64.9 -46.2 -3.4 9.1 9.4 52 57 A K H <>S+ 0 0 122 -4,-2.1 5,-1.6 3,-0.2 -2,-0.2 0.871 119.8 39.0 -60.5 -32.4 -2.9 5.5 10.3 53 58 A R H <>S+ 0 0 49 -4,-1.6 5,-2.5 3,-0.2 6,-0.3 0.975 126.7 25.9 -83.0 -59.4 0.6 6.4 11.7 54 59 A Y H <5S+ 0 0 0 -4,-2.9 7,-1.8 3,-0.2 6,-1.5 0.692 134.0 30.2 -88.3 -18.3 0.2 9.7 13.5 55 60 A I T < - 0 0 71 -4,-0.1 3,-1.9 294,-0.0 4,-0.3 -0.866 26.9-113.9 -94.8 124.7 -7.9 20.7 15.7 67 72 A D T 3 S+ 0 0 32 -2,-0.6 47,-0.0 1,-0.3 297,-0.0 -0.305 99.8 15.4 -59.9 138.0 -7.4 24.3 14.4 68 73 A Q T 3 S+ 0 0 73 2,-0.3 -1,-0.3 293,-0.1 178,-0.1 0.575 95.3 109.3 71.6 15.4 -3.8 25.5 14.8 69 74 A S S < S+ 0 0 8 -3,-1.9 179,-2.8 1,-0.2 180,-1.4 0.730 78.0 38.8 -90.4 -24.6 -2.5 22.0 15.4 70 75 A I E -c 249 0A 4 -4,-0.3 2,-0.5 177,-0.2 -2,-0.3 -0.993 66.9-156.4-128.9 129.0 -0.8 21.7 12.0 71 76 A Y E -c 250 0A 46 178,-2.5 180,-2.7 -2,-0.4 2,-0.5 -0.915 15.7-168.3-101.9 124.0 1.2 24.4 10.2 72 77 A V E +c 251 0A 2 -2,-0.5 45,-2.5 43,-0.4 2,-0.4 -0.956 8.6 177.0-119.7 127.9 1.4 23.9 6.5 73 78 A L E -cd 252 117A 5 178,-2.6 180,-2.8 -2,-0.5 2,-0.3 -0.995 6.5-171.8-132.3 130.4 3.8 25.9 4.1 74 79 A S E -cd 253 118A 0 43,-2.7 45,-2.8 -2,-0.4 180,-0.2 -0.874 27.9-108.8-121.3 152.4 4.2 25.4 0.4 75 80 A S - 0 0 1 178,-1.8 2,-1.9 -2,-0.3 6,-0.1 -0.322 52.5 -92.1 -65.7 164.2 6.5 26.6 -2.4 76 81 A H S S+ 0 0 57 44,-0.4 2,-0.3 51,-0.1 -1,-0.1 -0.427 89.1 104.8 -86.4 62.1 4.8 29.0 -4.8 77 82 A T S > S- 0 0 15 -2,-1.9 4,-1.9 1,-0.1 5,-0.2 -0.986 72.8-127.0-135.8 152.2 3.6 26.4 -7.4 78 83 A N H > S+ 0 0 36 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.919 109.4 55.4 -60.4 -40.7 0.3 24.9 -8.3 79 84 A R H > S+ 0 0 43 -46,-0.3 4,-1.6 1,-0.2 -66,-0.4 0.853 109.6 44.1 -67.2 -35.0 1.7 21.4 -8.0 80 85 A T H > S+ 0 0 0 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.879 115.7 47.1 -76.9 -37.6 3.0 21.8 -4.5 81 86 A V H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.961 115.8 44.6 -63.9 -51.1 -0.1 23.6 -3.2 82 87 A V H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.862 111.0 55.6 -63.3 -34.9 -2.4 21.0 -4.8 83 88 A S H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.920 109.5 45.8 -62.4 -44.0 -0.2 18.2 -3.5 84 89 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.931 112.6 50.3 -63.9 -45.3 -0.5 19.5 0.1 85 90 A Q H X S+ 0 0 14 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.914 112.2 48.4 -55.3 -44.9 -4.3 19.9 -0.3 86 91 A S H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.897 111.4 48.8 -65.2 -43.3 -4.5 16.3 -1.6 87 92 A L H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-1.5 0.917 110.2 50.8 -62.3 -44.4 -2.4 14.9 1.2 88 93 A L H 3X S+ 0 0 9 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.788 101.6 62.3 -66.6 -25.5 -4.5 16.7 3.8 89 94 A M H 3< S+ 0 0 8 -4,-1.3 5,-0.4 -5,-0.2 -1,-0.3 0.632 110.0 42.0 -71.2 -15.0 -7.6 15.3 2.2 90 95 A G H <4 S+ 0 0 0 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.817 113.3 49.6 -93.9 -44.7 -6.1 11.9 3.1 91 96 A L H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.899 131.9 19.0 -61.6 -42.2 -4.9 12.9 6.6 92 97 A Y S < S- 0 0 0 -4,-2.6 20,-0.5 -5,-0.2 -1,-0.3 -0.756 96.2-171.1-130.9 82.7 -8.3 14.3 7.5 93 98 A P > - 0 0 12 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.100 35.7 -65.9 -79.5 167.4 -10.7 12.8 4.9 94 99 A A T 3 S+ 0 0 3 -5,-0.4 16,-0.2 1,-0.3 17,-0.2 -0.211 121.5 42.5 -43.5 138.1 -14.3 13.4 3.9 95 100 A G T 3 S+ 0 0 36 14,-1.2 -1,-0.3 15,-0.6 15,-0.1 0.090 102.5 69.9 104.0 -21.3 -16.5 12.4 6.8 96 101 A T S < S+ 0 0 15 -3,-2.1 -31,-0.2 14,-0.5 -2,-0.2 0.515 71.9 110.4-106.1 -9.4 -14.3 14.0 9.5 97 102 A G S S- 0 0 0 13,-2.2 15,-0.2 -4,-0.3 14,-0.1 -0.035 76.0 -65.8 -67.6 173.8 -14.8 17.7 8.8 98 103 A P - 0 0 23 0, 0.0 8,-2.2 0, 0.0 9,-0.5 -0.045 42.4-146.0 -67.9 159.0 -16.7 20.2 11.0 99 104 A L E -I 105 0C 68 6,-0.2 2,-0.3 7,-0.1 269,-0.1 -0.856 7.8-163.3-119.7 152.7 -20.4 20.2 11.8 100 105 A I E > -I 104 0C 34 4,-3.2 4,-2.5 -2,-0.3 3,-0.1 -0.849 59.4 -6.3-126.0 169.6 -22.9 23.0 12.4 101 106 A G T 4 S- 0 0 84 -2,-0.3 2,-1.1 1,-0.2 -2,-0.1 -0.179 131.8 -3.5 50.0-129.0 -26.3 23.0 14.0 102 107 A D T 4 S- 0 0 92 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 -0.489 126.8 -59.1 -96.5 64.0 -27.5 19.5 14.9 103 108 A G T 4 S+ 0 0 47 -2,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.922 92.1 148.3 62.1 44.2 -24.7 17.5 13.4 104 109 A D E < -I 100 0C 97 -4,-2.5 -4,-3.2 1,-0.0 -1,-0.2 -0.891 53.9 -99.3-104.7 143.9 -25.1 18.8 9.9 105 110 A P E -I 99 0C 58 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.301 15.2-149.0 -66.5 141.0 -22.0 19.1 7.7 106 111 A A S S+ 0 0 0 -8,-2.2 2,-0.3 1,-0.2 268,-0.2 0.839 91.4 19.9 -70.7 -33.4 -20.4 22.6 7.3 107 112 A I S > S- 0 0 2 -9,-0.5 3,-2.3 4,-0.2 4,-0.3 -0.985 107.5 -79.3-138.4 141.9 -19.4 21.5 3.8 108 113 A K G > S+ 0 0 84 -2,-0.3 3,-0.7 1,-0.3 316,-0.2 -0.104 117.3 7.3 -44.9 131.8 -20.8 18.8 1.6 109 114 A D G 3 S- 0 0 67 1,-0.2 -14,-1.2 -15,-0.1 -1,-0.3 0.626 121.0 -84.8 66.5 16.0 -19.4 15.3 2.5 110 115 A R G < - 0 0 63 -3,-2.3 -13,-2.2 -16,-0.2 -15,-0.6 0.914 63.4-174.7 54.7 48.0 -17.8 16.9 5.6 111 116 A F < - 0 0 1 -3,-0.7 -4,-0.2 -4,-0.3 -5,-0.1 -0.420 19.1-133.4 -64.0 151.3 -14.6 18.0 3.9 112 117 A Q - 0 0 12 -20,-0.5 2,-0.3 -15,-0.2 -20,-0.1 -0.928 11.6-146.9-114.5 109.0 -12.1 19.4 6.4 113 118 A P + 0 0 1 0, 0.0 299,-0.1 0, 0.0 257,-0.0 -0.581 18.3 179.8 -73.4 134.4 -10.5 22.7 5.4 114 119 A I - 0 0 3 -2,-0.3 -26,-0.1 297,-0.1 -2,-0.0 -0.981 30.6-116.2-134.5 121.9 -6.9 23.1 6.7 115 120 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 -43,-0.4 -0.255 25.4-165.8 -66.9 142.1 -5.0 26.3 5.8 116 121 A I - 0 0 5 292,-0.1 2,-0.3 -45,-0.1 -43,-0.2 -0.997 6.0-155.4-124.0 124.6 -2.0 26.2 3.5 117 122 A M E -d 73 0A 5 -45,-2.5 -43,-2.7 -2,-0.4 2,-0.4 -0.733 10.3-144.0 -93.3 149.4 0.3 29.2 3.3 118 123 A T E -d 74 0A 6 -2,-0.3 -43,-0.2 -45,-0.2 -42,-0.1 -0.945 5.7-134.8-115.3 138.1 2.5 29.8 0.2 119 124 A L - 0 0 28 -45,-2.8 328,-0.2 -2,-0.4 2,-0.1 -0.302 38.9 -94.0 -66.1 163.8 6.0 31.3 0.0 120 125 A S > - 0 0 67 1,-0.1 3,-1.3 326,-0.1 -44,-0.4 -0.434 33.8-111.3 -71.4 160.6 6.7 33.9 -2.6 121 126 A A T 3 S+ 0 0 63 1,-0.2 -1,-0.1 -46,-0.1 -2,-0.0 0.733 119.0 58.9 -63.7 -21.4 8.2 32.6 -5.9 122 127 A D T 3 S+ 0 0 130 7,-0.1 -1,-0.2 6,-0.1 2,-0.1 0.568 80.5 113.8 -84.7 -11.9 11.4 34.4 -4.9 123 128 A 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166 171 A G < + 0 0 23 -4,-2.6 -1,-0.1 1,-0.3 -4,-0.1 -0.249 67.5 114.9 89.9 -43.8 15.0 16.0 -31.8 167 172 A N S S- 0 0 19 -2,-0.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.229 81.9 -96.8 -56.3 142.5 15.7 17.8 -28.5 168 173 A R - 0 0 149 -3,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.428 41.1-174.7 -59.2 131.7 19.2 19.1 -28.2 169 174 A I + 0 0 4 -2,-0.1 -7,-0.2 -3,-0.1 3,-0.1 -0.870 29.3 135.4-131.3 100.2 21.4 16.7 -26.2 170 175 A S - 0 0 79 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.290 69.8 -1.1-129.7 7.9 24.8 18.1 -25.6 171 176 A G S >> S- 0 0 10 -13,-0.1 4,-1.3 1,-0.1 3,-0.6 -0.969 85.6 -77.6-177.5 179.0 25.5 17.2 -21.9 172 177 A L H 3> S+ 0 0 5 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.809 121.5 63.9 -65.6 -30.6 24.0 15.6 -18.8 173 178 A N H 3> S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.899 105.0 46.4 -56.8 -39.2 21.8 18.6 -18.1 174 179 A D H <> S+ 0 0 14 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.816 109.7 53.5 -73.6 -33.8 20.0 17.9 -21.4 175 180 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.905 107.8 50.6 -65.4 -42.3 19.7 14.2 -20.5 176 181 A I H X S+ 0 0 28 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.876 108.4 54.7 -62.1 -37.8 18.1 15.0 -17.2 177 182 A T H X S+ 0 0 58 -4,-1.5 4,-0.9 2,-0.2 3,-0.3 0.943 114.0 37.2 -61.8 -52.2 15.7 17.3 -19.1 178 183 A V H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.830 109.2 67.4 -72.0 -28.5 14.5 14.6 -21.5 179 184 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.876 96.3 52.6 -57.1 -41.3 14.7 12.0 -18.6 180 185 A D H X S+ 0 0 29 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.897 108.1 51.9 -63.0 -38.0 11.8 13.7 -16.7 181 186 A V H X S+ 0 0 1 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.904 109.9 48.2 -64.8 -40.5 9.7 13.5 -19.8 182 187 A L H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.858 108.2 55.6 -71.3 -33.8 10.4 9.8 -20.3 183 188 A I H X S+ 0 0 43 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.922 113.5 40.0 -59.5 -45.9 9.6 9.2 -16.6 184 189 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.904 113.5 54.2 -73.3 -40.3 6.2 10.8 -16.9 185 190 A A H <>S+ 0 0 2 -4,-2.6 5,-2.6 1,-0.2 3,-0.3 0.936 111.4 45.9 -56.7 -47.7 5.5 9.2 -20.3 186 191 A Q H ><5S+ 0 0 123 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.913 109.4 54.2 -61.2 -44.7 6.3 5.8 -18.8 187 192 A A H 3<5S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 111.3 47.0 -60.3 -28.2 4.1 6.5 -15.8 188 193 A H T 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.281 116.4-113.2 -98.9 9.0 1.2 7.3 -18.1 189 194 A G T < 5 + 0 0 67 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.759 59.7 157.1 68.5 28.3 1.7 4.2 -20.3 190 195 A K < - 0 0 59 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.571 44.9-104.6 -85.5 149.0 2.8 6.1 -23.5 191 196 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.267 40.4 -99.0 -65.1 157.0 4.8 4.4 -26.2 192 197 A L - 0 0 62 1,-0.1 3,-0.1 4,-0.1 6,-0.1 -0.418 49.3 -86.9 -70.2 151.5 8.5 5.2 -26.6 193 198 A P > - 0 0 7 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.296 60.2 -85.0 -53.5 144.2 9.6 7.7 -29.2 194 199 A K T 3 S+ 0 0 196 -171,-0.4 3,-0.1 1,-0.3 -171,-0.0 -0.299 116.9 13.4 -52.8 128.1 10.2 6.1 -32.6 195 200 A G T 3 S+ 0 0 68 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.344 95.3 119.8 86.9 -9.6 13.7 4.6 -32.8 196 201 A L < - 0 0 8 -3,-2.3 -1,-0.2 -32,-0.1 -4,-0.1 -0.828 55.9-145.7 -90.3 112.8 14.3 4.9 -29.0 197 202 A S > - 0 0 56 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.325 21.0-116.4 -74.1 158.7 15.0 1.4 -27.6 198 203 A Q H > S+ 0 0 96 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 118.0 55.0 -61.3 -37.4 13.9 0.4 -24.1 199 204 A E H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 108.8 47.2 -61.2 -43.2 17.5 0.0 -23.2 200 205 A D H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 112.1 49.9 -65.0 -42.3 18.2 3.6 -24.3 201 206 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.927 110.7 49.9 -60.6 -45.4 15.2 4.9 -22.4 202 207 A D H X S+ 0 0 83 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.908 110.7 49.8 -58.9 -43.4 16.3 3.0 -19.2 203 208 A Q H X S+ 0 0 73 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.910 109.6 50.2 -65.3 -43.9 19.8 4.5 -19.5 204 209 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.905 113.5 46.6 -59.8 -42.7 18.5 8.0 -19.9 205 210 A I H X S+ 0 0 24 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.898 110.9 51.3 -67.7 -40.2 16.3 7.6 -16.9 206 211 A A H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.883 109.5 50.3 -65.0 -38.2 19.1 6.1 -14.8 207 212 A L H X S+ 0 0 19 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.863 108.6 54.0 -65.8 -35.8 21.4 9.0 -15.7 208 213 A T H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.932 111.7 42.9 -62.5 -47.8 18.6 11.4 -14.6 209 214 A D H X S+ 0 0 61 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.896 115.3 50.2 -66.6 -41.3 18.3 9.7 -11.2 210 215 A W H X S+ 0 0 66 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.948 111.0 50.0 -59.1 -48.2 22.1 9.5 -10.9 211 216 A G H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.897 109.6 48.0 -61.1 -47.2 22.5 13.2 -11.8 212 217 A L H X S+ 0 0 19 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.909 116.0 44.4 -63.3 -41.9 19.9 14.6 -9.4 213 218 A A H >< S+ 0 0 2 -4,-1.8 3,-1.1 -5,-0.2 4,-0.3 0.900 108.7 57.3 -68.3 -40.1 21.3 12.6 -6.5 214 219 A Q H >< S+ 0 0 37 -4,-2.7 3,-1.4 1,-0.3 4,-0.4 0.857 95.3 65.8 -59.9 -38.3 24.9 13.4 -7.3 215 220 A Q H 3< S+ 0 0 3 -4,-1.7 3,-0.4 1,-0.3 -1,-0.3 0.827 107.3 40.9 -51.2 -34.6 24.2 17.1 -7.1 216 221 A F T << S+ 0 0 3 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50.1 -63.1 -43.3 -27.4 49.2 24.1 530 206 B A H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.936 111.0 48.7 -60.5 -47.2 -26.1 46.2 22.2 531 207 B D H X S+ 0 0 86 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.915 111.3 51.5 -56.3 -44.7 -27.9 47.2 19.1 532 208 B Q H X S+ 0 0 75 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 109.3 48.6 -60.2 -46.8 -26.5 50.7 19.5 533 209 B I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.913 113.7 47.5 -61.5 -42.7 -22.9 49.5 19.8 534 210 B I H X S+ 0 0 37 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.890 110.3 51.5 -67.2 -39.2 -23.4 47.3 16.7 535 211 B A H X S+ 0 0 53 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.901 109.7 49.7 -64.8 -40.5 -24.9 50.1 14.7 536 212 B L H X S+ 0 0 13 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.858 108.9 54.4 -64.4 -35.1 -22.0 52.4 15.6 537 213 B T H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.932 111.5 42.4 -62.9 -47.8 -19.6 49.6 14.5 538 214 B D H X S+ 0 0 62 -4,-2.2 4,-1.9 2,-0.2 64,-0.3 0.899 115.8 50.2 -67.5 -41.1 -21.2 49.3 11.1 539 215 B W H X S+ 0 0 64 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.959 110.9 50.3 -57.9 -50.6 -21.4 53.1 10.7 540 216 B G H X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.903 110.2 46.9 -57.4 -50.4 -17.8 53.4 11.7 541 217 B L H X S+ 0 0 19 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.917 116.0 45.1 -60.8 -44.1 -16.4 50.9 9.3 542 218 B A H >< S+ 0 0 2 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.890 108.5 57.1 -66.4 -39.1 -18.4 52.3 6.4 543 219 B Q H >< S+ 0 0 35 -4,-2.7 3,-1.4 1,-0.3 4,-0.4 0.858 95.2 66.3 -62.3 -36.1 -17.6 55.9 7.2 544 220 B Q H 3< S+ 0 0 2 -4,-1.7 3,-0.4 1,-0.3 -1,-0.3 0.822 106.9 40.6 -52.8 -33.7 -13.8 55.2 7.0 545 221 B F T << S+ 0 0 2 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.297 83.7 91.7-108.1 9.5 -14.2 54.5 3.2 546 222 B K S < S+ 0 0 85 -3,-1.4 2,-0.6 -4,-0.3 -1,-0.2 0.607 74.3 84.9 -77.2 -9.9 -16.6 57.3 2.2 547 223 B S S > S- 0 0 48 -3,-0.4 4,-2.1 -4,-0.4 5,-0.1 -0.828 72.5-155.8 -84.0 122.2 -13.4 59.2 1.6 548 224 B Q H > S+ 0 0 46 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.835 94.1 57.0 -68.2 -27.8 -12.2 58.3 -1.9 549 225 B K H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.947 107.7 43.6 -66.3 -52.2 -8.7 59.2 -0.8 550 226 B V H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.911 115.8 52.1 -57.4 -43.2 -8.6 56.8 2.2 551 227 B S H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.899 110.2 46.0 -60.3 -44.9 -10.1 54.2 -0.2 552 228 B Y H X S+ 0 0 52 -4,-2.5 4,-2.5 3,-0.2 5,-0.4 0.895 107.7 57.9 -68.5 -39.6 -7.5 54.7 -2.9 553 229 B I H < S+ 0 0 59 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.933 122.0 25.8 -53.4 -48.4 -4.6 54.6 -0.4 554 230 B M H < S+ 0 0 3 -4,-1.9 4,-0.2 -5,-0.2 -2,-0.2 0.805 137.2 26.8 -87.9 -30.4 -5.7 51.2 0.8 555 231 B G H X S+ 0 0 0 -4,-3.3 4,-2.5 35,-0.2 -3,-0.2 0.448 87.2 95.5-118.8 -3.2 -7.5 49.8 -2.3 556 232 B G H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.889 87.2 52.5 -56.8 -42.2 -6.0 51.6 -5.4 557 233 B K H > S+ 0 0 135 -5,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.950 113.0 41.6 -61.0 -50.3 -3.6 48.7 -6.1 558 234 B L H > S+ 0 0 0 -104,-0.3 4,-2.4 -4,-0.2 5,-0.2 0.902 112.5 54.1 -67.9 -39.0 -6.2 46.0 -6.0 559 235 B T H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.933 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