==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-MAY-09 2WHE . COMPND 2 MOLECULE: BETA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR M.W.BOWLER,N.J.BAXTER,C.E.WEBSTER,S.POLLARD,T.ALIZADEH, . 221 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.2 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 0 1 3 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 74 0, 0.0 212,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.2 -21.4 4.2 -1.2 2 2 A F - 0 0 2 1,-0.1 163,-0.2 210,-0.1 162,-0.1 -0.311 360.0-156.0 -61.3 152.1 -18.4 5.9 0.3 3 3 A K + 0 0 103 161,-3.0 106,-2.5 1,-0.2 2,-0.3 0.524 67.5 22.2-109.5 -9.6 -16.3 8.1 -2.0 4 4 A A E -ab 109 165A 0 160,-1.0 162,-2.2 104,-0.2 2,-0.4 -0.993 55.8-145.8-155.2 155.0 -12.9 8.0 -0.4 5 5 A V E -ab 110 166A 0 104,-2.2 106,-2.2 -2,-0.3 2,-0.6 -0.998 15.1-154.9-127.1 129.3 -10.7 6.0 2.0 6 6 A L E -ab 111 167A 0 160,-2.9 162,-2.2 -2,-0.4 2,-0.4 -0.947 16.2-161.7-110.0 112.1 -8.3 7.9 4.3 7 7 A F E -ab 112 168A 0 104,-2.9 106,-3.1 -2,-0.6 2,-0.2 -0.827 15.1-147.4-101.8 132.2 -5.3 5.8 5.3 8 8 A D - 0 0 13 160,-1.9 5,-0.4 -2,-0.4 106,-0.2 -0.504 18.1-143.0 -72.7 167.1 -2.9 6.3 8.2 9 9 A L S >>>S+ 0 0 0 3,-0.2 4,-1.9 -2,-0.2 5,-1.8 0.909 76.8 63.1 -94.4 -72.4 0.6 5.1 7.2 10 10 A D B 345S+f 14 0B 43 1,-0.2 160,-0.4 3,-0.2 5,-0.2 -0.357 118.4 9.1 -61.4 127.4 2.2 3.4 10.3 11 11 A G T 345S+ 0 0 9 3,-2.5 -1,-0.2 1,-0.1 4,-0.1 0.314 134.2 47.6 87.4 -8.0 0.2 0.4 11.4 12 12 A V T <45S+ 0 0 0 -3,-1.7 -2,-0.2 2,-0.5 -3,-0.2 0.629 123.4 18.8-123.6 -61.7 -2.0 0.3 8.3 13 13 A I T <5S- 0 0 0 -4,-1.9 80,-2.9 -5,-0.4 2,-0.3 0.848 132.7 -25.9 -81.4 -41.3 0.1 0.6 5.2 14 14 A T B < -f 10 0B 3 -5,-1.8 -3,-2.5 78,-0.2 2,-0.5 -0.928 64.3 -96.6-157.1 175.5 3.4 -0.3 6.7 15 15 A D + 0 0 50 76,-0.4 4,-0.2 -2,-0.3 -5,-0.1 -0.960 36.2 165.1-106.4 116.9 5.4 -0.4 10.0 16 16 A T >> + 0 0 11 -2,-0.5 4,-1.9 2,-0.1 3,-1.2 0.631 66.0 81.3 -98.2 -21.8 7.8 2.6 10.3 17 17 A A H 3> S+ 0 0 25 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.854 86.1 60.2 -58.7 -31.0 8.3 1.9 14.0 18 18 A E H 3> S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.811 105.3 46.0 -62.6 -34.8 11.0 -0.7 12.9 19 19 A Y H <> S+ 0 0 12 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.842 108.7 55.8 -78.7 -32.7 13.1 1.9 11.1 20 20 A H H X S+ 0 0 58 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.921 106.9 53.4 -60.6 -43.4 12.8 4.2 14.1 21 21 A F H X S+ 0 0 4 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.947 107.3 48.0 -53.0 -50.9 14.2 1.3 16.1 22 22 A R H X S+ 0 0 84 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.864 111.5 51.6 -60.8 -38.6 17.2 0.9 13.9 23 23 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.898 112.4 44.9 -66.7 -40.5 17.9 4.7 14.1 24 24 A W H X S+ 0 0 6 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.901 111.7 52.3 -70.8 -41.0 17.7 4.8 17.9 25 25 A K H X S+ 0 0 65 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.920 110.0 49.7 -60.5 -43.7 19.9 1.7 18.2 26 26 A A H X S+ 0 0 30 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.927 113.2 45.6 -62.1 -44.8 22.5 3.3 16.0 27 27 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.927 112.7 50.6 -63.6 -45.0 22.5 6.5 18.0 28 28 A A H X>S+ 0 0 1 -4,-3.1 5,-2.9 1,-0.2 4,-0.7 0.924 110.4 49.5 -62.1 -44.3 22.7 4.6 21.3 29 29 A E H ><5S+ 0 0 142 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.916 109.6 52.0 -60.0 -42.2 25.6 2.6 20.1 30 30 A E H 3<5S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 115.4 40.6 -63.2 -36.5 27.4 5.8 18.9 31 31 A I H 3<5S- 0 0 37 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.384 118.1-109.9 -99.2 6.1 27.0 7.4 22.3 32 32 A G T <<5 + 0 0 62 -3,-0.8 2,-0.5 -4,-0.7 -3,-0.2 0.789 65.6 144.2 79.3 34.4 27.7 4.3 24.3 33 33 A I < - 0 0 10 -5,-2.9 3,-0.4 -6,-0.2 -1,-0.2 -0.908 32.7-155.1-109.1 119.1 24.3 3.5 25.8 34 34 A N + 0 0 147 -2,-0.5 3,-0.1 1,-0.2 -5,-0.0 -0.504 63.5 53.0 -81.4 159.9 23.3 -0.2 26.1 35 35 A G + 0 0 41 1,-0.2 2,-1.7 -2,-0.2 5,-0.2 0.379 55.1 131.9 100.8 1.4 19.9 -1.6 26.3 36 36 A V + 0 0 12 -3,-0.4 -1,-0.2 -11,-0.1 2,-0.2 -0.615 39.2 141.8 -85.3 81.7 18.2 -0.2 23.1 37 37 A D > - 0 0 81 -2,-1.7 4,-2.6 -3,-0.1 -12,-0.0 -0.511 69.4 -84.5-114.4-173.5 16.8 -3.6 22.0 38 38 A R H > S+ 0 0 125 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.873 127.2 50.5 -67.9 -32.4 13.5 -4.7 20.4 39 39 A Q H >> S+ 0 0 117 2,-0.2 3,-1.1 1,-0.2 4,-0.6 0.928 110.1 49.4 -67.0 -50.0 11.7 -5.0 23.8 40 40 A F H >4 S+ 0 0 27 1,-0.2 3,-1.8 -5,-0.2 4,-0.2 0.913 102.3 63.6 -54.8 -40.5 12.8 -1.5 24.8 41 41 A N H >< S+ 0 0 20 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.774 90.0 66.8 -61.9 -22.0 11.6 -0.2 21.4 42 42 A E H X< S+ 0 0 130 -3,-1.1 3,-1.3 -4,-0.7 -1,-0.3 0.811 91.6 62.4 -62.4 -31.4 8.0 -1.3 22.4 43 43 A Q T << S+ 0 0 120 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.510 99.3 58.6 -69.3 -7.2 8.2 1.5 25.1 44 44 A L T X S+ 0 0 15 -3,-1.6 3,-1.8 -4,-0.2 2,-0.4 0.411 71.1 118.7-103.8 -0.9 8.6 3.9 22.1 45 45 A K T < S+ 0 0 154 -3,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.537 90.6 6.0 -67.7 126.8 5.4 3.2 20.3 46 46 A G T 3 S+ 0 0 89 -2,-0.4 2,-0.4 1,-0.3 -1,-0.3 0.493 104.4 128.6 82.8 5.9 3.3 6.4 20.2 47 47 A V < - 0 0 42 -3,-1.8 -1,-0.3 1,-0.1 -3,-0.0 -0.782 58.9-114.2-106.1 139.1 6.1 8.4 21.7 48 48 A S > - 0 0 49 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.095 27.5-111.8 -62.8 162.3 7.6 11.7 20.5 49 49 A R H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 119.6 47.6 -61.2 -41.2 11.2 12.0 19.3 50 50 A E H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 113.6 45.1 -69.3 -45.3 12.0 14.1 22.3 51 51 A D H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 113.2 53.0 -64.0 -38.0 10.3 11.8 24.9 52 52 A S H X S+ 0 0 3 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.928 107.8 50.3 -63.1 -46.5 12.0 8.8 23.1 53 53 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.924 108.5 52.5 -60.6 -42.9 15.4 10.3 23.4 54 54 A Q H X S+ 0 0 70 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.914 106.3 53.2 -58.9 -37.0 14.8 11.0 27.1 55 55 A K H X S+ 0 0 82 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.888 110.3 48.6 -66.1 -36.7 13.9 7.3 27.6 56 56 A I H >< S+ 0 0 0 -4,-1.9 3,-0.7 2,-0.2 4,-0.4 0.933 110.8 48.8 -67.7 -46.7 17.2 6.3 25.9 57 57 A L H ><>S+ 0 0 2 -4,-2.8 5,-2.7 1,-0.2 3,-1.7 0.885 105.6 60.8 -59.0 -35.0 19.3 8.8 28.1 58 58 A D H ><5S+ 0 0 81 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.795 88.0 71.3 -63.8 -30.0 17.5 7.3 31.1 59 59 A L T <<5S+ 0 0 74 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.738 113.3 28.7 -55.1 -27.0 18.9 3.9 30.3 60 60 A A T < 5S- 0 0 55 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.081 110.5-116.3-119.6 20.9 22.3 5.4 31.5 61 61 A D T < 5 + 0 0 119 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.863 60.3 171.7 42.5 43.9 20.9 7.9 33.9 62 62 A K < - 0 0 62 -5,-2.7 2,-0.4 -8,-0.1 -1,-0.2 -0.660 25.7-163.6 -98.8 137.1 22.4 10.4 31.5 63 63 A K + 0 0 147 -2,-0.3 2,-0.3 -3,-0.1 0, 0.0 -0.932 13.3 178.4-116.4 130.7 21.9 14.2 31.7 64 64 A V - 0 0 36 -2,-0.4 2,-0.0 1,-0.0 -7,-0.0 -0.923 32.5 -96.1-129.0 162.1 22.8 16.4 28.7 65 65 A S > - 0 0 70 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.286 38.8-109.3 -65.8 161.2 22.6 20.1 27.9 66 66 A A H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.901 121.3 50.8 -61.6 -37.4 19.6 21.4 26.0 67 67 A E H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 111.5 46.7 -67.1 -41.2 21.9 22.0 23.0 68 68 A E H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 110.3 53.2 -67.1 -39.0 23.3 18.5 23.1 69 69 A F H X S+ 0 0 39 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.946 110.2 48.0 -59.2 -47.8 19.7 17.1 23.5 70 70 A K H X S+ 0 0 143 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 112.2 49.7 -57.4 -42.5 18.7 19.0 20.4 71 71 A E H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.878 109.3 50.7 -66.9 -38.1 21.7 17.7 18.5 72 72 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.905 110.1 49.7 -66.3 -41.8 21.1 14.1 19.5 73 73 A A H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 111.0 50.6 -64.7 -37.5 17.5 14.3 18.4 74 74 A K H X S+ 0 0 102 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.946 109.1 50.4 -62.1 -46.8 18.7 15.7 15.1 75 75 A R H X S+ 0 0 65 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.894 107.8 54.0 -62.7 -35.9 21.3 12.8 14.7 76 76 A K H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.918 108.6 48.9 -63.0 -41.9 18.5 10.3 15.3 77 77 A N H X S+ 0 0 41 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.922 109.9 51.2 -63.5 -45.0 16.5 11.9 12.5 78 78 A D H X S+ 0 0 53 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.922 111.4 48.8 -54.7 -44.9 19.5 11.8 10.2 79 79 A N H X S+ 0 0 21 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.916 108.8 52.3 -59.6 -42.9 19.9 8.1 11.1 80 80 A Y H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.937 107.7 52.3 -62.0 -42.5 16.1 7.4 10.5 81 81 A V H < S+ 0 0 54 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.912 111.4 46.7 -63.0 -37.0 16.4 9.0 7.0 82 82 A K H >< S+ 0 0 125 -4,-1.9 3,-1.1 -5,-0.2 4,-0.3 0.915 111.9 51.9 -66.0 -43.5 19.4 6.7 6.2 83 83 A M H >< S+ 0 0 43 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.909 102.6 58.0 -63.8 -38.7 17.5 3.7 7.6 84 84 A I G >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.576 81.2 83.2 -77.5 -4.4 14.4 4.3 5.5 85 85 A Q G < S+ 0 0 81 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.799 88.4 59.7 -59.0 -26.1 16.4 4.1 2.2 86 86 A D G < S+ 0 0 103 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.526 76.3 116.6 -81.0 -7.9 15.9 0.4 2.7 87 87 A V < + 0 0 8 -3,-1.6 -3,-0.0 -4,-0.1 0, 0.0 -0.331 41.1 163.7 -58.7 141.1 12.1 0.6 2.6 88 88 A S > - 0 0 43 38,-0.1 3,-2.3 39,-0.0 4,-0.3 -0.893 57.0 -79.1-145.4 179.0 10.7 -1.4 -0.3 89 89 A P G > S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 37,-0.1 0.747 121.2 72.2 -57.9 -18.7 7.5 -2.9 -1.6 90 90 A A G 3 S+ 0 0 89 1,-0.2 36,-0.1 0, 0.0 -3,-0.1 0.676 86.6 65.1 -66.9 -19.3 8.1 -5.8 0.8 91 91 A D G < S+ 0 0 33 -3,-2.3 -76,-0.4 2,-0.1 -1,-0.2 0.647 75.2 111.6 -77.9 -12.3 7.3 -3.4 3.6 92 92 A V S < S- 0 0 28 -3,-1.4 -78,-0.2 -4,-0.3 3,-0.1 -0.340 73.1-117.7 -71.4 131.4 3.6 -3.1 2.4 93 93 A Y >> - 0 0 73 -80,-2.9 3,-1.3 1,-0.1 4,-0.6 -0.323 41.8 -79.8 -67.5 154.1 1.2 -4.7 4.9 94 94 A P T 34 S+ 0 0 85 0, 0.0 113,-0.2 0, 0.0 -1,-0.1 -0.205 111.4 9.0 -57.8 139.1 -1.0 -7.7 3.7 95 95 A G T 3> S+ 0 0 33 -3,-0.1 4,-2.4 110,-0.1 5,-0.2 0.084 99.2 102.4 85.1 -24.1 -4.1 -6.8 1.7 96 96 A I H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.893 78.2 48.2 -63.6 -46.4 -3.2 -3.1 1.3 97 97 A L H X S+ 0 0 69 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.935 113.0 48.7 -63.4 -42.2 -1.9 -3.2 -2.3 98 98 A Q H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 112.0 50.9 -64.6 -37.7 -5.0 -5.2 -3.5 99 99 A L H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.929 108.9 49.6 -61.7 -48.2 -7.2 -2.7 -1.7 100 100 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.917 112.0 49.1 -58.3 -44.1 -5.6 0.3 -3.3 101 101 A K H X S+ 0 0 85 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.910 113.0 46.6 -58.4 -44.5 -5.9 -1.3 -6.7 102 102 A D H X S+ 0 0 53 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.873 112.6 49.4 -70.4 -37.5 -9.6 -2.1 -6.2 103 103 A L H <>S+ 0 0 0 -4,-2.9 5,-2.7 -5,-0.2 3,-0.4 0.956 113.5 47.3 -66.1 -44.7 -10.4 1.4 -4.8 104 104 A R H ><5S+ 0 0 153 -4,-2.3 3,-1.8 -5,-0.2 -2,-0.2 0.916 109.5 51.4 -62.7 -48.5 -8.6 2.9 -7.8 105 105 A S H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.760 111.2 50.0 -64.8 -23.4 -10.3 0.8 -10.4 106 106 A N T 3<5S- 0 0 83 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.222 116.1-114.6 -94.8 11.1 -13.7 1.7 -8.8 107 107 A K T < 5 + 0 0 171 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.814 64.1 150.5 56.3 37.6 -12.9 5.4 -8.9 108 108 A I < - 0 0 12 -5,-2.7 -104,-0.2 -6,-0.2 -1,-0.2 -0.860 49.5-115.3 -96.0 127.9 -12.9 5.7 -5.1 109 109 A K E -a 4 0A 83 -106,-2.5 -104,-2.2 -2,-0.5 2,-0.4 -0.297 25.3-153.1 -68.8 147.5 -10.5 8.4 -3.9 110 110 A I E +a 5 0A 0 -106,-0.2 23,-2.7 21,-0.1 24,-1.4 -0.991 17.6 173.0-127.3 120.9 -7.4 7.5 -1.9 111 111 A A E -ac 6 134A 0 -106,-2.2 -104,-2.9 -2,-0.4 2,-0.5 -0.982 28.3-131.3-129.1 150.9 -5.7 9.8 0.6 112 112 A L E -ac 7 135A 2 22,-2.0 24,-2.8 -2,-0.3 -104,-0.2 -0.824 18.8-179.4 -97.7 129.5 -2.9 9.6 3.1 113 113 A A + 0 0 0 -106,-3.1 2,-0.3 -2,-0.5 38,-0.1 -0.561 33.2 138.2-125.3 67.8 -3.7 11.1 6.6 114 114 A S - 0 0 8 22,-0.4 5,-0.1 -106,-0.2 -106,-0.1 -0.876 58.1-140.8-119.6 144.6 -0.4 10.4 8.4 115 115 A A + 0 0 67 -2,-0.3 2,-0.2 22,-0.1 -1,-0.1 0.476 65.8 125.9 -70.4 -9.4 1.7 12.5 10.8 116 116 A S > - 0 0 24 1,-0.2 3,-1.3 2,-0.1 -2,-0.1 -0.387 51.9-158.6 -60.7 122.2 4.8 11.1 9.0 117 117 A K T 3 S+ 0 0 167 -2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.586 97.2 49.5 -72.2 -7.7 7.1 13.8 7.8 118 118 A N T 3> S+ 0 0 38 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 0.072 74.0 120.8-113.7 20.6 8.4 11.2 5.3 119 119 A G H <> S+ 0 0 0 -3,-1.3 4,-2.8 1,-0.2 5,-0.2 0.911 74.3 45.4 -57.1 -52.4 5.1 10.0 4.0 120 120 A P H > S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.924 115.0 49.0 -61.1 -41.6 5.6 10.8 0.3 121 121 A F H > S+ 0 0 51 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.920 111.9 49.1 -58.0 -46.2 9.1 9.3 0.3 122 122 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.923 109.9 50.4 -67.1 -40.5 7.9 6.2 2.0 123 123 A L H <>S+ 0 0 0 -4,-2.8 5,-3.0 -5,-0.2 6,-0.7 0.886 111.8 49.1 -61.8 -39.0 5.0 5.8 -0.4 124 124 A E H ><5S+ 0 0 127 -4,-2.2 3,-1.6 -5,-0.2 -2,-0.2 0.930 109.0 51.7 -63.5 -44.8 7.5 6.2 -3.3 125 125 A R H 3<5S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.833 111.9 47.6 -60.8 -34.6 9.9 3.6 -1.8 126 126 A M T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -38,-0.2 -2,-0.2 0.384 113.8-119.6 -86.7 3.2 6.9 1.2 -1.5 127 127 A N T < 5S+ 0 0 128 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.814 81.7 116.8 63.9 31.4 5.8 1.8 -5.1 128 128 A L >>< + 0 0 3 -5,-3.0 3,-2.0 -6,-0.2 4,-0.6 0.507 33.5 98.5-105.2 -7.5 2.5 3.1 -4.0 129 129 A T G >4 S+ 0 0 62 -6,-0.7 3,-1.4 1,-0.3 -1,-0.1 0.831 75.5 64.5 -55.0 -37.9 2.5 6.8 -5.1 130 130 A G G 34 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.628 99.7 53.2 -63.6 -17.7 0.5 6.1 -8.2 131 131 A Y G <4 S+ 0 0 52 -3,-2.0 2,-0.5 -22,-0.0 -1,-0.3 0.633 89.5 93.4 -86.8 -19.0 -2.6 5.0 -6.2 132 132 A F << - 0 0 23 -3,-1.4 -21,-0.2 -4,-0.6 3,-0.1 -0.678 47.1-174.2 -88.9 128.6 -2.7 8.2 -4.0 133 133 A D S S- 0 0 83 -23,-2.7 2,-0.3 -2,-0.5 -22,-0.2 0.749 76.5 -2.9 -84.4 -27.3 -5.0 11.1 -5.0 134 134 A A E -c 111 0A 16 -24,-1.4 -22,-2.0 2,-0.0 2,-0.4 -0.986 51.1-149.0-158.3 158.1 -3.6 13.2 -2.1 135 135 A I E -c 112 0A 57 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.996 27.5-132.9-124.8 117.6 -1.3 13.2 0.9 136 136 A A - 0 0 6 -24,-2.8 -22,-0.4 -2,-0.4 18,-0.1 -0.631 24.5-127.9 -68.5 123.5 -2.4 15.5 3.7 137 137 A D > - 0 0 84 -2,-0.4 3,-1.8 1,-0.2 4,-0.3 -0.643 13.6-158.8 -75.6 113.3 0.7 17.5 4.7 138 138 A P G > S+ 0 0 28 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.790 88.9 68.8 -67.8 -18.6 1.1 17.2 8.4 139 139 A A G 3 S+ 0 0 79 1,-0.2 -2,-0.1 -3,-0.0 -24,-0.0 0.671 99.6 51.2 -67.6 -17.3 3.2 20.4 8.5 140 140 A E G < S+ 0 0 156 -3,-1.8 2,-0.4 10,-0.0 -1,-0.2 0.369 88.1 97.7 -99.3 0.6 -0.0 22.3 7.6 141 141 A V < - 0 0 35 -3,-1.2 3,-0.1 -4,-0.3 9,-0.0 -0.805 59.1-154.6 -95.4 134.9 -2.2 20.8 10.4 142 142 A A S S+ 0 0 102 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.803 79.0 31.8 -71.3 -36.9 -2.7 22.9 13.6 143 143 A A S S- 0 0 38 3,-0.0 7,-0.4 4,-0.0 -1,-0.2 -0.993 75.4-134.5-134.6 133.2 -3.5 19.9 15.9 144 144 A S > - 0 0 91 -2,-0.4 3,-2.4 1,-0.2 5,-0.1 -0.334 51.5 -39.4 -78.5 164.0 -2.3 16.3 15.9 145 145 A K T 3 S+ 0 0 36 1,-0.4 29,-0.2 3,-0.1 -1,-0.2 -0.320 123.7 47.4 -50.3 136.5 -4.4 13.2 16.3 146 146 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.4 0, 0.0 34,-0.2 -0.963 102.7 84.3 -77.1 -2.2 -6.8 12.8 18.3 147 147 A A S < S- 0 0 24 -3,-2.4 3,-0.5 1,-0.1 4,-0.2 -0.402 82.9-134.0 -56.8 141.6 -7.7 16.2 16.7 148 148 A P S >> S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 3,-1.0 0.542 76.4 107.5 -79.6 -5.9 -9.6 15.4 13.5 149 149 A D H 3> S+ 0 0 50 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.778 75.6 48.8 -43.6 -49.4 -7.6 18.0 11.5 150 150 A I H 3> S+ 0 0 7 -3,-0.5 4,-2.2 -7,-0.4 -1,-0.3 0.868 113.7 46.5 -67.3 -36.5 -5.5 15.6 9.4 151 151 A F H <> S+ 0 0 0 -3,-1.0 4,-2.3 -4,-0.2 -1,-0.2 0.880 112.3 50.4 -70.5 -37.5 -8.5 13.5 8.4 152 152 A I H X S+ 0 0 53 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.959 112.5 47.8 -63.6 -45.0 -10.5 16.6 7.5 153 153 A A H X S+ 0 0 37 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.884 110.5 51.3 -61.0 -43.8 -7.5 17.8 5.4 154 154 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.907 112.5 46.1 -61.8 -49.6 -7.1 14.4 3.6 155 155 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-1.4 0.962 113.4 48.3 -57.5 -49.4 -10.8 14.2 2.7 156 156 A H H ><5S+ 0 0 114 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.881 103.7 61.5 -59.8 -37.8 -10.9 17.8 1.4 157 157 A A H 3<5S+ 0 0 60 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.651 107.5 44.5 -65.9 -18.8 -7.7 17.2 -0.6 158 158 A V T <<5S- 0 0 16 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.269 123.4-104.3-107.2 10.2 -9.5 14.6 -2.7 159 159 A G T < 5S+ 0 0 68 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.721 82.2 113.5 81.7 24.5 -12.7 16.7 -3.0 160 160 A V < - 0 0 15 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.2 -0.857 66.5-117.8-123.7 154.4 -14.9 14.9 -0.5 161 161 A A > - 0 0 39 -2,-0.3 3,-2.5 1,-0.1 4,-0.1 -0.692 34.7-116.2 -79.7 147.1 -16.5 15.7 2.8 162 162 A P G > S+ 0 0 12 0, 0.0 3,-2.5 0, 0.0 22,-0.3 0.858 114.4 68.4 -52.5 -34.7 -15.2 13.5 5.6 163 163 A S G 3 S+ 0 0 81 1,-0.3 19,-0.1 18,-0.2 20,-0.0 0.679 96.0 54.4 -57.9 -16.2 -18.8 12.2 5.9 164 164 A E G < S+ 0 0 69 -3,-2.5 -161,-3.0 -162,-0.1 -160,-1.0 0.260 103.8 83.4 -92.2 3.0 -18.3 10.5 2.5 165 165 A S E < -b 4 0A 0 -3,-2.5 19,-2.7 -163,-0.2 2,-0.4 -0.804 63.3-144.3-119.5 154.0 -15.2 8.7 3.7 166 166 A I E -bd 5 184A 0 -162,-2.2 -160,-2.9 -2,-0.3 2,-0.4 -0.930 20.9-153.3-102.8 140.8 -13.9 5.7 5.6 167 167 A G E -bd 6 185A 0 17,-2.5 19,-2.7 -2,-0.4 2,-0.5 -0.949 1.2-154.5-114.7 134.6 -10.8 6.1 7.8 168 168 A L E +bd 7 186A 0 -162,-2.2 -160,-1.9 -2,-0.4 2,-0.3 -0.946 27.2 154.3-109.2 125.9 -8.4 3.2 8.5 169 169 A E E - d 0 187A 0 17,-1.1 19,-1.8 -2,-0.5 -158,-0.1 -0.983 40.1-158.8-152.8 152.6 -6.3 3.4 11.7 170 170 A D S S+ 0 0 31 -160,-0.4 2,-0.3 -2,-0.3 20,-0.2 0.254 74.1 74.7-113.9 7.0 -4.5 1.2 14.3 171 171 A S S > S- 0 0 40 1,-0.1 4,-2.8 18,-0.1 5,-0.2 -0.906 74.3-130.7-126.7 146.9 -4.4 3.7 17.2 172 172 A Q H > S+ 0 0 91 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.922 111.4 51.5 -57.8 -45.4 -7.0 5.0 19.6 173 173 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 111.7 48.3 -59.1 -42.1 -5.9 8.6 19.0 174 174 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.910 108.9 52.0 -67.5 -38.8 -6.4 8.0 15.2 175 175 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.922 110.5 49.3 -60.5 -41.6 -9.8 6.3 15.7 176 176 A Q H X S+ 0 0 55 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.930 109.5 51.6 -64.7 -42.7 -10.9 9.4 17.7 177 177 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.908 110.9 47.7 -59.5 -47.0 -9.6 11.7 15.0 178 178 A I H >X>S+ 0 0 0 -4,-2.3 5,-1.0 2,-0.2 4,-1.0 0.967 113.3 48.6 -54.6 -55.1 -11.6 9.8 12.3 179 179 A K H ><5S+ 0 0 59 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.940 111.9 48.1 -51.0 -50.6 -14.7 9.8 14.5 180 180 A D H 3<5S+ 0 0 95 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.703 105.3 59.2 -74.2 -13.6 -14.4 13.6 15.2 181 181 A S H <<5S- 0 0 16 -4,-1.2 -1,-0.3 -3,-0.7 -18,-0.2 0.751 114.5-113.4 -77.9 -20.6 -13.9 14.3 11.5 182 182 A G T <<5S+ 0 0 45 -3,-1.1 -3,-0.2 -4,-1.0 -2,-0.1 0.241 77.0 125.3 98.4 -7.5 -17.3 12.8 10.5 183 183 A A < - 0 0 7 -5,-1.0 -1,-0.4 -6,-0.2 -17,-0.2 -0.321 69.2-104.4 -77.9 163.1 -15.6 9.9 8.6 184 184 A L E -d 166 0A 37 -19,-2.7 -17,-2.5 -22,-0.3 2,-0.3 -0.847 35.5-142.3 -91.6 117.3 -16.4 6.2 9.4 185 185 A P E -d 167 0A 11 0, 0.0 14,-0.7 0, 0.0 2,-0.5 -0.581 19.1-176.9 -76.8 138.9 -13.6 4.5 11.3 186 186 A I E -de 168 199A 0 -19,-2.7 -17,-1.1 -2,-0.3 14,-0.2 -0.950 21.3-154.7-128.0 110.0 -12.6 0.9 10.7 187 187 A G E -de 169 200A 0 12,-2.6 14,-2.6 -2,-0.5 2,-0.4 -0.385 11.8-149.1 -80.6 157.7 -9.9 -0.0 13.1 188 188 A V E + e 0 201A 12 -19,-1.8 2,-0.3 12,-0.2 16,-0.1 -0.989 69.7 34.9-124.7 117.9 -7.2 -2.7 12.9 189 189 A G S S- 0 0 29 12,-2.6 -18,-0.1 -2,-0.4 -19,-0.0 -0.988 98.9 -34.3 147.0-135.1 -6.2 -4.2 16.2 190 190 A R >> - 0 0 160 -2,-0.3 4,-2.6 -20,-0.2 3,-1.5 -0.952 38.8-126.0-134.3 142.0 -8.2 -4.9 19.4 191 191 A P H 3> S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 6,-0.1 0.794 108.5 66.7 -62.8 -26.7 -11.1 -3.2 21.2 192 192 A E H 34 S+ 0 0 152 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.813 114.6 29.6 -55.9 -35.4 -9.1 -3.1 24.4 193 193 A D H <4 S+ 0 0 94 -3,-1.5 -1,-0.2 2,-0.1 -21,-0.1 0.822 131.3 32.2 -91.9 -40.2 -6.8 -0.6 22.6 194 194 A L H < S- 0 0 3 -4,-2.6 2,-0.2 1,-0.2 -2,-0.2 0.740 111.9 -87.6 -99.9 -27.5 -9.1 1.1 20.1 195 195 A G < - 0 0 22 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.2 -0.462 20.4-108.5 130.5 158.8 -12.6 1.3 21.7 196 196 A D S S+ 0 0 155 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.1 0.361 103.7 65.9 -99.3 6.1 -15.8 -0.8 22.0 197 197 A D S S+ 0 0 109 -6,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.166 89.0 66.2-119.4 12.8 -17.9 1.3 19.6 198 198 A I S S- 0 0 30 -3,-0.4 2,-0.3 -14,-0.0 -12,-0.1 -0.915 87.0 -95.2-129.2 159.5 -16.3 0.9 16.2 199 199 A V E -e 186 0A 36 -14,-0.7 -12,-2.6 -2,-0.3 2,-0.4 -0.616 46.0-171.0 -70.1 132.6 -15.8 -1.9 13.7 200 200 A I E -e 187 0A 42 -2,-0.3 -12,-0.2 -14,-0.2 -10,-0.0 -0.984 14.3-160.2-130.2 139.4 -12.4 -3.5 14.1 201 201 A V E -e 188 0A 4 -14,-2.6 -12,-2.6 -2,-0.4 3,-0.1 -0.867 24.1-128.8-113.5 151.5 -10.5 -6.1 12.1 202 202 A P S S- 0 0 89 0, 0.0 2,-0.3 0, 0.0 -14,-0.1 0.776 84.6 -4.9 -72.8 -27.4 -7.7 -8.2 13.5 203 203 A D S > S- 0 0 66 -15,-0.1 3,-1.7 -3,-0.0 4,-0.1 -0.953 78.7 -93.9-158.3 167.3 -5.2 -7.4 10.7 204 204 A T G > S+ 0 0 6 -2,-0.3 3,-1.9 1,-0.3 -192,-0.0 0.652 108.5 78.4 -67.2 -18.3 -5.0 -5.6 7.4 205 205 A S G 3 S+ 0 0 58 1,-0.3 -1,-0.3 -110,-0.1 -110,-0.1 0.769 90.2 59.9 -63.3 -17.5 -5.7 -8.7 5.3 206 206 A H G < S+ 0 0 82 -3,-1.7 2,-1.7 1,-0.1 -1,-0.3 0.526 77.2 97.4 -86.3 -7.8 -9.3 -8.1 6.3 207 207 A Y < + 0 0 2 -3,-1.9 2,-0.3 -113,-0.2 -108,-0.2 -0.626 54.3 150.8 -82.9 83.7 -9.3 -4.7 4.7 208 208 A T > - 0 0 58 -2,-1.7 4,-2.6 1,-0.1 5,-0.2 -0.828 59.2-118.6-110.0 154.5 -11.0 -5.7 1.4 209 209 A L H > S+ 0 0 13 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.934 117.0 54.7 -56.7 -41.6 -13.1 -3.5 -0.8 210 210 A E H > S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 108.8 46.0 -57.2 -46.5 -16.0 -6.0 -0.2 211 211 A F H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 111.9 51.2 -65.2 -45.2 -15.7 -5.7 3.6 212 212 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.914 110.1 49.8 -58.3 -40.8 -15.5 -1.9 3.5 213 213 A K H X S+ 0 0 83 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.911 111.2 49.8 -65.4 -42.8 -18.6 -1.8 1.3 214 214 A E H X S+ 0 0 81 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 111.8 46.9 -60.0 -49.3 -20.5 -4.1 3.8 215 215 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.908 111.1 52.3 -61.1 -42.2 -19.6 -2.1 6.8 216 216 A W H X S+ 0 0 24 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.944 113.2 43.6 -60.6 -47.4 -20.6 1.2 5.0 217 217 A L H < S+ 0 0 111 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.873 112.9 52.0 -65.4 -38.0 -24.0 -0.3 4.1 218 218 A Q H >< S+ 0 0 105 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.858 112.1 46.8 -66.7 -34.7 -24.5 -1.8 7.6 219 219 A K H 3< S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.619 96.0 72.0 -85.5 -13.9 -23.7 1.6 9.2 220 220 A Q T 3< 0 0 132 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.613 360.0 360.0 -76.4 -13.6 -26.0 3.6 6.8 221 221 A K < 0 0 225 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.1 0.669 360.0 360.0-105.5 360.0 -29.0 2.1 8.7