==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-FEB-03 1O08 . COMPND 2 MOLECULE: BETA-PHOSPHOGLUCOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR S.D.LAHIRI,G.ZHANG,D.DUNAWAY-MARIANO,K.N.ALLEN . 221 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 70.6 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 . 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 0.5 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 . 8 3.6 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 . 80 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 3 2 0 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 . 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 1001 A M 0 0 133 0, 0.0 212,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 9.8 8.2 49.7 14.8 2 1002 A F - 0 0 12 1,-0.1 163,-0.2 106,-0.0 3,-0.1 -0.349 360.0-160.8 -66.4 157.5 9.5 46.1 15.0 3 1003 A K + 0 0 111 161,-3.3 106,-2.3 1,-0.2 2,-0.3 0.451 63.2 31.0-121.9 -7.3 13.2 45.7 14.2 4 1004 A A E -ab 109 165A 0 160,-1.0 162,-2.0 104,-0.2 2,-0.4 -0.989 54.7-149.0-150.7 151.4 13.7 42.0 13.4 5 1005 A V E -ab 110 166A 0 104,-2.5 106,-2.2 -2,-0.3 2,-0.6 -0.997 14.9-155.2-121.9 131.8 11.8 39.0 11.9 6 1006 A L E -ab 111 167A 0 160,-2.8 162,-2.1 -2,-0.4 2,-0.5 -0.928 16.8-155.1-112.7 105.2 12.7 35.6 13.3 7 1007 A F E -ab 112 168A 0 104,-2.9 106,-3.0 -2,-0.6 2,-0.1 -0.773 13.9-152.8 -94.8 125.5 12.0 32.9 10.7 8 1008 A D - 0 0 5 160,-2.1 106,-0.2 -2,-0.5 5,-0.1 -0.470 17.4-153.0 -64.6 160.3 11.2 29.2 11.3 9 1009 A L >>> + 0 0 0 3,-0.2 4,-2.5 -2,-0.1 3,-2.4 0.840 66.8 69.4 -99.8 -68.8 12.2 27.3 8.1 10 1010 A D B 345S+f 14 0B 20 1,-0.3 160,-0.3 2,-0.2 5,-0.2 -0.396 119.3 3.6 -67.7 120.9 10.3 24.1 7.7 11 1011 A G T 345S+ 0 0 7 3,-2.5 -1,-0.3 -2,-0.3 4,-0.1 0.387 132.4 58.8 84.4 2.5 6.6 24.9 6.8 12 1012 A V T <45S+ 0 0 0 -3,-2.4 -2,-0.2 2,-0.3 -3,-0.2 0.670 114.5 24.5-121.1 -53.9 7.4 28.7 6.7 13 1013 A I T <5S- 0 0 0 -4,-2.5 80,-2.8 1,-0.3 2,-0.3 0.826 137.1 -11.0 -84.5 -33.6 10.1 29.3 4.1 14 1014 A T B > > S+ 0 0 59 76,-0.5 3,-0.8 -2,-0.3 4,-0.6 -0.088 77.9 120.4 -84.2 36.2 7.3 22.9 2.3 16 1016 A T H 3> + 0 0 0 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.622 58.7 75.2 -80.9 -9.8 9.9 20.8 4.1 17 1017 A A H <> S+ 0 0 16 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.885 94.2 55.7 -58.8 -34.7 7.6 20.1 7.0 18 1018 A E H <> S+ 0 0 46 -3,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.895 107.2 48.1 -63.9 -39.6 5.9 17.7 4.5 19 1019 A Y H X S+ 0 0 63 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.907 109.6 51.2 -72.8 -38.0 9.2 15.9 4.0 20 1020 A H H X S+ 0 0 34 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.941 111.8 49.4 -60.7 -42.5 9.9 15.7 7.7 21 1021 A F H X S+ 0 0 12 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.961 111.5 47.3 -58.8 -52.5 6.5 14.1 8.2 22 1022 A R H X S+ 0 0 131 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.916 114.8 47.0 -58.7 -41.8 7.0 11.6 5.4 23 1023 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.918 113.4 46.9 -70.5 -41.2 10.4 10.6 6.7 24 1024 A W H X S+ 0 0 7 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.907 111.9 51.4 -66.7 -38.0 9.2 10.3 10.3 25 1025 A K H X S+ 0 0 62 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.915 110.0 49.3 -63.1 -43.9 6.2 8.2 9.3 26 1026 A A H X S+ 0 0 40 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.932 112.4 48.4 -60.4 -43.3 8.4 5.9 7.3 27 1027 A L H X S+ 0 0 5 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.955 111.6 49.1 -59.9 -51.6 10.8 5.5 10.2 28 1028 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-0.8 0.945 110.8 49.5 -55.4 -49.1 7.9 4.8 12.6 29 1029 A E H ><5S+ 0 0 99 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.859 103.0 61.0 -63.2 -34.6 6.3 2.2 10.4 30 1030 A E H 3<5S+ 0 0 122 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.862 109.1 43.4 -58.7 -34.8 9.7 0.4 9.9 31 1031 A I T <<5S- 0 0 44 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.138 125.3-101.9 -97.8 18.9 9.7 -0.2 13.7 32 1032 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.670 81.0 130.9 74.6 20.6 6.0 -1.2 13.8 33 1033 A I < + 0 0 17 -5,-2.7 3,-0.3 -6,-0.2 -1,-0.2 -0.951 26.0 173.7-105.8 112.6 4.6 2.2 15.1 34 1034 A N + 0 0 116 -2,-0.6 -1,-0.1 1,-0.2 -5,-0.1 0.288 51.2 94.9-106.4 8.6 1.7 3.2 12.9 35 1035 A G + 0 0 34 21,-0.1 2,-1.8 1,-0.1 5,-0.2 0.399 49.1 105.3 -83.8 1.8 0.4 6.2 14.8 36 1036 A V + 0 0 2 -3,-0.3 2,-0.2 -11,-0.2 -1,-0.1 -0.597 45.5 143.1 -85.7 81.8 2.3 8.9 12.9 37 1037 A D > - 0 0 77 -2,-1.8 4,-2.7 1,-0.0 -2,-0.0 -0.521 69.4 -86.8-105.0 179.2 -0.5 10.3 10.8 38 1038 A R H > S+ 0 0 142 1,-0.2 4,-0.8 2,-0.2 -1,-0.0 0.923 127.7 51.7 -59.2 -39.7 -1.0 14.0 10.0 39 1039 A Q H >4 S+ 0 0 159 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.947 112.8 44.5 -61.9 -46.9 -2.9 14.8 13.2 40 1040 A F H >4 S+ 0 0 24 1,-0.3 3,-2.2 -5,-0.2 4,-0.4 0.908 104.0 66.4 -62.1 -35.4 -0.2 13.2 15.4 41 1041 A N H >X S+ 0 0 9 -4,-2.7 4,-1.5 1,-0.3 3,-1.5 0.728 82.4 74.0 -63.7 -20.4 2.4 15.0 13.3 42 1042 A E T << S+ 0 0 19 -3,-1.2 130,-0.5 -4,-0.8 131,-0.4 0.826 95.4 53.2 -63.0 -25.7 1.2 18.4 14.6 43 1043 A Q T <4 S+ 0 0 102 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.603 109.6 48.9 -78.3 -12.6 2.9 17.4 17.9 44 1044 A L T X4 S+ 0 0 6 -3,-1.5 3,-1.8 -4,-0.4 -2,-0.2 0.668 82.2 108.1 -95.6 -23.5 6.2 16.7 15.9 45 1045 A K T 3< S+ 0 0 51 -4,-1.5 128,-0.6 1,-0.3 129,-0.2 -0.328 92.8 7.6 -61.2 135.8 6.3 20.0 14.0 46 1046 A G T 3 S+ 0 0 21 1,-0.3 99,-0.3 127,-0.1 -1,-0.3 0.312 100.4 125.0 81.3 -10.9 9.1 22.3 15.3 47 1047 A V < - 0 0 15 -3,-1.8 -1,-0.3 1,-0.1 5,-0.1 -0.591 65.8-101.8 -88.8 144.0 10.5 19.6 17.6 48 1048 A S > - 0 0 11 97,-0.5 4,-2.6 -2,-0.2 5,-0.2 -0.012 33.3-103.2 -61.9 168.7 14.1 18.5 17.5 49 1049 A R H > S+ 0 0 60 66,-0.3 4,-2.5 1,-0.2 5,-0.2 0.941 121.5 39.9 -55.3 -53.3 15.3 15.3 15.8 50 1050 A E H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 115.8 51.1 -69.4 -36.2 15.8 13.4 19.1 51 1051 A D H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 109.8 51.4 -70.8 -35.1 12.7 14.8 20.7 52 1052 A S H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.949 109.9 48.8 -60.4 -50.9 10.7 13.8 17.6 53 1053 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.918 111.7 49.2 -57.8 -42.0 12.0 10.2 17.8 54 1054 A Q H X S+ 0 0 81 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.896 106.5 54.9 -70.2 -34.1 11.2 10.0 21.5 55 1055 A K H < S+ 0 0 79 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.891 112.4 45.2 -60.8 -37.7 7.6 11.3 21.0 56 1056 A I H >< S+ 0 0 1 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.941 111.8 50.9 -70.3 -44.2 7.2 8.5 18.4 57 1057 A L H >< S+ 0 0 16 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.802 96.2 70.4 -66.5 -24.4 8.8 5.9 20.7 58 1058 A D T 3< S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.705 87.7 66.8 -61.6 -18.7 6.4 7.0 23.5 59 1059 A L T < S+ 0 0 79 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.3 0.626 93.2 74.5 -74.9 -14.5 3.7 5.3 21.4 60 1060 A A S < S- 0 0 40 -3,-2.2 -27,-0.0 -4,-0.2 -28,-0.0 -0.735 74.1-141.3-103.9 152.6 5.3 1.9 22.1 61 1061 A D S S+ 0 0 175 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.809 84.2 58.1 -78.8 -31.8 5.2 -0.1 25.3 62 1062 A K S S- 0 0 180 1,-0.0 2,-0.3 -5,-0.0 -2,-0.1 -0.623 82.2-120.4 -98.8 155.0 8.7 -1.3 25.2 63 1063 A K - 0 0 193 -2,-0.2 2,-0.2 -5,-0.0 -2,-0.1 -0.659 15.6-134.7 -94.4 150.4 12.0 0.7 25.0 64 1064 A V - 0 0 43 -2,-0.3 2,-0.0 1,-0.1 -7,-0.0 -0.671 35.5 -98.9 -88.2 159.3 14.6 0.5 22.2 65 1065 A S > - 0 0 62 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.290 30.0-110.3 -73.1 160.8 18.3 0.3 23.2 66 1066 A A H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 121.3 54.2 -58.4 -38.6 20.4 3.5 23.2 67 1067 A E H > S+ 0 0 166 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 110.3 44.9 -60.9 -45.8 22.3 2.0 20.2 68 1068 A E H > S+ 0 0 73 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.923 108.7 57.6 -67.0 -39.9 19.0 1.6 18.3 69 1069 A F H X S+ 0 0 49 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.942 109.7 44.4 -53.1 -51.5 17.8 5.1 19.3 70 1070 A K H X S+ 0 0 146 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 113.2 50.8 -59.6 -42.6 20.9 6.6 17.7 71 1071 A E H X S+ 0 0 78 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.907 108.8 51.7 -61.9 -42.9 20.6 4.5 14.6 72 1072 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.888 109.0 49.0 -64.3 -42.9 17.0 5.4 14.1 73 1073 A A H X S+ 0 0 10 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.927 114.3 46.2 -63.3 -42.2 17.6 9.1 14.3 74 1074 A K H X S+ 0 0 126 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.883 110.1 54.5 -65.7 -37.6 20.4 8.8 11.8 75 1075 A R H X S+ 0 0 79 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.941 110.4 45.6 -61.4 -50.2 18.3 6.6 9.5 76 1076 A K H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.926 113.3 49.8 -58.3 -46.3 15.6 9.2 9.4 77 1077 A N H X S+ 0 0 25 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.921 108.3 52.0 -64.7 -41.5 18.0 12.0 8.8 78 1078 A D H X S+ 0 0 83 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.900 112.9 46.2 -61.9 -36.3 19.8 10.2 6.0 79 1079 A N H X S+ 0 0 65 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.948 113.6 48.1 -67.9 -49.7 16.4 9.6 4.3 80 1080 A Y H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.916 108.4 54.1 -56.7 -44.8 15.3 13.2 4.8 81 1081 A V H < S+ 0 0 39 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.917 109.3 48.8 -61.7 -37.8 18.6 14.6 3.5 82 1082 A K H >< S+ 0 0 167 -4,-1.6 3,-1.4 -5,-0.2 4,-0.3 0.937 107.8 55.8 -64.0 -41.9 18.1 12.5 0.3 83 1083 A M H 3< S+ 0 0 58 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.807 108.7 47.2 -60.7 -33.0 14.6 13.8 -0.0 84 1084 A I T >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 -1,-0.3 0.389 79.5 98.8 -94.4 5.8 15.7 17.5 0.0 85 1085 A Q T < S+ 0 0 90 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.840 86.0 46.6 -64.4 -30.5 18.6 17.3 -2.5 86 1086 A D T 3 S+ 0 0 152 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.372 77.9 130.0 -94.0 5.4 16.5 18.7 -5.4 87 1087 A V < + 0 0 3 -3,-1.5 -3,-0.0 3,-0.1 5,-0.0 -0.319 36.8 174.3 -54.4 140.2 15.0 21.6 -3.4 88 1088 A S > - 0 0 34 38,-0.1 3,-2.3 1,-0.0 4,-0.3 -0.848 49.2 -85.8-141.1 174.9 15.4 24.7 -5.5 89 1089 A P G > S+ 0 0 63 0, 0.0 3,-1.8 0, 0.0 37,-0.1 0.853 122.2 66.5 -54.8 -29.7 14.5 28.5 -5.6 90 1090 A A G 3 S+ 0 0 90 1,-0.3 36,-0.1 0, 0.0 -3,-0.1 0.735 93.8 60.9 -66.3 -17.2 11.3 27.5 -7.3 91 1091 A D G < S+ 0 0 56 -3,-2.3 -76,-0.5 2,-0.1 -1,-0.3 0.442 71.9 118.4 -88.0 -2.8 10.3 25.7 -4.0 92 1092 A V B < S-G 14 0B 25 -3,-1.8 -78,-0.2 -4,-0.3 3,-0.1 -0.428 75.2-108.6 -61.2 136.1 10.4 28.9 -1.9 93 1093 A Y >> - 0 0 72 -80,-2.8 3,-1.7 1,-0.1 4,-0.6 -0.243 44.8 -80.6 -61.2 152.5 6.8 29.4 -0.6 94 1094 A P T 34 S+ 0 0 80 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.239 113.2 13.2 -55.1 139.4 4.8 32.3 -2.0 95 1095 A G T 3> S+ 0 0 26 -3,-0.1 4,-2.2 110,-0.1 5,-0.1 0.084 99.3 99.4 87.8 -25.2 5.5 35.7 -0.5 96 1096 A I H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 5,-0.2 0.917 80.2 46.3 -71.2 -46.5 8.8 34.7 1.2 97 1097 A L H X S+ 0 0 63 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.939 115.8 46.9 -60.0 -44.5 11.4 35.9 -1.3 98 1098 A Q H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 109.7 54.2 -67.6 -36.3 9.6 39.3 -1.6 99 1099 A L H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.932 107.7 50.2 -61.2 -42.4 9.3 39.6 2.2 100 1100 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.936 112.3 47.4 -59.9 -44.0 13.0 39.1 2.6 101 1101 A K H X S+ 0 0 103 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.933 113.5 47.8 -62.7 -43.8 13.7 41.7 -0.0 102 1102 A D H X S+ 0 0 46 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.902 109.8 52.3 -68.7 -39.3 11.2 44.2 1.6 103 1103 A L H <>S+ 0 0 0 -4,-3.1 5,-2.8 1,-0.2 -1,-0.2 0.941 110.8 48.1 -61.9 -43.4 12.6 43.6 5.1 104 1104 A R H ><5S+ 0 0 105 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.920 109.3 52.3 -64.0 -40.2 16.2 44.4 3.8 105 1105 A S H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.873 112.5 46.5 -60.6 -36.6 15.0 47.5 2.0 106 1106 A N T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.265 115.4-115.9 -91.6 13.2 13.4 48.7 5.3 107 1107 A K T < 5 + 0 0 188 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.829 63.2 150.0 55.5 36.3 16.5 47.8 7.4 108 1108 A I < - 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0 0 24 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.240 10.2-109.9 112.1 159.2 -5.0 28.3 18.1 196 1196 A D S S+ 0 0 159 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 0.177 100.0 76.9-106.6 8.1 -7.5 31.2 18.1 197 1197 A D S S+ 0 0 93 -3,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.582 93.0 41.0-103.2 -10.2 -5.4 33.4 20.4 198 1198 A I S S- 0 0 31 -4,-0.1 2,-0.4 -3,-0.1 -12,-0.1 -0.798 100.2 -79.6-123.4 170.9 -2.7 34.7 18.1 199 1199 A V E -e 186 0A 36 -14,-0.6 -12,-2.4 -2,-0.3 2,-0.4 -0.620 49.6-175.3 -73.6 126.2 -2.8 35.9 14.5 200 1200 A I E -e 187 0A 38 -2,-0.4 -12,-0.2 -14,-0.2 -14,-0.0 -0.991 9.6-161.6-122.5 133.5 -2.9 33.0 12.1 201 1201 A V E -e 188 0A 4 -14,-2.8 -12,-2.3 -2,-0.4 3,-0.1 -0.831 21.0-132.4-109.7 149.0 -2.7 33.3 8.3 202 1202 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -14,-0.1 0.744 83.9 1.3 -76.7 -24.2 -3.8 30.5 6.0 203 1203 A D S > S- 0 0 67 -15,-0.0 3,-1.6 -110,-0.0 4,-0.1 -0.963 79.6 -99.2-156.3 167.1 -0.7 30.5 3.7 204 1204 A T G > S+ 0 0 5 -2,-0.3 3,-2.0 1,-0.3 -192,-0.0 0.642 104.9 82.0 -75.8 -8.7 2.5 32.4 3.4 205 1205 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -110,-0.1 -110,-0.1 0.815 87.0 63.1 -60.0 -26.0 1.3 34.8 0.6 206 1206 A H G < S+ 0 0 79 -3,-1.6 2,-1.9 1,-0.2 -1,-0.3 0.600 76.8 94.7 -70.8 -15.9 -0.1 36.7 3.6 207 1207 A Y < + 0 0 0 -3,-2.0 2,-0.3 -113,-0.3 -108,-0.2 -0.572 54.4 144.6 -81.8 78.4 3.3 37.3 5.0 208 1208 A T > - 0 0 45 -2,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.852 62.4-121.7-106.2 150.0 3.9 40.7 3.5 209 1209 A L H > S+ 0 0 7 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.911 116.8 58.7 -56.5 -35.8 5.8 43.5 5.2 210 1210 A E H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 108.9 43.1 -56.6 -48.3 2.5 45.5 4.8 211 1211 A F H > S+ 0 0 38 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.899 109.4 55.5 -69.3 -40.9 0.6 42.8 6.9 212 1212 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.938 111.6 45.9 -57.6 -40.8 3.4 42.4 9.5 213 1213 A K H X S+ 0 0 98 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.920 110.2 53.8 -64.4 -44.6 3.1 46.2 10.0 214 1214 A E H X S+ 0 0 109 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.930 114.3 41.4 -54.8 -45.6 -0.8 46.0 10.1 215 1215 A V H >< S+ 0 0 2 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.936 112.2 54.0 -72.2 -43.7 -0.6 43.3 12.8 216 1216 A W H 3< S+ 0 0 17 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.909 105.4 54.8 -57.0 -45.3 2.2 45.0 14.8 217 1217 A L H 3< S+ 0 0 147 -4,-2.4 -1,-0.3 -5,-0.2 2,-0.2 0.747 98.7 66.5 -64.0 -27.9 0.2 48.3 15.0 218 1218 A Q S << S- 0 0 88 -4,-1.0 0, 0.0 -3,-0.6 0, 0.0 -0.669 132.8 -50.0 -89.0 154.6 -2.8 46.5 16.5 219 1219 A K S S+ 0 0 187 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.102 93.1 142.5 -24.5 152.0 -1.8 45.4 20.0 220 1220 A Q 0 0 34 -3,-0.1 -2,-0.1 -54,-0.0 -1,-0.1 0.747 360.0 360.0 125.7 93.9 1.4 43.6 19.0 221 1221 A K 0 0 107 -39,-0.1 -37,-0.1 -4,-0.1 -38,-0.0 0.843 360.0 360.0-101.4 360.0 3.6 43.9 20.9