==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-JUL-12 4G9B . COMPND 2 MOLECULE: BETA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 1 0 0 3 2 0 0 1 0 0 0 0 0 1 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 . 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 0 A V 0 0 112 0, 0.0 221,-0.2 0, 0.0 217,-0.1 0.000 360.0 360.0 360.0 122.8 16.0 36.5 21.2 2 1 A M - 0 0 85 219,-1.0 2,-0.3 215,-0.1 219,-0.1 -0.327 360.0-108.2 -56.2 139.6 14.8 34.1 23.9 3 2 A K - 0 0 169 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.600 22.7-123.3 -79.6 134.5 14.8 30.6 22.6 4 3 A L + 0 0 12 -2,-0.3 164,-0.2 1,-0.2 108,-0.1 -0.647 35.5 172.2 -71.9 119.4 11.4 28.9 21.9 5 4 A Q + 0 0 84 162,-2.9 107,-1.1 -2,-0.5 2,-0.3 0.676 54.8 13.6-107.0 -21.7 11.4 25.7 24.0 6 5 A G E -ab 112 168A 0 161,-1.4 163,-2.0 105,-0.2 2,-0.5 -0.998 45.2-154.9-155.6 149.9 7.9 24.4 23.7 7 6 A V E -ab 113 169A 0 105,-1.9 107,-2.6 -2,-0.3 2,-0.5 -1.000 24.7-161.3-122.3 124.9 4.6 24.6 21.9 8 7 A I E -ab 114 170A 0 161,-3.1 163,-2.2 -2,-0.5 2,-0.4 -0.935 4.1-154.4-116.9 128.0 1.7 23.5 24.0 9 8 A F E -ab 115 171A 0 105,-2.6 107,-2.7 -2,-0.5 163,-0.1 -0.837 13.6-140.7-108.5 133.2 -1.7 22.4 22.5 10 9 A D - 0 0 14 161,-2.1 5,-0.2 -2,-0.4 107,-0.2 -0.438 23.1-144.8 -64.0 157.9 -5.2 22.3 23.8 11 10 A L S >>>S+ 0 0 4 105,-0.2 4,-2.5 3,-0.2 3,-1.9 0.883 72.5 62.5 -94.8 -69.4 -6.9 19.2 22.5 12 11 A D B 345S+f 16 0B 61 1,-0.3 161,-0.3 2,-0.2 5,-0.2 -0.380 118.6 8.3 -67.0 129.6 -10.6 19.8 21.8 13 12 A G T 345S+ 0 0 8 3,-2.2 -1,-0.3 -2,-0.1 4,-0.2 0.399 133.4 52.2 83.3 -2.8 -11.2 22.4 19.0 14 13 A V T <45S+ 0 0 0 -3,-1.9 -2,-0.2 2,-0.6 -3,-0.2 0.619 121.4 18.8-124.8 -56.7 -7.5 22.5 18.2 15 14 A I T <5S- 0 0 0 -4,-2.5 81,-2.9 1,-0.3 2,-0.3 0.901 136.4 -20.1 -82.3 -48.4 -6.2 19.0 17.6 16 15 A T B < -fG 12 95B 2 -5,-1.5 -3,-2.2 79,-0.2 -2,-0.6 -0.956 65.1-109.7-154.8 166.4 -9.6 17.4 17.0 17 16 A D + 0 0 73 77,-0.5 4,-0.2 -2,-0.3 3,-0.1 -0.927 29.2 170.0-110.7 120.5 -13.4 18.1 17.7 18 17 A T > + 0 0 14 -2,-0.5 4,-2.0 1,-0.1 3,-0.2 0.449 54.0 96.2-104.6 -3.5 -15.2 15.9 20.2 19 18 A A H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.886 84.0 49.3 -57.0 -46.1 -18.4 17.9 20.5 20 19 A H H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.862 110.1 52.5 -62.4 -37.2 -20.4 15.8 18.1 21 20 A L H > S+ 0 0 15 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 107.0 51.9 -68.2 -37.7 -19.3 12.6 19.8 22 21 A H H X S+ 0 0 69 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.937 112.9 45.7 -61.0 -46.8 -20.4 13.9 23.2 23 22 A F H X S+ 0 0 26 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.911 109.8 53.6 -62.5 -44.6 -23.9 14.6 21.7 24 23 A Q H X S+ 0 0 89 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.847 108.7 50.1 -61.4 -33.7 -24.1 11.3 19.9 25 24 A A H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.921 112.0 46.8 -69.4 -44.4 -23.4 9.5 23.2 26 25 A W H X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.894 111.5 52.5 -62.1 -41.3 -26.1 11.5 25.0 27 26 A Q H X S+ 0 0 79 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.872 110.1 48.2 -64.1 -36.8 -28.5 10.8 22.1 28 27 A Q H X S+ 0 0 85 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.933 111.8 47.5 -69.7 -46.3 -27.9 7.1 22.3 29 28 A I H X S+ 0 0 3 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.908 112.6 51.3 -62.4 -38.1 -28.4 6.9 26.1 30 29 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.3 0.944 109.1 50.0 -60.9 -47.9 -31.6 8.9 25.7 31 30 A A H ><5S+ 0 0 65 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.853 103.1 60.9 -60.3 -34.6 -32.8 6.6 23.0 32 31 A E H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.677 108.7 43.4 -70.5 -16.0 -32.1 3.6 25.2 33 32 A I T <<5S- 0 0 25 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.104 127.1 -97.9-111.6 21.0 -34.6 5.0 27.7 34 33 A G T < 5S+ 0 0 61 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.762 81.9 127.9 78.4 27.5 -37.2 5.9 25.1 35 34 A I < - 0 0 7 -5,-2.5 2,-0.6 -6,-0.1 -1,-0.2 -0.968 46.2-149.1-121.5 128.0 -36.4 9.6 24.7 36 35 A S + 0 0 105 -2,-0.5 2,-0.3 24,-0.1 -8,-0.1 -0.841 21.8 170.5 -97.7 118.7 -35.7 11.3 21.4 37 36 A I - 0 0 5 -2,-0.6 2,-0.2 -10,-0.2 -6,-0.1 -0.939 11.4-161.9-121.2 152.1 -33.3 14.3 21.4 38 37 A D >> - 0 0 71 -2,-0.3 4,-1.4 1,-0.0 3,-0.6 -0.700 40.6 -91.5-123.5 177.2 -31.8 16.1 18.4 39 38 A A T 34 S+ 0 0 68 1,-0.3 4,-0.4 -2,-0.2 -1,-0.0 0.812 125.8 58.7 -59.0 -31.4 -28.9 18.4 17.6 40 39 A Q T >4 S+ 0 0 138 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.871 104.6 49.2 -64.9 -38.9 -31.2 21.3 18.3 41 40 A F G X4 S+ 0 0 24 -3,-0.6 3,-2.1 1,-0.2 4,-0.3 0.815 95.9 75.0 -67.0 -29.0 -31.8 20.0 21.8 42 41 A N G >X S+ 0 0 17 -4,-1.4 3,-1.2 1,-0.3 4,-0.5 0.661 78.6 71.2 -64.0 -16.7 -28.1 19.7 22.2 43 42 A E G X4 S+ 0 0 138 -3,-0.9 3,-0.7 -4,-0.4 -1,-0.3 0.828 92.7 59.3 -63.1 -31.7 -27.8 23.5 22.6 44 43 A S G <4 S+ 0 0 53 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.564 105.7 48.0 -72.5 -10.5 -29.5 22.9 26.0 45 44 A L G X4 S+ 0 0 13 -3,-1.2 3,-1.4 -4,-0.3 2,-0.4 0.461 83.3 116.9-105.7 -6.9 -26.5 20.6 27.0 46 45 A K T << S- 0 0 125 -3,-0.7 3,-0.1 -4,-0.5 -3,-0.0 -0.493 90.7 -0.8 -68.3 119.2 -23.9 23.1 25.9 47 46 A G T 3 S+ 0 0 88 -2,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.819 103.8 132.7 72.4 32.8 -21.7 24.1 28.8 48 47 A I < - 0 0 51 -3,-1.4 -1,-0.3 1,-0.1 -3,-0.0 -0.894 59.9-106.2-119.6 144.1 -23.7 22.0 31.3 49 48 A S > - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.179 33.7-111.1 -59.8 159.4 -22.6 19.6 34.0 50 49 A R H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 116.9 47.8 -60.0 -44.5 -22.9 15.9 33.4 51 50 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 114.3 45.1 -67.4 -41.3 -25.7 15.5 36.1 52 51 A E H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.831 109.0 57.6 -72.5 -31.2 -27.7 18.4 34.8 53 52 A S H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.947 110.0 43.8 -60.9 -49.5 -27.3 17.3 31.2 54 53 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.914 112.1 53.4 -61.8 -42.0 -28.9 14.0 32.1 55 54 A R H X S+ 0 0 65 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.905 107.1 51.5 -62.5 -39.2 -31.6 15.7 34.1 56 55 A R H X S+ 0 0 81 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.866 109.5 50.0 -65.1 -36.2 -32.5 17.9 31.2 57 56 A I H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.923 111.7 48.2 -64.5 -45.3 -32.8 14.8 29.0 58 57 A L H <>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 6,-0.4 0.920 111.3 50.0 -61.0 -44.9 -35.0 13.1 31.5 59 58 A Q H ><5S+ 0 0 106 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.900 105.3 58.4 -59.3 -40.8 -37.2 16.3 31.8 60 59 A H H 3<5S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.845 114.3 36.6 -58.9 -36.0 -37.5 16.4 28.0 61 60 A G T 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.307 113.8-114.2 -99.1 7.8 -39.0 12.9 28.1 62 61 A G T < 5S+ 0 0 65 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.1 0.862 82.4 119.5 63.2 38.7 -41.0 13.4 31.3 63 62 A K > < + 0 0 60 -5,-3.2 3,-1.5 -8,-0.1 4,-0.3 0.182 21.8 111.0-124.6 18.5 -38.9 10.8 33.1 64 63 A E G > S+ 0 0 72 -6,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.871 81.2 55.8 -57.6 -36.3 -37.3 12.6 36.0 65 64 A G G 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.559 96.9 65.4 -75.2 -7.2 -39.5 10.6 38.4 66 65 A D G < S+ 0 0 102 -3,-1.5 2,-0.4 1,-0.1 -1,-0.2 0.511 98.6 53.0 -95.3 -4.8 -38.3 7.3 37.0 67 66 A F < - 0 0 44 -3,-1.1 -1,-0.1 -4,-0.3 2,-0.1 -0.977 63.6-157.9-138.4 122.7 -34.7 7.4 38.0 68 67 A N > - 0 0 80 -2,-0.4 4,-2.6 -3,-0.1 5,-0.2 -0.261 46.7 -87.5 -84.0-178.5 -33.1 8.1 41.5 69 68 A S H > S+ 0 0 105 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.847 128.4 49.0 -63.5 -32.3 -29.5 9.4 41.9 70 69 A Q H > S+ 0 0 154 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.887 113.2 46.0 -73.5 -39.1 -28.0 5.9 41.9 71 70 A E H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.852 111.3 52.4 -70.9 -36.9 -29.9 4.9 38.7 72 71 A R H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.884 105.4 56.6 -62.5 -37.2 -29.0 8.2 37.1 73 72 A A H X S+ 0 0 56 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.859 105.4 50.9 -62.1 -35.8 -25.4 7.3 38.0 74 73 A Q H X S+ 0 0 147 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.889 109.9 49.1 -70.6 -37.7 -25.8 4.0 36.0 75 74 A L H X S+ 0 0 23 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.907 111.4 50.0 -63.5 -41.8 -27.1 5.9 33.0 76 75 A A H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.880 107.6 54.2 -65.6 -38.1 -24.2 8.3 33.2 77 76 A Y H X S+ 0 0 150 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.932 111.2 44.9 -60.3 -46.9 -21.7 5.4 33.4 78 77 A R H X S+ 0 0 94 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.909 111.2 53.0 -65.6 -41.2 -23.1 3.9 30.2 79 78 A K H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.934 111.9 45.7 -58.7 -45.4 -23.2 7.2 28.4 80 79 A N H X S+ 0 0 48 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.893 110.9 53.5 -66.1 -36.8 -19.5 7.8 29.3 81 80 A L H X S+ 0 0 77 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.914 110.7 45.6 -63.4 -44.4 -18.6 4.2 28.3 82 81 A L H X S+ 0 0 30 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.892 112.9 52.0 -64.1 -41.0 -20.2 4.7 24.9 83 82 A Y H X S+ 0 0 7 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.937 109.7 47.7 -61.1 -48.5 -18.5 8.1 24.5 84 83 A V H X S+ 0 0 25 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.887 108.7 54.6 -63.8 -38.5 -15.1 6.7 25.3 85 84 A H H X S+ 0 0 84 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.942 106.1 52.6 -58.6 -44.4 -15.6 3.8 22.9 86 85 A S H < S+ 0 0 23 -4,-2.1 4,-0.3 1,-0.2 3,-0.2 0.837 105.6 54.7 -62.0 -32.0 -16.3 6.4 20.1 87 86 A L H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.891 104.6 53.2 -65.8 -39.0 -13.0 8.1 21.0 88 87 A R H 3< S+ 0 0 141 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.740 105.0 57.4 -68.0 -19.7 -11.1 4.9 20.5 89 88 A E T 3< S+ 0 0 124 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.488 78.9 117.9 -89.7 -5.2 -12.8 4.6 17.1 90 89 A L < - 0 0 22 -3,-1.3 2,-0.2 -4,-0.3 -3,-0.0 -0.286 51.2-153.0 -58.0 146.6 -11.4 8.0 15.9 91 90 A T > - 0 0 72 38,-0.1 3,-2.1 39,-0.0 4,-0.2 -0.658 34.3 -91.7-115.9 175.9 -9.1 7.8 12.8 92 91 A V G > S+ 0 0 41 1,-0.3 3,-1.2 -2,-0.2 37,-0.1 0.745 120.3 69.7 -57.7 -23.9 -6.3 9.9 11.5 93 92 A N G 3 S+ 0 0 144 1,-0.2 -1,-0.3 0, 0.0 36,-0.1 0.566 83.7 69.6 -73.9 -8.2 -8.9 11.8 9.5 94 93 A A G < S+ 0 0 27 -3,-2.1 -77,-0.5 2,-0.1 -1,-0.2 0.543 72.7 107.6 -86.4 -8.3 -10.4 13.4 12.6 95 94 A V B < S-G 16 0B 16 -3,-1.2 -79,-0.2 -4,-0.2 3,-0.1 -0.535 81.1-108.2 -69.5 135.5 -7.3 15.6 13.1 96 95 A L > - 0 0 31 -81,-2.9 3,-1.7 -2,-0.2 4,-0.5 -0.268 45.9 -82.6 -66.8 151.2 -8.0 19.2 12.2 97 96 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.251 112.7 14.5 -58.3 137.3 -6.5 20.6 9.0 98 97 A G T 3> S+ 0 0 31 -3,-0.1 4,-2.0 108,-0.1 5,-0.2 0.109 98.5 101.5 90.9 -21.0 -2.9 21.8 9.3 99 98 A I H <> S+ 0 0 0 -3,-1.7 4,-2.6 2,-0.2 5,-0.2 0.928 79.2 44.7 -70.3 -48.3 -2.2 20.1 12.6 100 99 A R H > S+ 0 0 86 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.910 114.7 50.5 -64.3 -40.5 -0.3 17.0 11.6 101 100 A S H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.8 48.1 -58.8 -45.3 1.9 19.1 9.2 102 101 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.909 110.8 50.1 -63.5 -43.8 2.6 21.6 12.0 103 102 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.918 110.5 50.4 -63.8 -41.1 3.5 18.8 14.5 104 103 A A H X S+ 0 0 45 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.900 111.8 48.4 -61.5 -41.8 5.9 17.3 11.9 105 104 A D H X S+ 0 0 73 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.884 108.7 52.4 -66.7 -40.1 7.5 20.6 11.4 106 105 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.2 0.928 111.1 47.7 -62.6 -42.6 7.9 21.3 15.1 107 106 A R H ><5S+ 0 0 98 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.882 107.7 54.8 -68.2 -34.9 9.6 18.0 15.5 108 107 A A H 3<5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 109.4 49.2 -63.7 -29.0 11.9 18.6 12.5 109 108 A Q T 3<5S- 0 0 99 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.331 116.1-119.4 -89.8 5.1 12.9 21.9 14.3 110 109 A Q T < 5 + 0 0 169 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.859 59.6 153.9 56.0 39.7 13.5 20.0 17.5 111 110 A I < - 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0 0 27 -3,-0.2 -1,-0.3 1,-0.1 3,-0.2 -0.679 50.6-148.0 -85.7 139.4 -4.6 36.5 22.3 199 198 A Q S S+ 0 0 94 -11,-0.9 2,-0.4 -2,-0.3 -10,-0.2 0.839 95.1 24.7 -73.2 -30.9 -1.1 37.7 21.2 200 199 A L E S-e 189 0A 20 -12,-1.6 -10,-2.7 -3,-0.0 2,-0.5 -0.984 77.6-164.8-132.6 120.9 -1.6 36.1 17.8 201 200 A L E -e 190 0A 77 -2,-0.4 -10,-0.2 -12,-0.2 -8,-0.1 -0.937 8.5-177.5-112.7 122.5 -5.2 35.5 16.6 202 201 A L E -e 191 0A 2 -12,-3.0 -10,-3.2 -2,-0.5 3,-0.1 -0.873 28.8-134.8-118.7 150.0 -5.8 33.1 13.7 203 202 A P S S- 0 0 93 0, 0.0 -10,-0.4 0, 0.0 2,-0.3 0.770 81.2 -11.2 -78.0 -24.4 -9.1 32.3 12.0 204 203 A S S > S- 0 0 39 -12,-0.1 3,-1.2 -14,-0.1 4,-0.3 -0.964 74.8 -91.2-162.5 173.0 -8.6 28.5 11.9 205 204 A T G > S+ 0 0 10 -2,-0.3 3,-1.4 1,-0.3 -191,-0.0 0.740 115.6 71.3 -68.1 -20.1 -6.1 25.7 12.4 206 205 A E G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -108,-0.1 -108,-0.1 0.810 93.4 55.8 -64.7 -27.7 -5.2 25.9 8.7 207 206 A S G < S+ 0 0 34 -3,-1.2 2,-1.4 1,-0.1 -1,-0.3 0.579 83.4 100.5 -75.8 -11.1 -3.5 29.2 9.4 208 207 A L < + 0 0 2 -3,-1.4 2,-0.3 -4,-0.3 -106,-0.2 -0.617 51.0 152.2 -85.4 89.9 -1.3 27.5 12.1 209 208 A T > - 0 0 58 -2,-1.4 4,-2.5 1,-0.1 5,-0.2 -0.812 54.6-119.5-117.1 157.0 2.0 27.0 10.3 210 209 A W H > S+ 0 0 40 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.937 114.0 52.7 -58.8 -48.2 5.6 26.7 11.6 211 210 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.891 112.4 46.6 -57.3 -36.1 6.8 29.7 9.6 212 211 A R H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.926 114.1 45.6 -70.4 -45.2 4.0 31.8 11.1 213 212 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.879 114.0 50.6 -63.1 -39.4 4.6 30.7 14.7 214 213 A S H X S+ 0 0 28 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.896 110.5 47.9 -67.1 -40.6 8.3 31.2 14.2 215 214 A A H X S+ 0 0 59 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.902 112.6 50.2 -64.6 -42.5 7.8 34.7 12.8 216 215 A F H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.925 110.8 49.5 -57.5 -48.5 5.4 35.4 15.8 217 216 A W H X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.944 109.0 50.9 -58.6 -49.3 8.0 34.2 18.2 218 217 A Q H < S+ 0 0 115 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.826 112.8 48.8 -60.6 -29.6 10.8 36.3 16.8 219 218 A N H < S+ 0 0 102 -4,-1.5 3,-0.5 -5,-0.2 -1,-0.2 0.951 117.5 35.9 -75.6 -48.7 8.6 39.3 17.0 220 219 A V H < S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.700 114.5 55.2 -80.4 -18.3 7.4 38.9 20.6 221 220 A A S < S+ 0 0 9 -4,-2.3 -219,-1.0 -5,-0.2 -1,-0.2 0.538 81.6 107.2 -94.6 -8.6 10.6 37.5 22.1 222 221 A E + 0 0 113 -3,-0.5 2,-0.3 -4,-0.4 3,-0.1 -0.463 41.6 178.2 -77.7 144.0 12.9 40.3 21.0 223 222 A N > - 0 0 73 -2,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.897 24.5-154.5-151.2 110.2 14.2 42.7 23.6 224 223 A L G > S+ 0 0 114 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.802 97.4 62.9 -49.8 -34.8 16.7 45.5 22.7 225 224 A Y G 3 S+ 0 0 198 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.383 99.0 54.3 -84.5 5.6 17.9 45.4 26.3 226 225 A F G < 0 0 175 -3,-2.1 -1,-0.3 0, 0.0 -2,-0.2 0.224 360.0 360.0-115.9 9.2 19.1 41.9 25.9 227 226 A Q < 0 0 185 -3,-1.5 -3,-0.1 -4,-0.1 -2,-0.0 0.263 360.0 360.0 -82.1 360.0 21.3 42.6 22.9