==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-DEC-09 3L8F . COMPND 2 MOLECULE: D,D-HEPTOSE 1,7-BISPHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.NGUYEN,E.PEISACH,K.N.ALLEN . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 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 . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 2 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 S 0 0 132 0, 0.0 122,-0.2 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 -43.2 -3.5 2.9 -23.6 2 5 A V B -a 123 0A 43 120,-1.7 122,-2.8 119,-0.1 2,-0.2 -0.994 360.0-125.3-132.5 141.9 -7.0 4.4 -23.0 3 6 A P - 0 0 39 0, 0.0 42,-2.4 0, 0.0 2,-0.3 -0.580 33.4-168.0 -81.8 146.6 -8.2 8.0 -23.3 4 7 A A E -b 45 0B 0 120,-0.4 125,-2.3 40,-0.3 2,-0.6 -0.877 26.7-137.2-131.3 162.3 -9.9 9.5 -20.3 5 8 A I E -bc 46 129B 0 40,-2.5 42,-2.3 -2,-0.3 2,-0.4 -0.986 25.0-153.8-115.0 116.1 -12.0 12.5 -19.2 6 9 A F E -bc 47 130B 0 123,-3.0 125,-2.4 -2,-0.6 2,-0.4 -0.766 16.6-158.2 -86.8 139.1 -10.7 13.6 -15.8 7 10 A L E -bc 48 131B 0 40,-2.7 42,-2.7 -2,-0.4 125,-0.2 -0.965 18.6-145.3-130.7 128.5 -13.5 15.4 -13.9 8 11 A D - 0 0 5 123,-2.4 42,-0.2 -2,-0.4 3,-0.1 -0.389 21.3-148.9 -68.7 162.1 -13.6 17.9 -11.1 9 12 A R S >>>S+ 0 0 2 40,-0.2 4,-3.1 1,-0.2 3,-2.0 0.805 71.0 54.5-105.1 -71.5 -16.6 17.2 -8.8 10 13 A D B 345S+g 14 0C 19 1,-0.3 123,-0.3 2,-0.2 -1,-0.2 -0.418 122.2 15.4 -64.4 135.5 -18.0 20.4 -7.2 11 14 A G T 345S+ 0 0 0 3,-3.0 -1,-0.3 143,-0.2 143,-0.2 0.257 133.2 49.5 86.4 -13.3 -18.8 23.0 -9.8 12 15 A T T <45S+ 0 0 0 -3,-2.0 161,-0.3 2,-0.3 -2,-0.2 0.662 125.8 12.8-122.0 -48.8 -18.6 20.3 -12.6 13 16 A I T <5S+ 0 0 0 -4,-3.1 16,-2.9 1,-0.3 2,-0.3 0.803 133.7 28.2 -95.7 -47.7 -20.7 17.2 -11.7 14 17 A N B S- 0 0 89 1,-0.1 3,-2.3 46,-0.1 4,-0.2 -0.968 72.1-130.3-121.4 137.8 -24.7 15.1 2.3 23 26 A I G > S+ 0 0 72 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.912 108.5 58.1 -51.1 -47.4 -26.8 13.3 -0.3 24 27 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.646 108.7 44.7 -68.7 -4.7 -29.6 15.8 0.2 25 28 A N G < S+ 0 0 73 -3,-2.3 2,-0.7 2,-0.0 -8,-0.3 0.167 89.4 100.4-113.6 13.3 -27.4 18.7 -0.8 26 29 A F < + 0 0 14 -3,-2.2 2,-0.5 -4,-0.2 -10,-0.1 -0.911 49.8 178.8-104.3 109.8 -25.8 17.0 -3.8 27 30 A E - 0 0 101 -2,-0.7 -12,-2.2 -12,-0.4 2,-0.2 -0.957 24.8-133.9-114.9 118.9 -27.4 18.2 -6.9 28 31 A F B -H 14 0C 44 -2,-0.5 -14,-0.3 -14,-0.2 3,-0.1 -0.520 31.2-114.2 -72.6 135.8 -26.3 16.9 -10.3 29 32 A I > - 0 0 17 -16,-2.9 3,-2.2 -2,-0.2 4,-0.4 -0.384 47.1 -78.9 -69.4 143.9 -25.8 19.7 -12.7 30 33 A D T 3 S- 0 0 145 1,-0.3 144,-0.3 2,-0.1 -1,-0.1 -0.121 109.6 -1.0 -45.6 129.6 -28.3 19.7 -15.7 31 34 A G T 3> S+ 0 0 40 -3,-0.1 4,-2.0 1,-0.1 -1,-0.3 0.391 94.7 113.5 74.9 -2.6 -27.3 17.3 -18.4 32 35 A V H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 5,-0.2 0.853 73.2 52.6 -77.4 -31.0 -24.1 15.9 -16.9 33 36 A I H > S+ 0 0 27 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.958 112.7 46.6 -65.6 -42.4 -25.2 12.4 -16.3 34 37 A D H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 113.2 49.5 -62.1 -43.8 -26.4 12.1 -20.0 35 38 A A H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.890 110.8 50.0 -62.3 -41.4 -23.1 13.7 -21.1 36 39 A X H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.919 108.5 51.5 -64.8 -39.6 -21.1 11.3 -19.0 37 40 A R H X S+ 0 0 90 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.932 111.8 48.2 -62.7 -40.3 -23.0 8.2 -20.3 38 41 A E H X S+ 0 0 57 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.906 108.1 53.7 -66.8 -38.8 -22.2 9.5 -23.9 39 42 A L H X>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.8 0.894 110.9 47.0 -62.0 -38.7 -18.5 10.0 -23.1 40 43 A K H ><5S+ 0 0 54 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.917 110.3 53.0 -67.4 -40.9 -18.4 6.4 -21.8 41 44 A K H 3<5S+ 0 0 162 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.903 103.4 57.0 -61.2 -38.3 -20.2 5.3 -25.0 42 45 A X H 3<5S- 0 0 70 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.758 127.2-100.4 -64.9 -18.8 -17.6 7.1 -27.1 43 46 A G T <<5S+ 0 0 44 -3,-0.8 -3,-0.2 -4,-0.8 2,-0.2 0.497 74.2 140.6 116.5 3.5 -15.0 5.0 -25.4 44 47 A F < - 0 0 24 -5,-2.2 -1,-0.3 -42,-0.1 -40,-0.3 -0.501 49.4-129.5 -82.0 145.4 -13.5 7.3 -22.7 45 48 A A E -b 4 0B 6 -42,-2.4 -40,-2.5 -2,-0.2 2,-0.5 -0.607 26.1-139.7 -80.3 151.4 -12.5 6.2 -19.3 46 49 A L E +b 5 0B 0 36,-0.3 38,-2.0 -2,-0.2 39,-1.2 -0.974 23.2 178.5-121.0 129.1 -14.1 8.5 -16.6 47 50 A V E -bd 6 85B 0 -42,-2.3 -40,-2.7 -2,-0.5 2,-0.4 -0.958 18.8-148.8-132.7 119.1 -12.1 9.5 -13.6 48 51 A V E +bd 7 86B 1 37,-2.4 39,-3.3 -2,-0.4 2,-0.4 -0.660 15.8 179.9 -84.4 135.0 -13.2 11.9 -10.8 49 52 A V E + d 0 87B 0 -42,-2.7 2,-0.4 -2,-0.4 -40,-0.2 -0.911 15.0 171.8-135.5 101.9 -10.3 13.8 -9.2 50 53 A T E - d 0 88B 1 37,-2.4 39,-1.9 -2,-0.4 2,-0.5 -0.945 33.1-140.1-126.7 132.7 -11.5 16.1 -6.5 51 54 A N E + d 0 89B 19 -2,-0.4 2,-0.2 37,-0.2 3,-0.1 -0.756 22.8 178.0 -79.8 132.7 -9.9 18.3 -3.8 52 55 A Q > + 0 0 6 37,-3.3 3,-2.0 -2,-0.5 4,-0.5 -0.527 15.6 157.1-134.5 66.0 -12.0 17.9 -0.6 53 56 A S T 3> + 0 0 28 1,-0.3 4,-2.0 2,-0.2 6,-0.2 0.555 60.5 87.1 -73.9 -4.4 -10.1 20.0 1.9 54 57 A G H 3>>S+ 0 0 1 2,-0.2 5,-1.9 1,-0.2 6,-1.0 0.824 84.5 56.9 -59.4 -28.4 -13.3 20.2 3.8 55 58 A I H X45S+ 0 0 2 -3,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.976 107.8 44.1 -67.8 -52.5 -12.1 17.0 5.4 56 59 A A H 345S+ 0 0 0 34,-1.1 41,-2.2 -4,-0.5 40,-2.0 0.805 110.9 57.6 -58.6 -31.2 -8.9 18.6 6.7 57 60 A R H 3<5S- 0 0 123 -4,-2.0 -1,-0.3 38,-0.2 -2,-0.2 0.677 111.6-121.3 -75.0 -15.3 -11.0 21.6 7.8 58 61 A G T <<5S+ 0 0 48 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.1 0.607 77.3 126.8 83.4 10.8 -13.1 19.4 10.0 59 62 A K S - 0 0 71 -2,-0.3 4,-2.0 -3,-0.1 5,-0.2 -0.493 26.7-116.8 -94.4 163.7 -15.3 13.4 8.0 62 65 A E H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.846 118.9 58.7 -63.0 -29.1 -13.7 11.1 5.5 63 66 A A H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.951 105.0 47.4 -66.6 -45.5 -16.5 8.7 6.5 64 67 A Q H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.848 111.9 50.5 -63.6 -33.5 -19.2 11.1 5.4 65 68 A F H X S+ 0 0 4 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.928 109.9 51.2 -66.9 -43.2 -17.3 11.8 2.1 66 69 A E H X S+ 0 0 107 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.898 110.0 49.2 -59.5 -40.6 -17.1 8.0 1.6 67 70 A T H X S+ 0 0 88 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.911 114.3 44.2 -66.1 -43.2 -20.8 7.7 2.2 68 71 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 -47,-0.2 -2,-0.2 0.874 113.6 51.3 -71.0 -33.8 -21.6 10.4 -0.2 69 72 A T H X S+ 0 0 20 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.869 108.8 50.4 -70.5 -37.1 -19.2 9.1 -2.7 70 73 A E H X S+ 0 0 119 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.932 111.2 49.9 -63.6 -45.4 -20.6 5.6 -2.5 71 74 A W H X S+ 0 0 75 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.879 113.0 46.2 -58.2 -43.7 -24.1 7.1 -3.1 72 75 A X H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.938 111.0 51.2 -66.3 -45.0 -22.8 9.0 -6.1 73 76 A D H X S+ 0 0 57 -4,-2.7 4,-2.8 1,-0.2 10,-0.2 0.912 114.6 44.4 -57.0 -47.3 -21.0 6.0 -7.6 74 77 A W H X S+ 0 0 159 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.921 110.5 53.6 -64.1 -45.7 -24.2 3.9 -7.3 75 78 A S H < S+ 0 0 16 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.838 114.6 41.9 -59.1 -38.0 -26.4 6.6 -8.6 76 79 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 3,-1.3 0.931 113.8 49.9 -75.0 -49.0 -24.2 6.9 -11.7 77 80 A A H ><5S+ 0 0 37 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.927 108.2 56.2 -52.8 -42.9 -23.7 3.2 -12.2 78 81 A D T 3<5S+ 0 0 123 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.748 108.1 47.0 -64.7 -19.2 -27.5 2.7 -11.9 79 82 A R T < 5S- 0 0 119 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.034 130.2 -95.9-108.3 23.3 -28.0 5.2 -14.8 80 83 A D T < 5S+ 0 0 125 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.799 88.7 122.0 67.4 34.0 -25.3 3.5 -16.8 81 84 A V < - 0 0 0 -5,-2.4 2,-0.9 -8,-0.2 -2,-0.2 -0.933 39.6-171.6-123.4 104.2 -22.3 5.6 -16.0 82 85 A D - 0 0 103 -2,-0.5 -36,-0.3 -5,-0.1 2,-0.2 -0.826 18.4-140.3-100.9 106.8 -19.7 3.3 -14.5 83 86 A L - 0 0 11 -2,-0.9 -36,-0.2 -10,-0.2 3,-0.1 -0.430 2.7-150.3 -68.2 132.3 -16.8 5.5 -13.2 84 87 A D S S- 0 0 55 -38,-2.0 2,-0.3 1,-0.2 -37,-0.2 0.777 74.9 -10.4 -74.1 -24.4 -13.4 4.1 -13.9 85 88 A G E -d 47 0B 12 -39,-1.2 -37,-2.4 2,-0.0 2,-0.4 -0.975 51.9-154.5-169.3 154.7 -11.9 5.7 -10.8 86 89 A I E -d 48 0B 48 -2,-0.3 2,-0.4 -39,-0.2 -37,-0.2 -0.960 19.6-180.0-140.6 118.8 -12.6 8.2 -8.1 87 90 A Y E +d 49 0B 48 -39,-3.3 -37,-2.4 -2,-0.4 2,-0.3 -0.926 1.9 178.5-120.0 143.6 -9.7 10.0 -6.5 88 91 A Y E -d 50 0B 67 -2,-0.4 -37,-0.2 -39,-0.2 19,-0.1 -0.981 22.0-144.3-147.1 158.2 -9.9 12.6 -3.8 89 92 A C E +d 51 0B 0 -39,-1.9 -37,-3.3 -2,-0.3 -34,-0.2 -0.981 13.7 178.8-127.3 114.3 -7.5 14.7 -1.6 90 93 A P + 0 0 10 0, 0.0 -34,-1.1 0, 0.0 -33,-0.1 0.455 49.2 106.4 -94.0 -1.3 -8.5 15.3 2.0 91 94 A H + 0 0 30 -36,-0.1 10,-0.2 -35,-0.1 -39,-0.1 -0.329 36.5 170.3 -87.2 162.3 -5.5 17.3 2.9 92 95 A H B > -i 101 0D 47 8,-1.8 3,-2.2 10,-0.2 10,-0.7 -0.892 37.2-128.2-158.9 135.2 -4.7 20.9 3.6 93 96 A P T 3 S+ 0 0 62 0, 0.0 10,-0.1 0, 0.0 8,-0.1 0.800 113.1 43.0 -56.8 -27.6 -1.5 22.3 5.0 94 97 A Q T 3 S+ 0 0 143 8,-0.1 7,-0.1 6,-0.1 9,-0.0 0.101 85.8 155.8-102.2 21.3 -3.5 24.3 7.6 95 98 A G < - 0 0 3 -3,-2.2 -38,-0.2 5,-0.2 6,-0.1 -0.066 40.2-152.5 -49.5 141.6 -5.8 21.4 8.4 96 99 A S S S+ 0 0 79 -40,-2.0 2,-0.9 1,-0.1 -39,-0.2 0.622 84.7 77.7 -87.3 -14.3 -7.5 21.5 11.8 97 100 A V S > S- 0 0 46 -41,-2.2 3,-1.7 1,-0.2 4,-0.3 -0.831 77.6-151.5-101.8 110.8 -7.7 17.8 11.6 98 101 A E G > S+ 0 0 174 -2,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.840 90.1 60.5 -49.1 -45.0 -4.3 16.5 12.4 99 102 A E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.1 -43,-0.1 0.835 114.5 37.8 -52.8 -32.3 -4.5 13.3 10.4 100 103 A F G < S+ 0 0 14 -3,-1.7 -8,-1.8 -44,-0.1 2,-1.0 0.250 86.0 112.7-107.5 10.3 -5.0 15.4 7.3 101 104 A R B < +i 92 0D 134 -3,-1.7 2,-0.3 -4,-0.3 -10,-0.1 -0.737 50.4 87.6 -89.6 102.2 -2.8 18.3 7.9 102 105 A Q S S- 0 0 87 -2,-1.0 2,-0.3 -10,-0.7 -10,-0.2 -0.968 77.9 -97.9-177.2 162.8 0.1 18.3 5.5 103 106 A V - 0 0 107 -2,-0.3 2,-0.3 -10,-0.1 -11,-0.1 -0.646 53.6-177.3 -83.6 156.8 1.2 19.4 2.1 104 107 A C - 0 0 11 -2,-0.3 6,-0.1 3,-0.1 8,-0.1 -0.863 40.8-116.8-145.7 179.1 0.7 16.4 -0.2 105 108 A D S S+ 0 0 129 -2,-0.3 7,-1.6 1,-0.1 8,-0.2 0.506 106.8 61.9 -97.7 -6.7 1.2 15.4 -3.7 106 109 A C S S+ 0 0 31 6,-0.2 2,-0.8 5,-0.1 7,-0.3 0.591 72.2 101.2 -98.8 -8.2 -2.5 14.9 -4.4 107 110 A R S > S- 0 0 54 5,-0.1 3,-2.7 -56,-0.1 5,-0.1 -0.620 83.2 -96.4 -80.8 111.9 -3.9 18.5 -3.8 108 111 A K T 3 S+ 0 0 1 -2,-0.8 29,-0.1 1,-0.4 28,-0.1 -0.397 115.4 50.5 -57.2 144.5 -4.4 20.1 -7.1 109 112 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.4 0, 0.0 34,-0.2 -0.959 103.9 78.2 -66.0 -7.4 -2.5 22.0 -8.6 110 113 A H S < S- 0 0 85 -3,-2.7 3,-0.4 1,-0.1 30,-0.1 -0.512 81.9-139.4 -64.7 141.8 -0.2 19.1 -7.7 111 114 A P >> + 0 0 29 0, 0.0 4,-2.2 0, 0.0 3,-0.8 0.347 64.8 119.0 -87.3 6.6 -0.9 16.4 -10.4 112 115 A G H 3> S+ 0 0 14 -7,-1.6 4,-2.8 1,-0.3 -6,-0.2 0.808 73.3 47.7 -40.3 -51.3 -0.7 13.4 -8.0 113 116 A X H 3> S+ 0 0 6 -3,-0.4 4,-2.2 -7,-0.3 -1,-0.3 0.863 112.8 49.0 -62.4 -38.6 -4.2 12.1 -8.4 114 117 A L H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.887 111.6 49.5 -70.2 -38.0 -4.0 12.3 -12.2 115 118 A L H X S+ 0 0 52 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 111.2 49.2 -66.4 -44.9 -0.7 10.4 -12.2 116 119 A S H X S+ 0 0 63 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.938 112.9 47.2 -59.6 -47.2 -2.0 7.7 -9.9 117 120 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.909 110.4 54.0 -59.7 -43.1 -5.0 7.3 -12.1 118 121 A R H X>S+ 0 0 93 -4,-2.3 5,-1.6 2,-0.2 4,-0.9 0.939 113.4 40.5 -55.1 -50.1 -2.8 7.3 -15.2 119 122 A D H <5S+ 0 0 101 -4,-2.4 3,-0.2 3,-0.2 -2,-0.2 0.905 119.2 46.4 -67.0 -45.3 -0.6 4.4 -13.7 120 123 A Y H <5S+ 0 0 165 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.861 124.6 28.4 -65.4 -41.5 -3.6 2.4 -12.4 121 124 A L H <5S- 0 0 34 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.344 102.9-119.6-107.2 5.0 -5.9 2.6 -15.4 122 125 A H T <5 - 0 0 125 -4,-0.9 -120,-1.7 -3,-0.2 2,-0.4 0.980 43.6-170.1 54.3 65.8 -3.3 2.9 -18.2 123 126 A I B < -a 2 0A 9 -5,-1.6 2,-1.3 -122,-0.2 -1,-0.2 -0.756 28.4-135.2 -97.7 137.7 -4.4 6.3 -19.5 124 127 A D > - 0 0 70 -122,-2.8 3,-0.9 -2,-0.4 -120,-0.4 -0.697 24.4-168.8 -83.6 93.6 -3.2 7.9 -22.7 125 128 A X G > S+ 0 0 13 -2,-1.3 22,-2.2 1,-0.2 3,-1.8 0.883 79.7 55.7 -56.8 -38.8 -2.7 11.4 -21.2 126 129 A A G 3 S+ 0 0 68 1,-0.3 -1,-0.2 20,-0.2 -2,-0.1 0.764 109.5 46.9 -66.6 -25.6 -2.2 13.2 -24.5 127 130 A A G < S+ 0 0 42 -3,-0.9 -1,-0.3 -125,-0.1 -2,-0.2 0.324 103.0 93.1 -94.1 9.7 -5.5 11.9 -25.8 128 131 A S < - 0 0 0 -3,-1.8 20,-1.6 17,-0.2 2,-0.3 -0.479 60.4-143.4-104.6 173.6 -7.3 12.9 -22.5 129 132 A Y E -ce 5 148B 20 -125,-2.3 -123,-3.0 18,-0.2 2,-0.4 -0.923 2.1-151.6-130.9 153.7 -9.3 15.9 -21.2 130 133 A X E -ce 6 149B 0 18,-1.8 20,-3.2 -2,-0.3 2,-0.5 -0.999 14.9-166.9-122.2 133.0 -9.5 17.6 -17.8 131 134 A V E +ce 7 150B 0 -125,-2.4 -123,-2.4 -2,-0.4 2,-0.3 -0.972 27.9 123.3-123.1 125.4 -12.8 19.3 -17.0 132 135 A G E - e 0 151B 0 18,-2.1 20,-1.9 -2,-0.5 -121,-0.1 -0.956 56.9-121.2-164.3 179.6 -13.1 21.7 -14.0 133 136 A D S S+ 0 0 2 -123,-0.3 2,-0.3 -2,-0.3 18,-0.1 0.435 81.0 71.5-114.4 0.2 -14.0 25.3 -12.9 134 137 A K S >> S- 0 0 45 1,-0.1 4,-1.4 24,-0.1 3,-0.9 -0.829 77.9-120.9-123.8 159.1 -10.7 26.5 -11.3 135 138 A L H 3> S+ 0 0 54 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.917 112.4 60.6 -56.0 -46.2 -7.2 27.5 -12.1 136 139 A E H 3> S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.821 101.1 54.3 -51.9 -35.8 -5.8 24.7 -9.9 137 140 A D H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.913 110.9 44.4 -66.4 -39.5 -7.6 22.1 -12.1 138 141 A X H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.2 -2,-0.2 0.889 112.6 52.4 -75.1 -33.4 -6.0 23.4 -15.3 139 142 A Q H X S+ 0 0 83 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.891 109.7 48.6 -70.4 -40.5 -2.5 23.7 -13.6 140 143 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.899 111.1 51.9 -63.3 -39.3 -2.7 20.0 -12.4 141 144 A A H <>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 3,-0.4 0.946 108.2 49.3 -64.7 -43.3 -3.7 18.9 -15.9 142 145 A V H ><5S+ 0 0 74 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.913 110.8 51.1 -66.6 -35.9 -0.7 20.8 -17.5 143 146 A A H 3<5S+ 0 0 63 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.777 111.5 48.3 -68.2 -25.6 1.6 19.1 -15.1 144 147 A A T 3<5S- 0 0 2 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.335 113.1-116.2 -98.3 9.2 0.1 15.7 -15.9 145 148 A N T < 5 + 0 0 120 -3,-1.1 2,-0.3 -4,-0.4 -17,-0.2 0.788 48.8 172.7 65.7 30.3 0.4 16.2 -19.7 146 149 A V < - 0 0 5 -5,-2.1 -20,-0.2 -6,-0.2 -1,-0.2 -0.551 30.4-137.3 -72.6 130.8 -3.4 16.1 -20.2 147 150 A G S S+ 0 0 34 -22,-2.2 2,-0.4 -2,-0.3 -18,-0.2 0.772 81.3 29.0 -62.6 -37.5 -4.1 16.9 -23.9 148 151 A T E -e 129 0B 26 -20,-1.6 -18,-1.8 2,-0.0 2,-0.6 -0.992 65.4-156.1-134.8 123.7 -7.0 19.3 -23.6 149 152 A K E -e 130 0B 31 -2,-0.4 18,-2.6 -20,-0.2 19,-2.3 -0.904 16.5-170.2-101.9 113.8 -7.8 21.5 -20.6 150 153 A V E -ef 131 168B 0 -20,-3.2 -18,-2.1 -2,-0.6 2,-0.3 -0.909 7.0-163.6-113.6 122.5 -11.5 22.4 -20.4 151 154 A L E -ef 132 169B 0 17,-2.8 19,-3.6 -2,-0.5 2,-0.3 -0.782 9.5-156.5 -99.4 144.1 -12.9 25.0 -18.1 152 155 A V E - f 0 170B 0 -20,-1.9 3,-0.4 -2,-0.3 19,-0.2 -0.886 18.2-142.2-120.4 160.0 -16.7 25.1 -17.3 153 156 A R S S+ 0 0 129 17,-1.3 19,-0.1 18,-0.7 18,-0.1 0.287 76.1 98.8-104.0 15.6 -18.9 27.9 -16.1 154 157 A T S S+ 0 0 42 -143,-0.2 -138,-0.4 16,-0.2 -1,-0.2 0.429 89.6 25.1 -84.5 0.0 -21.1 25.8 -13.9 155 158 A G S S+ 0 0 26 1,-0.5 3,-0.1 -3,-0.4 -144,-0.1 -0.144 118.4 8.0-121.8-130.8 -19.3 26.7 -10.6 156 159 A K S S- 0 0 83 1,-0.1 -1,-0.5 -2,-0.1 2,-0.3 -0.144 84.2-102.0 -45.1 137.2 -17.2 29.7 -9.7 157 160 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.526 57.5-109.3 -67.1 132.4 -17.3 32.6 -12.3 158 161 A I - 0 0 28 -2,-0.3 -24,-0.1 -3,-0.1 -5,-0.0 -0.130 26.1-128.1 -65.3 160.1 -14.0 31.8 -13.8 159 162 A T > - 0 0 64 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.668 24.1-113.1-102.1 162.6 -10.9 34.0 -13.2 160 163 A P H > S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.842 118.3 57.3 -66.6 -27.6 -8.8 35.3 -16.1 161 164 A E H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.920 105.2 49.0 -67.9 -42.8 -5.9 33.1 -14.8 162 165 A A H > S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.956 112.4 50.5 -62.5 -43.7 -8.1 29.9 -15.0 163 166 A E H >< S+ 0 0 87 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.926 106.8 54.1 -58.3 -43.7 -9.0 31.0 -18.6 164 167 A N H 3< S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.6 46.7 -59.9 -33.6 -5.4 31.6 -19.5 165 168 A A H 3< S+ 0 0 27 -4,-1.6 -1,-0.2 -3,-0.4 2,-0.2 0.528 101.3 85.2 -86.6 -8.4 -4.4 28.1 -18.4 166 169 A A << - 0 0 16 -3,-1.0 -16,-0.2 -4,-0.8 3,-0.1 -0.661 61.0-154.8 -94.5 156.7 -7.3 26.4 -20.2 167 170 A D S S+ 0 0 85 -18,-2.6 2,-0.3 1,-0.3 -17,-0.2 0.841 84.0 17.4 -88.1 -44.8 -7.6 25.3 -23.9 168 171 A W E -f 150 0B 70 -19,-2.3 -17,-2.8 2,-0.0 2,-0.5 -0.905 61.1-152.5-128.8 152.2 -11.4 25.5 -24.1 169 172 A V E -f 151 0B 47 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.992 22.6-179.5-123.2 120.2 -14.1 27.2 -22.0 170 173 A L E -f 152 0B 28 -19,-3.6 -17,-1.3 -2,-0.5 -16,-0.2 -0.841 36.6-125.8-117.6 161.0 -17.5 25.5 -22.1 171 174 A N S S- 0 0 106 -2,-0.3 -18,-0.7 1,-0.3 2,-0.3 0.924 89.1 -13.3 -68.8 -36.6 -20.8 26.3 -20.4 172 175 A S > - 0 0 12 -20,-0.2 3,-2.5 -19,-0.1 4,-0.4 -0.995 61.1-106.9-162.4 159.4 -21.0 22.9 -18.9 173 176 A L G > S+ 0 0 0 -161,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.766 115.1 74.9 -59.1 -25.8 -19.7 19.4 -18.9 174 177 A A G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -144,-0.3 4,-0.3 0.806 95.1 49.2 -56.5 -31.6 -23.1 18.8 -20.5 175 178 A D G <> S+ 0 0 68 -3,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.561 85.1 91.1 -89.0 -7.4 -21.6 20.3 -23.7 176 179 A L H <> S+ 0 0 0 -3,-1.2 4,-2.8 -4,-0.4 5,-0.2 0.865 78.7 56.3 -57.1 -40.0 -18.4 18.3 -23.9 177 180 A P H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.943 111.8 43.1 -61.2 -45.6 -19.5 15.4 -26.0 178 181 A Q H > S+ 0 0 100 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.921 112.9 53.1 -64.1 -40.5 -20.6 17.6 -28.8 179 182 A A H < S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.2 0.892 111.4 46.4 -62.5 -38.1 -17.5 19.7 -28.5 180 183 A I H >< S+ 0 0 14 -4,-2.8 3,-1.5 -5,-0.2 -1,-0.2 0.923 108.5 55.3 -70.1 -38.9 -15.3 16.6 -28.8 181 184 A K H 3< S+ 0 0 100 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.845 97.2 63.9 -61.8 -36.2 -17.3 15.3 -31.8 182 185 A K T 3< 0 0 161 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.379 360.0 360.0 -72.1 9.0 -16.7 18.5 -33.7 183 186 A Q < 0 0 126 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.949 360.0 360.0 -90.7 360.0 -13.1 17.6 -33.6