==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 04-JUN-99 1QQF . COMPND 2 MOLECULE: PROTEIN (COMPLEMENT C3DG); . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR G.ZANOTTI,A.BASSETTO,R.BATTISTUTTA,M.STOPPINI,R.BERNI . 277 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.2 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 0 1 0 1 0 0 1 1 1 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL 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 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 1010 A X > 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 165.7 58.3 18.8 25.5 2 1011 A G T 4 + 0 0 0 57,-2.7 4,-0.3 56,-0.2 57,-0.2 0.601 360.0 43.0 -73.9 -15.2 59.5 22.4 26.0 3 1012 A E T >> S+ 0 0 1 56,-0.2 4,-2.1 2,-0.1 3,-0.7 0.863 113.0 48.8 -91.0 -52.1 56.7 24.1 24.1 4 1013 A Q H 3> S+ 0 0 92 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.850 105.0 60.8 -58.6 -37.6 53.8 22.0 25.4 5 1014 A N H 3X S+ 0 0 25 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.899 107.1 45.6 -57.7 -39.0 55.0 22.5 29.0 6 1015 A M H <> S+ 0 0 0 -3,-0.7 4,-1.6 -4,-0.3 -2,-0.2 0.850 111.1 52.3 -71.3 -38.4 54.5 26.3 28.5 7 1016 A I H < S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.949 112.6 46.5 -55.1 -50.4 51.2 25.8 26.9 8 1017 A G H < S+ 0 0 47 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.857 113.9 47.9 -58.9 -40.7 50.1 23.7 29.9 9 1018 A M H X S+ 0 0 10 -4,-1.8 4,-2.1 -5,-0.2 3,-0.3 0.769 92.8 79.2 -72.1 -31.4 51.5 26.2 32.4 10 1019 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.3 0.868 85.6 50.6 -61.6 -49.3 50.0 29.3 31.1 11 1020 A P H > S+ 0 0 40 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.898 113.2 44.8 -61.3 -38.2 46.4 29.4 32.2 12 1021 A T H > S+ 0 0 35 -4,-0.4 4,-2.4 -3,-0.3 5,-0.3 0.928 111.0 54.1 -71.4 -43.1 47.0 28.7 35.8 13 1022 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.961 115.6 38.9 -50.7 -49.3 49.9 31.2 36.1 14 1023 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.849 112.2 57.0 -80.1 -26.4 47.7 34.0 34.7 15 1024 A A H X S+ 0 0 35 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.933 109.0 46.4 -63.0 -48.1 44.6 32.9 36.6 16 1025 A V H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 113.2 50.2 -61.5 -47.7 46.5 33.1 40.0 17 1026 A H H X S+ 0 0 30 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.930 112.8 46.3 -52.5 -48.8 47.8 36.5 38.9 18 1027 A Y H X S+ 0 0 27 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.930 113.1 47.0 -63.4 -48.9 44.3 37.7 38.0 19 1028 A L H X>S+ 0 0 18 -4,-2.7 5,-1.9 2,-0.2 4,-0.9 0.887 115.6 49.0 -60.7 -39.6 42.6 36.5 41.2 20 1029 A D H ><5S+ 0 0 41 -4,-2.5 3,-0.7 -5,-0.3 -2,-0.2 0.972 113.1 43.6 -62.9 -53.6 45.5 38.0 43.2 21 1030 A Q H 3<5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.811 120.9 40.1 -66.9 -34.1 45.4 41.4 41.5 22 1031 A T H 3<5S- 0 0 18 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.460 103.9-129.2 -93.1 -4.7 41.6 41.8 41.5 23 1032 A E T <<5 + 0 0 176 -4,-0.9 3,-0.2 -3,-0.7 -3,-0.2 0.938 60.0 141.0 53.9 55.8 41.3 40.3 45.0 24 1033 A Q >< + 0 0 77 -5,-1.9 4,-1.3 1,-0.1 3,-0.2 0.082 24.5 109.1-116.7 23.8 38.7 37.8 43.9 25 1034 A W H > + 0 0 21 -6,-0.4 4,-3.3 1,-0.2 7,-0.2 0.717 66.7 70.0 -72.2 -19.1 39.6 34.7 45.9 26 1035 A E H 4 S+ 0 0 194 -3,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.942 107.9 36.2 -61.7 -44.8 36.6 34.8 48.2 27 1036 A K H 4 S+ 0 0 201 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 123.5 44.7 -74.8 -33.7 34.2 33.9 45.4 28 1037 A F H < S- 0 0 109 -4,-1.3 -2,-0.2 -9,-0.1 -1,-0.2 0.912 123.3 -95.6 -75.5 -43.4 36.7 31.6 43.8 29 1038 A G >< - 0 0 9 -4,-3.3 3,-1.8 -5,-0.1 4,-0.2 0.371 22.0-146.4 124.6 99.8 37.8 29.8 47.0 30 1039 A L G > S+ 0 0 109 1,-0.3 3,-1.9 -4,-0.2 4,-0.4 0.857 97.2 69.0 -66.8 -25.6 41.0 31.0 48.8 31 1040 A E G 3 S+ 0 0 135 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.607 91.7 63.6 -64.1 -4.5 41.7 27.4 49.9 32 1041 A K G <> S+ 0 0 93 -3,-1.8 4,-1.4 -7,-0.2 -1,-0.3 0.547 80.7 81.0 -91.2 -10.6 42.4 26.7 46.2 33 1042 A R H <> S+ 0 0 57 -3,-1.9 4,-2.4 -4,-0.2 5,-0.2 0.919 85.7 53.3 -71.7 -42.5 45.4 29.0 45.8 34 1043 A Q H > S+ 0 0 101 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.907 108.2 50.1 -64.4 -39.3 48.2 26.8 47.3 35 1044 A E H > S+ 0 0 149 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.903 109.9 52.3 -64.5 -36.2 47.4 23.8 45.0 36 1045 A A H X S+ 0 0 21 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.924 107.4 52.5 -62.4 -41.9 47.5 26.1 42.0 37 1046 A L H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.910 104.7 55.5 -60.8 -39.8 50.9 27.4 43.1 38 1047 A E H X S+ 0 0 88 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.905 106.6 50.5 -62.5 -36.6 52.2 23.8 43.3 39 1048 A L H X S+ 0 0 84 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.930 109.1 51.0 -65.5 -43.9 51.2 23.3 39.7 40 1049 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.897 109.6 50.7 -59.9 -41.9 53.0 26.4 38.7 41 1050 A K H X S+ 0 0 71 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.899 109.3 50.7 -60.3 -44.2 56.2 25.2 40.6 42 1051 A K H X S+ 0 0 118 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.909 109.8 51.2 -61.6 -40.1 55.9 21.9 38.7 43 1052 A G H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.933 110.7 48.3 -62.7 -44.1 55.7 23.8 35.4 44 1053 A Y H X S+ 0 0 22 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.952 112.6 47.3 -57.7 -51.5 58.7 25.8 36.2 45 1054 A T H X S+ 0 0 88 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.926 111.5 50.3 -59.8 -43.3 60.8 22.8 37.2 46 1055 A Q H >< S+ 0 0 71 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.893 106.6 56.5 -63.0 -36.6 59.8 20.9 34.2 47 1056 A Q H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.860 95.7 64.7 -66.7 -34.2 60.7 23.8 31.9 48 1057 A L H >< S+ 0 0 58 -4,-1.8 3,-1.5 1,-0.3 -1,-0.3 0.792 89.4 67.8 -58.2 -28.1 64.2 23.9 33.3 49 1058 A A T << S+ 0 0 63 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.606 101.0 49.0 -63.1 -15.0 64.8 20.5 31.8 50 1059 A F T < S+ 0 0 39 -3,-2.2 8,-0.7 -4,-0.2 2,-0.6 0.299 80.3 115.8-110.5 5.5 64.5 22.1 28.4 51 1060 A K B < -A 57 0A 77 -3,-1.5 6,-0.2 -4,-0.2 10,-0.1 -0.687 57.9-146.3 -75.2 122.1 67.0 25.0 29.1 52 1061 A Q > - 0 0 18 4,-2.8 3,-2.8 -2,-0.6 -2,-0.1 -0.393 31.3 -98.0 -82.5 162.1 70.0 24.5 26.8 53 1062 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.762 126.2 61.5 -55.7 -24.7 73.5 25.4 27.9 54 1063 A I T 3 S- 0 0 74 2,-0.1 43,-0.1 1,-0.1 3,-0.1 0.552 117.2-115.9 -69.6 -13.7 73.0 28.8 26.1 55 1064 A S S < S+ 0 0 21 -3,-2.8 2,-0.2 1,-0.4 42,-0.1 0.387 79.6 118.5 79.7 9.4 70.1 29.5 28.5 56 1065 A A - 0 0 0 41,-0.1 -4,-2.8 37,-0.1 -1,-0.4 -0.481 55.8-126.2 -94.8 170.4 67.7 29.4 25.5 57 1066 A Y B +A 51 0A 1 9,-0.4 9,-2.4 -6,-0.2 13,-0.3 -0.883 26.5 164.7-123.0 150.4 64.8 27.0 25.0 58 1067 A A - 0 0 1 -8,-0.7 -56,-0.2 -2,-0.3 57,-0.1 -0.924 52.0 -97.9-149.2 170.5 63.4 24.7 22.4 59 1068 A A S S+ 0 0 0 -2,-0.3 -57,-2.7 5,-0.2 2,-0.3 0.817 111.9 22.4 -58.9 -36.5 60.8 21.9 22.3 60 1069 A F S > S- 0 0 102 -59,-0.2 3,-1.7 -58,-0.1 -1,-0.1 -0.955 80.2-120.9-129.8 149.9 63.6 19.3 22.6 61 1070 A N T 3 S+ 0 0 82 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.750 116.6 52.4 -61.3 -26.0 67.1 19.7 24.0 62 1071 A N T 3 S+ 0 0 164 2,-0.1 -1,-0.3 -10,-0.0 -3,-0.0 0.494 91.7 93.6 -84.1 -6.7 68.3 18.5 20.6 63 1072 A R S < S- 0 0 82 -3,-1.7 3,-0.1 1,-0.1 50,-0.1 -0.737 88.0-105.5 -89.5 136.4 66.3 21.1 18.7 64 1073 A P - 0 0 89 0, 0.0 -5,-0.2 0, 0.0 -4,-0.1 -0.258 53.5 -90.9 -54.8 143.5 67.9 24.5 17.8 65 1074 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.138 31.7-132.1 -66.2 149.1 66.6 27.2 20.1 66 1075 A S > - 0 0 2 -9,-2.4 4,-2.2 1,-0.2 -9,-0.4 -0.863 2.8-155.2 -95.7 127.9 63.5 29.4 19.3 67 1076 A T H > S+ 0 0 0 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.946 98.3 49.1 -61.4 -50.7 63.7 33.1 19.8 68 1077 A W H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 112.5 46.2 -53.8 -56.3 60.0 33.3 20.3 69 1078 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 111.0 52.1 -59.9 -42.3 59.8 30.5 22.8 70 1079 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 -13,-0.3 -1,-0.2 0.929 112.0 46.8 -60.8 -42.8 62.8 31.8 24.8 71 1080 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.883 110.6 52.5 -67.7 -37.1 61.1 35.3 25.0 72 1081 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.888 108.1 50.8 -64.4 -40.8 57.8 33.6 26.0 73 1082 A V H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.930 110.7 49.7 -60.8 -44.2 59.6 31.8 28.8 74 1083 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.936 112.0 49.0 -58.0 -44.6 61.1 35.2 29.9 75 1084 A R H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.961 116.8 39.7 -59.7 -51.3 57.5 36.7 29.8 76 1085 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.930 116.8 48.9 -68.6 -45.2 55.9 33.9 31.8 77 1086 A F H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.879 107.9 56.0 -63.9 -39.3 58.8 33.5 34.3 78 1087 A S H < S+ 0 0 7 -4,-2.3 4,-0.2 -5,-0.3 -1,-0.2 0.934 114.4 38.3 -61.2 -45.2 59.0 37.3 34.9 79 1088 A L H >< S+ 0 0 16 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.901 115.7 53.0 -69.4 -41.6 55.4 37.4 35.9 80 1089 A A H >X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 3,-2.2 0.717 88.4 80.0 -70.1 -19.7 55.6 34.1 37.8 81 1090 A A T 3< S+ 0 0 28 -4,-1.8 -1,-0.3 1,-0.3 5,-0.2 0.673 90.9 55.1 -59.5 -19.9 58.6 35.3 39.9 82 1091 A N T <4 S+ 0 0 131 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.477 115.7 36.8 -89.6 -7.2 56.0 37.1 42.0 83 1092 A L T <4 S+ 0 0 23 -3,-2.2 2,-0.3 1,-0.4 -2,-0.2 0.741 126.6 15.9-109.2 -43.0 54.1 33.9 42.6 84 1093 A I S < S- 0 0 12 -4,-2.8 2,-0.4 -44,-0.1 -1,-0.4 -0.912 90.1 -87.3-132.3 156.6 56.9 31.2 43.0 85 1094 A A - 0 0 94 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.555 47.3-175.7 -66.3 120.3 60.7 31.3 43.5 86 1095 A I - 0 0 29 -2,-0.4 2,-0.7 -5,-0.2 3,-0.0 -0.976 29.5-118.0-124.7 135.6 62.4 31.6 40.2 87 1096 A D >> - 0 0 81 -2,-0.4 4,-1.9 1,-0.2 3,-1.2 -0.628 17.8-155.5 -74.4 111.2 66.2 31.5 39.7 88 1097 A S H 3> S+ 0 0 30 -2,-0.7 4,-2.9 1,-0.3 5,-0.4 0.797 92.6 64.5 -60.0 -28.2 67.2 34.9 38.2 89 1098 A Q H 3> S+ 0 0 111 2,-0.2 4,-1.1 3,-0.2 -1,-0.3 0.899 106.1 43.5 -64.3 -31.4 70.3 33.3 36.8 90 1099 A V H <> S+ 0 0 10 -3,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.965 118.6 43.2 -71.7 -54.4 68.0 31.2 34.5 91 1100 A L H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 3,-0.2 0.940 118.3 43.5 -59.0 -50.3 65.6 34.1 33.6 92 1101 A a H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.798 106.6 60.8 -75.5 -22.9 68.4 36.6 33.0 93 1102 A G H X S+ 0 0 2 -4,-1.1 4,-2.1 -5,-0.4 -1,-0.2 0.904 106.2 48.1 -63.0 -40.7 70.5 34.1 31.1 94 1103 A A H X S+ 0 0 1 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.909 110.8 51.1 -64.9 -43.0 67.7 33.8 28.6 95 1104 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.942 109.8 50.0 -55.6 -50.4 67.5 37.6 28.4 96 1105 A K H X S+ 0 0 88 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.919 110.0 49.9 -58.8 -46.4 71.2 37.9 27.8 97 1106 A W H X>S+ 0 0 19 -4,-2.1 4,-2.5 1,-0.2 5,-0.7 0.935 107.9 53.9 -60.2 -45.0 71.0 35.3 25.0 98 1107 A L H X5S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 5,-0.3 0.933 115.9 38.6 -54.1 -49.1 68.1 37.1 23.3 99 1108 A I H X5S+ 0 0 14 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.900 120.7 42.1 -71.1 -42.4 70.0 40.4 23.1 100 1109 A L H <5S+ 0 0 124 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.763 129.4 24.2 -82.1 -25.2 73.4 39.1 22.3 101 1110 A E H <5S+ 0 0 126 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.743 126.0 36.0-106.3 -31.0 72.4 36.5 19.7 102 1111 A K H < - 0 0 70 4,-3.3 3,-2.2 -2,-0.6 -2,-0.1 -0.342 32.3-100.3 -79.5 163.8 70.1 42.8 14.7 105 1114 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.793 122.7 57.9 -55.6 -29.8 71.7 46.3 14.5 106 1115 A D T 3 S- 0 0 86 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.395 122.8-105.2 -80.5 1.9 68.4 47.9 13.4 107 1116 A G S < S+ 0 0 0 -3,-2.2 2,-0.1 1,-0.3 60,-0.1 0.236 76.3 134.6 92.8 -12.4 66.8 46.6 16.6 108 1117 A V - 0 0 0 -5,-0.1 -4,-3.3 54,-0.1 2,-0.4 -0.421 48.9-136.3 -73.7 142.3 64.8 43.7 15.0 109 1118 A F B -B 103 0B 0 22,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.820 19.1-147.7 -94.9 139.6 64.8 40.3 16.7 110 1119 A Q - 0 0 71 -8,-2.3 2,-0.6 -2,-0.4 21,-0.0 -0.886 6.5-143.2-114.4 142.8 65.1 37.3 14.4 111 1120 A E + 0 0 42 -2,-0.4 -45,-0.1 1,-0.1 23,-0.0 -0.933 23.8 167.6-103.3 112.7 63.7 33.8 14.8 112 1121 A D S S+ 0 0 85 -2,-0.6 -1,-0.1 -47,-0.2 -46,-0.1 0.555 76.7 38.5 -95.4 -12.7 66.1 31.1 13.6 113 1122 A G S S- 0 0 6 -48,-0.1 -1,-0.2 -50,-0.1 -45,-0.1 -0.613 81.3-154.3-142.3 74.5 64.2 28.1 15.0 114 1123 A P - 0 0 67 0, 0.0 4,-0.1 0, 0.0 2,-0.0 -0.099 27.9-101.0 -54.4 148.0 60.5 28.5 14.7 115 1124 A V - 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0 0 5 -3,-1.6 -3,-0.0 -4,-0.3 -45,-0.0 -0.420 38.4-174.2 -67.9 145.0 51.6 49.2 9.5 175 1184 A Q + 0 0 139 -2,-0.1 -1,-0.1 29,-0.0 3,-0.1 0.616 56.4 86.6-109.0 -23.4 48.4 47.6 8.0 176 1185 A R > - 0 0 15 1,-0.1 4,-2.4 37,-0.0 5,-0.2 -0.665 63.0-150.1 -84.8 129.1 47.5 45.0 10.6 177 1186 A P H > S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.896 101.4 58.5 -55.2 -39.2 45.4 45.8 13.6 178 1187 A Y H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.917 109.5 41.8 -53.8 -50.2 47.3 43.1 15.5 179 1188 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.900 112.2 53.2 -70.6 -38.6 50.6 44.8 14.9 180 1189 A V H X S+ 0 0 1 -4,-2.4 4,-1.6 3,-0.2 -1,-0.2 0.878 113.5 46.9 -63.2 -35.0 49.3 48.3 15.6 181 1190 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.973 116.6 38.4 -73.0 -53.1 48.0 46.9 18.9 182 1191 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.919 121.9 43.8 -67.3 -40.7 51.1 44.9 20.1 183 1192 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.859 108.6 60.5 -71.2 -30.7 53.5 47.5 18.9 184 1193 A G H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.4 -2,-0.2 0.906 107.7 44.4 -55.8 -47.5 51.2 50.2 20.3 185 1194 A Y H X S+ 0 0 18 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.922 111.0 53.4 -66.0 -43.1 51.7 48.6 23.8 186 1195 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.925 112.0 45.3 -55.4 -45.8 55.4 48.3 23.2 187 1196 A L H ><>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.9 0.894 110.8 53.2 -64.5 -43.2 55.6 52.1 22.4 188 1197 A A H ><5S+ 0 0 5 -4,-2.5 3,-2.1 4,-0.3 -2,-0.2 0.910 100.7 61.0 -62.0 -38.0 53.4 53.0 25.3 189 1198 A L H 3<5S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 111.8 39.5 -55.9 -29.6 55.7 51.1 27.7 190 1199 A M T <<5S- 0 0 29 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.104 118.4-110.6-105.5 16.4 58.5 53.5 26.6 191 1200 A N T < 5S+ 0 0 132 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.817 86.8 119.0 54.9 40.2 56.3 56.6 26.6 192 1201 A K < + 0 0 32 -5,-3.0 2,-2.1 -8,-0.1 -4,-0.3 0.279 34.1 105.1-112.2 3.0 56.5 56.8 22.8 193 1202 A L + 0 0 7 -6,-0.6 2,-0.2 -8,-0.1 -1,-0.1 -0.432 55.5 114.3 -86.6 71.8 52.8 56.3 22.1 194 1203 A E >> - 0 0 109 -2,-2.1 4,-1.5 1,-0.1 3,-1.3 -0.722 61.9 -19.1-126.6 178.8 52.3 60.0 21.3 195 1204 A E T 34 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.3 0, 0.0 -0.371 123.0 20.0 -63.0 144.1 51.3 61.8 18.1 196 1205 A P T 3> S+ 0 0 65 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 -0.999 129.8 48.1 -92.5 -1.0 51.4 60.9 15.3 197 1206 A Y H <> S+ 0 0 44 -3,-1.3 4,-2.5 1,-0.2 -2,-0.3 0.851 105.6 61.4 -64.2 -36.4 51.5 57.3 16.4 198 1207 A L H X S+ 0 0 36 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.931 102.1 49.9 -60.4 -47.3 48.6 57.7 18.8 199 1208 A T H > S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 110.3 51.5 -54.0 -44.8 46.2 58.7 16.0 200 1209 A K H X S+ 0 0 46 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.961 110.8 48.3 -55.6 -50.6 47.3 55.6 14.1 201 1210 A F H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 3,-0.5 0.949 117.5 40.1 -55.9 -50.9 46.7 53.4 17.1 202 1211 A L H >< S+ 0 0 63 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.873 110.4 56.9 -69.7 -38.0 43.2 54.8 17.9 203 1212 A N H 3< S+ 0 0 120 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.758 99.5 62.6 -67.3 -22.6 42.0 55.1 14.3 204 1213 A T H 3< S+ 0 0 35 -4,-1.2 8,-0.4 -3,-0.5 -1,-0.2 0.757 85.0 91.7 -79.5 -23.0 42.7 51.3 13.8 205 1214 A A S << S- 0 0 20 -3,-0.7 2,-0.4 -4,-0.6 6,-0.2 -0.306 71.7-133.1 -67.6 152.1 40.2 50.1 16.4 206 1215 A K B >> S-C 210 0C 83 4,-2.7 3,-2.6 1,-0.2 4,-1.3 -0.907 82.7 -5.9-110.1 136.2 36.6 49.4 15.4 207 1216 A D T 34 S- 0 0 113 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.735 113.7 -84.1 52.8 33.3 33.6 50.7 17.4 208 1217 A R T 34 S+ 0 0 162 -3,-0.2 -1,-0.3 -6,-0.2 35,-0.2 0.714 123.1 81.4 34.1 37.9 36.2 52.0 19.9 209 1218 A N T <4 S+ 0 0 28 -3,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.570 86.8 25.7-136.9 -5.9 36.2 48.6 21.5 210 1219 A R B < -C 206 0C 32 -4,-1.3 -4,-2.7 36,-0.1 2,-0.6 -0.995 51.1-136.2-159.8 156.4 38.5 46.2 19.5 211 1220 A W - 0 0 5 9,-0.4 2,-0.4 -2,-0.3 13,-0.3 -0.973 47.7-175.1-114.4 105.0 41.5 45.7 17.2 212 1221 A E - 0 0 60 -2,-0.6 5,-0.1 -8,-0.4 -2,-0.1 -0.924 29.6-173.6-125.1 131.8 40.1 43.2 14.8 213 1222 A E > - 0 0 14 -2,-0.4 3,-1.0 3,-0.3 7,-0.2 -0.907 45.1 -96.2-107.3 143.8 41.3 41.0 11.9 214 1223 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.363 100.1 3.2 -69.2 140.8 38.7 39.0 10.0 215 1224 A G T 3 S+ 0 0 80 1,-0.1 -3,-0.0 2,-0.0 2,-0.0 0.741 102.6 103.8 64.1 32.6 38.3 35.3 10.9 216 1225 A Q <> + 0 0 72 -3,-1.0 4,-2.4 1,-0.1 -3,-0.3 -0.422 35.0 164.5-143.7 60.0 40.7 35.4 13.8 217 1226 A Q H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.877 79.0 43.2 -50.8 -48.6 38.8 35.5 17.0 218 1227 A L H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 111.0 53.9 -73.7 -34.3 41.7 34.6 19.3 219 1228 A Y H > S+ 0 0 29 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.921 109.8 51.5 -58.0 -39.9 44.2 36.9 17.6 220 1229 A N H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -9,-0.4 0.853 107.2 50.2 -71.0 -36.6 41.7 39.7 18.2 221 1230 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.935 114.6 45.8 -62.0 -44.0 41.3 38.9 21.9 222 1231 A E H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.946 114.6 46.0 -63.9 -48.2 45.1 39.0 22.2 223 1232 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.910 112.7 50.2 -59.8 -44.6 45.5 42.2 20.2 224 1233 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 -13,-0.3 -1,-0.2 0.847 107.5 55.4 -68.5 -31.0 42.7 44.0 22.0 225 1234 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.933 108.1 47.1 -68.7 -43.8 44.2 43.0 25.3 226 1235 A Y H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.922 111.8 52.4 -59.4 -41.2 47.5 44.6 24.4 227 1236 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.873 106.9 52.1 -60.8 -39.8 45.5 47.7 23.3 228 1237 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.920 107.2 52.2 -63.2 -45.9 43.8 47.8 26.6 229 1238 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 111.0 48.9 -60.1 -38.2 47.2 47.7 28.4 230 1239 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 108.6 51.0 -66.4 -45.1 48.3 50.7 26.2 231 1240 A L H <>S+ 0 0 2 -4,-2.5 5,-2.2 2,-0.2 4,-0.3 0.839 110.1 52.3 -60.8 -33.9 45.2 52.7 26.9 232 1241 A L H ><5S+ 0 0 3 -4,-2.1 3,-1.5 2,-0.2 -1,-0.2 0.934 108.2 49.0 -69.6 -44.9 45.8 52.1 30.6 233 1242 A L H 3<5S+ 0 0 78 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.878 107.8 55.5 -57.9 -39.6 49.4 53.4 30.4 234 1243 A L T 3<5S- 0 0 57 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.610 108.0-130.7 -66.5 -12.4 48.1 56.4 28.5 235 1244 A K T < 5 + 0 0 160 -3,-1.5 2,-1.4 -4,-0.3 -3,-0.2 0.747 57.4 149.8 59.8 29.7 45.8 57.0 31.5 236 1245 A D > < + 0 0 44 -5,-2.2 3,-1.1 1,-0.2 4,-0.5 -0.600 9.6 161.8 -90.8 71.9 43.0 57.3 28.9 237 1246 A F T 3 + 0 0 80 -2,-1.4 3,-0.3 1,-0.3 -1,-0.2 0.697 65.2 67.4 -74.4 -18.9 40.3 56.0 31.1 238 1247 A D T 3 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.799 103.5 46.2 -62.0 -33.8 37.5 57.5 28.9 239 1248 A S S <> S+ 0 0 32 -3,-1.1 4,-0.7 1,-0.1 -1,-0.2 0.566 99.4 74.5 -87.7 -11.1 38.5 55.0 26.1 240 1249 A V H > S+ 0 0 2 -4,-0.5 4,-2.5 -3,-0.3 3,-0.4 0.903 76.2 66.4 -78.3 -46.3 38.7 52.0 28.4 241 1250 A P H > S+ 0 0 56 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.863 102.0 47.9 -52.8 -43.6 35.1 50.9 29.3 242 1251 A P H > S+ 0 0 6 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.917 113.2 49.4 -64.3 -36.8 34.1 49.8 25.8 243 1252 A V H X S+ 0 0 1 -4,-0.7 4,-2.6 -3,-0.4 5,-0.2 0.948 112.1 47.5 -65.0 -48.6 37.3 47.8 25.4 244 1253 A V H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.931 111.8 51.0 -55.4 -48.2 36.8 46.1 28.7 245 1254 A R H X S+ 0 0 142 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.942 111.1 47.7 -56.9 -46.8 33.2 45.3 27.9 246 1255 A W H >X S+ 0 0 30 -4,-2.5 4,-0.8 1,-0.2 3,-0.5 0.940 111.5 50.0 -62.1 -44.6 34.1 43.8 24.5 247 1256 A L H >< S+ 0 0 5 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.927 107.7 53.3 -61.1 -42.1 36.8 41.7 26.0 248 1257 A N H 3< S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 107.2 53.3 -66.5 -23.1 34.5 40.3 28.8 249 1258 A D H << S+ 0 0 120 -4,-1.4 -1,-0.3 -3,-0.5 2,-0.2 0.578 91.6 101.0 -82.8 -12.6 32.0 39.2 26.1 250 1259 A E << - 0 0 49 -3,-1.3 2,-0.5 -4,-0.8 -3,-0.0 -0.510 68.9-133.3 -82.6 143.3 34.5 37.2 24.1 251 1260 A R + 0 0 177 -2,-0.2 -30,-0.1 1,-0.1 -2,-0.1 -0.775 27.1 172.5 -82.7 129.5 35.1 33.5 24.1 252 1261 A Y - 0 0 73 -2,-0.5 4,-0.2 -31,-0.1 11,-0.1 0.449 33.0-137.7-120.2 -7.9 38.8 32.9 24.4 253 1262 A Y > - 0 0 135 1,-0.1 3,-2.6 2,-0.1 6,-0.2 0.858 22.0-152.4 57.8 44.8 38.7 29.0 24.8 254 1263 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.1 8,-0.1 3,-0.1 -0.152 79.2 18.7 -53.2 139.8 41.3 28.8 27.5 255 1264 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 -248,-0.1 2,-0.2 0.331 104.6 119.3 77.6 -7.7 43.2 25.5 27.5 256 1265 A G S X S- 0 0 31 -3,-2.6 3,-2.3 -4,-0.2 -1,-0.3 -0.530 80.3 -76.2 -89.2 155.4 42.0 25.0 24.0 257 1266 A Y T 3 S+ 0 0 178 1,-0.3 -1,-0.1 -2,-0.2 -137,-0.0 -0.226 118.4 10.2 -51.8 122.8 44.1 24.6 20.8 258 1267 A G T 3 S+ 0 0 20 -3,-0.1 4,-0.3 -40,-0.0 -1,-0.3 0.446 97.3 106.9 88.1 3.0 45.5 28.0 19.8 259 1268 A S <> + 0 0 3 -3,-2.3 4,-2.7 -6,-0.2 5,-0.2 0.425 40.2 103.2 -94.7 -0.5 44.5 29.9 23.0 260 1269 A T H > S+ 0 0 8 -141,-0.3 4,-2.5 1,-0.2 5,-0.2 0.915 87.6 37.4 -57.3 -52.1 47.8 30.5 24.8 261 1270 A Q H > S+ 0 0 0 1,-0.2 4,-2.7 -3,-0.2 5,-0.3 0.905 116.7 52.3 -68.7 -39.5 48.4 34.1 23.9 262 1271 A A H > S+ 0 0 3 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.899 112.0 47.7 -57.8 -41.1 44.8 35.1 24.2 263 1272 A T H X S+ 0 0 2 -4,-2.7 4,-1.5 2,-0.2 5,-0.3 0.951 114.0 44.9 -67.3 -49.4 44.6 33.5 27.7 264 1273 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.943 119.3 41.8 -59.4 -50.2 47.8 35.2 28.9 265 1274 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.873 108.9 54.5 -74.4 -36.6 46.9 38.6 27.6 266 1275 A V H X S+ 0 0 8 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.933 114.8 41.4 -63.8 -42.1 43.2 38.8 28.4 267 1276 A F H X S+ 0 0 40 -4,-1.5 4,-2.1 -5,-0.3 5,-0.3 0.912 114.0 52.1 -73.5 -37.7 43.9 38.1 32.1 268 1277 A Q H X S+ 0 0 19 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.952 114.8 43.2 -57.5 -43.9 47.0 40.3 32.2 269 1278 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 113.9 48.5 -72.4 -43.4 45.0 43.2 30.7 270 1279 A L H X S+ 0 0 8 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.852 110.7 52.3 -69.6 -29.5 41.8 42.7 32.8 271 1280 A A H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.924 108.8 49.5 -68.2 -42.9 43.9 42.5 36.0 272 1281 A Q H X S+ 0 0 71 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.901 105.6 58.7 -62.5 -38.6 45.7 45.8 35.2 273 1282 A Y H X S+ 0 0 55 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.936 109.2 43.2 -56.9 -45.1 42.3 47.4 34.5 274 1283 A R H < S+ 0 0 75 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.8 53.0 -70.1 -29.3 41.2 46.6 38.0 275 1284 A A H < S+ 0 0 51 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.933 116.2 38.9 -62.6 -44.3 44.5 47.7 39.5 276 1285 A D H < 0 0 64 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.754 360.0 360.0 -80.0 -30.9 44.4 51.0 37.7 277 1286 A V < 0 0 116 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.470 360.0 360.0-123.4 360.0 40.7 51.9 38.1