==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-OCT-11 3U9W . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.NIEGOWSKI,M.THUNNISSEN,F.THOLANDER,A.RINALDO-MATTHIS,A.MUR . 608 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 38 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 1 1 0 1 0 1 4 3 2 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 1 2 3 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 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 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 1003 A I 0 0 139 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.4 19.2 -13.3 10.3 2 1004 A V - 0 0 101 8,-0.1 2,-1.5 306,-0.0 306,-0.0 -0.878 360.0-144.4-119.6 128.2 18.8 -12.7 6.6 3 1005 A D > - 0 0 25 -2,-0.5 3,-1.8 1,-0.2 305,-0.0 -0.676 23.3-176.2 -83.0 95.2 21.1 -11.2 4.0 4 1006 A T T 3 S+ 0 0 31 -2,-1.5 365,-0.5 1,-0.3 -1,-0.2 0.448 76.0 60.8 -77.7 7.6 18.3 -9.6 2.0 5 1007 A C T 3 S+ 0 0 1 363,-0.1 2,-0.3 364,-0.1 -1,-0.3 0.471 96.3 70.8-106.4 -2.4 20.8 -8.4 -0.6 6 1008 A S < - 0 0 20 -3,-1.8 141,-0.1 2,-0.1 139,-0.1 -0.898 50.8-168.0-120.6 143.4 21.9 -11.9 -1.7 7 1009 A L + 0 0 36 -2,-0.3 -1,-0.1 73,-0.2 2,-0.1 0.335 61.6 103.9-102.1 -0.4 20.3 -14.7 -3.5 8 1010 A A S S- 0 0 13 1,-0.2 44,-0.2 136,-0.1 -2,-0.1 -0.304 87.9 -79.6 -79.9 166.8 22.9 -17.3 -2.6 9 1011 A S - 0 0 13 42,-2.5 -1,-0.2 1,-0.1 44,-0.1 -0.363 58.9-114.6 -57.2 137.0 22.7 -20.1 -0.1 10 1012 A P >> - 0 0 67 0, 0.0 3,-2.3 0, 0.0 4,-2.0 -0.246 23.8-100.7 -76.3 167.6 23.3 -18.6 3.3 11 1013 A A T 34 S+ 0 0 16 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.678 120.9 65.3 -61.1 -20.6 26.3 -19.3 5.6 12 1014 A S T 34 S+ 0 0 81 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.615 109.0 38.8 -77.8 -11.9 24.0 -21.6 7.6 13 1015 A V T <4 S- 0 0 25 -3,-2.3 30,-3.0 1,-0.4 31,-0.4 0.790 132.9 -19.2-102.9 -47.5 23.8 -23.9 4.6 14 1016 A C E < -A 42 0A 1 -4,-2.0 -1,-0.4 28,-0.3 2,-0.4 -0.986 56.9-146.7-160.1 159.5 27.3 -23.8 3.1 15 1017 A R E -A 41 0A 97 26,-2.2 26,-2.9 -2,-0.3 2,-0.4 -0.983 15.9-131.0-137.9 127.3 30.3 -21.6 3.3 16 1018 A T E +A 40 0A 3 -2,-0.4 24,-0.3 24,-0.2 135,-0.1 -0.622 24.4 178.5 -71.6 127.6 33.0 -20.8 0.7 17 1019 A K E + 0 0 71 22,-3.3 136,-2.2 -2,-0.4 2,-0.3 0.710 62.0 9.2-102.4 -25.1 36.4 -21.2 2.3 18 1020 A H E -Ab 39 153A 48 21,-1.2 21,-2.7 134,-0.3 2,-0.4 -0.991 54.6-153.7-157.2 144.5 38.7 -20.4 -0.7 19 1021 A L E -Ab 38 154A 2 134,-1.9 136,-2.4 -2,-0.3 2,-0.6 -0.996 3.2-168.4-117.1 130.5 38.6 -19.0 -4.2 20 1022 A H E -Ab 37 155A 54 17,-2.4 17,-2.8 -2,-0.4 2,-0.5 -0.975 15.5-168.8-112.3 110.6 41.1 -19.8 -6.8 21 1023 A L E +Ab 36 156A 9 134,-2.7 136,-2.5 -2,-0.6 2,-0.5 -0.902 13.1 178.5-102.7 124.6 40.6 -17.4 -9.7 22 1024 A R E +Ab 35 157A 106 13,-2.6 13,-2.6 -2,-0.5 2,-0.3 -0.983 25.7 152.9-122.8 115.4 42.3 -18.0 -13.0 23 1025 A C E -Ab 34 158A 8 134,-2.7 136,-2.7 -2,-0.5 2,-0.4 -0.923 38.0-142.1-144.3 162.5 41.3 -15.3 -15.5 24 1026 A S E -Ab 33 159A 30 9,-2.5 9,-2.3 -2,-0.3 2,-0.8 -0.999 18.6-137.8-127.6 137.3 42.3 -13.4 -18.5 25 1027 A V E -A 32 0A 0 134,-2.7 2,-1.0 -2,-0.4 7,-0.2 -0.818 17.4-165.3 -98.3 108.9 41.5 -9.7 -19.1 26 1028 A D E >>> +A 31 0A 38 5,-3.0 5,-1.7 -2,-0.8 4,-1.2 -0.784 12.6 177.8-101.3 95.8 40.4 -9.2 -22.7 27 1029 A F T 345S+ 0 0 35 -2,-1.0 -1,-0.2 1,-0.2 101,-0.1 0.772 79.8 63.4 -68.0 -23.4 40.4 -5.5 -23.4 28 1030 A T T 345S+ 0 0 128 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.813 120.0 23.4 -70.0 -29.7 39.4 -6.1 -27.0 29 1031 A R T <45S- 0 0 114 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.412 101.5-125.4-109.3 -8.3 36.0 -7.5 -25.8 30 1032 A R T <5 + 0 0 93 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.927 69.4 126.6 53.2 49.9 35.9 -5.8 -22.4 31 1033 A T E < -A 26 0A 3 -5,-1.7 -5,-3.0 77,-0.0 2,-0.5 -0.978 56.9-145.3-135.0 147.5 35.4 -9.2 -20.7 32 1034 A L E -A 25 0A 4 -2,-0.4 74,-2.4 -7,-0.2 2,-0.4 -0.954 29.1-175.5 -98.7 128.0 37.1 -11.1 -17.9 33 1035 A T E +AC 24 105A 39 -9,-2.3 -9,-2.5 -2,-0.5 2,-0.3 -0.960 25.7 78.8-125.2 148.3 37.1 -14.8 -18.8 34 1036 A G E -AC 23 104A 18 70,-2.4 70,-2.4 -2,-0.4 2,-0.4 -0.981 67.4 -52.2 162.6-153.0 38.2 -17.7 -16.7 35 1037 A T E -AC 22 103A 22 -13,-2.6 -13,-2.6 -2,-0.3 2,-0.5 -0.981 24.4-159.7-128.6 138.6 37.5 -20.1 -14.0 36 1038 A A E -AC 21 102A 0 66,-2.4 66,-2.9 -2,-0.4 2,-0.7 -0.986 11.9-164.0-114.4 114.5 36.5 -19.6 -10.3 37 1039 A A E -AC 20 101A 16 -17,-2.8 -17,-2.4 -2,-0.5 2,-0.6 -0.903 9.6-165.0-100.6 107.6 37.2 -22.6 -8.3 38 1040 A L E -AC 19 100A 4 62,-3.0 62,-2.7 -2,-0.7 2,-0.7 -0.887 13.4-150.7 -97.1 125.2 35.3 -22.4 -5.0 39 1041 A T E -AC 18 99A 28 -21,-2.7 -22,-3.3 -2,-0.6 -21,-1.2 -0.849 27.4-171.6 -87.6 113.3 36.2 -24.6 -2.1 40 1042 A V E -AC 16 98A 2 58,-3.0 58,-2.2 -2,-0.7 2,-0.6 -0.945 17.2-153.0-119.7 135.6 32.9 -24.9 -0.3 41 1043 A Q E -AC 15 97A 27 -26,-2.9 -26,-2.2 -2,-0.4 56,-0.2 -0.920 19.9-130.7-104.0 120.5 32.1 -26.5 3.1 42 1044 A S E -A 14 0A 0 54,-2.9 53,-2.9 -2,-0.6 -28,-0.3 -0.472 15.7-169.3 -68.6 141.3 28.7 -27.9 3.7 43 1045 A Q + 0 0 23 -30,-3.0 2,-0.3 51,-0.2 -29,-0.2 0.257 68.9 60.2-100.3 2.8 27.0 -26.8 6.9 44 1046 A E S > S- 0 0 81 -31,-0.4 3,-0.7 49,-0.2 2,-0.2 -0.962 84.3-108.2-134.3 153.6 24.2 -29.4 6.6 45 1047 A D T 3 S+ 0 0 126 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.511 100.3 11.7 -71.0 147.8 23.8 -33.1 6.3 46 1048 A N T 3 S- 0 0 81 46,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.847 80.7-178.0 57.3 42.4 22.8 -34.5 3.0 47 1049 A L E < +H 92 0B 9 45,-2.3 45,-2.5 -3,-0.7 -1,-0.2 -0.564 12.9 165.8 -80.5 125.6 23.4 -31.3 1.0 48 1050 A R E + 0 0 155 -2,-0.4 40,-2.2 1,-0.2 2,-0.3 0.469 56.9 17.6-120.6 -5.1 22.5 -31.8 -2.6 49 1051 A S E -H 87 0B 47 38,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.980 54.9-169.1-160.7 156.4 22.4 -28.3 -4.2 50 1052 A L E -H 86 0B 1 36,-1.7 36,-3.3 -2,-0.3 2,-0.4 -0.964 15.0-133.8-147.3 165.9 23.5 -24.8 -3.6 51 1053 A V E -H 85 0B 26 -2,-0.3 -42,-2.5 34,-0.2 2,-0.3 -0.970 15.4-168.8-124.4 135.4 22.9 -21.4 -5.0 52 1054 A L E -H 84 0B 1 32,-2.4 32,-2.7 -2,-0.4 2,-0.3 -0.869 25.2-112.9-115.8 159.7 25.4 -18.7 -5.9 53 1055 A D E +HI 83 144B 0 91,-3.0 91,-1.6 -2,-0.3 2,-0.3 -0.643 38.4 168.4 -83.4 146.5 24.9 -15.0 -6.8 54 1056 A T E -H 82 0B 2 28,-0.7 28,-2.4 26,-0.3 2,-0.3 -0.985 16.7-166.7-150.2 156.3 25.7 -13.9 -10.3 55 1057 A K S S- 0 0 14 84,-1.9 52,-0.3 -2,-0.3 3,-0.1 -0.888 75.6 -20.5-150.1 115.1 25.0 -10.7 -12.3 56 1058 A D S S+ 0 0 46 -2,-0.3 51,-0.5 1,-0.2 2,-0.4 0.822 94.2 145.0 57.8 37.0 25.4 -10.4 -16.1 57 1059 A L - 0 0 20 49,-0.2 2,-0.6 82,-0.1 -1,-0.2 -0.796 45.5-142.5-103.6 144.2 27.7 -13.4 -16.1 58 1060 A T E -D 105 0A 84 47,-2.9 47,-1.8 -2,-0.4 2,-0.5 -0.932 18.4-153.5-100.9 120.3 27.8 -16.0 -19.0 59 1061 A I E +D 104 0A 22 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.846 18.4 178.7 -98.3 128.1 28.4 -19.4 -17.6 60 1062 A E E - 0 0 136 43,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.856 63.7 -31.1 -90.7 -43.1 30.0 -22.0 -19.8 61 1063 A K E -D 103 0A 66 42,-1.1 42,-2.8 2,-0.0 2,-0.4 -0.971 44.1-133.8-168.3 162.8 30.1 -25.0 -17.5 62 1064 A V E -D 102 0A 1 7,-0.4 7,-2.7 -2,-0.3 2,-0.4 -1.000 24.8-164.6-127.8 126.6 30.4 -26.1 -13.8 63 1065 A V E +DE 101 68A 20 38,-2.7 38,-2.8 -2,-0.4 2,-0.4 -0.952 14.2 168.9-122.2 131.3 32.8 -29.0 -13.0 64 1066 A I E > S+ E 0 67A 4 3,-2.5 3,-1.8 -2,-0.4 36,-0.1 -0.996 76.1 1.7-136.6 134.3 33.0 -31.1 -9.9 65 1067 A N T 3 S- 0 0 114 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.855 131.6 -59.4 56.3 34.9 35.1 -34.2 -9.5 66 1068 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.550 118.4 95.9 79.1 1.6 36.3 -33.7 -13.1 67 1069 A Q E < S-E 64 0A 143 -3,-1.8 -3,-2.5 0, 0.0 -1,-0.2 -0.947 78.5-103.5-126.7 153.5 32.9 -33.8 -14.7 68 1070 A E E -E 63 0A 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.471 38.8-159.5 -70.9 139.9 30.3 -31.3 -15.8 69 1071 A V - 0 0 23 -7,-2.7 -7,-0.4 -2,-0.2 2,-0.2 -0.833 23.0 -93.7-117.9 163.2 27.3 -30.9 -13.5 70 1072 A K + 0 0 141 -2,-0.3 17,-2.7 17,-0.2 2,-0.3 -0.437 46.7 165.1 -75.6 142.3 23.8 -29.6 -13.9 71 1073 A Y E -J 86 0B 59 15,-0.2 2,-0.4 -2,-0.2 15,-0.2 -0.972 18.5-155.0-147.7 164.7 23.2 -26.0 -13.0 72 1074 A A E -J 85 0B 41 13,-2.3 13,-2.8 -2,-0.3 2,-0.6 -0.993 10.4-143.4-145.2 138.3 20.3 -23.5 -13.7 73 1075 A L E -J 84 0B 70 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.880 24.7-146.1-101.3 122.3 20.3 -19.7 -13.8 74 1076 A G - 0 0 32 9,-3.1 3,-0.1 -2,-0.6 -1,-0.0 -0.234 36.6 -66.8 -77.8 174.6 17.0 -18.3 -12.4 75 1077 A E - 0 0 173 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.257 61.0 -98.5 -57.9 144.4 15.2 -15.2 -13.5 76 1078 A R - 0 0 113 6,-0.2 2,-0.5 1,-0.1 6,-0.2 -0.440 26.3-155.8 -67.3 141.5 17.0 -11.9 -13.0 77 1079 A Q > - 0 0 93 4,-3.1 3,-2.3 1,-0.3 4,-0.2 -0.666 41.4-105.6-114.8 71.6 15.9 -10.0 -9.9 78 1080 A S G > S+ 0 0 80 -2,-0.5 3,-1.9 1,-0.3 -1,-0.3 -0.109 97.1 2.5 46.1-127.7 16.9 -6.5 -10.9 79 1081 A Y G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.615 126.1 66.7 -71.1 -11.0 20.0 -5.2 -9.1 80 1082 A K G < S- 0 0 23 -3,-2.3 -26,-0.3 1,-0.3 -1,-0.3 0.646 95.9-146.0 -79.2 -16.7 20.5 -8.5 -7.3 81 1083 A G < - 0 0 0 -3,-1.9 -4,-3.1 -4,-0.2 -1,-0.3 -0.531 35.3 -42.5 83.1-154.4 21.3 -10.4 -10.5 82 1084 A S E -H 54 0B 23 -28,-2.4 -28,-0.7 -6,-0.2 -6,-0.2 -0.966 51.5-122.3-121.9 132.0 20.3 -14.0 -11.2 83 1085 A P E -H 53 0B 24 0, 0.0 -9,-3.1 0, 0.0 2,-0.6 -0.455 19.9-150.0 -75.1 139.3 20.6 -16.9 -8.8 84 1086 A M E -HJ 52 73B 0 -32,-2.7 -32,-2.4 -11,-0.2 2,-0.5 -0.942 8.5-161.2-112.4 107.9 22.7 -19.9 -10.0 85 1087 A E E -HJ 51 72B 97 -13,-2.8 -13,-2.3 -2,-0.6 2,-0.5 -0.809 4.2-163.5 -93.4 125.7 21.6 -23.2 -8.6 86 1088 A I E -HJ 50 71B 0 -36,-3.3 -36,-1.7 -2,-0.5 2,-0.7 -0.931 12.0-143.0-110.1 128.4 24.2 -26.0 -8.8 87 1089 A S E -H 49 0B 53 -17,-2.7 -17,-0.2 -2,-0.5 -38,-0.2 -0.799 21.5-137.3 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1359 A T T 3 S+ 0 0 112 -6,-0.1 -1,-0.3 92,-0.1 -2,-0.1 0.406 83.5 124.7-105.9 5.9 11.4 10.6 8.5 358 1360 A H X - 0 0 57 -3,-2.1 3,-2.3 -7,-0.2 92,-0.4 -0.378 63.9-132.8 -73.5 139.9 13.1 8.8 5.7 359 1361 A P G > S+ 0 0 69 0, 0.0 3,-1.2 0, 0.0 7,-0.2 0.729 103.3 66.9 -64.6 -19.5 14.1 5.1 6.3 360 1362 A F G 3 S+ 0 0 26 1,-0.2 19,-0.1 5,-0.1 -2,-0.1 0.484 91.4 64.7 -79.7 -2.1 17.6 5.7 4.9 361 1363 A T G < S+ 0 0 0 -3,-2.3 -1,-0.2 -6,-0.1 2,-0.1 0.455 78.9 103.1 -97.1 1.6 18.3 8.0 7.8 362 1364 A K S < S- 0 0 76 -3,-1.2 85,-0.1 -4,-0.2 84,-0.1 -0.501 74.5-133.6 -70.7 151.3 18.0 5.2 10.3 363 1365 A L S S+ 0 0 5 82,-0.4 2,-0.6 85,-0.4 -50,-0.4 0.948 101.3 42.8 -71.2 -48.9 21.4 3.9 11.7 364 1366 A V S S- 0 0 17 82,-2.5 -1,-0.2 -52,-0.1 2,-0.2 -0.885 89.8-161.0 -95.4 119.8 20.4 0.2 11.1 365 1367 A V - 0 0 28 -55,-1.5 2,-0.6 -2,-0.6 -5,-0.1 -0.528 18.5-134.4 -99.6 161.9 18.7 0.1 7.7 366 1368 A D - 0 0 103 -2,-0.2 -4,-0.0 -7,-0.2 -2,-0.0 -0.930 18.6-175.1-117.2 106.2 16.4 -2.5 6.2 367 1369 A L > 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S S S- 0 0 19 -17,-0.0 4,-0.4 -16,-0.0 -2,-0.0 -0.948 73.5 -81.3-167.5 179.9 25.0 8.2 2.1 378 1380 A S S > S+ 0 0 29 -2,-0.3 4,-3.0 1,-0.2 5,-0.4 0.539 100.6 94.2 -74.5 -4.2 26.9 9.8 5.0 379 1381 A V H >>S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.9 0.936 85.2 43.5 -57.1 -52.2 24.3 8.6 7.5 380 1382 A P H >5S+ 0 0 19 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.880 118.7 48.1 -63.8 -32.4 26.0 5.3 8.6 381 1383 A Y H >5S+ 0 0 37 -4,-0.4 4,-1.9 3,-0.2 -2,-0.2 0.949 124.3 25.7 -64.6 -54.9 29.3 7.2 8.8 382 1384 A E H X5S+ 0 0 19 -4,-3.0 4,-2.4 2,-0.2 -3,-0.2 0.848 123.3 47.2 -94.9 -31.8 28.2 10.2 10.8 383 1385 A K H X5S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.4 -1,-0.2 0.911 117.0 48.5 -73.0 -34.0 25.2 8.9 12.7 384 1386 A G H XS+ 0 0 6 -4,-2.8 5,-2.9 1,-0.2 4,-0.5 0.933 111.6 44.3 -50.3 -48.9 32.8 8.0 24.6 393 1395 A Q H ><5S+ 0 0 57 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.886 114.9 47.1 -67.0 -38.6 31.5 11.0 26.5 394 1396 A L H 3<5S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 112.7 50.0 -71.0 -31.1 29.0 9.1 28.7 395 1397 A L H 3<5S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.354 128.3 -78.0 -97.2 4.5 31.5 6.4 29.6 396 1398 A G T <<5S- 0 0 48 -3,-0.6 4,-0.2 -4,-0.5 3,-0.2 0.488 77.4 -70.3 116.9 2.1 34.5 8.4 30.8 397 1399 A G >< - 0 0 13 -5,-2.9 4,-2.6 -6,-0.2 5,-0.2 -0.415 65.7 -49.4 114.2 178.3 36.3 9.7 27.7 398 1400 A P H > S+ 0 0 30 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.829 124.0 53.8 -66.3 -36.2 38.5 8.7 24.8 399 1401 A E H > S+ 0 0 154 2,-0.2 4,-1.4 1,-0.2 -2,-0.1 0.945 113.7 44.1 -64.7 -44.0 41.1 6.6 26.6 400 1402 A I H > S+ 0 0 64 -4,-0.2 4,-1.5 2,-0.2 3,-0.5 0.954 115.1 47.3 -64.6 -44.2 38.4 4.5 28.2 401 1403 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 106.8 57.3 -71.4 -30.8 36.5 4.2 25.0 402 1404 A L H X S+ 0 0 15 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.839 101.0 58.5 -63.2 -30.0 39.6 3.3 23.0 403 1405 A G H X S+ 0 0 28 -4,-1.4 4,-2.2 -3,-0.5 -1,-0.2 0.921 107.3 47.2 -63.2 -42.9 40.1 0.4 25.4 404 1406 A F H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.941 109.3 53.8 -62.2 -46.0 36.7 -0.9 24.3 405 1407 A L H X S+ 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-12.7 11.4 415 1417 A K E < -s 304 0E 120 -3,-2.0 -110,-2.4 -112,-0.7 2,-0.4 -0.745 66.5-132.1-124.8 165.0 34.2 -12.7 12.1 416 1418 A S E -s 305 0E 20 -2,-0.2 2,-0.3 -112,-0.2 -110,-0.2 -0.985 35.5-178.6-119.6 128.3 31.0 -11.1 10.7 417 1419 A I E -s 306 0E 5 -112,-2.6 -110,-2.8 -2,-0.4 -109,-0.4 -0.825 20.9-131.2-133.2 162.6 28.7 -9.6 13.3 418 1420 A T > - 0 0 21 -2,-0.3 4,-2.2 -112,-0.2 5,-0.2 -0.617 38.0 -99.7-109.1 171.2 25.4 -7.7 13.8 419 1421 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 124.1 54.5 -54.3 -42.3 24.4 -4.6 15.7 420 1422 A D H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.890 105.7 52.1 -65.2 -34.5 23.1 -6.9 18.5 421 1423 A D H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.925 111.4 46.6 -63.4 -43.6 26.5 -8.6 18.7 422 1424 A W H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.917 113.9 48.1 -60.6 -48.1 28.2 -5.2 19.1 423 1425 A K H X S+ 0 0 52 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.905 109.4 52.5 -65.6 -38.7 25.7 -4.0 21.7 424 1426 A D H X S+ 0 0 111 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.912 112.2 45.7 -59.2 -46.1 26.0 -7.2 23.7 425 1427 A F H X S+ 0 0 25 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.904 108.3 56.4 -67.4 -40.5 29.8 -6.9 23.8 426 1428 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.935 110.7 45.4 -49.4 -47.3 29.5 -3.1 24.7 427 1429 A Y H < S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.855 112.8 49.9 -68.8 -35.7 27.5 -4.1 27.7 428 1430 A S H >< S+ 0 0 77 -4,-1.9 3,-1.2 -5,-0.2 -2,-0.2 0.945 114.0 44.6 -65.5 -51.3 29.8 -7.0 28.6 429 1431 A Y H 3< S+ 0 0 93 -4,-3.2 3,-0.3 1,-0.3 -2,-0.2 0.913 121.0 39.8 -58.2 -48.3 32.9 -4.7 28.4 430 1432 A F T >< S+ 0 0 10 -4,-2.4 3,-2.5 -5,-0.3 -1,-0.3 -0.124 73.6 137.2 -95.0 39.2 31.2 -1.9 30.3 431 1433 A K G X S+ 0 0 131 -3,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.839 70.3 55.1 -61.2 -30.1 29.5 -4.1 32.8 432 1434 A D G 3 S+ 0 0 141 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.558 111.3 45.9 -81.0 -1.3 30.4 -1.8 35.7 433 1435 A K G <> S+ 0 0 76 -3,-2.5 4,-2.1 -6,-0.2 3,-0.5 0.014 71.9 123.5-121.7 28.2 28.7 1.1 33.8 434 1436 A V H <> + 0 0 45 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.844 68.8 61.2 -62.2 -29.1 25.6 -0.6 32.8 435 1437 A D H > S+ 0 0 120 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.945 106.1 46.3 -67.3 -36.2 23.4 2.0 34.4 436 1438 A V H >4 S+ 0 0 39 -3,-0.5 3,-1.0 1,-0.2 4,-0.4 0.909 112.5 50.6 -67.0 -44.5 24.9 4.7 32.2 437 1439 A L H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.863 104.9 57.0 -58.2 -39.3 24.4 2.4 29.1 438 1440 A N H 3< S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.666 95.6 67.5 -71.5 -11.6 20.8 1.8 30.1 439 1441 A Q T << S+ 0 0 131 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.659 80.4 97.5 -74.9 -16.8 20.4 5.7 30.0 440 1442 A V S < S- 0 0 7 -3,-1.5 2,-1.7 -4,-0.4 3,-0.2 -0.472 81.2-127.2 -75.7 142.6 20.9 5.6 26.2 441 1443 A D > + 0 0 83 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 -0.638 36.0 176.0 -87.5 81.0 17.8 5.7 24.0 442 1444 A W H > S+ 0 0 23 -2,-1.7 4,-2.8 1,-0.2 5,-0.4 0.880 72.3 55.0 -59.8 -41.1 18.8 2.6 22.0 443 1445 A N H > S+ 0 0 102 -3,-0.2 4,-2.0 1,-0.2 5,-0.5 0.917 113.2 41.9 -62.5 -40.1 15.6 2.4 20.0 444 1446 A A H > S+ 0 0 15 3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.959 117.0 46.8 -69.8 -53.0 15.9 6.0 18.8 445 1447 A W H < S+ 0 0 1 -4,-2.8 -82,-0.4 1,-0.2 -2,-0.2 0.900 125.3 28.9 -53.3 -46.9 19.7 5.8 18.1 446 1448 A L H < S+ 0 0 1 -4,-2.8 -82,-2.5 -5,-0.2 -1,-0.2 0.831 134.6 20.4 -86.3 -32.9 19.6 2.5 16.2 447 1449 A Y H < S+ 0 0 86 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.476 96.0 90.0-125.5 -5.7 16.2 2.4 14.6 448 1450 A S < - 0 0 36 -4,-1.6 -85,-0.4 -5,-0.5 -84,-0.1 -0.743 67.7-122.7 -99.4 149.0 14.6 5.8 14.3 449 1451 A P + 0 0 49 0, 0.0 -87,-0.1 0, 0.0 -93,-0.1 -0.270 67.6 34.5 -75.3 170.5 14.9 8.1 11.4 450 1452 A G S S- 0 0 4 -92,-0.4 -93,-0.1 -95,-0.3 -2,-0.1 -0.287 103.2 -17.0 89.9-171.2 16.3 11.7 11.5 451 1453 A L S S- 0 0 75 1,-0.1 4,-0.1 -2,-0.1 -90,-0.0 -0.401 84.8 -89.5 -66.9 154.4 18.9 13.4 13.6 452 1454 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.149 34.8-110.5 -62.8 162.8 19.9 11.4 16.8 453 1455 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.693 100.9 28.7 -72.3 -14.2 18.0 12.0 20.0 454 1456 A I S S- 0 0 78 -9,-0.0 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A K T < 5 + 0 0 139 -3,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.780 55.0 162.1 71.8 33.3 22.5 31.4 -9.6 545 1547 A W > < - 0 0 24 -5,-2.7 3,-1.6 1,-0.2 4,-0.4 -0.740 23.6-163.5 -85.6 104.0 25.8 32.6 -10.9 546 1548 A E T > S+ 0 0 103 -2,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.821 84.8 66.1 -60.1 -29.8 25.9 31.8 -14.6 547 1549 A D T 3> S+ 0 0 114 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.766 96.2 57.9 -61.3 -25.7 29.7 32.3 -14.8 548 1550 A A H <> S+ 0 0 3 -3,-1.6 4,-2.8 1,-0.2 -1,-0.3 0.643 83.0 87.0 -79.5 -11.4 30.1 29.2 -12.5 549 1551 A I H <> S+ 0 0 12 -3,-1.7 4,-2.6 -4,-0.4 5,-0.2 0.932 90.9 42.4 -57.8 -53.1 28.1 26.9 -14.9 550 1552 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 115.0 52.4 -65.9 -29.6 31.1 25.9 -17.1 551 1553 A L H X S+ 0 0 44 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.929 112.5 44.3 -70.4 -41.0 33.3 25.5 -14.0 552 1554 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.913 113.2 50.3 -71.5 -39.7 30.8 23.2 -12.3 553 1555 A L H X S+ 0 0 11 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.896 111.7 49.7 -62.4 -42.4 30.2 21.2 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0.797 118.9 23.3 -51.5 -33.4 30.4 12.8 -3.6 564 1566 A F H <> S+ 0 0 0 -3,-1.9 4,-2.1 2,-0.1 -2,-0.2 0.829 123.0 51.9-103.2 -47.6 31.2 15.7 -6.0 565 1567 A T H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.886 107.0 51.2 -64.2 -42.7 29.7 14.6 -9.3 566 1568 A R H X S+ 0 0 57 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.961 114.2 40.4 -65.6 -48.6 26.2 13.8 -8.1 567 1569 A P H > S+ 0 0 29 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.858 113.8 54.5 -72.1 -26.8 25.5 17.0 -6.2 568 1570 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.962 112.1 43.7 -66.8 -43.2 27.1 19.1 -9.0 569 1571 A F H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.920 114.3 50.9 -65.1 -41.6 24.9 17.6 -11.6 570 1572 A K H X S+ 0 0 86 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.928 112.5 45.8 -64.7 -42.0 21.9 17.9 -9.3 571 1573 A D H X S+ 0 0 15 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.929 112.5 50.7 -67.6 -39.5 22.6 21.6 -8.7 572 1574 A L H < S+ 0 0 0 -4,-2.7 6,-0.3 1,-0.2 10,-0.2 0.877 110.6 49.7 -64.3 -36.1 23.2 22.2 -12.4 573 1575 A A H < S+ 0 0 19 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.840 109.3 51.9 -71.4 -28.1 19.9 20.5 -13.2 574 1576 A A H < S+ 0 0 88 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.2 0.701 92.9 82.0 -81.8 -19.7 18.0 22.7 -10.6 575 1577 A F S >X S- 0 0 13 -4,-1.3 4,-1.4 -3,-0.2 3,-1.2 -0.752 76.2-147.4 -85.7 119.7 19.4 25.9 -12.0 576 1578 A D H 3> S+ 0 0 120 -2,-0.7 4,-0.5 1,-0.3 3,-0.4 0.871 94.3 57.3 -61.4 -34.0 17.2 26.8 -14.9 577 1579 A K H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.785 118.4 31.6 -67.1 -28.6 20.0 28.4 -16.9 578 1580 A S H <> S+ 0 0 0 -3,-1.2 4,-2.8 -6,-0.3 -1,-0.2 0.466 92.6 97.2-101.7 -7.8 22.1 25.2 -16.8 579 1581 A H H X S+ 0 0 72 -4,-1.4 4,-2.3 -3,-0.4 5,-0.2 0.912 85.4 43.7 -55.0 -51.9 19.4 22.6 -16.8 580 1582 A D H X S+ 0 0 109 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.903 116.1 47.3 -64.8 -41.5 19.4 21.7 -20.4 581 1583 A Q H > S+ 0 0 85 2,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.868 108.8 55.8 -65.6 -38.1 23.2 21.7 -20.8 582 1584 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -10,-0.2 -2,-0.2 0.938 110.1 45.3 -58.4 -46.0 23.5 19.5 -17.6 583 1585 A V H X S+ 0 0 33 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.922 114.1 48.3 -64.7 -43.7 21.2 16.9 -19.1 584 1586 A R H X S+ 0 0 150 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.889 111.0 52.0 -61.4 -40.5 23.0 17.0 -22.5 585 1587 A T H X S+ 0 0 13 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.926 109.5 48.3 -62.9 -47.8 26.3 16.7 -20.8 586 1588 A Y H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 112.9 47.7 -56.4 -48.2 25.2 13.6 -18.9 587 1589 A Q H < S+ 0 0 73 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.851 111.7 52.0 -68.2 -28.1 23.8 12.0 -22.0 588 1590 A E H < S+ 0 0 141 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.849 120.5 32.7 -63.6 -45.0 27.1 12.8 -23.9 589 1591 A H H >< S+ 0 0 49 -4,-2.0 3,-1.6 -5,-0.2 4,-0.4 0.620 91.4 98.9 -94.4 -12.6 29.2 11.3 -21.2 590 1592 A K G >< S+ 0 0 69 -4,-2.2 3,-1.1 1,-0.3 -1,-0.1 0.776 81.4 50.4 -42.5 -52.4 26.8 8.4 -20.1 591 1593 A A G 3 S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.716 113.8 44.1 -70.1 -21.7 28.4 5.7 -22.1 592 1594 A S G < S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.285 94.1 99.4-109.9 12.1 31.9 6.4 -20.8 593 1595 A M S < S- 0 0 35 -3,-1.1 -36,-0.0 -4,-0.4 -33,-0.0 -0.507 89.7 -83.5 -86.7 164.6 31.1 6.9 -17.1 594 1596 A H > - 0 0 4 -332,-0.2 4,-3.0 -2,-0.2 5,-0.3 -0.372 45.1-121.0 -57.8 141.7 31.5 4.3 -14.4 595 1597 A P H > S+ 0 0 39 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.860 110.2 45.3 -63.7 -35.6 28.3 2.1 -14.5 596 1598 A V H > S+ 0 0 6 -485,-0.3 4,-2.5 2,-0.2 5,-0.2 0.950 114.7 48.0 -74.5 -44.4 27.2 2.9 -10.9 597 1599 A T H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.905 111.2 52.2 -57.8 -45.0 27.8 6.6 -11.3 598 1600 A A H X S+ 0 0 12 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.927 110.3 48.0 -58.0 -43.9 26.0 6.6 -14.6 599 1601 A M H X S+ 0 0 58 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.937 115.6 43.2 -58.0 -50.5 23.0 4.9 -13.0 600 1602 A L H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.903 112.0 50.7 -72.4 -39.7 22.8 7.2 -10.0 601 1603 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 6,-0.2 0.916 110.2 53.2 -62.7 -42.1 23.3 10.5 -11.9 602 1604 A G H X>S+ 0 0 5 -4,-2.1 5,-2.4 -5,-0.3 4,-0.8 0.930 111.0 45.7 -55.1 -46.2 20.6 9.4 -14.3 603 1605 A K H ><5S+ 0 0 126 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.927 112.3 50.7 -66.9 -42.1 18.2 8.8 -11.4 604 1606 A D H 3<5S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 114.7 43.0 -60.2 -37.3 19.1 12.1 -9.8 605 1607 A L H 3<5S- 0 0 10 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.500 107.5-124.4 -86.7 -5.9 18.5 14.0 -13.1 606 1608 A K T <<5 + 0 0 178 -4,-0.8 2,-0.5 -3,-0.7 -3,-0.2 0.862 67.7 136.5 59.3 35.6 15.3 12.0 -13.8 607 1609 A V < 0 0 22 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.968 360.0 360.0-120.7 122.4 16.9 11.1 -17.2 608 1610 A D 0 0 168 -2,-0.5 -9,-0.0 -3,-0.1 -3,-0.0 -0.100 360.0 360.0 -94.5 360.0 16.7 7.6 -18.6