==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 31-JAN-03 1OBV . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR A.ROMERO,A.RAMON,C.FERNANDEZ-CABRERA,M.P.IRUN,J.SANCHO . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 5.3 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 A 0 0 102 0, 0.0 29,-0.0 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -42.7 27.1 25.8 25.7 2 1002 A K + 0 0 170 30,-0.0 28,-0.2 3,-0.0 29,-0.1 -0.362 360.0 115.0-173.8 82.4 23.8 24.3 26.9 3 1003 A K + 0 0 116 27,-1.2 46,-0.8 26,-0.3 2,-0.6 0.711 60.1 60.9-123.7 -41.9 20.6 26.1 26.0 4 1004 A I E -ab 31 49A 0 26,-2.2 28,-1.9 44,-0.1 2,-0.7 -0.839 57.1-163.4-103.7 120.2 18.3 24.1 23.6 5 1005 A G E -ab 32 50A 0 44,-2.6 46,-2.2 -2,-0.6 2,-0.8 -0.860 4.5-162.4-100.7 115.5 17.0 20.7 24.6 6 1006 A L E -ab 33 51A 0 26,-2.5 28,-2.3 -2,-0.7 2,-0.6 -0.851 6.3-172.4-100.5 109.1 15.7 18.7 21.7 7 1007 A F E +ab 34 52A 0 44,-1.8 46,-2.4 -2,-0.8 2,-0.3 -0.896 15.0 171.9-103.3 116.9 13.4 15.8 22.9 8 1008 A Y E -ab 35 53A 18 26,-2.5 28,-2.9 -2,-0.6 29,-0.4 -0.835 23.4-160.6-125.4 161.6 12.4 13.5 20.1 9 1009 A G + 0 0 0 44,-1.2 2,-0.3 -2,-0.3 54,-0.1 -0.971 17.5 178.8-135.1 145.9 10.7 10.2 19.6 10 1010 A T - 0 0 19 -2,-0.3 55,-0.1 44,-0.1 27,-0.0 -0.997 26.1-170.4-152.5 148.9 11.0 8.0 16.6 11 1011 A Q S S+ 0 0 96 -2,-0.3 -1,-0.1 53,-0.1 46,-0.0 0.803 97.6 14.3-103.3 -48.4 9.8 4.6 15.2 12 1012 A T S S- 0 0 91 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.181 110.0-103.9-114.2 16.1 11.9 4.1 12.1 13 1013 A G S > S+ 0 0 23 1,-0.0 4,-2.3 3,-0.0 5,-0.2 0.302 86.9 117.5 84.9 -9.5 14.5 6.7 12.8 14 1014 A K H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.941 80.0 46.7 -56.5 -50.4 13.4 9.5 10.4 15 1015 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.859 111.2 53.0 -61.4 -35.5 12.7 12.0 13.2 16 1016 A E H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 106.8 51.7 -67.3 -41.0 16.0 11.2 14.8 17 1017 A S H X S+ 0 0 63 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.900 110.6 48.6 -61.3 -41.5 17.9 11.8 11.6 18 1018 A V H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.899 107.8 56.1 -64.9 -39.6 16.2 15.2 11.3 19 1019 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.896 105.3 50.9 -59.4 -41.9 17.1 15.9 14.9 20 1020 A E H X S+ 0 0 74 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.873 110.5 49.2 -65.3 -36.2 20.8 15.3 14.3 21 1021 A I H X S+ 0 0 43 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.933 109.6 51.6 -67.4 -45.5 20.7 17.7 11.3 22 1022 A I H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-0.3 0.943 108.6 52.2 -55.4 -48.7 18.9 20.3 13.4 23 1023 A R H X S+ 0 0 97 -4,-2.6 4,-1.0 1,-0.2 3,-0.4 0.896 109.8 47.9 -54.0 -46.1 21.6 20.0 16.0 24 1024 A D H < S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.802 108.1 56.0 -67.6 -29.1 24.4 20.5 13.4 25 1025 A E H < S+ 0 0 50 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.772 103.1 56.0 -74.4 -25.7 22.6 23.6 12.0 26 1026 A F H < S- 0 0 8 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.782 108.0-117.2 -78.9 -28.8 22.5 25.3 15.4 27 1027 A G >X - 0 0 34 -4,-1.0 3,-2.1 -3,-0.1 4,-0.5 -0.063 51.5 -17.8 107.3 151.7 26.2 25.3 16.2 28 1028 A N T 34 S- 0 0 143 1,-0.3 -4,-0.0 2,-0.1 -5,-0.0 0.160 122.4 -19.1 -29.6 118.7 28.7 23.9 18.7 29 1029 A D T 34 S+ 0 0 108 2,-0.2 -1,-0.3 1,-0.1 -26,-0.3 0.637 102.3 112.5 52.1 23.5 27.1 22.7 22.0 30 1030 A V T <4 S+ 0 0 32 -3,-2.1 -26,-2.2 -7,-0.2 -27,-1.2 0.911 75.0 39.7 -85.5 -47.4 23.9 24.7 21.5 31 1031 A V E < -a 4 0A 8 -4,-0.5 2,-0.4 -8,-0.3 -1,-0.2 -0.856 63.6-167.9-109.4 136.7 21.5 21.7 21.1 32 1032 A T E -a 5 0A 52 -28,-1.9 -26,-2.5 -2,-0.4 2,-0.3 -0.962 20.8-129.9-119.7 139.1 21.6 18.4 22.9 33 1033 A L E -a 6 0A 33 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.686 22.1-175.3 -92.5 142.5 19.5 15.4 21.7 34 1034 A H E -a 7 0A 53 -28,-2.3 -26,-2.5 -2,-0.3 2,-0.8 -0.949 19.8-145.2-141.3 116.1 17.2 13.4 24.0 35 1035 A D E > -a 8 0A 32 -2,-0.4 3,-2.8 -28,-0.2 -26,-0.2 -0.709 15.0-146.0 -80.1 113.3 15.3 10.3 23.0 36 1036 A V G > S+ 0 0 6 -28,-2.9 3,-1.2 -2,-0.8 -1,-0.2 0.632 92.4 79.0 -56.6 -12.4 12.0 10.6 25.0 37 1037 A S G 3 S+ 0 0 56 -29,-0.4 -1,-0.3 1,-0.3 -28,-0.1 0.715 105.3 33.3 -68.1 -18.3 12.1 6.8 25.4 38 1038 A Q G < S+ 0 0 170 -3,-2.8 2,-0.3 2,-0.0 -1,-0.3 0.062 104.7 100.1-122.6 22.0 14.7 7.4 28.1 39 1039 A A < - 0 0 23 -3,-1.2 2,-0.4 -5,-0.1 -5,-0.0 -0.838 56.3-147.8-116.3 150.7 13.4 10.7 29.5 40 1040 A E > - 0 0 115 -2,-0.3 3,-3.0 1,-0.1 4,-0.5 -0.874 34.7-112.0-109.2 144.7 11.3 11.7 32.5 41 1041 A V G > S+ 0 0 21 -2,-0.4 3,-1.0 1,-0.3 4,-0.2 0.760 115.4 64.4 -46.8 -29.2 9.0 14.7 32.2 42 1042 A T G > S+ 0 0 73 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.686 84.2 73.4 -71.7 -18.0 11.2 16.5 34.6 43 1043 A D G X S+ 0 0 46 -3,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.823 89.0 61.6 -64.2 -29.3 14.2 16.5 32.2 44 1044 A L G X S+ 0 0 0 -3,-1.0 3,-1.1 -4,-0.5 -1,-0.3 0.677 89.1 70.3 -70.6 -17.2 12.4 19.1 30.2 45 1045 A N G < S+ 0 0 72 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.696 83.3 71.9 -72.9 -18.2 12.5 21.5 33.1 46 1046 A D G < S+ 0 0 124 -3,-1.2 2,-0.4 -4,-0.3 -1,-0.2 0.521 93.7 64.0 -75.4 -5.3 16.3 21.9 32.7 47 1047 A Y < - 0 0 38 -3,-1.1 3,-0.1 1,-0.1 -43,-0.1 -0.940 51.7-168.9-125.7 144.6 15.8 23.9 29.5 48 1048 A Q S S+ 0 0 102 -45,-0.5 34,-2.1 -2,-0.4 2,-0.4 0.454 89.8 52.6-101.5 -7.2 14.3 27.3 28.8 49 1049 A Y E S+bc 4 82A 62 -46,-0.8 -44,-2.6 32,-0.2 2,-0.3 -0.973 74.4 179.0-133.5 115.9 14.5 26.6 25.1 50 1050 A L E -bc 5 83A 0 32,-2.4 34,-2.5 -2,-0.4 2,-0.5 -0.899 20.8-162.0-123.3 149.2 13.0 23.3 23.8 51 1051 A I E -bc 6 84A 0 -46,-2.2 -44,-1.8 -2,-0.3 2,-0.6 -0.989 15.4-156.1-128.0 117.2 12.5 21.6 20.4 52 1052 A I E -bc 7 85A 0 32,-3.7 34,-2.9 -2,-0.5 2,-0.5 -0.861 9.1-171.6-101.0 117.1 9.9 18.9 20.3 53 1053 A G E +bc 8 86A 0 -46,-2.4 -44,-1.2 -2,-0.6 34,-0.2 -0.918 17.8 149.4-110.4 127.3 10.3 16.2 17.6 54 1054 A C - 0 0 0 32,-2.2 48,-0.4 -2,-0.5 -44,-0.1 -0.879 31.0-146.6-161.4 123.9 7.6 13.7 17.0 55 1055 A P - 0 0 4 0, 0.0 8,-0.8 0, 0.0 2,-0.4 -0.443 26.8-118.9 -83.7 162.1 6.3 11.7 14.0 56 1056 A T E +F 62 0B 23 32,-1.3 2,-0.3 6,-0.1 6,-0.2 -0.865 38.1 175.0-103.4 137.3 2.7 10.8 13.6 57 1057 A W E > +F 61 0B 94 4,-2.5 4,-3.3 -2,-0.4 43,-0.0 -0.834 49.1 23.9-135.4 173.1 1.7 7.1 13.5 58 1058 A N T 4 S- 0 0 105 -2,-0.3 -1,-0.1 2,-0.2 4,-0.1 0.784 128.6 -53.2 39.2 43.0 -1.3 4.7 13.4 59 1059 A I T 4 S- 0 0 109 1,-0.2 -1,-0.2 -3,-0.1 39,-0.1 0.997 126.8 -10.6 60.0 78.0 -3.5 7.5 12.0 60 1060 A G T 4 S+ 0 0 12 37,-0.3 2,-0.2 1,-0.3 -2,-0.2 0.542 99.6 133.6 85.6 7.7 -3.2 10.4 14.3 61 1061 A E E < -F 57 0B 93 -4,-3.3 -4,-2.5 1,-0.1 -1,-0.3 -0.615 58.7-112.6 -92.7 152.3 -1.4 8.8 17.2 62 1062 A L E -F 56 0B 6 -2,-0.2 -6,-0.1 -6,-0.2 5,-0.1 -0.495 48.5 -88.4 -75.8 150.2 1.7 10.2 19.0 63 1063 A Q > - 0 0 0 -8,-0.8 4,-2.1 -2,-0.1 3,-0.5 -0.330 50.2-102.6 -57.4 143.1 4.8 8.2 18.5 64 1064 A S H > S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.816 116.7 40.5 -34.5 -64.1 5.0 5.4 21.1 65 1065 A D H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.851 113.8 53.7 -62.7 -36.8 7.5 6.9 23.6 66 1066 A W H > S+ 0 0 0 -3,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.859 102.4 60.3 -66.1 -32.3 6.1 10.4 23.3 67 1067 A E H X S+ 0 0 85 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.889 106.4 47.0 -60.8 -40.0 2.7 9.0 24.1 68 1068 A G H < S+ 0 0 41 -4,-1.3 4,-0.4 2,-0.2 3,-0.3 0.943 115.4 43.0 -67.6 -47.4 4.2 7.8 27.4 69 1069 A L H >X S+ 0 0 4 -4,-2.0 3,-1.4 1,-0.2 4,-0.5 0.847 105.6 66.6 -67.1 -32.5 5.8 11.1 28.2 70 1070 A Y H >X S+ 0 0 66 -4,-3.0 3,-1.7 1,-0.3 4,-0.5 0.894 92.6 59.2 -54.5 -45.2 2.7 12.9 27.1 71 1071 A S H 3< S+ 0 0 84 -4,-1.2 -1,-0.3 -3,-0.3 3,-0.2 0.710 104.0 52.5 -59.6 -21.4 0.7 11.5 30.0 72 1072 A E H X4 S+ 0 0 85 -3,-1.4 3,-1.4 -4,-0.4 -1,-0.3 0.543 86.2 84.3 -92.7 -8.7 3.1 13.2 32.4 73 1073 A L H X< S+ 0 0 0 -3,-1.7 3,-2.4 -4,-0.5 -1,-0.2 0.855 75.2 69.7 -61.6 -39.2 2.9 16.7 30.9 74 1074 A D T 3< S+ 0 0 88 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.610 100.6 49.5 -57.4 -11.2 -0.3 17.6 32.8 75 1075 A D T < S+ 0 0 152 -3,-1.4 -1,-0.3 2,-0.0 2,-0.3 0.276 101.7 73.3-112.7 9.9 1.8 17.7 36.0 76 1076 A V S < S- 0 0 11 -3,-2.4 2,-0.4 -4,-0.0 -34,-0.0 -0.794 72.6-126.8-120.1 163.5 4.7 19.8 34.8 77 1077 A D + 0 0 80 -2,-0.3 36,-0.2 1,-0.1 35,-0.1 -0.933 21.9 175.0-116.6 135.4 5.0 23.6 34.1 78 1078 A F > + 0 0 0 34,-2.7 3,-1.9 -2,-0.4 37,-0.3 0.305 33.0 136.9-117.1 6.2 6.2 25.1 30.8 79 1079 A N T 3 S+ 0 0 100 33,-0.6 35,-0.2 1,-0.3 3,-0.1 -0.228 71.9 21.8 -55.6 141.1 5.6 28.8 31.5 80 1080 A G T 3 S+ 0 0 67 33,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.427 99.9 115.5 81.7 -2.9 8.5 31.1 30.5 81 1081 A K < - 0 0 14 -3,-1.9 34,-2.8 32,-0.2 2,-0.5 -0.797 60.0-140.9-103.6 144.3 9.8 28.5 28.0 82 1082 A L E -cd 49 115A 38 -34,-2.1 -32,-2.4 -2,-0.4 2,-0.4 -0.896 25.5-168.3-100.5 126.7 9.9 28.9 24.2 83 1083 A V E -cd 50 116A 0 32,-3.2 34,-2.0 -2,-0.5 2,-0.3 -0.969 10.5-171.9-125.6 132.7 9.0 25.7 22.5 84 1084 A A E -c 51 0A 0 -34,-2.5 -32,-3.7 -2,-0.4 2,-0.4 -0.878 10.9-152.2-117.5 151.4 9.4 24.7 18.8 85 1085 A Y E +c 52 0A 0 54,-0.5 56,-2.0 32,-0.4 2,-0.3 -0.946 16.7 168.0-129.2 146.9 8.0 21.6 17.2 86 1086 A F E +ce 53 141A 0 -34,-2.9 -32,-2.2 -2,-0.4 2,-0.3 -0.990 7.0 167.8-150.0 152.9 9.0 19.4 14.2 87 1087 A G E - e 0 142A 0 54,-2.0 56,-3.1 -2,-0.3 2,-0.4 -0.989 31.6-118.9-165.6 155.9 7.9 16.0 13.0 88 1088 A T E + e 0 143A 12 -2,-0.3 -32,-1.3 54,-0.2 2,-0.3 -0.774 43.4 152.7 -96.9 142.9 8.0 13.6 10.1 89 1089 A G - 0 0 9 54,-2.1 57,-0.6 -2,-0.4 2,-0.4 -0.898 44.6-110.6-155.0-176.7 4.8 12.5 8.5 90 1090 A D > - 0 0 33 -2,-0.3 4,-1.7 4,-0.2 7,-0.2 -0.876 21.7-177.4-132.0 98.0 3.2 11.3 5.3 91 1091 A Q T 4 S+ 0 0 4 -2,-0.4 37,-0.2 1,-0.2 7,-0.1 0.669 83.9 46.6 -68.8 -19.3 0.9 13.8 3.6 92 1092 A I T >4 S+ 0 0 94 2,-0.2 3,-0.7 35,-0.1 -1,-0.2 0.924 117.6 35.5 -89.3 -52.5 -0.1 11.4 0.9 93 1093 A G T 34 S+ 0 0 50 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.746 135.3 26.7 -73.8 -23.2 -0.9 8.2 2.7 94 1094 A F T >< + 0 0 92 -4,-1.7 3,-1.8 1,-0.1 -1,-0.2 -0.317 70.0 151.2-136.4 53.5 -2.4 10.0 5.7 95 1095 A A T < S+ 0 0 28 -3,-0.7 34,-2.8 1,-0.3 33,-2.0 0.720 73.8 56.4 -57.1 -24.8 -3.6 13.3 4.3 96 1096 A D T 3 S+ 0 0 83 32,-0.3 -1,-0.3 1,-0.2 -5,-0.1 0.561 118.4 29.4 -87.4 -8.3 -6.3 13.6 6.9 97 1097 A N S X S+ 0 0 36 -3,-1.8 3,-1.6 -7,-0.2 2,-0.4 -0.066 78.1 161.4-140.6 34.9 -4.0 13.3 9.9 98 1098 A F T 3 S- 0 0 2 31,-1.4 34,-0.5 -3,-0.5 33,-0.2 -0.456 78.2 -11.8 -65.4 117.1 -0.8 14.9 8.6 99 1099 A Q T 3> S+ 0 0 0 -2,-0.4 4,-1.2 31,-0.1 -1,-0.3 0.763 83.1 147.9 64.3 28.8 1.5 15.8 11.5 100 1100 A D H <> + 0 0 2 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.874 62.7 68.2 -59.8 -35.8 -1.3 15.4 14.1 101 1101 A A H > S+ 0 0 0 -4,-0.3 4,-2.5 -40,-0.3 -1,-0.2 0.914 101.8 40.5 -50.4 -56.9 1.4 14.3 16.6 102 1102 A I H > S+ 0 0 0 -48,-0.4 4,-2.5 -3,-0.2 -1,-0.2 0.798 113.5 57.2 -66.2 -26.2 3.1 17.7 17.0 103 1103 A G H X S+ 0 0 4 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.938 109.2 44.4 -67.0 -44.6 -0.3 19.3 17.0 104 1104 A I H X S+ 0 0 37 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.918 115.8 46.8 -63.9 -46.2 -1.4 17.2 20.0 105 1105 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.891 112.3 50.6 -64.3 -41.4 1.9 17.8 21.8 106 1106 A E H X S+ 0 0 5 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.939 107.4 52.5 -64.9 -47.0 1.8 21.5 21.1 107 1107 A E H X S+ 0 0 96 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.926 114.6 43.1 -54.0 -46.7 -1.7 22.0 22.4 108 1108 A K H X S+ 0 0 20 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.942 116.4 45.4 -65.8 -50.1 -0.8 20.2 25.6 109 1109 A I H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 -2,-0.2 0.901 114.7 47.1 -63.8 -41.6 2.5 22.0 26.2 110 1110 A S H ><5S+ 0 0 33 -4,-3.1 3,-2.2 1,-0.2 -1,-0.2 0.913 109.3 56.0 -65.2 -39.0 1.1 25.4 25.3 111 1111 A Q H 3<5S+ 0 0 118 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.868 105.8 52.2 -58.2 -35.9 -1.8 24.6 27.6 112 1112 A R T 3<5S- 0 0 79 -4,-1.7 -34,-2.7 -5,-0.1 -33,-0.6 0.288 135.1 -87.0 -85.0 10.0 0.8 24.0 30.3 113 1113 A G T < 5S+ 0 0 19 -3,-2.2 -33,-0.6 1,-0.3 -32,-0.2 0.246 80.1 138.9 109.0 -16.4 2.4 27.4 29.7 114 1114 A G < - 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