==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-12 4ARO . COMPND 2 MOLECULE: HISTIDINE ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAFNIA ALVEI; . AUTHOR O.V.MOROZ,E.B.BLAGOVA,A.ARIZA,J.P.TURKENBURG,J.VEVODOVA,S.RO . 401 4 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 8.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 2 2 1 0 0 0 0 3 1 0 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 1 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 . 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 1 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 4 A A 0 0 73 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 146.1 -52.6 10.1 -7.5 2 5 A P > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 377,-0.0 -0.034 360.0 -62.0 -60.7 165.6 -56.0 9.1 -6.1 3 6 A A T 3 S+ 0 0 106 1,-0.2 332,-0.4 331,-0.0 0, 0.0 -0.239 121.9 9.1 -51.2 121.7 -59.0 11.6 -5.8 4 7 A G T 3 S+ 0 0 45 1,-0.2 2,-0.2 330,-0.1 -1,-0.2 0.422 90.1 142.7 83.1 2.0 -58.2 14.5 -3.2 5 8 A F < - 0 0 30 -3,-1.7 2,-0.4 329,-0.1 -1,-0.2 -0.566 29.9-167.1 -81.1 146.0 -54.4 13.7 -2.8 6 9 A Q E -A 333 0A 73 327,-2.2 327,-2.1 -2,-0.2 2,-0.4 -0.969 21.4-123.7-134.7 131.1 -52.0 16.6 -2.5 7 10 A L E +A 332 0A 15 61,-0.5 325,-0.2 -2,-0.4 3,-0.1 -0.646 35.7 164.2 -78.2 130.0 -48.2 16.4 -2.8 8 11 A E E + 0 0 85 323,-2.8 2,-0.3 -2,-0.4 324,-0.2 0.713 57.6 10.6-115.8 -33.3 -46.5 17.8 0.3 9 12 A K E -A 331 0A 42 322,-1.5 322,-2.5 264,-0.1 2,-0.4 -0.994 52.6-157.5-155.7 146.3 -42.8 16.7 0.3 10 13 A V E -Ab 330 291A 0 280,-2.4 282,-2.1 -2,-0.3 2,-0.4 -0.981 2.4-170.9-129.5 135.5 -40.3 15.0 -1.9 11 14 A V E -Ab 329 292A 0 318,-3.0 318,-3.2 -2,-0.4 2,-0.6 -0.989 11.9-167.0-125.0 116.1 -37.1 13.1 -1.0 12 15 A I E -Ab 328 293A 0 280,-3.2 282,-3.3 -2,-0.4 2,-0.8 -0.927 9.8-167.2-108.8 117.1 -34.9 12.3 -4.0 13 16 A L E -Ab 327 294A 0 314,-3.1 314,-2.4 -2,-0.6 2,-0.4 -0.898 26.4-176.9-100.8 100.9 -32.0 9.7 -3.5 14 17 A S E -Ab 326 295A 2 280,-2.7 282,-3.1 -2,-0.8 312,-0.2 -0.819 26.9-130.1-105.7 139.1 -30.1 10.3 -6.7 15 18 A R E - b 0 296A 0 310,-2.9 309,-0.3 -2,-0.4 282,-0.2 -0.563 40.5-101.6 -70.7 151.9 -27.0 8.6 -8.2 16 19 A H - 0 0 3 280,-1.7 308,-1.8 -2,-0.2 309,-0.2 -0.117 46.6 -97.4 -61.0 166.4 -24.3 11.0 -9.3 17 20 A G - 0 0 2 73,-0.5 34,-0.1 306,-0.3 -1,-0.1 -0.081 61.9 -39.4 -86.3-173.6 -24.0 11.8 -13.0 18 21 A V S S+ 0 0 2 32,-0.3 29,-2.3 305,-0.1 2,-0.3 -0.196 70.6 174.9 -54.1 129.7 -21.9 10.5 -15.8 19 22 A R B -H 46 0B 26 27,-0.3 27,-0.3 -3,-0.1 3,-0.1 -0.876 33.9-100.7-132.2 159.7 -18.3 9.9 -14.5 20 23 A A - 0 0 1 25,-2.2 24,-0.1 22,-0.4 22,-0.1 -0.345 63.8 -71.5 -66.9 159.7 -15.0 8.6 -15.6 21 24 A P - 0 0 7 0, 0.0 23,-1.7 0, 0.0 24,-0.2 -0.234 38.1-137.7 -48.0 142.4 -14.0 5.0 -14.4 22 25 A T S S+ 0 0 64 21,-0.2 2,-0.3 1,-0.2 21,-0.1 0.721 83.6 7.6 -79.2 -20.4 -13.2 5.0 -10.8 23 26 A K - 0 0 102 2,-0.0 2,-0.2 21,-0.0 -1,-0.2 -0.976 52.7-162.5-150.8 156.0 -10.3 2.7 -11.3 24 27 A M - 0 0 37 -2,-0.3 2,-0.1 -3,-0.1 19,-0.0 -0.729 28.4-173.7-143.0 91.8 -8.3 1.3 -14.3 25 28 A T > - 0 0 57 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.318 40.0-106.0 -85.4 170.8 -6.3 -1.5 -12.9 26 29 A Q H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.888 122.7 53.7 -62.6 -39.0 -3.7 -3.7 -14.6 27 30 A T H > S+ 0 0 70 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.912 107.1 50.8 -62.5 -41.1 -6.2 -6.5 -14.9 28 31 A M H 4 S+ 0 0 1 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.891 113.3 45.5 -63.8 -41.1 -8.7 -4.2 -16.6 29 32 A R H >< S+ 0 0 123 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.871 113.0 51.8 -62.3 -38.2 -6.1 -3.1 -19.1 30 33 A D H 3< S+ 0 0 26 -4,-2.4 145,-3.0 1,-0.2 146,-0.3 0.629 90.8 72.8 -86.0 -13.3 -4.9 -6.7 -19.6 31 34 A V T 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.3 142,-0.2 0.434 102.3 43.1 -84.4 4.7 -8.3 -8.4 -20.4 32 35 A T < - 0 0 2 -3,-1.0 137,-0.1 2,-0.2 138,-0.1 -0.995 63.8-146.7-143.9 142.8 -8.4 -6.7 -23.8 33 36 A P S S+ 0 0 36 0, 0.0 136,-0.1 0, 0.0 -1,-0.1 0.664 82.4 92.4 -73.6 -12.6 -5.9 -6.2 -26.6 34 37 A H S S- 0 0 56 134,-0.5 2,-0.5 1,-0.1 -2,-0.2 -0.272 83.3-114.3 -78.2 159.4 -7.9 -2.9 -27.3 35 38 A Q - 0 0 150 -2,-0.0 193,-0.1 3,-0.0 -1,-0.1 -0.879 25.6-122.5 -99.0 130.9 -6.9 0.4 -25.7 36 39 A W - 0 0 25 -2,-0.5 2,-0.1 -4,-0.1 -7,-0.0 -0.403 35.9-110.2 -67.7 136.2 -9.2 2.0 -23.2 37 40 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.376 29.5-109.3 -74.9 148.3 -10.2 5.4 -24.3 38 41 A E - 0 0 179 -2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.543 27.6-142.5 -77.0 135.0 -9.0 8.5 -22.4 39 42 A W - 0 0 31 -2,-0.3 4,-0.1 2,-0.2 -1,-0.0 -0.653 15.6-126.2 -93.6 157.6 -11.5 10.5 -20.4 40 43 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.504 89.6 44.3 -83.3 -3.8 -11.5 14.3 -20.1 41 44 A V S S- 0 0 38 4,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.881 96.5 -78.0-136.0 165.4 -11.4 14.3 -16.2 42 45 A K > - 0 0 142 -2,-0.3 3,-2.1 1,-0.2 -22,-0.4 -0.101 68.3 -71.2 -59.1 156.3 -9.7 12.5 -13.4 43 46 A L T 3 S+ 0 0 103 1,-0.3 -21,-0.2 -24,-0.1 -1,-0.2 -0.217 120.4 11.4 -50.1 134.9 -10.7 9.0 -12.4 44 47 A G T 3 S+ 0 0 7 -23,-1.7 46,-0.4 1,-0.2 -1,-0.3 0.427 96.4 130.3 78.2 -6.0 -14.1 9.0 -10.6 45 48 A Y < - 0 0 83 -3,-2.1 -25,-2.2 -24,-0.2 -1,-0.2 -0.580 61.7-117.1 -81.4 145.5 -15.0 12.5 -11.5 46 49 A I B -H 19 0B 1 -27,-0.3 -27,-0.3 -2,-0.2 -28,-0.1 -0.592 35.5-127.8 -70.2 143.0 -18.2 13.6 -13.0 47 50 A T > - 0 0 0 -29,-2.3 4,-2.5 -2,-0.2 5,-0.2 -0.497 19.8-108.9 -87.7 163.7 -17.6 15.1 -16.4 48 51 A P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.929 124.8 51.1 -56.1 -40.1 -18.9 18.5 -17.6 49 52 A R H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 106.5 53.2 -62.0 -42.3 -21.3 16.6 -19.8 50 53 A G H > S+ 0 0 0 -32,-0.3 4,-2.0 2,-0.2 -32,-0.3 0.884 108.5 51.2 -61.8 -39.4 -22.5 14.5 -16.8 51 54 A E H X S+ 0 0 56 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.948 109.4 49.7 -61.7 -47.3 -23.2 17.8 -14.9 52 55 A H H X S+ 0 0 87 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.910 109.0 52.2 -56.3 -43.2 -25.2 19.0 -17.9 53 56 A L H X S+ 0 0 2 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.879 109.4 49.7 -65.0 -34.7 -27.2 15.8 -18.0 54 57 A I H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.901 107.4 54.9 -67.2 -42.6 -28.0 16.1 -14.2 55 58 A S H X S+ 0 0 26 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.879 102.8 55.8 -58.8 -34.9 -29.1 19.7 -14.8 56 59 A L H X S+ 0 0 29 -4,-1.9 4,-1.6 1,-0.2 303,-0.2 0.902 108.0 48.6 -64.8 -40.9 -31.6 18.4 -17.4 57 60 A M H X S+ 0 0 3 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.903 108.6 54.3 -60.9 -43.4 -33.0 16.2 -14.7 58 61 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.886 107.1 51.1 -56.4 -39.6 -33.1 19.2 -12.4 59 62 A G H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.849 109.7 49.4 -65.4 -37.4 -35.2 21.0 -15.0 60 63 A F H X S+ 0 0 14 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.929 109.6 51.2 -65.9 -48.8 -37.6 18.1 -15.3 61 64 A Y H X S+ 0 0 7 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.903 109.0 52.8 -55.5 -41.3 -38.0 18.0 -11.5 62 65 A R H X S+ 0 0 29 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.938 110.8 45.3 -61.7 -46.4 -38.8 21.7 -11.5 63 66 A E H X S+ 0 0 73 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.926 115.6 47.0 -66.0 -41.2 -41.5 21.3 -14.2 64 67 A R H X S+ 0 0 53 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.915 113.5 46.6 -64.3 -43.4 -43.0 18.3 -12.4 65 68 A F H <>S+ 0 0 2 -4,-3.1 5,-2.7 2,-0.2 6,-1.3 0.844 112.7 50.8 -77.0 -27.8 -43.0 19.9 -8.9 66 69 A Q H ><5S+ 0 0 70 -4,-2.5 3,-2.0 -5,-0.3 -1,-0.2 0.962 111.1 49.8 -63.4 -50.3 -44.4 23.2 -10.3 67 70 A Q H 3<5S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.885 109.2 49.9 -57.7 -40.9 -47.1 21.2 -12.0 68 71 A Q T 3<5S- 0 0 59 -4,-2.2 -61,-0.5 -5,-0.1 -1,-0.3 0.328 118.5-110.4 -86.3 7.7 -48.0 19.2 -8.8 69 72 A G T < 5S+ 0 0 66 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.605 89.1 110.7 82.7 15.3 -48.2 22.5 -6.9 70 73 A L S > - 0 0 89 1,-0.1 3,-0.9 31,-0.0 4,-0.7 -0.410 36.6-115.9 -63.2 147.8 -37.0 30.2 -1.0 78 82 A P G >4 S+ 0 0 105 0, 0.0 3,-0.6 0, 0.0 208,-0.1 0.867 114.9 58.0 -59.3 -31.1 -33.8 28.8 0.5 79 83 A D G 34 S+ 0 0 82 1,-0.2 207,-0.4 206,-0.1 211,-0.2 0.813 96.1 63.5 -62.5 -30.3 -35.9 26.9 3.1 80 84 A A G <4 S+ 0 0 7 -3,-0.9 210,-2.5 209,-0.2 211,-2.3 0.746 103.7 43.4 -72.4 -27.9 -37.9 24.9 0.4 81 85 A V E << +c 291 0A 12 -4,-0.7 2,-0.4 -3,-0.6 211,-0.2 -0.969 60.8 177.5-127.8 133.6 -34.9 23.0 -1.1 82 86 A Y E -c 292 0A 10 209,-2.4 211,-2.8 -2,-0.4 2,-0.4 -1.000 9.5-162.0-135.0 140.6 -32.0 21.2 0.6 83 87 A V E -c 293 0A 0 26,-0.4 28,-2.2 -2,-0.4 2,-0.5 -0.980 5.2-174.7-121.8 127.2 -29.2 19.2 -0.9 84 88 A W E -cd 294 111A 20 209,-2.5 211,-2.3 -2,-0.4 2,-0.4 -0.977 15.8-174.0-118.7 115.0 -27.0 16.8 1.1 85 89 A A E -cd 295 112A 0 26,-2.5 28,-0.5 -2,-0.5 211,-0.1 -0.867 26.8-113.4-108.6 145.8 -24.2 15.4 -1.1 86 90 A D - 0 0 0 209,-2.1 6,-0.1 -2,-0.4 33,-0.1 -0.264 42.1-102.2 -62.6 167.4 -21.6 12.7 -0.3 87 91 A V S S+ 0 0 12 31,-0.1 -1,-0.1 4,-0.1 29,-0.0 0.570 87.1 106.9 -77.6 -14.8 -18.0 14.0 -0.1 88 92 A D S > S- 0 0 50 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.291 78.1-122.2 -63.9 151.9 -16.9 12.8 -3.5 89 93 A Q H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.922 112.6 56.5 -52.7 -43.3 -16.4 15.3 -6.3 90 94 A R H > S+ 0 0 42 -46,-0.4 4,-1.0 1,-0.2 -73,-0.5 0.854 112.4 39.2 -64.8 -37.1 -18.9 13.4 -8.4 91 95 A T H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 114.5 52.4 -76.3 -43.2 -21.7 13.7 -5.8 92 96 A R H X S+ 0 0 65 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.950 113.1 44.7 -54.6 -51.4 -20.9 17.2 -4.8 93 97 A K H X S+ 0 0 70 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.810 109.3 56.5 -69.7 -27.3 -21.0 18.4 -8.4 94 98 A T H X S+ 0 0 0 -4,-1.0 4,-2.7 -5,-0.3 -1,-0.2 0.935 106.1 50.6 -66.7 -38.8 -24.2 16.4 -9.0 95 99 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.931 112.8 46.6 -62.8 -43.6 -25.9 18.3 -6.1 96 100 A E H X S+ 0 0 78 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.929 112.0 50.5 -62.3 -45.2 -24.7 21.6 -7.7 97 101 A A H X S+ 0 0 8 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.868 106.6 55.4 -65.3 -35.2 -25.9 20.5 -11.2 98 102 A F H >X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 3,-0.5 0.951 109.8 45.2 -60.7 -47.5 -29.2 19.5 -9.8 99 103 A L H 3X S+ 0 0 11 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.874 105.9 61.1 -66.3 -35.1 -29.7 23.0 -8.4 100 104 A A H 3< S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 115.5 34.6 -61.0 -32.8 -28.5 24.6 -11.7 101 105 A G H << S+ 0 0 12 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.833 120.3 46.3 -85.0 -43.0 -31.4 22.9 -13.4 102 106 A L H < S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.850 135.9 9.7 -66.1 -42.5 -34.0 23.1 -10.7 103 107 A A S >< S- 0 0 6 -4,-3.1 3,-1.9 -5,-0.2 5,-0.3 -0.619 85.3-145.1-143.0 70.5 -33.3 26.9 -9.9 104 108 A P T 3 S- 0 0 71 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.162 76.2 -11.3 -56.4 126.8 -31.0 28.4 -12.5 105 109 A Q T 3 S+ 0 0 178 1,-0.1 -5,-0.1 3,-0.1 -4,-0.0 0.468 93.9 125.3 63.4 14.0 -28.4 31.0 -11.2 106 110 A a < - 0 0 25 -3,-1.9 -1,-0.1 -7,-0.2 -6,-0.1 0.575 68.8-135.2 -78.9 -9.3 -30.2 31.2 -7.8 107 111 A D + 0 0 158 -4,-0.3 -1,-0.1 1,-0.1 -7,-0.0 0.812 36.4 179.1 66.0 28.8 -27.0 30.4 -5.9 108 112 A L - 0 0 39 -5,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.310 27.9-112.9 -66.8 148.2 -28.8 27.8 -3.7 109 113 A A - 0 0 65 -28,-0.2 -26,-0.4 -31,-0.1 2,-0.3 -0.564 21.8-155.4 -81.1 145.1 -26.5 26.1 -1.2 110 114 A I - 0 0 34 -2,-0.2 2,-0.3 -28,-0.1 -26,-0.2 -0.860 13.7-149.6-105.0 160.6 -25.5 22.4 -1.2 111 115 A H E +d 84 0A 49 -28,-2.2 -26,-2.5 -2,-0.3 2,-0.3 -0.916 21.8 160.3-122.5 154.4 -24.4 20.8 2.1 112 116 A H E -d 85 0A 68 -2,-0.3 -26,-0.1 -28,-0.2 4,-0.1 -0.949 51.3 -65.6-163.7 163.8 -22.0 17.9 2.7 113 117 A Q - 0 0 37 -28,-0.5 5,-0.1 -2,-0.3 7,-0.0 -0.385 44.5-129.9 -58.4 143.4 -19.9 16.5 5.6 114 118 A Q S S+ 0 0 195 1,-0.2 2,-1.1 2,-0.1 -1,-0.1 0.881 95.8 63.9 -71.6 -34.2 -17.2 19.0 6.7 115 119 A N > + 0 0 79 1,-0.2 3,-1.0 4,-0.1 -1,-0.2 -0.709 59.3 177.5 -91.5 98.4 -14.4 16.4 6.6 116 120 A T T 3 S+ 0 0 69 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.478 72.3 71.3 -77.8 0.2 -14.2 15.3 3.0 117 121 A Q T 3 S+ 0 0 173 2,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.201 96.0 56.1 -98.2 10.0 -11.2 13.1 3.8 118 122 A Q S < S- 0 0 125 -3,-1.0 -31,-0.1 -5,-0.1 10,-0.1 -0.949 96.0 -91.9-132.7 158.8 -13.3 10.5 5.7 119 123 A A - 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0 0 70 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.820 18.6-139.7 -91.8 122.3 -20.3 -11.1 10.4 135 139 A K H > S+ 0 0 64 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.870 100.8 46.4 -50.3 -48.9 -18.3 -13.0 7.7 136 140 A S H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 113.0 49.1 -68.3 -35.1 -20.3 -16.3 8.0 137 141 A Q H > S+ 0 0 105 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.882 110.8 51.0 -70.1 -34.5 -23.6 -14.4 7.9 138 142 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.967 111.9 47.1 -62.9 -48.7 -22.5 -12.4 4.8 139 143 A H H X S+ 0 0 86 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.941 114.9 46.1 -59.3 -46.3 -21.5 -15.6 3.0 140 144 A A H X S+ 0 0 63 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.921 112.5 50.4 -64.4 -42.8 -24.8 -17.3 3.9 141 145 A A H X S+ 0 0 21 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.887 110.2 47.7 -65.3 -41.0 -26.9 -14.3 2.9 142 146 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.911 111.3 51.3 -67.3 -40.7 -25.3 -13.9 -0.5 143 147 A E H X>S+ 0 0 47 -4,-2.0 4,-2.9 -5,-0.2 5,-0.5 0.928 111.7 48.2 -60.3 -43.9 -25.6 -17.6 -1.3 144 148 A K H <5S+ 0 0 183 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.909 111.3 49.9 -63.5 -41.8 -29.3 -17.4 -0.3 145 149 A Q H <5S+ 0 0 52 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.8 44.3 -64.2 -42.1 -29.8 -14.3 -2.5 146 150 A A H <5S- 0 0 6 -4,-3.0 -2,-0.2 2,-0.1 -1,-0.2 0.889 92.7-149.1 -66.4 -37.5 -28.1 -16.1 -5.4 147 151 A G T <5S+ 0 0 68 -4,-2.9 -3,-0.1 1,-0.2 -4,-0.1 0.506 74.8 68.8 72.4 6.0 -30.0 -19.3 -4.8 148 152 A T S - 0 0 77 0, 0.0 3,-1.2 0, 0.0 -6,-0.0 -0.361 38.7-129.3 -57.4 142.1 -23.5 -21.7 -4.8 150 154 A I G > S+ 0 0 3 1,-0.3 3,-2.4 2,-0.2 4,-0.3 0.836 102.6 71.0 -66.2 -36.2 -21.4 -18.7 -5.8 151 155 A E G 3 S+ 0 0 90 1,-0.3 39,-0.3 2,-0.1 -1,-0.3 0.709 105.3 40.5 -52.4 -23.3 -18.7 -20.9 -7.2 152 156 A T G X> S+ 0 0 60 -3,-1.2 3,-1.2 1,-0.1 4,-0.7 0.163 79.6 111.6-113.5 15.5 -21.0 -21.8 -10.1 153 157 A L H X> + 0 0 0 -3,-2.4 3,-1.0 1,-0.2 4,-0.7 0.861 68.4 65.7 -56.7 -39.5 -22.5 -18.3 -10.7 154 158 A N H >4 S+ 0 0 3 -4,-0.3 3,-1.2 1,-0.2 -1,-0.2 0.836 92.1 63.7 -51.5 -34.4 -20.8 -17.9 -14.0 155 159 A Q H X4 S+ 0 0 121 -3,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.856 98.8 54.4 -61.4 -32.7 -22.9 -20.8 -15.4 156 160 A R H << S+ 0 0 104 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.719 113.5 41.2 -70.2 -24.8 -26.0 -18.7 -14.8 157 161 A Y T S+ 0 0 122 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.870 74.0 46.3 -58.0 -45.8 -23.0 -17.8 -19.8 159 163 A A H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 114.4 46.7 -66.5 -46.2 -24.5 -15.8 -22.6 160 164 A S H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 113.1 48.7 -61.2 -42.7 -23.7 -12.5 -21.1 161 165 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.909 109.8 52.9 -67.4 -37.4 -20.1 -13.5 -20.3 162 166 A A H X S+ 0 0 47 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.920 109.4 49.3 -64.7 -39.5 -19.6 -14.8 -23.8 163 167 A L H X S+ 0 0 29 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.936 110.3 50.6 -65.1 -43.7 -20.8 -11.5 -25.2 164 168 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.928 108.7 52.4 -56.2 -45.9 -18.4 -9.7 -22.9 165 169 A S H X>S+ 0 0 17 -4,-2.8 5,-2.1 1,-0.2 4,-1.4 0.904 110.7 47.9 -55.2 -43.4 -15.5 -11.9 -24.1 166 170 A S H <5S+ 0 0 83 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.923 110.2 50.0 -66.3 -47.3 -16.3 -11.1 -27.7 167 171 A V H <5S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.907 119.2 38.9 -59.3 -42.7 -16.6 -7.3 -27.1 168 172 A L H <5S- 0 0 0 -4,-2.4 -134,-0.5 -5,-0.2 -1,-0.2 0.688 99.8-133.3 -72.8 -24.0 -13.2 -7.3 -25.3 169 173 A D T ><5 + 0 0 58 -4,-1.4 3,-1.4 -5,-0.2 -3,-0.2 0.940 38.8 176.3 55.5 45.5 -11.6 -9.9 -27.7 170 174 A F G > < + 0 0 0 -5,-2.1 3,-2.2 1,-0.3 6,-0.5 0.844 65.1 63.2 -49.9 -41.3 -10.5 -11.5 -24.4 171 175 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -139,-0.1 0.808 106.3 46.1 -60.4 -26.3 -8.8 -14.5 -26.0 172 176 A K G < S+ 0 0 149 -3,-1.4 -2,-0.2 -141,-0.1 -140,-0.1 0.327 94.2 114.9 -89.3 1.0 -6.3 -12.3 -27.7 173 177 A S S <> S- 0 0 1 -3,-2.2 4,-1.5 -142,-0.2 3,-0.3 -0.309 80.7-112.3 -76.6 163.5 -5.6 -10.2 -24.6 174 178 A P H > S+ 0 0 42 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.839 117.5 62.8 -58.3 -34.0 -2.4 -9.9 -22.6 175 179 A Y H > S+ 0 0 41 -145,-3.0 4,-2.1 1,-0.2 3,-0.3 0.941 106.6 42.2 -55.4 -48.4 -4.2 -11.7 -19.8 176 180 A c H 4 S+ 0 0 22 -6,-0.5 -1,-0.2 -146,-0.3 -145,-0.1 0.763 112.5 55.7 -69.2 -22.1 -4.6 -14.8 -22.0 177 181 A Q H < S+ 0 0 160 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.790 114.1 39.2 -75.0 -31.2 -1.0 -14.3 -23.2 178 182 A Q H < 0 0 121 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.2 0.687 360.0 360.0 -96.1 -24.6 0.3 -14.4 -19.6 179 183 A H < 0 0 138 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.398 360.0 360.0-114.7 360.0 -2.0 -17.2 -18.5 180 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 181 188 A L 0 0 182 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.3 -8.0 -22.7 -22.9 182 189 A c + 0 0 27 4,-0.0 2,-0.5 5,-0.0 -6,-0.1 -0.685 360.0 162.4-132.1 73.9 -8.6 -19.1 -22.0 183 190 A D > - 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