==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-OCT-04 1XM5 . COMPND 2 MOLECULE: HYPOTHETICAL UPF0054 PROTEIN YBEY; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,W.SHI,U.A.RAMAGOPAL,R.THIRUMURUHAN, . 604 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 52 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 3 0 0 0 0 3 3 2 4 0 0 0 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 6 2 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 0 0 0 4 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 4 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 1001 A M 0 0 153 0, 0.0 2,-0.3 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 162.3 -25.9 105.1 122.0 2 1002 A S + 0 0 88 32,-0.0 2,-0.3 34,-0.0 36,-0.2 -0.855 360.0 145.1-156.0 111.1 -23.3 104.7 124.7 3 1003 A Q E -a 38 0A 95 34,-3.4 36,-2.0 -2,-0.3 2,-0.5 -0.914 23.2-176.4-159.7 125.0 -20.3 102.6 123.9 4 1004 A V E -a 39 0A 7 -2,-0.3 2,-0.6 34,-0.2 36,-0.2 -0.888 16.2-155.2-124.7 97.5 -16.6 102.7 124.9 5 1005 A I E -a 40 0A 71 34,-2.4 36,-1.3 -2,-0.5 2,-0.4 -0.623 17.7-156.3 -74.7 117.1 -14.5 100.1 123.3 6 1006 A L E -a 41 0A 17 -2,-0.6 2,-0.6 34,-0.2 36,-0.2 -0.814 18.0-166.5-101.3 134.8 -11.5 99.6 125.6 7 1007 A D E -a 42 0A 60 34,-2.0 36,-2.1 -2,-0.4 2,-0.5 -0.826 17.0-165.9-116.8 88.7 -8.1 98.2 124.6 8 1008 A L E -a 43 0A 31 -2,-0.6 2,-0.6 34,-0.2 36,-0.2 -0.651 3.5-169.7 -81.5 123.4 -6.4 97.4 127.8 9 1009 A Q E -a 44 0A 28 34,-3.1 36,-1.8 -2,-0.5 2,-0.8 -0.905 9.2-164.3-119.3 106.3 -2.6 96.8 127.5 10 1010 A L E +a 45 0A 75 -2,-0.6 36,-0.1 34,-0.2 34,-0.1 -0.780 19.7 163.8 -88.1 109.8 -0.7 95.4 130.5 11 1011 A A + 0 0 34 34,-2.5 36,-0.5 -2,-0.8 2,-0.2 -0.234 30.4 115.1-122.1 43.8 2.9 96.0 129.7 12 1012 A C S S- 0 0 12 34,-0.2 34,-0.0 1,-0.1 -2,-0.0 -0.652 74.7-116.4-107.5 166.9 4.7 95.5 133.0 13 1013 A E S S+ 0 0 175 -2,-0.2 -1,-0.1 1,-0.0 33,-0.0 0.895 114.6 24.2 -67.4 -36.7 7.2 92.9 134.1 14 1014 A D S S- 0 0 97 2,-0.1 3,-0.1 -3,-0.0 -4,-0.0 0.943 70.2-171.5 -89.9 -75.1 4.6 91.7 136.6 15 1015 A N + 0 0 61 1,-0.4 3,-0.4 -4,-0.0 2,-0.3 0.562 48.2 119.0 86.2 12.0 1.0 92.6 135.7 16 1016 A S + 0 0 68 1,-0.2 -1,-0.4 0, 0.0 -2,-0.1 -0.813 62.8 30.1-106.7 149.7 -0.3 91.4 139.0 17 1017 A G S S+ 0 0 61 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.750 87.1 127.9 77.0 23.1 -2.2 93.7 141.4 18 1018 A L - 0 0 23 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 -0.711 69.2 -82.3-106.1 161.2 -3.6 96.0 138.7 19 1019 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.190 51.7-100.9 -59.4 156.9 -7.3 96.9 138.3 20 1020 A E >> - 0 0 128 1,-0.1 4,-1.7 -3,-0.1 3,-1.3 -0.524 28.2-116.9 -77.2 147.1 -9.5 94.4 136.5 21 1021 A E H 3> S+ 0 0 103 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.826 117.6 58.6 -53.4 -32.4 -10.3 95.2 132.9 22 1022 A S H 3> S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.838 102.0 54.2 -66.9 -32.0 -14.0 95.5 134.0 23 1023 A Q H <> S+ 0 0 56 -3,-1.3 4,-2.9 2,-0.2 5,-0.2 0.941 108.7 46.6 -67.7 -46.1 -13.0 98.2 136.4 24 1024 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 5,-0.2 0.936 112.4 52.4 -58.3 -45.9 -11.3 100.3 133.7 25 1025 A Q H X S+ 0 0 58 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 110.2 48.2 -54.4 -48.0 -14.4 99.7 131.6 26 1026 A T H X S+ 0 0 76 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.938 113.3 45.6 -59.7 -52.4 -16.6 100.9 134.4 27 1027 A W H < S+ 0 0 2 -4,-2.9 3,-0.4 1,-0.2 4,-0.3 0.920 111.6 53.5 -59.3 -43.8 -14.5 104.1 135.0 28 1028 A L H >X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 3,-1.2 0.869 105.6 53.1 -59.5 -38.7 -14.3 104.7 131.3 29 1029 A N H 3< S+ 0 0 67 -4,-2.1 5,-0.3 1,-0.3 -1,-0.2 0.817 103.8 57.1 -68.3 -29.2 -18.1 104.6 130.9 30 1030 A A T 3< S+ 0 0 25 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.496 119.8 28.3 -79.4 -2.8 -18.6 107.1 133.7 31 1031 A V T <4 S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.723 121.2 36.5-122.8 -49.2 -16.5 109.7 131.8 32 1032 A I S >X S+ 0 0 0 -4,-2.4 3,-2.5 -5,-0.2 4,-1.3 0.973 99.7 63.9 -77.8 -59.0 -16.5 109.3 128.1 33 1033 A P H 3> S+ 0 0 18 0, 0.0 4,-1.0 0, 0.0 3,-0.2 0.798 95.7 63.6 -34.3 -47.2 -20.0 108.2 126.8 34 1034 A Q H 34 S+ 0 0 97 -5,-0.3 -2,-0.1 1,-0.2 -32,-0.0 0.291 114.7 33.3 -67.3 12.3 -21.5 111.5 128.1 35 1035 A F H <4 S+ 0 0 78 -3,-2.5 -1,-0.2 0, 0.0 -3,-0.1 0.489 138.3 8.7-138.3 -24.5 -19.3 113.3 125.5 36 1036 A Q H < - 0 0 74 -4,-1.3 2,-3.4 -3,-0.2 -2,-0.1 0.584 64.4-162.7-133.9 -25.6 -19.0 111.0 122.5 37 1037 A E S < S+ 0 0 66 -4,-1.0 -34,-3.4 -5,-0.4 2,-0.7 -0.325 84.4 52.3 71.9 -66.7 -21.3 108.0 122.9 38 1038 A E E S+a 3 0A 92 -2,-3.4 2,-0.3 -36,-0.2 -34,-0.2 -0.897 84.4 118.2-105.5 107.8 -19.4 106.1 120.2 39 1039 A S E -a 4 0A 1 -36,-2.0 -34,-2.4 -2,-0.7 2,-0.3 -0.979 41.6-149.7-160.1 170.6 -15.7 106.0 121.1 40 1040 A E E -ab 5 82A 70 41,-1.4 43,-2.3 -2,-0.3 44,-0.7 -0.972 9.8-171.6-153.2 134.0 -12.7 103.9 121.9 41 1041 A V E -ab 6 84A 2 -36,-1.3 -34,-2.0 -2,-0.3 2,-0.4 -0.946 15.4-141.2-127.8 149.7 -9.6 104.4 124.0 42 1042 A T E -ab 7 85A 11 42,-2.0 44,-1.9 -2,-0.4 2,-0.4 -0.850 18.5-174.3-104.6 141.6 -6.4 102.5 124.5 43 1043 A I E -ab 8 86A 2 -36,-2.1 -34,-3.1 -2,-0.4 2,-0.5 -0.952 1.4-174.5-140.3 117.5 -4.9 102.3 128.0 44 1044 A R E -ab 9 87A 27 42,-2.5 44,-2.0 -2,-0.4 2,-0.5 -0.967 14.9-148.3-118.6 130.8 -1.6 100.7 128.7 45 1045 A V E +ab 10 88A 0 -36,-1.8 -34,-2.5 -2,-0.5 2,-0.2 -0.798 30.1 173.1 -90.9 129.6 -0.1 100.3 132.2 46 1046 A V E - b 0 89A 0 42,-2.2 44,-2.1 -2,-0.5 45,-0.5 -0.731 30.1 -99.2-130.7 179.9 3.7 100.4 132.1 47 1047 A D >> - 0 0 34 -36,-0.5 4,-2.1 -2,-0.2 3,-0.6 -0.679 44.8 -95.6-102.6 156.3 6.7 100.5 134.4 48 1048 A T H 3> S+ 0 0 45 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.785 119.7 57.7 -36.3 -46.9 8.7 103.6 135.5 49 1049 A A H 3> S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.952 110.3 40.3 -54.8 -56.6 11.3 103.1 132.8 50 1050 A E H <> S+ 0 0 33 -3,-0.6 4,-3.4 2,-0.2 5,-0.3 0.911 117.6 49.7 -60.4 -43.1 8.9 103.3 129.8 51 1051 A S H X S+ 0 0 0 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.956 110.5 50.0 -59.1 -50.9 6.9 106.0 131.5 52 1052 A H H X S+ 0 0 25 -4,-3.5 4,-2.4 -5,-0.2 11,-0.5 0.924 113.6 46.9 -51.7 -50.9 10.1 108.0 132.1 53 1053 A S H X S+ 0 0 11 -4,-2.8 4,-3.0 -5,-0.2 475,-0.4 0.943 113.9 45.3 -58.9 -53.6 11.1 107.5 128.5 54 1054 A L H X S+ 0 0 11 -4,-3.4 4,-2.1 1,-0.2 5,-0.5 0.914 113.7 50.9 -58.3 -43.5 7.7 108.5 127.1 55 1055 A N H X>S+ 0 0 6 -4,-3.6 4,-2.0 -5,-0.3 6,-1.3 0.911 113.4 44.2 -63.0 -41.6 7.5 111.5 129.4 56 1056 A L H X5S+ 0 0 24 -4,-2.4 4,-1.0 4,-0.3 -2,-0.2 0.956 117.3 44.0 -68.4 -49.6 10.9 112.7 128.4 57 1057 A T H <5S+ 0 0 28 -4,-3.0 -2,-0.2 471,-0.3 -1,-0.2 0.738 128.5 24.9 -72.3 -20.0 10.5 112.2 124.7 58 1058 A Y H <5S+ 0 0 62 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.699 136.2 26.2-114.4 -24.4 7.0 113.6 124.3 59 1059 A R H <5S- 0 0 113 -4,-2.0 -3,-0.2 -5,-0.5 -2,-0.1 0.452 97.0-125.9-114.2 -6.9 6.6 116.0 127.2 60 1060 A G << + 0 0 57 -4,-1.0 2,-0.5 -5,-0.6 -4,-0.3 0.891 64.0 135.2 62.5 42.4 10.3 116.9 127.7 61 1061 A K - 0 0 30 -6,-1.3 2,-2.2 -9,-0.2 -1,-0.2 -0.955 56.1-137.0-128.7 113.9 10.2 116.0 131.3 62 1062 A D S S+ 0 0 85 -2,-0.5 -9,-0.1 -6,-0.1 -10,-0.1 -0.425 76.5 54.0 -69.9 77.5 13.1 113.9 132.8 63 1063 A K S S- 0 0 65 -2,-2.2 -2,-0.1 -11,-0.5 2,-0.1 -0.828 84.6 -90.7 166.3 156.0 10.9 111.6 135.0 64 1064 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.432 37.7-161.3 -80.4 159.7 8.0 109.2 135.0 65 1065 A T - 0 0 19 1,-0.1 24,-0.5 -2,-0.1 27,-0.3 -0.817 29.0-114.2-132.3 173.2 4.4 110.4 135.7 66 1066 A N S S+ 0 0 35 -2,-0.3 23,-1.7 1,-0.3 2,-0.4 0.925 98.3 16.1 -76.1 -44.0 1.2 108.7 136.7 67 1067 A V E -C 88 0A 19 21,-0.2 2,-0.5 25,-0.1 -1,-0.3 -0.949 56.4-169.0-140.8 120.4 -0.7 109.4 133.5 68 1068 A L E -C 87 0A 5 19,-3.2 19,-2.9 -2,-0.4 2,-0.6 -0.892 17.7-154.4-103.4 128.4 0.4 110.4 130.0 69 1069 A S E -C 86 0A 11 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.912 12.2-174.9-108.9 120.1 -2.5 111.4 127.8 70 1070 A F E -C 85 0A 26 15,-3.2 15,-2.0 -2,-0.6 2,-0.2 -0.756 13.7-161.1-115.0 85.8 -2.1 111.1 124.0 71 1071 A P E -C 84 0A 67 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.492 18.8-122.2 -71.0 132.3 -5.2 112.6 122.4 72 1072 A F - 0 0 23 11,-2.5 2,-0.4 -2,-0.2 437,-0.0 -0.548 19.9-139.2 -72.9 121.8 -5.9 111.5 118.8 73 1073 A E - 0 0 95 -2,-0.3 439,-0.1 435,-0.1 438,-0.1 -0.733 13.4-138.1 -85.8 132.9 -6.1 114.5 116.4 74 1074 A V - 0 0 71 -2,-0.4 3,-0.1 6,-0.1 4,-0.1 -0.807 23.6-117.6 -91.9 119.8 -8.9 114.1 113.9 75 1075 A P - 0 0 1 0, 0.0 3,-0.1 0, 0.0 433,-0.1 -0.287 46.9 -84.6 -55.1 134.4 -7.8 115.1 110.4 76 1076 A P S S+ 0 0 98 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.113 115.4 18.0 -43.2 127.9 -9.9 118.1 109.2 77 1077 A G S S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.1 0, 0.0 0.971 98.6 119.5 71.9 57.0 -13.1 116.8 107.7 78 1078 A M - 0 0 68 -3,-0.1 2,-0.7 -4,-0.1 -1,-0.2 -0.990 59.4-131.7-154.3 143.8 -13.2 113.2 109.1 79 1079 A E + 0 0 185 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.856 39.2 167.6 -95.6 117.3 -15.5 111.1 111.3 80 1080 A M - 0 0 32 -2,-0.7 -6,-0.1 1,-0.1 -2,-0.1 -0.992 29.8-177.6-135.9 141.9 -13.3 109.4 113.9 81 1081 A S + 0 0 44 -2,-0.4 -41,-1.4 -42,-0.1 2,-0.3 0.641 57.6 104.4-106.8 -24.3 -14.2 107.5 117.1 82 1082 A L E -b 40 0A 28 -43,-0.2 -41,-0.2 1,-0.2 3,-0.1 -0.441 46.2-176.4 -62.3 120.8 -10.7 106.8 118.3 83 1083 A L E - 0 0 13 -43,-2.3 -11,-2.5 1,-0.3 2,-0.3 0.777 40.2-104.2 -91.7 -31.9 -10.0 109.2 121.2 84 1084 A G E -bC 41 71A 0 -44,-0.7 -42,-2.0 -13,-0.3 -1,-0.3 -0.915 39.5 -62.2 138.4-164.9 -6.4 108.5 122.0 85 1085 A D E -bC 42 70A 45 -15,-2.0 -15,-3.2 -2,-0.3 2,-0.4 -0.874 22.7-150.3-125.5 157.8 -4.3 106.6 124.6 86 1086 A L E -bC 43 69A 0 -44,-1.9 -42,-2.5 -2,-0.3 2,-0.7 -0.992 9.5-163.6-123.8 123.6 -3.6 106.7 128.3 87 1087 A V E -bC 44 68A 9 -19,-2.9 -19,-3.2 -2,-0.4 2,-0.5 -0.947 13.5-174.2-111.9 111.8 -0.3 105.6 129.5 88 1088 A I E -bC 45 67A 0 -44,-2.0 -42,-2.2 -2,-0.7 2,-0.7 -0.932 17.8-141.9-111.8 128.8 -0.4 105.0 133.2 89 1089 A C E > -b 46 0A 0 -23,-1.7 4,-2.3 -2,-0.5 5,-0.2 -0.773 4.1-157.8 -90.9 116.4 2.6 104.1 135.3 90 1090 A R H > S+ 0 0 17 -44,-2.1 4,-2.4 -2,-0.7 5,-0.2 0.867 90.2 55.3 -62.2 -35.2 1.8 101.5 138.0 91 1091 A Q H > S+ 0 0 41 -45,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.962 110.6 43.7 -61.7 -51.9 4.8 102.5 140.2 92 1092 A V H > S+ 0 0 16 -27,-0.3 4,-3.0 1,-0.2 5,-0.3 0.925 113.6 51.4 -58.6 -47.9 3.8 106.2 140.3 93 1093 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.906 112.5 45.5 -57.3 -45.4 0.1 105.4 140.9 94 1094 A E H X S+ 0 0 59 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.875 114.5 47.9 -67.4 -39.5 0.9 103.0 143.8 95 1095 A K H X S+ 0 0 107 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.935 113.2 47.7 -67.0 -47.2 3.4 105.4 145.4 96 1096 A E H X S+ 0 0 36 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.921 108.9 52.6 -60.9 -46.5 1.1 108.4 145.2 97 1097 A A H <>S+ 0 0 5 -4,-2.2 5,-2.1 -5,-0.3 -1,-0.2 0.843 112.3 48.0 -59.5 -31.7 -1.9 106.5 146.6 98 1098 A Q H ><5S+ 0 0 166 -4,-1.2 3,-0.7 3,-0.2 -2,-0.2 0.910 112.9 46.0 -75.4 -42.7 0.4 105.5 149.5 99 1099 A E H 3<5S+ 0 0 161 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.801 118.1 42.7 -69.2 -31.9 1.7 109.1 150.1 100 1100 A Q T 3<5S- 0 0 112 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.337 106.3-127.2 -97.1 5.9 -1.8 110.6 149.9 101 1101 A G T < 5 + 0 0 69 -3,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.862 59.1 143.0 51.3 42.1 -3.3 107.9 152.0 102 1102 A K < - 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0 0 27 -36,-0.5 4,-1.8 -2,-0.2 3,-0.4 -0.645 47.7 -92.3-101.7 160.9 -5.8 101.3 109.3 503 4048 D T H > S+ 0 0 49 -2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.797 118.2 62.4 -41.1 -46.2 -5.5 104.5 107.3 504 4049 D A H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.954 110.1 36.8 -47.9 -64.5 -7.5 106.6 109.8 505 4050 D E H > S+ 0 0 15 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.899 119.8 49.2 -56.7 -45.6 -5.1 106.2 112.7 506 4051 D S H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.969 112.1 48.6 -57.4 -55.0 -2.0 106.4 110.4 507 4052 D H H X S+ 0 0 22 -4,-3.7 4,-0.9 1,-0.2 11,-0.4 0.913 112.3 48.1 -51.5 -50.3 -3.4 109.5 108.7 508 4053 D S H >X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 3,-0.7 0.921 113.2 47.3 -58.6 -46.9 -4.1 111.2 112.0 509 4054 D L H 3< S+ 0 0 25 -4,-2.7 5,-0.3 1,-0.2 4,-0.3 0.888 107.6 56.0 -63.6 -39.9 -0.6 110.3 113.4 510 4055 D N H 3X S+ 0 0 4 -4,-2.9 6,-2.9 1,-0.2 4,-0.6 0.671 112.0 45.4 -66.4 -17.6 1.2 111.5 110.2 511 4056 D L H - 0 0 5 0, 0.0 3,-3.0 0, 0.0 -477,-0.1 -0.346 38.2 -91.7 -59.0 131.2 16.7 109.0 129.7 531 4076 D P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.151 116.7 15.3 -46.2 120.2 20.2 110.3 130.7 532 4077 D G T 3 S+ 0 0 88 1,-0.4 2,-0.0 -3,-0.1 -3,-0.0 -0.110 105.9 107.5 103.6 -35.6 21.6 107.8 133.1 533 4078 D M S < S- 0 0 78 -3,-3.0 -1,-0.4 1,-0.1 2,-0.1 -0.296 72.9-106.2 -76.6 160.8 19.0 105.1 132.3 534 4079 D E - 0 0 136 -3,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.370 33.4-111.8 -80.7 163.9 19.7 101.9 130.4 535 4080 D M + 0 0 63 1,-0.1 -43,-0.2 -6,-0.1 3,-0.1 -0.871 60.0 121.3-106.9 115.2 18.5 101.4 126.8 536 4081 D S + 0 0 47 -2,-0.6 -41,-1.7 1,-0.2 2,-1.0 0.469 60.4 55.4-126.1 -80.1 15.8 98.8 126.0 537 4082 D L E -k 495 0D 26 -43,-0.2 -1,-0.2 1,-0.2 -41,-0.2 -0.476 59.0-175.7 -67.7 100.8 12.6 100.0 124.3 538 4083 D L E - 0 0 16 -43,-2.3 -11,-2.1 -2,-1.0 2,-0.3 0.640 45.8 -95.6 -72.3 -20.8 13.9 101.8 121.2 539 4084 D G E -kL 496 526D 0 -44,-0.6 -42,-2.3 -13,-0.3 2,-0.3 -0.928 45.4 -52.9 140.1-162.9 10.5 103.0 120.0 540 4085 D D E -kL 497 525D 40 -15,-1.8 -15,-2.8 -2,-0.3 2,-0.5 -0.855 17.8-155.1-123.3 155.8 7.5 102.2 117.7 541 4086 D L E -kL 498 524D 0 -44,-2.2 -42,-2.9 -2,-0.3 2,-0.7 -0.992 13.7-166.0-125.8 113.1 6.7 101.4 114.1 542 4087 D V E -kL 499 523D 9 -19,-2.3 -19,-1.8 -2,-0.5 2,-0.4 -0.934 14.4-171.6-103.3 112.8 3.2 102.3 113.2 543 4088 D I E -kL 500 522D 0 -44,-3.3 -42,-3.2 -2,-0.7 2,-0.7 -0.920 18.6-143.9-113.6 133.4 2.4 100.6 109.9 544 4089 D C E > -k 501 0D 0 -23,-2.3 4,-1.8 -24,-0.5 -42,-0.2 -0.856 6.6-164.0 -96.2 115.2 -0.6 101.1 107.7 545 4090 D R H > S+ 0 0 16 -44,-1.9 4,-3.7 -2,-0.7 5,-0.2 0.917 88.6 53.2 -63.5 -45.2 -1.7 97.9 106.0 546 4091 D Q H > S+ 0 0 49 -45,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.967 111.3 44.4 -55.0 -57.5 -3.9 99.6 103.5 547 4092 D V H > S+ 0 0 17 -27,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.842 116.7 49.3 -56.0 -33.8 -1.1 101.9 102.3 548 4093 D V H X S+ 0 0 0 -4,-1.8 4,-2.2 -28,-0.2 -2,-0.2 0.962 108.3 50.7 -70.1 -52.6 1.2 98.8 102.3 549 4094 D E H X S+ 0 0 69 -4,-3.7 4,-1.6 2,-0.2 -2,-0.2 0.864 112.8 49.3 -53.9 -40.6 -1.1 96.6 100.3 550 4095 D K H >X S+ 0 0 107 -4,-2.4 4,-2.0 -5,-0.2 3,-1.8 0.975 108.8 47.2 -60.2 -84.7 -1.5 99.3 97.7 551 4096 D E H 3X S+ 0 0 46 -4,-1.3 4,-0.7 1,-0.3 6,-0.2 0.727 111.4 53.9 -23.3 -53.1 2.1 100.2 97.0 552 4097 D A H >X S+ 0 0 4 -4,-2.2 4,-0.9 2,-0.2 3,-0.8 0.935 114.9 39.3 -53.4 -51.8 3.0 96.5 96.8 553 4098 D Q H X< S+ 0 0 167 -3,-1.8 3,-1.1 -4,-1.6 -2,-0.2 0.955 115.4 52.7 -62.3 -52.0 0.3 95.9 94.1 554 4099 D E H 3< S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.499 118.4 37.8 -63.2 -6.1 1.1 99.3 92.5 555 4100 D Q H << S- 0 0 110 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.402 101.3-128.4-124.1 -5.5 4.8 98.3 92.3 556 4101 D G << + 0 0 64 -3,-1.1 -3,-0.1 -4,-0.9 -4,-0.1 0.111 63.5 137.7 78.3 -25.7 4.4 94.6 91.5 557 4102 D K - 0 0 52 -6,-0.2 -1,-0.3 -5,-0.1 -2,-0.2 -0.173 67.3 -95.3 -50.5 143.5 6.7 93.8 94.4 558 4103 D P > - 0 0 73 0, 0.0 4,-1.0 0, 0.0 5,-0.1 -0.237 30.3-121.6 -60.2 155.7 5.4 90.8 96.4 559 4104 D L H >> S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 3,-1.8 0.998 109.9 45.6 -61.4 -64.6 3.4 91.8 99.4 560 4105 D E H >> S+ 0 0 85 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.893 108.9 55.0 -43.3 -56.3 5.5 90.0 101.9 561 4106 D A H 3> S+ 0 0 6 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.770 110.5 48.4 -52.7 -27.5 8.8 91.4 100.5 562 4107 D H H S+ 0 0 2 -4,-1.6 5,-2.4 2,-0.2 -1,-0.3 0.927 109.1 49.2 -63.4 -38.1 16.8 102.1 110.5 573 4118 D H H ><5S+ 0 0 38 -4,-1.7 3,-2.8 1,-0.2 -2,-0.2 0.970 107.5 53.8 -60.8 -49.6 14.9 105.2 111.4 574 4119 D L H 3<5S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.9 53.1 -50.6 -34.3 14.5 103.9 115.0 575 4120 D L T 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.215 130.7 -91.9 -87.7 10.8 18.3 103.4 115.0 576 4121 D G T < 5S+ 0 0 60 -3,-2.8 -3,-0.2 1,-0.3 -2,-0.1 0.271 82.0 129.0 101.0 -14.5 19.0 107.0 113.9 577 4122 D Y < + 0 0 64 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.166 26.5 169.9 -72.5 172.2 19.2 106.9 110.1 578 4123 D D - 0 0 32 6,-0.2 10,-0.3 3,-0.0 3,-0.0 -0.962 33.5-140.0-168.0 171.0 17.3 109.1 107.7 579 4124 D H + 0 0 76 -2,-0.3 -2,-0.0 9,-0.1 6,-0.0 -0.127 68.5 105.6-137.0 38.1 17.2 110.0 104.0 580 4125 D I S S+ 0 0 76 5,-0.0 2,-0.1 0, 0.0 -1,-0.1 0.845 79.6 50.6 -84.8 -38.6 16.6 113.8 104.0 581 4126 D E S > S- 0 0 71 1,-0.1 4,-0.9 -3,-0.0 5,-0.0 -0.332 86.2-122.6 -90.4 176.4 20.2 114.5 102.9 582 4127 D D H > S+ 0 0 155 2,-0.2 4,-1.1 3,-0.1 -1,-0.1 0.806 110.0 45.1 -90.2 -34.6 22.0 112.9 100.0 583 4128 D D H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.1 -1,-0.1 0.880 116.7 46.1 -74.4 -41.3 25.0 111.5 101.9 584 4129 D E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -6,-0.2 0.912 109.9 52.1 -68.2 -46.8 22.8 110.1 104.7 585 4130 D A H X S+ 0 0 11 -4,-0.9 4,-2.8 1,-0.2 5,-0.3 0.862 104.9 59.9 -59.1 -36.4 20.2 108.6 102.4 586 4131 D E H X S+ 0 0 121 -4,-1.1 4,-3.1 2,-0.2 5,-0.2 0.978 107.7 41.5 -56.4 -61.2 23.0 106.8 100.6 587 4132 D E H X S+ 0 0 118 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.900 115.4 50.9 -55.2 -45.5 24.2 104.9 103.6 588 4133 D M H X S+ 0 0 0 -4,-2.2 4,-3.1 -10,-0.3 -1,-0.2 0.930 113.1 45.1 -60.4 -46.3 20.7 104.1 104.8 589 4134 D E H X S+ 0 0 79 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.965 110.6 53.2 -61.4 -52.1 19.7 102.7 101.4 590 4135 D A H X S+ 0 0 50 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.897 114.4 44.6 -48.4 -42.5 23.0 100.8 101.1 591 4136 D L H X S+ 0 0 34 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.900 110.3 51.4 -70.3 -44.5 22.1 99.3 104.4 592 4137 D E H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 -2,-0.2 0.955 113.2 48.5 -56.4 -48.9 18.4 98.7 103.6 593 4138 D T H X S+ 0 0 19 -4,-3.5 4,-2.7 1,-0.2 5,-0.3 0.948 110.1 49.6 -54.0 -57.3 19.6 96.9 100.5 594 4139 D E H X S+ 0 0 129 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.858 116.2 42.0 -53.3 -42.4 22.2 94.8 102.3 595 4140 D I H X S+ 0 0 13 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.943 114.8 51.3 -71.8 -48.6 19.7 93.6 105.0 596 4141 D M H >X>S+ 0 0 0 -4,-3.2 4,-2.1 -5,-0.3 5,-1.4 0.972 116.0 38.4 -52.2 -65.0 17.0 93.1 102.4 597 4142 D L H ><5S+ 0 0 85 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.973 116.8 52.2 -47.8 -66.6 19.0 90.9 100.1 598 4143 D A H 3<5S+ 0 0 85 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.763 105.8 56.7 -39.1 -35.7 20.7 89.2 103.0 599 4144 D L H <<5S- 0 0 41 -4,-2.5 -1,-0.3 -3,-0.6 -2,-0.2 0.934 128.0 -97.5 -65.7 -45.7 17.2 88.5 104.4 600 4145 D G T <<5S+ 0 0 65 -4,-2.1 -3,-0.2 -3,-1.4 -2,-0.1 0.225 88.3 105.1 147.5 -12.7 16.3 86.7 101.2 601 4146 D Y S