==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-APR-09 2WF8 . 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,A.M.H . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.0 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 . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 1 0 2 2 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 0 120 0, 0.0 212,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 148.0 8.7 22.3 14.8 2 2 A F - 0 0 2 1,-0.1 163,-0.2 210,-0.1 3,-0.1 -0.348 360.0-162.4 -60.9 148.8 10.0 18.7 14.9 3 3 A K + 0 0 134 161,-3.0 106,-2.5 1,-0.2 2,-0.3 0.451 65.2 31.2-115.8 -6.3 13.7 18.4 14.2 4 4 A A E -ab 109 165A 0 160,-1.0 162,-2.1 104,-0.2 2,-0.4 -0.990 56.0-151.0-148.7 151.4 14.1 14.7 13.4 5 5 A V E -ab 110 166A 0 104,-2.4 106,-2.2 -2,-0.3 2,-0.7 -0.998 15.1-154.2-121.3 129.9 12.1 11.8 11.9 6 6 A L E -ab 111 167A 0 160,-3.2 162,-2.4 -2,-0.4 2,-0.6 -0.916 16.2-154.5-108.8 108.6 13.0 8.4 13.2 7 7 A F E -ab 112 168A 0 104,-3.0 106,-3.1 -2,-0.7 162,-0.1 -0.776 11.9-151.9 -95.0 123.5 12.2 5.7 10.6 8 8 A D - 0 0 3 160,-2.0 106,-0.2 -2,-0.6 5,-0.1 -0.454 16.8-152.7 -65.0 158.8 11.4 2.1 11.2 9 9 A L >>> + 0 0 0 3,-0.2 4,-2.3 1,-0.1 3,-2.3 0.837 66.7 69.2-101.1 -66.7 12.4 0.1 8.1 10 10 A D B 345S+f 14 0B 21 1,-0.3 160,-0.3 2,-0.2 5,-0.2 -0.401 119.6 3.0 -69.9 123.3 10.3 -3.1 7.7 11 11 A G T 345S+ 0 0 8 3,-2.6 -1,-0.3 -2,-0.3 4,-0.1 0.418 132.1 58.6 83.3 -0.5 6.8 -2.2 6.7 12 12 A V T <45S+ 0 0 0 -3,-2.3 -2,-0.2 2,-0.4 -3,-0.2 0.651 114.8 24.9-120.5 -53.7 7.5 1.6 6.6 13 13 A I T <5S- 0 0 0 -4,-2.3 80,-2.8 1,-0.3 2,-0.3 0.816 136.6 -10.6 -81.8 -34.0 10.3 2.1 4.0 14 14 A T B > > S+ 0 0 81 76,-0.5 3,-0.8 -2,-0.3 4,-0.7 -0.100 77.8 120.2 -78.5 32.3 7.4 -4.3 2.2 16 16 A T H 3> + 0 0 1 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.677 59.5 74.3 -78.7 -15.8 10.1 -6.4 4.0 17 17 A A H <> S+ 0 0 12 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.888 94.4 55.7 -55.8 -35.5 7.7 -7.1 6.9 18 18 A E H <> S+ 0 0 27 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.895 107.6 47.1 -62.2 -42.6 6.0 -9.5 4.4 19 19 A Y H X S+ 0 0 82 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.881 109.5 52.1 -70.3 -39.5 9.3 -11.3 3.9 20 20 A H H X S+ 0 0 30 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.929 111.2 49.7 -58.2 -44.8 10.0 -11.6 7.6 21 21 A F H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.942 111.5 46.8 -57.7 -52.6 6.6 -13.1 8.1 22 22 A R H X S+ 0 0 134 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.901 114.3 47.9 -61.0 -40.0 7.0 -15.6 5.3 23 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.923 113.3 46.5 -69.1 -43.0 10.5 -16.7 6.5 24 24 A W H X S+ 0 0 6 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.888 111.7 51.7 -65.9 -40.1 9.4 -17.1 10.2 25 25 A K H X S+ 0 0 63 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.921 109.6 49.4 -62.1 -43.9 6.3 -19.0 9.1 26 26 A A H X S+ 0 0 40 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.913 113.8 46.9 -59.4 -44.3 8.4 -21.4 7.0 27 27 A L H X S+ 0 0 4 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.945 110.9 50.7 -63.1 -50.0 10.8 -21.9 10.0 28 28 A A H ><>S+ 0 0 1 -4,-2.9 5,-2.7 1,-0.2 3,-0.5 0.927 110.8 49.1 -55.7 -46.2 8.0 -22.5 12.5 29 29 A E H ><5S+ 0 0 95 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.853 102.6 61.3 -67.0 -33.4 6.4 -25.1 10.3 30 30 A E H 3<5S+ 0 0 121 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 109.7 43.0 -58.8 -36.3 9.7 -26.9 9.8 31 31 A I T <<5S- 0 0 26 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.302 126.9-101.3 -94.3 10.8 9.8 -27.5 13.6 32 32 A G T < 5S+ 0 0 56 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.697 79.7 131.2 84.0 20.7 6.1 -28.4 13.7 33 33 A I < + 0 0 8 -5,-2.7 3,-0.3 -6,-0.2 -1,-0.2 -0.938 25.2 173.8-107.3 117.2 4.6 -25.1 14.9 34 34 A N + 0 0 117 -2,-0.6 -1,-0.1 1,-0.2 -5,-0.1 0.356 53.1 91.9-108.7 5.4 1.7 -24.0 12.8 35 35 A G + 0 0 31 21,-0.1 2,-1.7 1,-0.1 5,-0.2 0.424 50.8 107.2 -85.2 -0.3 0.4 -21.0 14.7 36 36 A V + 0 0 1 -3,-0.3 2,-0.2 -11,-0.1 -1,-0.1 -0.604 46.2 143.9 -83.0 84.4 2.4 -18.3 12.8 37 37 A D > - 0 0 70 -2,-1.7 4,-2.7 1,-0.0 -2,-0.0 -0.506 69.0 -86.4-107.7-178.3 -0.4 -16.7 10.8 38 38 A R H > S+ 0 0 145 1,-0.2 4,-0.8 2,-0.2 -2,-0.0 0.896 127.7 51.8 -63.1 -36.5 -0.8 -13.1 9.9 39 39 A Q H >4 S+ 0 0 163 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.952 112.6 44.5 -63.1 -49.8 -2.7 -12.3 13.1 40 40 A F H >4 S+ 0 0 18 1,-0.2 3,-2.4 -5,-0.2 4,-0.3 0.880 103.0 67.1 -59.5 -39.6 0.1 -13.8 15.2 41 41 A N H >X S+ 0 0 10 -4,-2.7 3,-1.5 1,-0.3 4,-1.5 0.716 81.6 75.0 -58.9 -20.4 2.7 -12.1 13.1 42 42 A E T << S+ 0 0 20 -3,-1.2 130,-0.5 -4,-0.8 131,-0.4 0.831 94.3 54.2 -58.9 -27.5 1.5 -8.7 14.5 43 43 A Q T <4 S+ 0 0 102 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.575 108.8 48.7 -80.1 -11.3 3.4 -9.8 17.7 44 44 A L T X4 S+ 0 0 7 -3,-1.5 3,-1.9 -4,-0.3 -2,-0.2 0.644 81.7 107.9 -99.7 -21.7 6.5 -10.4 15.6 45 45 A K T 3< S+ 0 0 50 -4,-1.5 128,-0.5 1,-0.3 129,-0.2 -0.388 94.9 4.8 -61.3 130.9 6.7 -7.1 13.7 46 46 A G T 3 S+ 0 0 17 1,-0.2 2,-0.3 127,-0.1 99,-0.3 0.433 101.6 125.6 77.9 2.3 9.4 -4.9 15.1 47 47 A V < - 0 0 15 -3,-1.9 -1,-0.2 1,-0.1 5,-0.1 -0.712 66.4 -99.7 -99.5 142.4 10.7 -7.5 17.4 48 48 A S > - 0 0 11 97,-0.4 4,-2.6 -2,-0.3 5,-0.2 -0.021 32.7-107.4 -57.9 161.1 14.4 -8.7 17.4 49 49 A R H > S+ 0 0 58 66,-0.3 4,-2.2 1,-0.2 5,-0.2 0.937 119.9 41.9 -54.8 -48.4 15.4 -11.9 15.7 50 50 A E H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 115.2 48.9 -71.3 -42.0 16.0 -13.8 19.0 51 51 A D H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 110.1 54.2 -65.8 -32.9 12.8 -12.4 20.7 52 52 A S H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.943 108.9 46.1 -65.4 -48.5 10.9 -13.4 17.6 53 53 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.923 111.5 53.2 -59.9 -42.6 12.0 -17.0 17.6 54 54 A Q H X S+ 0 0 74 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.902 107.0 51.4 -62.3 -39.8 11.3 -17.1 21.4 55 55 A K H X S+ 0 0 83 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.886 110.6 49.6 -62.4 -38.1 7.7 -15.9 20.8 56 56 A I H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.939 111.8 47.1 -65.8 -46.5 7.3 -18.6 18.2 57 57 A L H <>S+ 0 0 2 -4,-2.7 5,-3.0 1,-0.2 3,-0.2 0.874 112.8 50.9 -61.8 -36.0 8.6 -21.3 20.5 58 58 A D H ><5S+ 0 0 93 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.856 97.7 65.6 -71.2 -38.2 6.4 -20.0 23.3 59 59 A L H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.907 115.6 30.9 -45.5 -44.6 3.3 -20.1 21.1 60 60 A A T 3<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.360 109.6-120.8 -96.7 3.1 3.7 -23.8 21.1 61 61 A D T < 5 + 0 0 134 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.957 59.2 160.7 48.2 55.0 5.3 -24.1 24.6 62 62 A K < - 0 0 78 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.900 30.6-159.6-110.1 133.0 8.3 -25.7 22.9 63 63 A K + 0 0 186 -2,-0.4 2,-0.3 -3,-0.1 -5,-0.0 -0.912 13.4 177.5-106.4 138.2 11.8 -26.0 24.4 64 64 A V - 0 0 33 -2,-0.4 2,-0.0 1,-0.0 -7,-0.0 -0.873 36.8 -91.0-126.8 163.4 14.8 -26.5 22.1 65 65 A S > - 0 0 60 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.339 35.6-112.0 -67.9 160.9 18.5 -26.7 23.0 66 66 A A H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.892 121.1 52.9 -59.3 -38.7 20.6 -23.6 23.0 67 67 A E H > S+ 0 0 162 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 110.3 46.0 -63.7 -45.6 22.4 -25.1 20.0 68 68 A E H > S+ 0 0 72 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.896 108.6 56.3 -65.4 -39.2 19.2 -25.6 18.1 69 69 A F H X S+ 0 0 43 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.947 109.2 46.7 -57.7 -49.3 17.9 -22.1 19.0 70 70 A K H X S+ 0 0 148 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.917 113.2 49.4 -56.2 -46.9 21.1 -20.6 17.4 71 71 A E H X S+ 0 0 79 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.877 110.3 50.4 -62.8 -40.0 20.7 -22.9 14.4 72 72 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.925 110.4 47.8 -67.5 -43.3 17.0 -21.9 13.9 73 73 A A H X S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.918 114.6 47.8 -63.3 -41.6 17.6 -18.2 14.1 74 74 A K H X S+ 0 0 111 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.895 110.0 52.8 -63.3 -40.6 20.5 -18.6 11.6 75 75 A R H X S+ 0 0 83 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.937 111.4 45.2 -63.4 -47.8 18.4 -20.7 9.3 76 76 A K H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.929 114.5 49.0 -62.8 -43.3 15.6 -18.1 9.2 77 77 A N H X S+ 0 0 23 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.914 108.8 52.1 -64.5 -41.0 18.0 -15.3 8.7 78 78 A D H X S+ 0 0 70 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.908 112.9 45.8 -59.7 -42.0 19.8 -17.1 5.9 79 79 A N H X S+ 0 0 66 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.939 113.8 48.4 -63.6 -49.2 16.5 -17.6 4.1 80 80 A Y H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.914 109.5 52.6 -59.0 -45.3 15.4 -14.0 4.7 81 81 A V H < S+ 0 0 39 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.881 109.8 49.1 -62.7 -38.2 18.7 -12.7 3.4 82 82 A K H >< S+ 0 0 170 -4,-1.8 3,-1.3 -5,-0.2 4,-0.3 0.941 108.2 54.9 -64.2 -43.4 18.3 -14.8 0.2 83 83 A M H 3< S+ 0 0 60 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.845 108.6 47.8 -56.2 -35.7 14.8 -13.4 -0.2 84 84 A I T >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.429 78.8 99.1 -92.5 4.0 15.9 -9.8 -0.1 85 85 A Q T < S+ 0 0 89 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.844 85.9 47.5 -60.8 -34.1 18.8 -9.9 -2.6 86 86 A D T 3 S+ 0 0 150 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.414 78.4 127.0 -91.2 3.0 16.7 -8.5 -5.4 87 87 A V < + 0 0 8 -3,-1.6 -3,-0.0 2,-0.1 -4,-0.0 -0.331 37.6 170.8 -53.7 138.7 15.2 -5.7 -3.4 88 88 A S > - 0 0 33 38,-0.1 3,-2.2 39,-0.0 4,-0.3 -0.841 52.4 -81.3-142.2 178.4 15.8 -2.5 -5.4 89 89 A P G > S+ 0 0 65 0, 0.0 3,-1.5 0, 0.0 37,-0.1 0.802 122.3 68.8 -57.6 -24.6 14.9 1.2 -5.5 90 90 A A G 3 S+ 0 0 90 1,-0.3 36,-0.1 0, 0.0 -3,-0.1 0.688 92.6 60.6 -67.0 -16.6 11.6 0.2 -7.2 91 91 A D G < S+ 0 0 71 -3,-2.2 -76,-0.5 2,-0.1 -1,-0.3 0.466 72.6 117.9 -91.4 -4.4 10.6 -1.5 -3.9 92 92 A V S < S- 0 0 26 -3,-1.5 -78,-0.2 -4,-0.3 3,-0.1 -0.461 74.5-108.9 -61.5 134.4 10.6 1.7 -1.9 93 93 A Y >> - 0 0 64 -80,-2.8 3,-1.6 1,-0.1 4,-0.6 -0.227 44.4 -80.8 -64.3 151.8 7.1 2.3 -0.6 94 94 A P T 34 S+ 0 0 79 0, 0.0 113,-0.2 0, 0.0 -1,-0.1 -0.226 112.6 11.4 -54.9 138.2 5.1 5.2 -2.1 95 95 A G T 3> S+ 0 0 28 -3,-0.1 4,-2.0 110,-0.1 5,-0.2 0.120 99.4 100.3 86.6 -20.9 5.9 8.6 -0.7 96 96 A I H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 5,-0.2 0.932 80.4 46.3 -70.8 -47.0 9.0 7.6 1.2 97 97 A L H X S+ 0 0 64 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.938 115.4 47.6 -60.2 -44.4 11.7 8.8 -1.2 98 98 A Q H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.844 110.0 53.5 -66.6 -34.0 9.9 12.2 -1.6 99 99 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.922 108.0 49.8 -62.5 -48.3 9.6 12.5 2.1 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.932 112.9 47.3 -57.0 -45.6 13.3 11.9 2.6 101 101 A K H X S+ 0 0 84 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 113.6 47.2 -61.2 -44.4 14.1 14.6 0.0 102 102 A D H X S+ 0 0 57 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.906 110.6 52.1 -68.9 -37.7 11.6 17.0 1.6 103 103 A L H <>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 3,-0.4 0.945 110.7 47.7 -62.3 -46.5 12.9 16.4 5.1 104 104 A R H ><5S+ 0 0 103 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.906 108.2 54.6 -62.3 -40.5 16.5 17.1 3.9 105 105 A S H 3<5S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.9 46.9 -62.1 -29.2 15.5 20.3 2.1 106 106 A N T 3<5S- 0 0 83 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.210 116.5-114.2 -97.7 12.9 13.9 21.5 5.4 107 107 A K T < 5 + 0 0 194 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.782 64.2 150.2 58.9 34.1 17.0 20.6 7.4 108 108 A I < - 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0 0 22 -4,-2.8 3,-0.2 -5,-0.3 -1,-0.2 -0.182 13.2-106.5 107.5 160.0 -4.8 1.0 18.1 196 196 A D S S+ 0 0 155 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 0.148 101.0 79.2-105.2 16.5 -7.2 4.0 18.0 197 197 A D S S+ 0 0 94 -3,-0.2 2,-0.3 -6,-0.1 -1,-0.1 0.312 89.5 47.3-111.9 1.4 -5.1 6.2 20.4 198 198 A I S S- 0 0 30 -3,-0.2 2,-0.3 -14,-0.0 -12,-0.1 -0.899 98.5 -84.7-128.4 169.8 -2.4 7.5 18.0 199 199 A V E -e 186 0A 57 -14,-0.6 -12,-2.6 -2,-0.3 2,-0.4 -0.612 51.8-175.8 -72.0 130.6 -2.5 9.0 14.6 200 200 A I E -e 187 0A 38 -2,-0.3 -12,-0.2 -14,-0.2 -10,-0.0 -0.995 13.2-160.4-132.2 137.4 -2.6 6.2 12.0 201 201 A V E -e 188 0A 4 -14,-2.8 -12,-2.3 -2,-0.4 3,-0.1 -0.869 21.5-131.9-114.2 152.2 -2.5 6.4 8.2 202 202 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -14,-0.1 0.736 84.6 2.1 -77.1 -23.4 -3.6 3.6 5.9 203 203 A D S > S- 0 0 66 -15,-0.0 3,-1.6 -14,-0.0 4,-0.1 -0.966 78.4 -99.9-157.7 164.4 -0.5 3.6 3.6 204 204 A T G > S+ 0 0 6 -2,-0.3 3,-2.0 1,-0.3 -192,-0.0 0.632 106.1 79.6 -72.2 -13.7 2.8 5.4 3.3 205 205 A S G 3 S+ 0 0 56 1,-0.3 -1,-0.3 -110,-0.1 -110,-0.1 0.793 87.6 63.9 -61.1 -20.8 1.7 7.8 0.6 206 206 A H G < S+ 0 0 81 -3,-1.6 2,-1.8 1,-0.1 -1,-0.3 0.598 77.5 93.8 -75.5 -15.2 0.1 9.7 3.6 207 207 A Y < + 0 0 0 -3,-2.0 2,-0.3 -113,-0.2 -108,-0.1 -0.594 55.0 144.6 -81.9 77.7 3.6 10.3 5.0 208 208 A T > - 0 0 57 -2,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.836 62.8-120.4-106.1 155.2 4.2 13.7 3.5 209 209 A L H > S+ 0 0 11 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.915 117.0 58.8 -58.4 -39.1 6.1 16.5 5.1 210 210 A E H > S+ 0 0 142 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 109.3 43.0 -55.8 -47.4 2.9 18.5 4.8 211 211 A F H > S+ 0 0 36 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.899 109.8 54.2 -69.9 -42.6 1.0 15.8 6.9 212 212 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.914 113.4 45.2 -56.0 -41.6 3.8 15.4 9.5 213 213 A K H X S+ 0 0 81 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.895 110.0 53.8 -62.4 -47.2 3.5 19.2 9.9 214 214 A E H X S+ 0 0 126 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.919 114.8 42.7 -52.6 -45.4 -0.4 19.0 10.0 215 215 A V H < S+ 0 0 17 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.926 112.1 50.9 -70.0 -46.3 0.0 16.4 12.8 216 216 A W H < S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.0 47.2 -59.7 -41.9 2.7 18.2 14.8 217 217 A L H < 0 0 148 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 360.0 360.0 -67.0 -35.6 0.7 21.4 14.8 218 218 A Q < 0 0 187 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.606 360.0 360.0 95.1 360.0 -2.2 19.2 15.8