==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-11 3TRK . COMPND 2 MOLECULE: NONSTRUCTURAL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHIKUNGUNYA VIRUS; . AUTHOR J.CHEUNG,M.FRANKLIN,F.MANCIA,M.RUDOLPH,M.CASSIDY,E.GARY,F.BU . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.3 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 . 1 0.3 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 . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 0 0 1 0 0 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 . 1 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 1004 A N 0 0 119 0, 0.0 26,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -55.8 -2.2 14.0 36.4 2 1005 A A - 0 0 66 2,-0.1 3,-0.1 3,-0.0 25,-0.1 0.895 360.0-157.8 -89.5 -46.3 -3.4 16.8 38.7 3 1006 A F > - 0 0 29 1,-0.2 3,-0.9 2,-0.1 6,-0.1 0.864 25.4-170.0 63.5 37.3 -1.8 20.0 37.4 4 1007 A Q T 3 - 0 0 138 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.365 62.6 -0.5 -64.2 132.5 -2.3 21.5 40.9 5 1008 A N T 3 S+ 0 0 144 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.912 95.4 132.9 53.0 49.9 -1.6 25.2 41.1 6 1009 A K < + 0 0 42 -3,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.969 24.5 169.4-132.5 118.5 -0.7 25.6 37.4 7 1010 A A S S+ 0 0 85 -2,-0.4 3,-0.1 34,-0.1 -1,-0.1 0.575 76.0 42.3-103.8 -12.8 -2.2 28.5 35.5 8 1011 A N S S+ 0 0 75 1,-0.1 3,-0.4 30,-0.1 36,-0.2 0.139 80.7 96.5-125.5 20.4 -0.2 28.4 32.2 9 1012 A V > + 0 0 2 1,-0.2 4,-1.8 2,-0.1 3,-0.4 -0.113 35.7 126.3-104.8 36.8 0.1 24.7 31.3 10 1013 A C H > S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.857 74.8 58.1 -57.8 -35.1 -2.7 24.5 28.9 11 1014 A W H > S+ 0 0 1 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.870 104.0 50.7 -61.5 -39.9 -0.2 23.1 26.4 12 1015 A A H >> S+ 0 0 0 -3,-0.4 3,-1.0 1,-0.2 4,-0.8 0.888 107.1 52.2 -67.4 -40.8 0.6 20.2 28.8 13 1016 A K H 3< S+ 0 0 102 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.772 104.5 58.8 -67.2 -24.8 -3.1 19.3 29.3 14 1017 A S H 3< S+ 0 0 3 -4,-1.2 4,-0.5 1,-0.2 -1,-0.3 0.677 101.6 54.9 -76.4 -18.8 -3.3 19.2 25.5 15 1018 A L H S+ 0 0 44 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.883 114.2 50.0 -60.1 -38.8 -4.6 12.6 25.1 18 1021 A I H > S+ 0 0 0 -4,-0.5 4,-0.6 1,-0.2 74,-0.4 0.874 109.9 50.0 -67.1 -38.7 -1.6 12.3 22.8 19 1022 A L H ><>S+ 0 0 4 -4,-3.0 5,-2.6 1,-0.2 3,-0.7 0.829 102.9 62.3 -67.8 -32.1 0.4 10.6 25.6 20 1023 A E H ><5S+ 0 0 82 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.2 0.866 95.6 58.5 -61.2 -38.5 -2.5 8.2 26.2 21 1024 A T H 3<5S+ 0 0 46 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.786 110.6 44.0 -62.2 -26.1 -2.1 6.8 22.7 22 1025 A A T <<5S- 0 0 0 -3,-0.7 92,-0.4 -4,-0.6 -1,-0.3 0.483 117.3-116.0 -94.6 -6.0 1.4 5.9 23.7 23 1026 A G T < 5 + 0 0 22 -3,-1.0 2,-0.4 -4,-0.5 -3,-0.2 0.585 66.7 146.0 81.1 11.3 0.3 4.6 27.0 24 1027 A I < - 0 0 3 -5,-2.6 2,-0.5 -6,-0.1 -1,-0.3 -0.694 26.6-177.0 -87.5 128.5 2.3 7.3 28.8 25 1028 A K - 0 0 101 -2,-0.4 2,-0.4 -3,-0.1 -9,-0.0 -0.900 7.0-170.3-125.9 102.5 0.8 8.7 32.1 26 1029 A L - 0 0 7 -2,-0.5 2,-0.1 4,-0.1 -7,-0.0 -0.741 6.1-154.0 -94.0 137.3 2.9 11.5 33.6 27 1030 A N > - 0 0 57 -2,-0.4 4,-2.3 -26,-0.1 5,-0.2 -0.402 38.8 -89.8 -94.4-179.3 2.2 12.9 37.1 28 1031 A D H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.885 125.2 51.4 -60.1 -41.9 3.0 16.4 38.4 29 1032 A R H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 111.7 46.8 -63.1 -41.3 6.5 15.5 39.6 30 1033 A Q H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.868 110.4 52.2 -72.5 -38.6 7.5 13.9 36.3 31 1034 A W H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 8,-0.3 0.949 112.2 47.7 -55.9 -50.2 6.1 16.8 34.2 32 1035 A S H < S+ 0 0 25 -4,-2.3 7,-0.4 1,-0.2 -2,-0.2 0.893 111.5 47.6 -61.6 -45.4 8.2 19.2 36.4 33 1036 A Q H < S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 116.8 42.9 -68.9 -34.1 11.5 17.2 36.2 34 1037 A I H < S+ 0 0 1 -4,-1.8 2,-0.6 1,-0.2 -2,-0.2 0.957 119.7 36.0 -76.4 -53.7 11.3 16.8 32.4 35 1038 A I >X - 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 3,-0.9 -0.902 60.9-161.6-111.9 113.9 10.2 20.2 31.3 36 1039 A Q H 3> S+ 0 0 43 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.809 92.7 62.6 -58.9 -31.5 11.5 23.3 33.2 37 1040 A A H 34>S+ 0 0 3 2,-0.2 5,-2.9 1,-0.2 -1,-0.3 0.831 103.3 48.4 -65.6 -33.6 8.6 25.3 31.7 38 1041 A F H X45S+ 0 0 0 -3,-0.9 3,-1.3 -7,-0.3 -2,-0.2 0.938 110.3 51.0 -69.3 -48.1 6.1 23.1 33.5 39 1042 A K H 3<5S+ 0 0 128 -4,-1.7 -2,-0.2 -7,-0.4 -1,-0.2 0.902 116.4 40.5 -54.3 -45.0 8.0 23.4 36.8 40 1043 A E T 3<5S- 0 0 102 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.395 112.8-122.9 -87.5 2.2 8.0 27.2 36.5 41 1044 A D T < 5 + 0 0 35 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.969 55.8 154.9 56.1 64.1 4.5 27.2 35.2 42 1045 A K < - 0 0 36 -5,-2.9 -1,-0.2 1,-0.1 -2,-0.0 -0.827 49.4 -88.9-123.1 158.1 5.2 29.0 31.9 43 1046 A A + 0 0 33 -2,-0.3 2,-0.3 158,-0.1 -34,-0.1 -0.255 57.9 153.3 -59.6 152.5 3.6 29.3 28.4 44 1047 A Y - 0 0 20 -36,-0.2 -33,-0.1 -6,-0.0 -34,-0.0 -0.949 42.0 -94.3-167.3 178.3 4.9 26.6 26.0 45 1048 A S > - 0 0 21 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.955 19.6-141.2-117.4 133.7 4.2 24.6 22.9 46 1049 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.902 103.4 49.7 -54.4 -49.8 2.7 21.0 22.9 47 1050 A E H > S+ 0 0 52 2,-0.2 4,-1.3 1,-0.2 15,-0.1 0.911 112.0 48.7 -58.8 -45.0 4.9 19.8 20.0 48 1051 A V H > S+ 0 0 7 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.933 114.0 45.4 -59.8 -48.7 8.0 21.2 21.7 49 1052 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.881 107.6 58.3 -61.9 -40.2 7.1 19.6 25.0 50 1053 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.793 101.5 57.4 -61.4 -28.5 6.2 16.3 23.3 51 1054 A N H X S+ 0 0 4 -4,-1.3 4,-1.7 -3,-0.5 -1,-0.2 0.904 107.8 45.1 -68.5 -42.6 9.8 16.2 21.9 52 1055 A E H X S+ 0 0 11 -4,-1.2 4,-2.3 -3,-0.2 -2,-0.2 0.888 114.5 48.8 -66.9 -41.3 11.3 16.4 25.4 53 1056 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.877 111.0 49.5 -68.3 -39.2 8.9 13.7 26.7 54 1057 A C H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 6,-1.0 0.870 111.9 50.4 -65.4 -36.9 9.6 11.4 23.8 55 1058 A T H X S+ 0 0 4 -4,-1.7 4,-1.5 4,-0.2 -2,-0.2 0.916 115.9 40.0 -68.0 -45.0 13.3 11.9 24.4 56 1059 A R H < S+ 0 0 5 -4,-2.3 -2,-0.2 2,-0.2 72,-0.2 0.920 122.2 39.8 -71.1 -46.0 13.1 11.1 28.1 57 1060 A X H < S+ 0 0 2 -4,-2.6 60,-3.1 -5,-0.2 -2,-0.2 0.822 133.9 19.7 -75.3 -31.9 10.6 8.2 27.9 58 1061 A Y H < S- 0 0 8 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.596 93.9-122.6-117.8 -17.0 11.9 6.6 24.8 59 1062 A G S < S+ 0 0 3 -4,-1.5 77,-2.7 -5,-0.5 78,-0.4 0.546 85.7 84.5 82.1 6.5 15.5 7.8 24.4 60 1063 A V S S- 0 0 5 -6,-1.0 -2,-0.3 75,-0.3 -1,-0.3 -0.971 72.4-125.8-137.5 152.9 14.7 9.1 20.9 61 1064 A D > - 0 0 0 -2,-0.3 3,-2.0 -3,-0.1 5,-0.4 -0.290 42.9 -81.9 -93.0-178.9 13.2 12.4 19.7 62 1065 A L G > S+ 0 0 14 1,-0.3 3,-2.1 2,-0.2 5,-0.3 0.694 117.2 76.7 -56.8 -21.7 10.2 13.1 17.4 63 1066 A D G 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.1 -12,-0.0 0.501 79.6 72.2 -72.4 -0.4 12.3 12.5 14.3 64 1067 A S G < S- 0 0 24 -3,-2.0 -1,-0.3 74,-0.0 -2,-0.2 0.559 108.5-124.0 -84.7 -10.7 11.9 8.8 15.0 65 1068 A G X + 0 0 16 -3,-2.1 3,-1.5 -4,-0.2 31,-0.3 0.557 68.3 137.2 80.9 10.4 8.3 9.1 13.9 66 1069 A L T 3 S+ 0 0 0 -5,-0.4 27,-2.4 1,-0.3 3,-0.1 0.760 82.1 27.4 -60.9 -26.4 7.0 7.7 17.2 67 1070 A F T 3 S+ 0 0 3 -5,-0.3 24,-1.0 25,-0.2 -1,-0.3 0.043 88.5 107.0-123.1 25.9 4.3 10.3 17.4 68 1071 A S B < +a 91 0A 66 -3,-1.5 24,-0.1 22,-0.2 -2,-0.1 0.490 49.5 106.5 -86.5 -3.4 3.8 11.1 13.7 69 1072 A K S S- 0 0 89 22,-1.7 2,-1.4 -4,-0.2 3,-0.4 -0.686 76.7-125.0 -82.7 119.9 0.4 9.2 13.5 70 1073 A P + 0 0 82 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.455 66.6 123.1 -68.1 87.9 -2.5 11.7 13.3 71 1074 A L + 0 0 85 19,-2.2 2,-0.4 -2,-1.4 20,-0.2 0.691 68.9 31.2-115.3 -36.1 -4.7 10.6 16.2 72 1075 A V E S-B 90 0B 23 18,-3.0 18,-2.7 -3,-0.4 -1,-0.3 -0.993 70.6-140.8-132.4 133.6 -5.1 13.8 18.3 73 1076 A S E -B 89 0B 8 -2,-0.4 2,-0.5 10,-0.3 16,-0.2 -0.632 3.3-155.6 -91.9 146.3 -5.1 17.4 17.3 74 1077 A V E -B 88 0B 5 14,-2.2 14,-0.7 -2,-0.3 2,-0.4 -0.975 16.0-162.0-120.8 116.5 -3.5 20.3 19.1 75 1078 A Y E -C 82 0C 75 7,-2.5 7,-1.8 -2,-0.5 2,-0.5 -0.830 3.7-160.8-107.2 133.0 -5.2 23.7 18.3 76 1079 A Y E +C 81 0C 115 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.939 25.8 138.5-116.4 131.0 -3.6 27.1 19.0 77 1080 A A + 0 0 23 3,-1.9 -2,-0.0 -2,-0.5 0, 0.0 -0.861 65.3 2.0-169.3 131.9 -5.6 30.3 19.2 78 1081 A D S S- 0 0 149 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.911 127.5 -53.9 57.9 47.8 -5.5 33.5 21.4 79 1082 A N S S+ 0 0 112 1,-0.2 2,-0.3 123,-0.0 -1,-0.2 0.928 117.0 106.3 53.7 51.4 -2.5 32.3 23.4 80 1083 A H - 0 0 86 -70,-0.1 -3,-1.9 -37,-0.0 2,-0.4 -0.932 54.8-149.2-162.8 132.8 -4.2 29.0 24.3 81 1084 A W E +C 76 0C 45 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.846 29.1 143.1-105.9 140.8 -3.9 25.4 23.4 82 1085 A D E -C 75 0C 27 -7,-1.8 -7,-2.5 -2,-0.4 -68,-0.0 -0.799 55.3 -90.0-151.2-162.3 -6.6 22.8 23.4 83 1086 A N + 0 0 67 -2,-0.2 -10,-0.3 -9,-0.2 -9,-0.1 -0.151 61.3 141.6-118.4 40.3 -7.8 19.8 21.4 84 1087 A R - 0 0 123 1,-0.1 3,-0.5 -9,-0.1 -2,-0.1 -0.494 58.0-103.9 -71.7 147.9 -10.1 21.1 18.7 85 1088 A P S S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.390 98.3 62.1 -65.6 153.3 -9.9 19.5 15.2 86 1089 A G S S+ 0 0 75 1,-0.4 2,-0.2 -3,-0.1 3,-0.1 0.490 84.3 96.4 106.1 7.9 -8.0 21.5 12.6 87 1090 A G S S- 0 0 21 -3,-0.5 -1,-0.4 1,-0.1 -12,-0.2 -0.665 88.7 -58.2-117.4 175.8 -4.6 21.6 14.2 88 1091 A K E -B 74 0B 108 -14,-0.7 -14,-2.2 -2,-0.2 2,-0.4 -0.289 58.9-142.2 -52.2 133.0 -1.4 19.7 14.0 89 1092 A X E +B 73 0B 84 -16,-0.2 -16,-0.2 -21,-0.1 2,-0.2 -0.875 23.7 172.4-110.6 136.0 -2.1 16.0 14.8 90 1093 A F E +B 72 0B 15 -18,-2.7 -18,-3.0 -2,-0.4 -19,-2.2 -0.741 7.3 146.4-126.1 177.4 0.1 13.6 16.8 91 1094 A G B -a 68 0A 0 -24,-1.0 -22,-1.7 -2,-0.2 -72,-0.1 -0.656 54.3 -65.4 156.1 147.3 -0.3 10.1 18.1 92 1095 A F - 0 0 13 -74,-0.4 -25,-0.2 -2,-0.2 -26,-0.1 -0.201 45.0-148.4 -54.5 136.7 1.7 6.9 18.8 93 1096 A N >> - 0 0 21 -27,-2.4 4,-2.0 1,-0.2 3,-0.5 -0.846 16.7-175.9-117.3 95.4 3.0 5.3 15.6 94 1097 A P H 3> S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.850 88.3 57.8 -55.1 -38.1 3.2 1.5 15.8 95 1098 A E H 3> S+ 0 0 148 1,-0.2 4,-1.4 2,-0.2 -29,-0.1 0.894 108.4 45.6 -60.2 -41.3 4.8 1.5 12.3 96 1099 A A H <> S+ 0 0 10 -3,-0.5 4,-1.7 -31,-0.3 -1,-0.2 0.850 110.0 54.9 -70.4 -35.2 7.5 3.7 13.6 97 1100 A A H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.881 103.3 55.7 -65.1 -39.5 8.0 1.6 16.7 98 1101 A S H X S+ 0 0 66 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.925 105.7 51.4 -58.7 -46.7 8.5 -1.5 14.6 99 1102 A I H >X S+ 0 0 79 -4,-1.4 3,-1.7 1,-0.2 4,-0.7 0.926 107.2 53.1 -55.2 -48.2 11.4 0.2 12.7 100 1103 A L H 3X S+ 0 0 20 -4,-1.7 4,-2.3 1,-0.3 3,-0.3 0.801 96.8 68.2 -57.9 -31.0 13.1 1.1 15.9 101 1104 A E H 3< S+ 0 0 46 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.695 88.2 66.9 -66.8 -19.1 12.9 -2.5 17.0 102 1105 A R H << S+ 0 0 186 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.973 112.9 28.6 -62.6 -55.3 15.4 -3.5 14.4 103 1106 A K H < S+ 0 0 169 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.800 133.8 36.8 -75.9 -29.4 18.2 -1.5 16.0 104 1107 A Y >< + 0 0 48 -4,-2.3 3,-1.7 1,-0.1 -1,-0.3 -0.670 63.5 168.6-129.2 77.3 16.8 -2.0 19.5 105 1108 A P G > S+ 0 0 87 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.761 71.8 70.4 -58.4 -31.0 15.2 -5.4 19.8 106 1109 A F G 3 S+ 0 0 56 1,-0.3 -5,-0.1 13,-0.0 -2,-0.0 0.624 89.6 63.2 -67.7 -12.6 14.9 -5.1 23.6 107 1110 A T G X S+ 0 0 2 -3,-1.7 3,-2.4 -7,-0.1 -1,-0.3 0.632 71.0 129.5 -85.1 -15.2 12.1 -2.5 23.2 108 1111 A K T < S- 0 0 143 -3,-1.6 -10,-0.0 1,-0.3 -11,-0.0 -0.154 84.7 -4.1 -50.5 120.6 9.7 -4.9 21.4 109 1112 A G T 3 S+ 0 0 61 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.643 111.0 96.3 73.9 16.7 6.3 -4.8 23.1 110 1113 A K X + 0 0 90 -3,-2.4 3,-0.6 1,-0.1 5,-0.3 0.225 52.4 94.5-117.9 11.2 7.4 -2.4 25.8 111 1114 A W T 3 S+ 0 0 12 -4,-0.2 3,-0.3 1,-0.2 4,-0.1 0.832 85.5 41.5 -75.3 -34.0 6.3 0.9 24.2 112 1115 A N T 3 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.1 -89,-0.1 -0.180 83.0 92.1-116.8 40.2 2.9 1.3 25.8 113 1116 A I S < S- 0 0 85 -3,-0.6 -1,-0.2 2,-0.2 -90,-0.1 0.081 97.5-108.2-117.9 22.1 3.3 0.3 29.5 114 1117 A N S S+ 0 0 54 -92,-0.4 2,-0.3 -3,-0.3 13,-0.3 0.813 77.8 132.9 56.1 33.3 4.0 3.8 30.9 115 1118 A K - 0 0 62 -5,-0.3 2,-0.4 11,-0.1 -1,-0.2 -0.850 61.3-113.8-114.0 151.0 7.6 2.7 31.5 116 1119 A Q E -D 125 0D 8 9,-2.6 9,-1.0 -2,-0.3 2,-0.6 -0.678 28.1-148.2 -82.1 133.1 10.9 4.6 30.6 117 1120 A I E +D 124 0D 0 -60,-3.1 2,-0.6 -2,-0.4 7,-0.2 -0.894 17.9 178.1-110.3 111.0 13.0 2.8 28.0 118 1121 A C E > +D 123 0D 14 5,-2.2 5,-1.8 -2,-0.6 -59,-0.1 -0.938 12.7 177.8-114.4 114.1 16.7 3.1 28.2 119 1122 A V T > 5S+ 0 0 27 -2,-0.6 3,-0.7 3,-0.2 -1,-0.1 0.739 77.8 70.1 -82.2 -25.2 18.8 1.2 25.6 120 1123 A T T 3 5S+ 0 0 114 1,-0.3 2,-1.0 3,-0.1 -1,-0.1 0.986 120.3 15.1 -51.2 -77.4 22.0 2.6 27.0 121 1124 A T T 3 5S- 0 0 83 2,-0.1 2,-0.8 1,-0.0 -1,-0.3 -0.826 105.0-123.1 -95.6 90.6 21.8 0.6 30.2 122 1125 A R T < 5 + 0 0 184 -2,-1.0 2,-0.3 -3,-0.7 -3,-0.2 -0.031 61.4 140.1 -42.3 82.6 19.1 -1.8 28.9 123 1126 A R E < -D 118 0D 167 -5,-1.8 -5,-2.2 -2,-0.8 2,-0.5 -0.965 42.6-160.5-132.5 145.9 16.6 -1.1 31.6 124 1127 A I E +D 117 0D 42 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.2 -0.856 41.9 129.6-126.3 95.9 12.8 -0.7 31.7 125 1128 A E E -D 116 0D 122 -9,-1.0 -9,-2.6 -2,-0.5 3,-0.2 -0.798 61.3 -65.1-136.4 175.6 11.7 1.0 34.9 126 1129 A D S S- 0 0 101 -2,-0.2 -1,-0.1 -11,-0.2 -11,-0.1 -0.200 82.5 -58.5 -60.2 159.3 9.6 4.0 36.1 127 1130 A F - 0 0 14 -13,-0.3 -1,-0.2 1,-0.1 -70,-0.1 -0.113 54.6-163.8 -47.7 123.4 10.7 7.5 35.0 128 1131 A N > - 0 0 66 -3,-0.2 3,-2.2 -72,-0.2 -1,-0.1 -0.967 17.5-141.6-114.2 123.1 14.3 8.3 36.2 129 1132 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.643 101.3 46.8 -55.2 -21.9 15.3 12.0 36.1 130 1133 A T T 3 S+ 0 0 109 94,-0.0 3,-0.4 -74,-0.0 2,-0.3 0.320 93.2 101.8-105.3 7.4 18.9 11.1 34.9 131 1134 A T S < S+ 0 0 26 -3,-2.2 -72,-0.1 1,-0.2 -14,-0.1 -0.688 82.2 4.0 -99.3 143.8 17.9 8.7 32.2 132 1135 A N + 0 0 14 -2,-0.3 -73,-0.2 -74,-0.1 -1,-0.2 0.913 68.4 156.6 56.2 52.3 17.7 9.3 28.4 133 1136 A I + 0 0 23 -3,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.923 64.2 40.8 -71.7 -45.6 19.1 12.9 28.4 134 1137 A I S S- 0 0 62 -78,-0.1 -1,-0.2 -79,-0.1 2,-0.1 -0.905 90.5-115.1-112.7 132.2 20.3 12.8 24.8 135 1138 A P - 0 0 5 0, 0.0 -75,-0.3 0, 0.0 -80,-0.1 -0.415 16.3-155.3 -65.4 131.6 18.4 11.2 21.9 136 1139 A V S S+ 0 0 73 -77,-2.7 -76,-0.2 1,-0.2 -77,-0.0 0.749 89.9 56.1 -81.0 -25.1 20.2 8.2 20.4 137 1140 A N S S+ 0 0 54 -78,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.781 91.8 84.8 -76.4 -27.4 18.6 8.5 16.9 138 1141 A R - 0 0 34 -3,-0.1 2,-0.7 1,-0.0 -74,-0.0 -0.644 69.1-144.5 -88.1 126.2 19.7 12.1 16.3 139 1142 A R - 0 0 222 -2,-0.4 -3,-0.1 1,-0.0 -2,-0.1 -0.797 31.3-119.2 -84.9 114.4 23.1 12.9 14.9 140 1143 A L - 0 0 60 -2,-0.7 122,-0.1 1,-0.1 123,-0.1 -0.294 9.6-141.3 -57.6 131.0 24.2 16.2 16.6 141 1144 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.717 83.3 6.5 -65.5 -23.6 24.7 19.0 14.1 142 1145 A H S S- 0 0 5 175,-0.1 173,-0.1 120,-0.1 176,-0.1 -0.984 91.4 -80.2-156.7 160.3 27.8 20.1 16.1 143 1146 A S - 0 0 60 -2,-0.3 2,-0.3 171,-0.3 178,-0.1 -0.287 38.6-152.3 -63.9 145.9 30.0 19.1 19.0 144 1147 A L - 0 0 31 177,-0.2 2,-0.2 116,-0.0 148,-0.1 -0.817 24.3-102.8-112.0 158.5 28.8 19.8 22.6 145 1148 A V - 0 0 15 -2,-0.3 81,-0.5 1,-0.1 82,-0.2 -0.556 20.1-141.3 -79.2 147.3 31.0 20.3 25.6 146 1149 A A S S+ 0 0 99 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.842 86.0 24.8 -77.7 -34.5 31.4 17.3 28.0 147 1150 A E S S- 0 0 157 78,-0.1 -1,-0.3 79,-0.0 78,-0.1 -0.991 82.9-120.5-137.5 126.7 31.3 19.4 31.2 148 1151 A H - 0 0 54 -2,-0.4 76,-0.0 76,-0.2 142,-0.0 -0.313 34.1-178.3 -62.4 146.3 29.8 22.8 31.8 149 1152 A R - 0 0 137 2,-0.0 142,-2.3 -2,-0.0 143,-0.2 -0.930 26.0-123.8-155.3 122.4 32.2 25.5 32.9 150 1153 A P B -E 290 0E 88 0, 0.0 2,-0.4 0, 0.0 140,-0.3 -0.354 28.7-161.2 -61.6 143.8 31.8 29.2 33.9 151 1154 A V - 0 0 36 138,-2.1 2,-0.6 -2,-0.0 -2,-0.0 -0.989 11.5-148.7-136.1 126.4 34.0 31.6 31.9 152 1155 A K + 0 0 187 -2,-0.4 2,-0.2 1,-0.0 137,-0.1 -0.824 38.6 143.2 -93.1 124.1 34.9 35.2 32.7 153 1156 A G - 0 0 52 -2,-0.6 134,-0.2 1,-0.2 2,-0.1 -0.534 45.9 -51.7-139.2-156.6 35.4 37.4 29.7 154 1157 A E - 0 0 92 132,-1.8 -1,-0.2 -2,-0.2 0, 0.0 -0.332 61.5 -87.1 -87.3 169.2 34.9 40.8 28.2 155 1158 A R > - 0 0 141 1,-0.1 3,-0.7 -2,-0.1 4,-0.2 -0.181 33.6-112.2 -71.6 167.9 31.7 42.9 28.1 156 1159 A X T >> S+ 0 0 11 1,-0.2 3,-2.6 2,-0.1 4,-2.1 0.815 104.1 78.6 -69.1 -33.3 29.0 42.7 25.5 157 1160 A E H 3> S+ 0 0 22 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.770 85.8 60.1 -48.9 -33.4 29.7 46.2 24.1 158 1161 A W H <4 S+ 0 0 117 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.623 111.2 39.8 -78.6 -12.5 32.8 45.0 22.2 159 1162 A L H <4 S+ 0 0 21 -3,-2.6 4,-0.4 -4,-0.2 3,-0.3 0.770 118.9 46.1 -94.3 -39.0 30.6 42.6 20.2 160 1163 A V H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.851 105.7 57.5 -75.5 -36.3 27.7 44.9 19.7 161 1164 A N T 3< S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.694 103.8 55.8 -69.1 -17.9 29.7 48.0 18.8 162 1165 A K T 3 S+ 0 0 146 -3,-0.3 2,-0.5 -5,-0.2 -1,-0.3 0.611 89.9 90.4 -87.1 -15.1 31.2 46.0 15.8 163 1166 A I S < S- 0 0 12 -3,-1.0 2,-0.1 -4,-0.4 90,-0.0 -0.719 82.6-120.2 -87.9 127.5 27.7 45.2 14.5 164 1167 A N + 0 0 142 -2,-0.5 89,-0.1 88,-0.0 -2,-0.1 -0.357 68.9 87.8 -66.6 143.0 26.3 47.7 11.9 165 1168 A G - 0 0 8 87,-0.1 -2,-0.1 48,-0.1 48,-0.1 0.129 49.0-155.1 129.1 114.7 23.0 49.3 12.8 166 1169 A H S S+ 0 0 99 15,-0.1 16,-2.3 1,-0.1 2,-0.6 0.961 79.9 65.1 -79.4 -55.9 22.3 52.5 14.8 167 1170 A H E S-f 182 0F 71 14,-0.2 46,-2.0 16,-0.1 45,-1.4 -0.608 74.2-171.1 -75.2 117.3 18.8 52.0 16.2 168 1171 A V E -fg 183 213F 0 14,-2.5 16,-2.6 -2,-0.6 2,-0.6 -0.921 22.7-156.7-120.5 133.9 19.0 49.0 18.6 169 1172 A L E -fg 184 214F 0 44,-2.7 46,-3.2 -2,-0.4 2,-0.7 -0.935 16.7-161.6-103.3 117.7 16.3 47.0 20.4 170 1173 A L E -fg 185 215F 0 14,-2.7 16,-3.1 -2,-0.6 2,-0.9 -0.869 9.6-172.4-106.3 108.8 17.8 45.4 23.5 171 1174 A V E +fg 186 216F 0 44,-2.7 46,-3.5 -2,-0.7 2,-0.3 -0.835 39.2 124.6 -96.5 99.8 15.8 42.5 24.9 172 1175 A S E - g 0 217F 0 14,-1.9 46,-0.2 -2,-0.9 -2,-0.1 -0.986 69.4-124.8-154.5 158.1 17.6 41.7 28.2 173 1176 A G S S+ 0 0 37 44,-0.6 2,-0.3 -2,-0.3 14,-0.1 0.567 102.6 33.3 -79.9 -10.3 17.1 41.4 32.0 174 1177 A Y S S- 0 0 92 43,-0.2 2,-0.1 17,-0.1 43,-0.1 -0.969 88.5-105.1-144.7 158.2 19.8 44.0 32.4 175 1178 A N - 0 0 84 -2,-0.3 2,-0.3 10,-0.1 -2,-0.0 -0.441 23.7-148.6 -88.1 157.1 21.0 47.1 30.5 176 1179 A L - 0 0 21 -2,-0.1 2,-1.3 -20,-0.1 7,-0.1 -0.945 19.7-121.6-125.1 146.2 24.1 47.5 28.3 177 1180 A A + 0 0 69 -2,-0.3 -20,-0.0 1,-0.1 -2,-0.0 -0.671 41.5 162.6 -89.6 88.2 26.3 50.6 27.8 178 1181 A L > + 0 0 13 -2,-1.3 3,-1.2 1,-0.2 5,-0.2 -0.729 5.5 170.1-110.7 82.4 26.1 51.1 24.0 179 1182 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.881 76.3 52.6 -59.5 -46.2 27.2 54.7 23.4 180 1183 A T T 3 S+ 0 0 87 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 0.528 107.3 69.4 -72.1 -4.3 27.5 54.5 19.6 181 1184 A K S < S- 0 0 29 -3,-1.2 2,-0.7 -14,-0.0 -14,-0.2 -0.731 78.6-129.2-113.0 159.9 23.9 53.1 19.5 182 1185 A R E -f 167 0F 161 -16,-2.3 -14,-2.5 -2,-0.3 2,-0.3 -0.905 42.4-158.6-103.6 101.2 20.5 54.5 20.1 183 1186 A V E -f 168 0F 39 -2,-0.7 2,-0.6 -5,-0.2 -14,-0.2 -0.649 25.1-169.8 -97.7 134.8 19.1 51.8 22.5 184 1187 A T E -f 169 0F 23 -16,-2.6 -14,-2.7 -2,-0.3 2,-0.6 -0.953 21.4-154.6-114.4 108.3 15.6 50.8 23.4 185 1188 A W E -f 170 0F 17 -2,-0.6 11,-2.1 -16,-0.2 10,-1.4 -0.740 11.5-172.6 -93.7 119.9 15.7 48.5 26.3 186 1189 A V E +fh 171 196F 0 -16,-3.1 -14,-1.9 -2,-0.6 11,-0.2 -0.940 12.1 177.8-108.7 129.9 12.9 46.0 26.9 187 1190 A A E - h 0 197F 0 9,-2.7 11,-2.1 -2,-0.5 -14,-0.2 -0.830 34.0 -86.8-127.5 163.4 13.0 43.9 30.1 188 1191 A P E > - h 0 198F 43 0, 0.0 3,-1.7 0, 0.0 11,-0.2 -0.203 65.5 -73.0 -61.6 161.4 10.8 41.3 31.8 189 1192 A L T 3 S+ 0 0 115 9,-0.5 3,-0.1 1,-0.2 9,-0.0 -0.299 120.4 30.6 -56.2 137.5 7.9 42.5 34.0 190 1193 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.100 85.3 125.5 101.9 -21.9 9.2 44.0 37.3 191 1194 A V < - 0 0 43 -3,-1.7 2,-0.4 1,-0.0 -1,-0.3 -0.511 49.4-144.3 -75.5 137.8 12.5 45.3 36.1 192 1195 A R S S+ 0 0 216 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.810 72.4 31.1-106.0 142.4 13.2 49.0 36.7 193 1196 A G S S+ 0 0 69 1,-0.4 -1,-0.2 -2,-0.4 -8,-0.1 0.191 84.8 121.4 103.5 -15.5 15.0 51.4 34.5 194 1197 A A - 0 0 22 -3,-0.2 -1,-0.4 1,-0.1 -8,-0.2 -0.370 67.7-127.3 -79.6 159.3 14.1 49.9 31.1 195 1198 A D S S+ 0 0 89 -10,-1.4 2,-0.3 1,-0.3 -9,-0.2 0.881 93.6 10.8 -71.6 -39.7 12.2 51.7 28.4 196 1199 A Y E -h 186 0F 114 -11,-2.1 -9,-2.7 2,-0.0 2,-0.4 -0.999 64.0-156.4-141.8 142.9 9.5 49.0 28.2 197 1200 A T E +h 187 0F 56 -2,-0.3 2,-0.3 -11,-0.2 -8,-0.1 -0.977 22.1 163.8-119.5 131.9 8.6 45.9 30.3 198 1201 A Y E -h 188 0F 75 -11,-2.1 2,-1.3 -2,-0.4 -9,-0.5 -0.958 48.9 -99.0-140.0 158.6 6.7 42.9 28.9 199 1202 A N > - 0 0 59 -2,-0.3 3,-2.3 -11,-0.2 -2,-0.0 -0.677 35.0-164.3 -76.5 95.7 6.0 39.3 29.8 200 1203 A L G > S+ 0 0 22 -2,-1.3 3,-1.1 1,-0.3 -1,-0.2 0.544 80.9 76.5 -65.8 -5.1 8.7 37.8 27.6 201 1204 A E G 3 S+ 0 0 76 1,-0.2 -1,-0.3 38,-0.1 3,-0.1 0.436 95.9 50.1 -82.5 1.2 6.9 34.4 28.0 202 1205 A L G < S- 0 0 95 -3,-2.3 -1,-0.2 1,-0.5 -2,-0.2 0.095 114.5-123.6-117.9 16.4 4.4 35.8 25.5 203 1206 A G < - 0 0 2 -3,-1.1 -1,-0.5 -5,-0.1 37,-0.2 -0.375 46.4 -43.6 76.2-154.2 7.1 36.9 23.0 204 1207 A L - 0 0 10 35,-0.4 2,-0.3 -3,-0.1 -4,-0.0 -0.941 52.0-122.4-118.5 135.7 7.6 40.4 21.8 205 1208 A P > - 0 0 37 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.588 12.4-136.9 -77.1 135.5 4.8 42.8 20.6 206 1209 A A G > S+ 0 0 63 -2,-0.3 3,-1.4 1,-0.3 -2,-0.0 0.595 96.9 82.1 -64.8 -9.5 5.1 44.1 17.1 207 1210 A T G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.500 71.0 81.2 -74.4 -2.6 4.1 47.5 18.5 208 1211 A L G < S- 0 0 14 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.746 96.5-136.9 -72.4 -23.7 7.7 47.9 19.5 209 1212 A G < - 0 0 32 -3,-1.4 2,-0.4 -4,-0.1 -1,-0.2 -0.435 24.9 -57.7 97.0-173.0 8.5 48.9 15.9 210 1213 A R - 0 0 130 -2,-0.1 38,-0.3 -3,-0.1 2,-0.3 -0.899 50.6-172.2-114.3 142.6 11.3 48.0 13.6 211 1214 A Y E - i 0 248F 23 36,-2.4 38,-2.6 -2,-0.4 3,-0.2 -0.784 35.5-122.1-128.9 168.0 15.0 48.5 14.3 212 1215 A D E S+ 0 0 35 -45,-1.4 41,-2.5 1,-0.3 2,-0.4 0.828 103.0 20.2 -76.6 -33.9 18.4 48.3 12.6 213 1216 A L E -gi 168 253F 0 -46,-2.0 -44,-2.7 39,-0.2 2,-0.6 -0.973 64.4-163.4-143.4 122.8 19.7 45.8 15.2 214 1217 A V E -gi 169 254F 0 39,-2.5 41,-2.7 -2,-0.4 2,-0.7 -0.930 9.6-164.8-107.8 118.7 17.7 43.5 17.5 215 1218 A V E -gi 170 255F 1 -46,-3.2 -44,-2.7 -2,-0.6 2,-0.7 -0.875 3.3-164.4-108.0 105.7 19.7 42.0 20.4 216 1219 A I E +gi 171 256F 8 39,-3.3 41,-2.8 -2,-0.7 -44,-0.2 -0.793 16.1 169.7 -87.4 113.5 18.1 39.1 22.2 217 1220 A N E +g 172 0F 1 -46,-3.5 -44,-0.6 -2,-0.7 2,-0.5 -0.330 17.9 137.5-125.9 50.6 20.0 38.8 25.5 218 1221 A I - 0 0 26 39,-0.2 2,-0.2 -46,-0.2 -46,-0.1 -0.860 40.8-142.5-102.7 128.6 18.1 36.3 27.7 219 1222 A H - 0 0 66 -2,-0.5 -2,-0.0 39,-0.0 39,-0.0 -0.546 4.0-152.7 -86.0 150.9 20.1 33.7 29.6 220 1223 A T - 0 0 4 -2,-0.2 13,-0.1 38,-0.1 12,-0.1 -0.974 26.1-118.4-124.2 117.2 19.0 30.1 30.2 221 1224 A P - 0 0 101 0, 0.0 2,-0.2 0, 0.0 11,-0.1 -0.129 33.2-106.9 -51.5 142.7 20.3 28.4 33.4 222 1225 A F - 0 0 65 2,-0.1 2,-0.3 10,-0.0 4,-0.1 -0.488 39.9-177.9 -74.0 143.4 22.5 25.3 32.8 223 1226 A R - 0 0 39 2,-0.4 2,-2.7 -2,-0.2 5,-0.2 -0.939 53.0 -42.6-149.5 120.5 20.9 21.9 33.7 224 1227 A I S S+ 0 0 90 -2,-0.3 2,-0.3 4,-0.1 -76,-0.2 -0.312 117.0 4.0 69.3 -69.8 22.3 18.4 33.5 225 1228 A H S >> S- 0 0 44 -2,-2.7 4,-1.6 1,-0.1 3,-0.6 -0.969 73.6-104.1-148.7 159.1 24.2 18.6 30.2 226 1229 A H H 3> S+ 0 0 2 -81,-0.5 4,-1.6 -2,-0.3 3,-0.2 0.876 121.5 54.4 -50.9 -42.4 25.1 21.0 27.4 227 1230 A Y H 3> S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.888 104.4 54.4 -59.0 -40.4 22.4 19.4 25.2 228 1231 A Q H <> S+ 0 0 3 -3,-0.6 4,-3.3 1,-0.2 -1,-0.2 0.837 102.9 56.3 -65.9 -33.5 19.8 20.0 27.9 229 1232 A Q H X S+ 0 0 6 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.892 106.5 49.5 -65.9 -40.0 20.6 23.7 28.0 230 1233 A C H X S+ 0 0 2 -4,-1.6 4,-1.2 2,-0.2 3,-0.5 0.934 112.6 49.3 -60.2 -46.3 19.9 23.9 24.3 231 1234 A V H >X S+ 0 0 10 -4,-2.1 3,-1.2 1,-0.2 4,-0.6 0.966 110.6 47.8 -55.1 -56.7 16.6 22.2 25.0 232 1235 A D H 3< S+ 0 0 16 -4,-3.3 -1,-0.2 1,-0.3 4,-0.2 0.687 116.5 46.4 -60.3 -18.0 15.7 24.5 27.9 233 1236 A H H 3X S+ 0 0 5 -4,-1.0 4,-1.7 -3,-0.5 3,-0.4 0.585 87.7 87.7-100.4 -13.3 16.6 27.5 25.6 234 1237 A A H >S+ 0 0 47 -3,-0.4 4,-2.1 -4,-0.2 5,-1.1 0.908 107.5 51.0 -60.3 -43.5 13.1 31.3 23.8 237 1240 A L H X>S+ 0 0 2 -4,-1.7 4,-1.0 3,-0.2 5,-0.7 0.941 114.3 44.5 -56.6 -48.8 14.6 31.0 20.4 238 1241 A Q H X5S+ 0 0 84 -4,-2.5 4,-1.4 3,-0.2 5,-0.3 0.954 122.1 36.4 -59.5 -53.5 11.2 30.2 19.0 239 1242 A X H X5S+ 0 0 45 -4,-3.4 4,-1.9 2,-0.2 -35,-0.4 0.986 129.4 27.0 -68.3 -63.4 9.4 33.0 20.9 240 1243 A L H X5S+ 0 0 5 -4,-2.1 4,-1.0 -5,-0.2 -3,-0.2 0.836 124.0 50.6 -74.6 -34.2 11.8 35.9 21.0 241 1244 A G H <<< S+ 0 0 56 -4,-1.9 3,-1.2 -5,-0.3 -1,-0.2 0.760 96.7 70.6 -65.1 -25.5 8.9 37.7 17.0 244 1247 A S G >< S+ 0 0 0 -4,-1.0 3,-1.5 1,-0.2 -1,-0.3 0.722 82.5 72.7 -65.2 -21.6 12.0 39.8 16.3 245 1248 A L G X S+ 0 0 20 -3,-1.4 3,-0.9 -4,-0.4 -1,-0.2 0.810 94.0 52.4 -64.9 -30.2 11.3 39.4 12.5 246 1249 A R G < S+ 0 0 166 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.486 107.8 55.5 -80.6 -2.4 8.4 41.9 12.8 247 1250 A L G < S+ 0 0 0 -3,-1.5 -36,-2.4 -4,-0.2 2,-0.5 0.080 87.2 99.4-117.8 20.0 10.8 44.2 14.5 248 1251 A L E < -i 211 0F 1 -3,-0.9 -36,-0.2 -38,-0.3 3,-0.1 -0.937 60.2-143.7-116.3 129.5 13.5 44.4 11.9 249 1252 A K E > - 0 0 64 -38,-2.6 3,-2.4 -2,-0.5 52,-0.3 -0.410 48.4 -74.0 -76.4 160.2 14.0 47.1 9.3 250 1253 A P E 3 S+ 0 0 119 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.385 126.4 17.4 -55.0 128.4 15.2 46.2 5.8 251 1254 A G E 3 S+ 0 0 35 50,-3.3 49,-0.6 1,-0.2 51,-0.1 0.517 98.5 145.4 83.7 6.7 18.9 45.4 6.0 252 1255 A G E < - 0 0 1 -3,-2.4 49,-1.4 49,-0.4 2,-0.3 -0.187 39.6-134.4 -73.6 167.7 18.6 44.9 9.8 253 1256 A S E -i 213 0F 10 -41,-2.5 -39,-2.5 46,-0.2 2,-0.5 -0.901 4.3-147.9-126.2 155.0 20.5 42.4 11.9 254 1257 A L E -iJ 214 298F 0 44,-2.7 44,-2.7 -2,-0.3 2,-0.5 -0.959 9.9-171.7-128.6 114.8 19.5 40.0 14.6 255 1258 A L E -iJ 215 297F 0 -41,-2.7 -39,-3.3 -2,-0.5 2,-0.4 -0.914 9.6-178.0-106.6 125.3 21.9 39.0 17.5 256 1259 A I E -iJ 216 296F 3 40,-2.4 40,-2.6 -2,-0.5 2,-0.4 -0.972 23.7-137.9-130.8 121.7 20.8 36.2 19.8 257 1260 A R E + J 0 295F 4 -41,-2.8 -39,-0.2 -2,-0.4 38,-0.2 -0.621 48.4 136.9 -72.1 125.5 22.5 34.8 22.8 258 1261 A A E - J 0 294F 0 36,-2.8 36,-2.5 -2,-0.4 3,-0.1 -0.703 59.5-117.5-148.9-159.8 22.2 31.1 22.8 259 1262 A Y - 0 0 4 1,-0.6 2,-0.3 34,-0.2 3,-0.2 0.066 67.3 -88.1-141.9 20.7 24.0 27.8 23.3 260 1263 A G - 0 0 2 1,-0.1 -1,-0.6 -30,-0.1 34,-0.1 -0.715 46.4 -80.3 105.7-157.2 23.9 26.3 19.8 261 1264 A Y + 0 0 0 -2,-0.3 6,-0.2 -3,-0.1 -1,-0.1 -0.305 62.5 146.6-144.0 55.1 21.1 24.1 18.3 262 1265 A A + 0 0 0 -3,-0.2 2,-0.2 -36,-0.1 -35,-0.1 0.810 60.3 65.0 -62.5 -32.3 21.8 20.6 19.6 263 1266 A D S > S- 0 0 2 -36,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.518 89.6-114.2 -96.7 163.1 18.1 19.7 19.7 264 1267 A R H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.887 112.8 53.1 -60.4 -44.4 15.6 19.3 16.9 265 1268 A T H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 109.7 47.6 -59.2 -49.0 13.5 22.3 17.9 266 1269 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 109.7 51.7 -59.7 -46.9 16.4 24.7 18.0 267 1270 A E H X S+ 0 0 45 -4,-1.9 4,-2.1 -6,-0.2 -1,-0.2 0.848 107.1 55.4 -61.9 -34.7 17.7 23.7 14.6 268 1271 A R H X S+ 0 0 118 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.957 107.3 48.7 -59.0 -52.3 14.3 24.2 13.1 269 1272 A V H X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.905 110.9 50.2 -55.9 -46.0 14.1 27.8 14.4 270 1273 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.910 109.0 51.1 -62.2 -44.5 17.6 28.6 13.0 271 1274 A C H X S+ 0 0 27 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.934 112.3 47.3 -57.2 -48.2 16.8 27.2 9.6 272 1275 A V H < S+ 0 0 64 -4,-2.3 3,-0.4 1,-0.2 4,-0.2 0.927 115.0 45.5 -58.2 -47.8 13.6 29.3 9.5 273 1276 A L H >< S+ 0 0 3 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.864 106.3 60.9 -65.7 -37.2 15.4 32.5 10.6 274 1277 A G H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.815 92.2 63.9 -62.1 -34.2 18.3 31.9 8.2 275 1278 A R T 3< S+ 0 0 75 -4,-1.3 31,-1.9 -3,-0.4 -1,-0.3 0.618 97.5 60.2 -66.3 -11.3 16.2 32.1 5.1 276 1279 A K T < S+ 0 0 47 -3,-1.5 26,-2.2 -4,-0.2 27,-0.9 0.396 99.3 61.2-100.5 1.0 15.4 35.7 5.9 277 1280 A F E < S-K 301 0F 1 -3,-1.5 23,-0.2 24,-0.2 24,-0.2 -0.875 77.5-124.8-129.3 161.3 18.9 37.2 5.9 278 1281 A R E S+ 0 0 159 21,-1.7 2,-0.3 22,-1.3 22,-0.2 0.722 97.2 6.8 -75.8 -21.8 21.8 37.6 3.5 279 1282 A S E -K 299 0F 48 20,-1.3 20,-2.2 21,-0.1 2,-0.4 -0.990 61.3-157.9-156.9 156.0 24.1 35.7 5.9 280 1283 A S E -K 298 0F 18 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.992 14.0-176.6-142.5 132.2 24.1 33.8 9.1 281 1284 A R E -K 297 0F 128 16,-1.6 16,-2.2 -2,-0.4 2,-0.6 -0.911 23.6-142.0-130.1 153.5 26.9 33.1 11.6 282 1285 A A E -K 296 0F 8 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.961 32.0-166.3-113.7 113.7 27.6 31.2 14.8 283 1286 A L E -K 295 0F 46 12,-3.4 12,-2.5 -2,-0.6 34,-0.0 -0.784 28.5-173.9-109.3 142.2 29.9 33.3 17.0 284 1287 A K + 0 0 79 -2,-0.3 10,-0.1 10,-0.2 4,-0.1 -0.632 29.3 179.6-123.6 72.6 31.9 32.5 20.1 285 1288 A P > - 0 0 17 0, 0.0 3,-1.3 0, 0.0 -126,-0.1 -0.214 44.9-103.9 -71.7 163.2 33.2 36.0 21.0 286 1289 A P T 3 S+ 0 0 109 0, 0.0 -132,-1.8 0, 0.0 -130,-0.0 0.540 114.0 75.0 -63.1 -7.1 35.4 36.8 24.0 287 1290 A C T 3 + 0 0 8 -134,-0.2 -134,-0.1 -131,-0.1 2,-0.1 0.187 67.4 123.1 -94.7 16.5 32.3 38.2 25.7 288 1291 A V < - 0 0 10 -3,-1.3 -135,-0.1 1,-0.1 3,-0.1 -0.430 51.8-153.2 -73.7 153.2 30.8 34.8 26.5 289 1292 A T + 0 0 63 -137,-0.1 -138,-2.1 -2,-0.1 2,-0.3 0.424 69.1 23.3-107.3 -1.9 30.0 34.0 30.1 290 1293 A S B > S-E 150 0E 8 -140,-0.3 3,-0.7 1,-0.1 -1,-0.1 -0.966 78.3-100.9-157.0 173.0 30.3 30.2 29.9 291 1294 A N T 3 S+ 0 0 18 -142,-2.3 -1,-0.1 -2,-0.3 -143,-0.0 0.730 120.1 41.5 -67.3 -25.5 31.7 27.1 28.2 292 1295 A T T 3 S+ 0 0 0 -143,-0.2 -1,-0.2 -148,-0.1 2,-0.2 0.398 92.0 111.1-106.2 0.3 28.4 26.4 26.4 293 1296 A E < + 0 0 2 -3,-0.7 2,-0.3 -34,-0.0 -34,-0.2 -0.469 32.4 149.1 -88.6 149.7 27.5 29.9 25.3 294 1297 A X E -J 258 0F 0 -36,-2.5 -36,-2.8 -2,-0.2 2,-0.4 -0.924 32.7-118.2-158.3-179.0 27.5 31.4 21.8 295 1298 A F E -JK 257 283F 1 -12,-2.5 -12,-3.4 -2,-0.3 2,-0.5 -0.997 8.4-145.1-137.3 134.7 25.7 34.0 19.6 296 1299 A F E -JK 256 282F 0 -40,-2.6 -40,-2.4 -2,-0.4 2,-0.5 -0.841 16.9-168.1 -92.2 130.7 23.7 33.8 16.4 297 1300 A L E -JK 255 281F 18 -16,-2.2 -16,-1.6 -2,-0.5 2,-0.6 -0.902 4.5-174.2-123.5 104.0 24.2 36.8 14.1 298 1301 A F E -JK 254 280F 0 -44,-2.7 -44,-2.7 -2,-0.5 2,-0.3 -0.860 15.6-160.9 -96.9 123.1 21.8 37.1 11.2 299 1302 A S E + K 0 279F 27 -20,-2.2 -21,-1.7 -2,-0.6 -20,-1.3 -0.828 52.5 11.8-114.3 144.4 22.8 40.0 8.9 300 1303 A N E S- 0 0 53 -49,-0.6 -22,-1.3 -2,-0.3 2,-0.4 0.993 71.6-144.6 60.2 83.1 20.9 42.0 6.3 301 1304 A F E + K 0 277F 10 -49,-1.4 -50,-3.3 -52,-0.3 -49,-0.4 -0.642 34.4 158.6 -82.1 125.0 17.2 41.2 6.7 302 1305 A D - 0 0 66 -26,-2.2 -25,-0.2 -2,-0.4 -1,-0.1 0.219 51.9-123.5-127.3 9.8 15.1 41.1 3.5 303 1306 A N + 0 0 100 -27,-0.9 -27,-0.1 1,-0.2 -26,-0.1 0.779 65.6 142.9 53.0 30.2 12.2 39.0 4.8 304 1307 A G - 0 0 25 -28,-0.3 2,-0.3 -29,-0.1 -1,-0.2 -0.279 58.5-124.6 -95.6-179.9 12.9 36.6 2.0 305 1308 A R + 0 0 164 -3,-0.1 -29,-0.2 -29,-0.1 2,-0.1 -0.625 46.8 157.2-126.7 70.4 12.9 32.8 1.5 306 1309 A R - 0 0 77 -31,-1.9 2,-0.2 -2,-0.3 -29,-0.0 -0.315 50.4 -78.4 -87.7 173.3 16.3 31.8 0.4 307 1310 A N + 0 0 156 -2,-0.1 2,-0.3 -33,-0.0 -1,-0.1 -0.516 52.3 177.9 -69.6 137.7 18.1 28.5 0.6 308 1311 A F + 0 0 46 -2,-0.2 2,-0.3 -3,-0.1 -33,-0.1 -0.886 12.5 169.7-150.8 119.0 19.6 27.8 4.0 309 1312 A T - 0 0 88 -2,-0.3 3,-0.5 -35,-0.1 4,-0.3 -0.885 34.6-133.1-117.6 155.9 21.5 24.8 5.4 310 1313 A T S > S+ 0 0 10 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.222 76.2 109.1 -91.9 16.0 23.3 24.7 8.7 311 1314 A H H > S+ 0 0 126 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.852 80.5 44.1 -61.7 -37.5 26.4 23.1 7.2 312 1315 A V H > S+ 0 0 96 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.864 114.6 48.4 -76.8 -37.0 28.5 26.2 7.6 313 1316 A X H > S+ 0 0 2 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.790 104.6 62.2 -71.2 -27.7 27.3 26.9 11.1 314 1317 A N H X S+ 0 0 25 -4,-2.2 4,-0.9 1,-0.2 -171,-0.3 0.857 107.0 43.4 -63.7 -36.2 28.1 23.2 11.9 315 1318 A N H X S+ 0 0 118 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.841 112.5 52.9 -76.9 -34.5 31.7 23.8 11.2 316 1319 A Q H X S+ 0 0 56 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.894 111.9 44.5 -66.6 -41.2 31.8 27.1 13.1 317 1320 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.718 105.3 61.5 -79.8 -22.6 30.3 25.6 16.2 318 1321 A N H < S+ 0 0 65 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.849 107.8 45.4 -67.4 -34.6 32.6 22.5 16.1 319 1322 A A H < S+ 0 0 92 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.804 114.9 48.4 -76.2 -30.9 35.5 24.9 16.4 320 1323 A A H < 0 0 22 -4,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.876 360.0 360.0 -75.5 -39.9 33.8 26.8 19.2 321 1324 A F < 0 0 43 -4,-2.6 -3,-0.2 -178,-0.1 -177,-0.2 0.677 360.0 360.0-107.5 360.0 32.8 23.6 21.2