==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 24-AUG-05 2AST . COMPND 2 MOLECULE: S-PHASE KINASE-ASSOCIATED PROTEIN 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.HAO,N.ZHANG,B.A.SCHULMAN,G.WU,M.PAGANO,N.P.PAVLETICH . 546 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 44 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 3 5 3 1 3 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 9 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 . 1 2 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 1 0 0 0 0 0 0 1 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 1002 A A 0 0 105 0, 0.0 16,-2.0 0, 0.0 17,-0.4 0.000 360.0 360.0 360.0 -43.7 31.0 -141.3 5.3 2 1003 A S E +A 16 0A 61 14,-0.3 2,-0.3 15,-0.1 14,-0.2 -0.883 360.0 179.9-121.6 149.2 28.2 -142.5 3.0 3 1004 A I E -A 15 0A 7 12,-3.0 12,-3.2 -2,-0.3 2,-0.4 -0.982 19.4-130.8-147.4 151.2 24.5 -143.2 3.6 4 1005 A K E -A 14 0A 84 -2,-0.3 34,-2.9 10,-0.2 2,-0.4 -0.887 16.1-168.9-112.8 139.0 21.5 -144.4 1.5 5 1006 A L E -Ab 13 38A 3 8,-2.6 8,-2.9 -2,-0.4 2,-0.5 -0.983 9.7-150.3-127.2 132.8 18.1 -142.9 1.2 6 1007 A Q E -Ab 12 39A 65 32,-3.3 34,-2.6 -2,-0.4 6,-0.2 -0.906 15.1-142.1-105.4 125.7 14.9 -144.4 -0.4 7 1008 A S > - 0 0 5 4,-2.8 3,-1.3 -2,-0.5 37,-0.2 -0.156 33.0 -95.8 -74.0 175.2 12.4 -142.1 -1.9 8 1009 A S T 3 S+ 0 0 62 35,-2.7 36,-0.2 32,-0.4 -1,-0.1 0.857 125.3 48.8 -62.1 -39.7 8.6 -142.7 -1.7 9 1010 A D T 3 S- 0 0 99 34,-0.2 -1,-0.3 2,-0.1 35,-0.1 0.287 124.8 -99.2 -88.8 7.0 8.5 -144.4 -5.1 10 1011 A G S < S+ 0 0 30 -3,-1.3 -2,-0.1 1,-0.3 34,-0.0 0.153 72.0 140.4 107.7 -18.5 11.4 -146.7 -4.2 11 1012 A E - 0 0 118 -5,-0.1 -4,-2.8 1,-0.1 2,-0.4 -0.324 41.8-140.3 -64.9 141.4 14.5 -145.2 -5.8 12 1013 A I E -A 6 0A 89 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.893 15.1-166.7-112.1 130.5 17.7 -145.4 -3.7 13 1014 A F E -A 5 0A 38 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.5 -0.950 12.3-145.3-120.4 134.0 20.2 -142.6 -3.5 14 1015 A E E +A 4 0A 132 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.871 31.6 164.2 -99.3 126.7 23.7 -142.7 -2.0 15 1016 A V E -A 3 0A 13 -12,-3.2 -12,-3.0 -2,-0.5 2,-0.1 -0.951 42.6 -91.7-139.8 156.7 24.8 -139.5 -0.3 16 1017 A D E > -A 2 0A 72 -2,-0.3 4,-2.3 -14,-0.2 -14,-0.3 -0.441 34.9-127.5 -64.6 141.8 27.5 -138.2 2.1 17 1018 A V H > S+ 0 0 44 -16,-2.0 4,-0.6 1,-0.2 -1,-0.1 0.789 109.2 51.7 -62.1 -30.6 26.4 -138.4 5.7 18 1019 A E H > S+ 0 0 123 -17,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.837 109.4 48.8 -78.0 -35.2 27.2 -134.7 6.3 19 1020 A I H >4 S+ 0 0 19 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.902 112.6 48.2 -67.2 -43.2 25.2 -133.6 3.2 20 1021 A A H >< S+ 0 0 8 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.675 99.2 70.9 -69.2 -18.9 22.2 -135.7 4.5 21 1022 A K H 3< S+ 0 0 99 -4,-0.6 -1,-0.2 1,-0.2 6,-0.2 0.776 78.4 75.7 -68.1 -29.1 22.8 -134.1 7.9 22 1023 A Q T << S+ 0 0 47 -3,-0.9 2,-0.7 -4,-0.6 74,-0.4 0.709 83.8 77.4 -56.7 -22.9 21.5 -130.7 6.5 23 1024 A S <> - 0 0 3 -3,-1.0 4,-2.3 -4,-0.2 72,-0.2 -0.852 69.9-162.7 -88.5 116.4 18.1 -132.4 6.8 24 1025 A V H > S+ 0 0 68 70,-2.1 4,-2.7 -2,-0.7 70,-0.2 0.859 91.7 56.3 -67.5 -36.0 17.0 -132.3 10.5 25 1026 A T H > S+ 0 0 30 68,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.940 111.5 41.7 -58.5 -49.9 14.5 -135.1 9.7 26 1027 A I H > S+ 0 0 5 67,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.868 113.2 55.1 -66.0 -36.5 17.2 -137.3 8.4 27 1028 A K H >< S+ 0 0 95 -4,-2.3 3,-0.6 -6,-0.2 4,-0.5 0.904 110.9 43.9 -60.2 -43.5 19.5 -136.3 11.2 28 1029 A T H 3X S+ 0 0 68 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.634 110.4 56.6 -78.9 -15.1 16.8 -137.3 13.8 29 1030 A M H 3< S+ 0 0 60 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.573 99.5 60.7 -87.9 -12.6 16.2 -140.6 11.9 30 1031 A L T << S+ 0 0 73 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.661 95.2 59.4 -90.8 -19.0 19.8 -141.7 12.1 31 1032 A E T 4 S+ 0 0 143 -4,-0.5 2,-0.3 1,-0.1 -2,-0.1 0.934 111.9 35.5 -75.3 -48.7 20.1 -141.8 15.9 32 1033 A D S < S+ 0 0 87 -4,-0.6 -1,-0.1 1,-0.1 0, 0.0 -0.805 109.2 31.3-104.9 152.3 17.3 -144.4 16.3 33 1034 A L S S- 0 0 150 -2,-0.3 2,-0.1 -3,-0.0 -1,-0.1 0.836 74.2-149.1 67.3 112.8 16.6 -147.3 13.9 34 1035 A G + 0 0 74 2,-0.1 -3,-0.0 -3,-0.0 -2,-0.0 -0.422 47.9 65.8-106.1 179.2 19.7 -148.7 12.1 35 1036 A M S S- 0 0 189 -2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.823 77.2 -71.3 73.5 113.7 20.6 -150.4 8.7 36 1037 A D S S+ 0 0 79 2,-0.1 2,-0.2 -31,-0.0 -31,-0.1 -0.360 89.4 62.8 -60.3 169.9 20.3 -148.5 5.4 37 1038 A P - 0 0 36 0, 0.0 -32,-0.3 0, 0.0 -23,-0.1 0.356 68.6-142.2 -79.0 170.7 18.3 -147.2 3.0 38 1039 A V E -b 5 0A 13 -34,-2.9 -32,-3.3 -2,-0.2 2,-0.3 -0.739 19.4-128.0 -75.8 118.5 16.5 -144.6 5.1 39 1040 A P E -b 6 0A 74 0, 0.0 -32,-0.2 0, 0.0 -31,-0.1 -0.545 25.2-175.0 -71.6 134.0 12.9 -144.5 3.9 40 1041 A L > + 0 0 1 -34,-2.6 3,-1.5 -2,-0.3 -32,-0.4 -0.710 4.8 177.3-125.4 78.3 11.5 -141.1 3.0 41 1042 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.555 75.1 54.5 -60.7 -8.8 7.8 -141.9 2.3 42 1043 A N T 3 S+ 0 0 114 1,-0.1 2,-0.4 47,-0.1 50,-0.1 0.507 98.7 60.6-109.3 -7.6 7.0 -138.2 1.6 43 1044 A V S < S- 0 0 3 -3,-1.5 -35,-2.7 49,-0.1 -34,-0.2 -0.988 71.4-144.5-121.6 130.5 9.5 -137.2 -1.1 44 1045 A N > - 0 0 47 -2,-0.4 4,-2.7 -37,-0.2 5,-0.2 -0.331 31.4 -98.4 -84.6 172.7 9.7 -138.8 -4.5 45 1046 A A H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.833 118.4 54.5 -61.1 -39.8 12.8 -139.5 -6.6 46 1047 A A H > S+ 0 0 66 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.927 115.9 37.4 -61.6 -47.5 12.5 -136.5 -8.9 47 1048 A I H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.889 113.4 55.9 -72.9 -42.0 12.3 -134.0 -5.9 48 1049 A L H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.866 104.4 54.9 -60.0 -38.6 14.9 -135.9 -3.7 49 1050 A K H X S+ 0 0 141 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.905 110.8 45.1 -59.4 -44.4 17.4 -135.7 -6.6 50 1051 A K H X S+ 0 0 49 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.922 112.4 51.4 -63.8 -46.8 16.9 -131.9 -6.6 51 1052 A V H X S+ 0 0 5 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.909 112.2 45.8 -57.3 -46.3 17.1 -131.7 -2.8 52 1053 A I H X S+ 0 0 29 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.882 111.0 53.7 -65.1 -40.2 20.4 -133.7 -2.8 53 1054 A Q H X S+ 0 0 83 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.940 112.4 44.8 -56.6 -49.4 21.7 -131.5 -5.7 54 1055 A W H X S+ 0 0 10 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.933 111.8 50.5 -59.6 -51.6 20.9 -128.4 -3.5 55 1056 A C H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.773 107.7 54.8 -62.1 -29.6 22.4 -129.8 -0.3 56 1057 A T H >< S+ 0 0 65 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.899 107.4 49.6 -68.4 -43.3 25.6 -130.7 -2.1 57 1058 A H H 3< S+ 0 0 87 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.842 117.0 40.7 -63.1 -36.3 26.1 -127.1 -3.4 58 1059 A H T >< S+ 0 0 20 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.076 79.7 114.1-102.1 22.5 25.6 -125.7 0.1 59 1060 A K T < S+ 0 0 120 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.751 83.1 38.8 -68.0 -25.4 27.6 -128.3 2.0 60 1061 A D T 3 S+ 0 0 132 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.311 87.7 122.6-107.0 5.3 30.3 -125.8 3.1 61 1062 A D < - 0 0 89 -3,-1.0 -3,-0.0 1,-0.1 -4,-0.0 -0.511 50.5-154.8 -73.0 132.0 28.0 -122.9 3.8 62 1063 A P 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.971 360.0 360.0 -67.8 -56.4 28.1 -121.4 7.3 63 1064 A P 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.533 360.0 360.0 70.4 360.0 24.5 -119.9 7.3 64 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 1082 A T 0 0 147 0, 0.0 96,-0.0 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 113.6 16.8 -112.8 5.4 66 1083 A D + 0 0 128 95,-0.1 95,-0.0 2,-0.0 38,-0.0 0.935 360.0 30.3 67.2 107.6 17.4 -110.7 2.2 67 1084 A D - 0 0 147 1,-0.1 3,-0.0 2,-0.0 34,-0.0 0.791 60.0-129.8 96.2 110.4 18.7 -111.8 -1.2 68 1085 A I - 0 0 22 1,-0.1 5,-0.1 33,-0.1 -1,-0.1 -0.811 38.2-115.0 -79.4 109.0 18.5 -115.1 -2.9 69 1086 A P > - 0 0 69 0, 0.0 4,-1.4 0, 0.0 3,-0.2 -0.050 24.8-110.0 -49.3 152.1 22.0 -116.2 -4.1 70 1087 A V H > S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.855 116.3 50.1 -57.1 -42.9 22.7 -116.3 -7.8 71 1088 A W H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 109.2 51.3 -63.3 -42.1 23.0 -120.2 -7.9 72 1089 A D H > S+ 0 0 1 -3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.749 103.5 61.2 -67.9 -25.3 19.7 -120.7 -6.0 73 1090 A Q H < S+ 0 0 104 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.916 110.2 37.8 -67.4 -45.6 17.9 -118.3 -8.4 74 1091 A E H >< S+ 0 0 100 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.855 112.7 58.5 -73.0 -36.3 18.7 -120.6 -11.4 75 1092 A F H 3< S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.842 107.9 47.0 -59.8 -35.5 18.1 -123.8 -9.4 76 1093 A L T 3< S+ 0 0 8 -4,-1.4 2,-2.4 -5,-0.1 -1,-0.3 0.368 76.5 114.2 -93.1 4.1 14.6 -122.6 -8.6 77 1094 A K < + 0 0 171 -3,-1.2 2,-0.3 -4,-0.1 -1,-0.1 -0.493 54.5 118.0 -72.3 74.6 13.8 -121.7 -12.2 78 1095 A V S S- 0 0 50 -2,-2.4 -2,-0.0 1,-0.1 -3,-0.0 -0.835 70.3 -78.5-136.1 169.9 11.1 -124.5 -12.4 79 1096 A D > - 0 0 107 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.256 47.8-104.0 -68.1 161.6 7.4 -124.9 -12.9 80 1097 A Q H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.799 119.2 58.4 -57.5 -34.0 4.9 -124.2 -10.0 81 1098 A G H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 108.0 43.7 -60.4 -52.8 4.4 -128.0 -9.5 82 1099 A T H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.938 115.6 48.1 -57.8 -51.6 8.1 -128.6 -8.8 83 1100 A L H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.877 109.4 53.7 -57.7 -42.9 8.5 -125.6 -6.6 84 1101 A F H X S+ 0 0 21 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.865 112.5 44.3 -59.0 -39.8 5.3 -126.6 -4.7 85 1102 A E H X S+ 0 0 72 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.868 108.4 58.1 -73.6 -38.8 6.8 -130.0 -4.0 86 1103 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.861 105.5 49.4 -58.8 -40.8 10.2 -128.5 -3.1 87 1104 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.926 113.3 45.9 -64.7 -47.3 8.7 -126.5 -0.3 88 1105 A L H X S+ 0 0 51 -4,-1.3 4,-3.3 2,-0.2 -2,-0.2 0.896 114.5 48.6 -61.3 -42.4 6.9 -129.5 1.1 89 1106 A A H X S+ 0 0 4 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.921 110.8 50.4 -62.7 -46.4 10.1 -131.5 0.7 90 1107 A A H X>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 4,-0.6 0.879 115.5 43.9 -57.9 -40.8 12.1 -128.8 2.5 91 1108 A N H <5S+ 0 0 65 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.909 116.1 45.5 -70.7 -45.0 9.5 -128.8 5.3 92 1109 A Y H <5S+ 0 0 54 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.919 121.7 37.9 -63.9 -45.1 9.3 -132.6 5.5 93 1110 A L H <5S- 0 0 0 -4,-3.4 -68,-1.6 -5,-0.2 -67,-0.5 0.588 106.7-133.7 -82.8 -11.2 13.0 -133.0 5.4 94 1111 A D T <5 + 0 0 65 -4,-0.6 -70,-2.1 -5,-0.3 2,-0.7 0.969 40.1 166.6 55.4 61.5 13.4 -129.9 7.6 95 1112 A I >< - 0 0 4 -5,-2.1 4,-2.7 -72,-0.2 3,-0.3 -0.910 20.2-163.1-108.3 102.3 16.2 -128.2 5.6 96 1113 A K H > S+ 0 0 157 -2,-0.7 4,-2.3 -74,-0.4 -1,-0.2 0.904 84.6 46.0 -50.4 -58.5 16.3 -124.6 6.9 97 1114 A G H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.780 114.7 47.3 -61.6 -32.8 18.3 -123.0 4.0 98 1115 A L H > S+ 0 0 1 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.893 111.6 50.5 -76.2 -42.5 16.2 -124.7 1.3 99 1116 A L H X S+ 0 0 33 -4,-2.7 4,-2.0 -9,-0.2 -2,-0.2 0.859 109.6 55.3 -55.4 -38.5 13.0 -123.7 3.1 100 1117 A D H X S+ 0 0 45 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.972 112.0 38.1 -60.7 -58.5 14.4 -120.2 3.2 101 1118 A V H X S+ 0 0 6 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.794 116.3 51.6 -68.2 -31.6 15.1 -119.7 -0.6 102 1119 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.926 111.3 46.7 -72.1 -44.9 11.9 -121.5 -1.7 103 1120 A C H X S+ 0 0 7 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.874 112.0 51.7 -61.0 -41.5 9.6 -119.4 0.5 104 1121 A K H X S+ 0 0 19 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.893 107.1 54.1 -60.8 -42.2 11.4 -116.3 -0.7 105 1122 A T H X S+ 0 0 26 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.899 110.4 44.7 -60.6 -45.4 10.8 -117.3 -4.3 106 1123 A V H X S+ 0 0 4 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.864 113.8 51.3 -66.8 -36.9 7.1 -117.7 -3.8 107 1124 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.861 105.3 55.6 -66.7 -37.2 7.0 -114.4 -1.9 108 1125 A N H < S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.736 105.6 52.7 -66.7 -25.1 8.9 -112.7 -4.8 109 1126 A M H < S+ 0 0 51 -4,-1.0 4,-0.5 -3,-0.2 -1,-0.2 0.845 109.5 48.8 -73.7 -37.8 6.1 -113.9 -7.0 110 1127 A I H < S+ 0 0 2 -4,-1.4 2,-0.4 2,-0.1 -2,-0.2 0.812 89.2 99.7 -69.9 -32.8 3.6 -112.3 -4.7 111 1128 A K S < S+ 0 0 76 -4,-1.9 2,-0.1 1,-0.2 3,-0.1 -0.419 98.0 2.7 -62.3 114.2 5.5 -109.0 -4.6 112 1129 A G S S+ 0 0 60 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 -0.316 99.9 113.8 106.9 -48.0 3.9 -106.6 -7.0 113 1130 A K - 0 0 71 -4,-0.5 -1,-0.3 -3,-0.2 5,-0.0 -0.320 68.6-117.4 -62.7 136.2 0.9 -108.7 -8.1 114 1131 A T >> - 0 0 58 1,-0.1 4,-1.9 -3,-0.1 3,-1.0 -0.325 29.1-103.6 -70.6 155.1 -2.6 -107.5 -7.1 115 1132 A P H 3> S+ 0 0 30 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.681 125.5 54.5 -53.9 -18.6 -4.8 -109.6 -4.7 116 1133 A E H 34 S+ 0 0 67 2,-0.2 4,-0.3 1,-0.1 5,-0.1 0.811 106.1 49.1 -83.2 -35.7 -6.8 -110.5 -7.9 117 1134 A E H <> S+ 0 0 81 -3,-1.0 4,-3.2 2,-0.2 3,-0.4 0.794 107.9 57.6 -69.5 -30.2 -3.7 -111.7 -9.7 118 1135 A I H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.925 103.0 50.3 -66.1 -47.9 -2.8 -113.8 -6.6 119 1136 A R H <>S+ 0 0 79 -4,-1.1 5,-2.1 -5,-0.2 -1,-0.2 0.560 120.9 39.3 -68.1 -8.3 -6.1 -115.7 -6.6 120 1137 A K H >45S+ 0 0 144 -3,-0.4 3,-0.8 -4,-0.3 -2,-0.2 0.834 111.5 48.8-102.8 -59.9 -5.4 -116.4 -10.3 121 1138 A T H 3<5S+ 0 0 53 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.1 0.658 128.9 29.4 -61.3 -18.0 -1.6 -117.1 -10.7 122 1139 A F T 3<5S- 0 0 4 -4,-1.3 25,-0.7 -5,-0.3 -1,-0.3 0.379 111.2-124.5-114.9 -4.1 -1.9 -119.6 -7.8 123 1140 A N T < 5 + 0 0 116 -3,-0.8 2,-0.4 -5,-0.2 24,-0.3 0.990 45.4 170.4 54.5 74.2 -5.6 -120.5 -8.5 124 1141 A I < - 0 0 12 -5,-2.1 2,-0.3 22,-0.1 -1,-0.2 -0.926 35.8-113.6-118.8 139.4 -7.2 -119.7 -5.2 125 1142 A K - 0 0 149 -2,-0.4 2,-0.8 1,-0.1 -5,-0.1 -0.536 23.3-142.9 -72.6 128.4 -10.9 -119.5 -4.3 126 1143 A N - 0 0 30 -2,-0.3 2,-0.4 48,-0.1 3,-0.2 -0.832 22.7-174.0 -95.5 105.2 -12.2 -116.1 -3.4 127 1144 A D + 0 0 50 -2,-0.8 48,-0.2 1,-0.2 46,-0.0 -0.830 58.3 16.0-106.8 143.4 -14.8 -116.4 -0.6 128 1145 A F S S- 0 0 91 -2,-0.4 -1,-0.2 46,-0.1 2,-0.2 0.988 80.9-177.1 55.8 88.2 -16.9 -113.5 0.8 129 1146 A T > + 0 0 62 -3,-0.2 2,-1.0 3,-0.1 3,-0.6 -0.507 47.4 19.9-105.1 172.6 -16.5 -110.8 -1.9 130 1147 A E T 3 S+ 0 0 171 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.105 126.0 37.0 67.0 -24.8 -17.8 -107.2 -2.3 131 1148 A E T 3> S+ 0 0 138 -2,-1.0 4,-1.2 3,-0.1 -1,-0.2 0.718 121.7 39.8-129.4 -49.2 -18.5 -106.4 1.4 132 1149 A E H <> S+ 0 0 48 -3,-0.6 4,-1.9 2,-0.2 5,-0.2 0.836 112.0 58.3 -72.0 -37.5 -15.8 -108.1 3.1 133 1150 A E H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.828 110.2 43.9 -62.0 -34.7 -13.2 -107.1 0.5 134 1151 A A H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.793 111.3 54.8 -76.7 -31.3 -14.0 -103.4 1.1 135 1152 A Q H X S+ 0 0 82 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.763 107.6 49.6 -72.7 -28.3 -14.0 -104.1 4.9 136 1153 A V H X S+ 0 0 13 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.883 110.1 50.6 -73.2 -42.2 -10.5 -105.6 4.6 137 1154 A R H < S+ 0 0 181 -4,-1.3 4,-0.4 1,-0.2 -2,-0.2 0.864 109.3 52.2 -61.2 -38.8 -9.4 -102.5 2.6 138 1155 A K H >< S+ 0 0 133 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.889 107.4 51.3 -63.8 -43.3 -10.8 -100.3 5.4 139 1156 A E H 3< S+ 0 0 45 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 115.7 42.1 -66.6 -24.0 -8.9 -102.2 8.1 140 1157 A N T >< S+ 0 0 33 -4,-1.1 3,-1.2 -3,-0.2 -1,-0.2 0.346 83.5 100.5-107.0 2.4 -5.6 -101.7 6.1 141 1158 A Q T < S+ 0 0 118 -3,-0.8 -1,-0.1 -4,-0.4 -2,-0.1 0.847 70.5 70.0 -50.5 -41.0 -6.3 -98.0 5.1 142 1159 A W T 3 0 0 31 -4,-0.3 -1,-0.2 -3,-0.2 54,-0.1 0.766 360.0 360.0 -53.4 -33.5 -3.9 -96.8 7.9 143 1160 A C < 0 0 62 -3,-1.2 -3,-0.0 21,-0.1 54,-0.0 -0.403 360.0 360.0 -77.5 360.0 -0.8 -98.1 6.1 144 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 145 2095 B V 0 0 91 0, 0.0 2,-0.6 0, 0.0 -64,-0.0 0.000 360.0 360.0 360.0 120.5 -1.3 -126.8 -9.0 146 2096 B S + 0 0 72 1,-0.1 3,-0.3 -65,-0.0 4,-0.2 -0.896 360.0 179.0-104.0 118.6 -3.3 -126.3 -5.8 147 2097 B W S S+ 0 0 9 -25,-0.7 3,-0.2 -2,-0.6 -1,-0.1 0.381 72.1 81.9 -95.7 1.2 -1.8 -124.1 -3.1 148 2098 B D S S+ 0 0 80 -25,-0.2 -1,-0.2 1,-0.2 -24,-0.0 0.703 86.6 57.3 -75.5 -22.8 -4.8 -124.5 -0.9 149 2099 B S S S+ 0 0 81 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.725 80.3 110.2 -78.3 -24.7 -3.4 -127.8 0.3 150 2100 B L S S- 0 0 0 -4,-0.2 5,-0.1 -3,-0.2 -3,-0.0 -0.335 78.4-108.0 -56.6 125.5 -0.2 -126.2 1.5 151 2101 B P >> - 0 0 37 0, 0.0 4,-1.5 0, 0.0 3,-0.9 -0.079 19.7-112.3 -63.2 155.8 -0.1 -126.2 5.3 152 2102 B D H 3> S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.897 115.1 55.9 -50.1 -51.0 -0.6 -123.1 7.6 153 2103 B E H 3> S+ 0 0 123 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.766 107.6 49.9 -56.5 -31.4 3.0 -123.1 8.8 154 2104 B L H <> S+ 0 0 5 -3,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.802 109.3 49.5 -81.4 -32.5 4.3 -123.0 5.2 155 2105 B L H X S+ 0 0 5 -4,-1.5 4,-3.4 -3,-0.5 3,-0.2 0.911 110.6 51.4 -67.5 -43.4 2.1 -120.1 4.3 156 2106 B L H X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.881 107.5 54.5 -56.5 -40.4 3.3 -118.3 7.4 157 2107 B G H < S+ 0 0 23 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.828 112.6 41.7 -62.4 -36.1 6.8 -119.1 6.2 158 2108 B I H >< S+ 0 0 2 -4,-1.3 3,-1.5 -3,-0.2 4,-0.2 0.902 113.6 52.2 -77.4 -45.0 6.1 -117.4 2.8 159 2109 B F H >< S+ 0 0 0 -4,-3.4 3,-2.4 1,-0.3 -2,-0.2 0.867 98.5 66.2 -56.1 -38.8 4.2 -114.5 4.5 160 2110 B S T 3< S+ 0 0 50 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.639 94.6 59.3 -62.7 -15.0 7.2 -113.9 6.8 161 2111 B C T < S+ 0 0 39 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.3 0.523 88.4 97.7 -88.0 -9.8 9.3 -112.9 3.7 162 2112 B L S < S- 0 0 5 -3,-2.4 2,-0.1 -4,-0.2 -54,-0.0 -0.638 75.1-125.2 -84.3 135.8 6.8 -110.1 2.9 163 2113 B C > - 0 0 48 -2,-0.3 4,-2.2 303,-0.1 5,-0.2 -0.339 42.4 -91.3 -66.1 160.7 7.4 -106.5 3.9 164 2114 B L H > S+ 0 0 0 303,-0.6 4,-1.7 301,-0.2 5,-0.2 0.842 123.5 42.4 -50.0 -54.0 4.6 -104.8 5.9 165 2115 B P H > S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.921 114.6 53.0 -64.6 -37.9 2.4 -103.3 3.1 166 2116 B E H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.853 107.2 53.4 -58.4 -38.2 2.9 -106.5 1.0 167 2117 B L H < S+ 0 0 1 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.861 108.3 48.4 -66.1 -37.9 1.7 -108.5 4.0 168 2118 B L H >< S+ 0 0 18 -4,-1.7 3,-0.9 -5,-0.2 4,-0.4 0.878 106.4 58.3 -72.7 -37.1 -1.5 -106.4 4.3 169 2119 B K H >< S+ 0 0 48 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.940 103.3 51.8 -50.5 -53.0 -2.2 -106.8 0.6 170 2120 B V T 3< S+ 0 0 0 -4,-1.6 3,-0.4 1,-0.3 4,-0.3 0.561 91.2 75.0 -71.6 -9.8 -2.3 -110.6 0.8 171 2121 B S T < S+ 0 0 6 -3,-0.9 2,-0.6 -4,-0.5 3,-0.3 0.713 87.3 66.6 -70.3 -20.8 -4.8 -110.6 3.7 172 2122 B G S < S+ 0 0 19 -3,-1.9 -1,-0.3 -4,-0.4 3,-0.1 -0.415 81.2 80.0 -96.7 54.6 -7.4 -109.6 1.0 173 2123 B V S S- 0 0 2 -2,-0.6 2,-0.3 1,-0.5 -46,-0.2 0.632 104.4 -26.6-122.3 -47.6 -7.2 -113.0 -0.9 174 2124 B C > - 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