==== 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 HYDROLASE 26-DEC-03 1RZO . COMPND 2 MOLECULE: AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR A.G.GABDOULKHAKOV,Y.SAVOCHKINA,N.KONAREVA,R.KRAUSPENHAAR,S.S . 1043 4 11 8 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 704 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 231 22.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 15 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 . 101 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 0 0 2 0 2 0 0 0 1 2 1 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 2 2 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 . 24 11 11 6 7 2 2 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 . 4 6 1 3 2 0 1 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 1004 A K 0 0 252 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 25.1 17.9 29.4 -18.9 2 1005 A Q - 0 0 135 1,-0.0 3,-0.1 3,-0.0 102,-0.1 -0.920 360.0-131.7-115.0 129.4 14.8 31.6 -19.2 3 1006 A Y - 0 0 21 -2,-0.5 2,-0.2 101,-0.1 52,-0.2 -0.141 39.2 -88.5 -65.6 165.5 13.7 34.3 -16.7 4 1007 A P - 0 0 64 0, 0.0 52,-3.5 0, 0.0 2,-0.5 -0.545 37.5-144.9 -80.4 145.2 10.1 34.5 -15.5 5 1008 A I E -a 56 0A 78 -2,-0.2 2,-0.4 50,-0.2 52,-0.2 -0.945 8.1-162.8-120.0 124.8 7.5 36.5 -17.4 6 1009 A I E -a 57 0A 8 50,-3.0 52,-2.2 -2,-0.5 2,-0.4 -0.855 23.4-139.1 -99.2 133.7 4.6 38.4 -15.8 7 1010 A N E +a 58 0A 102 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.764 27.6 162.3-105.1 143.0 1.9 39.2 -18.4 8 1011 A F E -a 59 0A 15 50,-1.9 52,-2.2 -2,-0.4 2,-0.4 -0.949 12.3-169.1-157.3 137.2 -0.2 42.4 -18.9 9 1012 A T E -a 60 0A 47 -2,-0.3 52,-0.2 50,-0.2 132,-0.1 -0.979 23.0-152.7-131.2 137.7 -2.3 43.9 -21.6 10 1013 A T > + 0 0 12 50,-2.2 3,-1.0 -2,-0.4 2,-0.9 0.473 69.1 113.2 -81.6 -2.7 -3.9 47.3 -22.1 11 1014 A A T 3 S- 0 0 37 1,-0.3 -2,-0.1 49,-0.2 3,-0.1 -0.617 106.3 -25.4 -75.6 106.0 -6.5 45.6 -24.1 12 1015 A D T 3 S- 0 0 166 -2,-0.9 -1,-0.3 1,-0.2 2,-0.2 0.941 95.5-179.6 52.6 48.8 -9.7 46.0 -22.1 13 1016 A A < - 0 0 20 -3,-1.0 2,-0.3 4,-0.1 -1,-0.2 -0.518 8.2-161.8 -79.1 149.2 -7.5 46.3 -19.0 14 1017 A T > - 0 0 65 -2,-0.2 4,-2.8 -3,-0.1 5,-0.3 -0.816 38.2-102.0-128.3 167.0 -9.2 46.7 -15.7 15 1018 A V H > S+ 0 0 10 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.788 126.3 51.1 -60.3 -22.4 -8.2 47.9 -12.2 16 1019 A E H > S+ 0 0 97 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.893 108.0 47.0 -80.4 -45.3 -8.2 44.2 -11.4 17 1020 A S H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.930 118.1 44.8 -63.6 -41.0 -6.0 43.1 -14.3 18 1021 A Y H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.952 112.8 49.8 -64.9 -50.6 -3.6 45.9 -13.5 19 1022 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.894 112.8 47.2 -54.3 -45.1 -3.7 45.2 -9.7 20 1023 A N H X S+ 0 0 98 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.845 110.7 53.8 -65.5 -36.7 -3.0 41.5 -10.3 21 1024 A F H X S+ 0 0 6 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.980 110.5 44.2 -61.8 -56.9 -0.2 42.5 -12.7 22 1025 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.840 115.2 48.5 -58.8 -37.1 1.6 44.8 -10.2 23 1026 A R H X S+ 0 0 93 -4,-2.1 4,-3.2 -5,-0.2 -1,-0.2 0.892 110.5 51.5 -71.6 -36.6 1.2 42.3 -7.4 24 1027 A A H X S+ 0 0 29 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.855 110.1 50.3 -65.5 -35.7 2.5 39.5 -9.7 25 1028 A V H X S+ 0 0 1 -4,-2.2 4,-0.7 2,-0.2 3,-0.3 0.945 113.5 43.7 -67.0 -48.9 5.4 41.7 -10.5 26 1029 A R H >X S+ 0 0 34 -4,-2.4 3,-1.4 1,-0.2 4,-0.8 0.917 107.4 61.5 -61.3 -42.7 6.1 42.3 -6.8 27 1030 A S H >< S+ 0 0 64 -4,-3.2 3,-0.5 1,-0.3 4,-0.5 0.873 108.2 43.3 -50.1 -42.3 5.6 38.7 -6.2 28 1031 A H H 3< S+ 0 0 68 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.531 111.8 52.4 -84.2 -8.5 8.5 37.9 -8.5 29 1032 A L H << S+ 0 0 1 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.395 114.5 43.2-103.1 -1.5 10.8 40.6 -7.1 30 1033 A T X< + 0 0 32 -4,-0.8 3,-3.8 -3,-0.5 4,-0.2 0.426 64.7 114.7-125.6 -0.1 10.3 39.5 -3.5 31 1034 A T T 3 + 0 0 119 -4,-0.5 -3,-0.1 1,-0.3 -1,-0.1 0.825 69.5 80.2 -41.3 -30.8 10.5 35.7 -3.5 32 1035 A G T 3 S- 0 0 59 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.712 91.8-147.0 -48.8 -27.1 13.6 36.5 -1.4 33 1036 A A < + 0 0 86 -3,-3.8 2,-0.5 1,-0.2 -2,-0.1 0.938 43.9 143.5 54.2 60.3 11.4 37.0 1.6 34 1037 A D + 0 0 46 7,-0.4 7,-2.6 -4,-0.2 2,-0.3 -0.881 22.9 175.9-128.7 94.1 13.3 39.8 3.4 35 1038 A V E -L 40 0B 81 -2,-0.5 2,-0.3 5,-0.2 -5,-0.0 -0.771 11.0-175.4-103.7 150.1 10.8 42.2 5.0 36 1039 A R E > S-L 39 0B 25 3,-2.5 3,-1.3 -2,-0.3 -2,-0.0 -0.925 75.7 -6.3-147.6 115.8 11.6 45.2 7.2 37 1040 A H T 3 S- 0 0 42 -2,-0.3 -1,-0.1 1,-0.3 178,-0.0 0.887 128.8 -61.1 64.9 37.8 9.1 47.3 8.9 38 1041 A E T 3 S+ 0 0 46 1,-0.2 -1,-0.3 441,-0.0 442,-0.1 0.463 117.4 115.3 68.1 4.0 6.5 45.3 7.0 39 1042 A I E < -L 36 0B 0 -3,-1.3 -3,-2.5 211,-0.0 -1,-0.2 -0.905 67.5-123.0-107.8 125.9 8.1 46.6 3.7 40 1043 A P E -L 35 0B 26 0, 0.0 211,-1.2 0, 0.0 2,-0.5 -0.335 18.8-140.2 -68.6 146.2 9.7 44.0 1.4 41 1044 A V B -m 251 0C 4 -7,-2.6 -7,-0.4 209,-0.2 211,-0.2 -0.925 16.9-121.1-112.4 128.6 13.3 44.4 0.4 42 1045 A L - 0 0 1 209,-3.7 211,-0.3 -2,-0.5 32,-0.1 -0.279 45.6 -80.5 -65.0 148.7 14.6 43.6 -3.1 43 1046 A P - 0 0 29 0, 0.0 210,-0.4 0, 0.0 2,-0.4 -0.058 55.1 -97.7 -47.3 147.1 17.2 40.9 -3.5 44 1047 A N - 0 0 55 1,-0.2 30,-0.1 -3,-0.1 210,-0.1 -0.583 24.8-149.8 -75.5 128.6 20.7 42.1 -2.8 45 1048 A R S > S+ 0 0 76 -2,-0.4 3,-2.8 208,-0.2 -1,-0.2 0.984 77.5 84.1 -55.8 -62.5 22.6 43.0 -6.0 46 1049 A V T 3 S+ 0 0 105 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 -0.181 110.6 1.4 -47.0 116.9 25.9 42.0 -4.6 47 1050 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.604 90.4 147.7 78.5 11.1 26.4 38.3 -5.0 48 1051 A L < - 0 0 36 -3,-2.8 -1,-0.3 -5,-0.1 2,-0.1 -0.716 52.5-117.3 -84.7 119.0 23.1 37.8 -6.8 49 1052 A P > - 0 0 54 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 -0.339 14.2-129.1 -59.4 126.7 23.4 35.0 -9.4 50 1053 A I G > S+ 0 0 55 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.844 106.1 70.9 -42.4 -41.0 22.8 36.2 -12.9 51 1054 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.802 110.4 30.0 -49.3 -34.2 20.3 33.4 -13.2 52 1055 A Q G < S+ 0 0 119 -3,-2.9 -1,-0.3 1,-0.1 -2,-0.2 -0.172 92.4 101.1-121.7 41.3 17.9 35.2 -10.9 53 1056 A R S < S+ 0 0 14 -3,-2.3 20,-1.9 -5,-0.1 21,-0.5 0.619 80.8 35.9 -97.7 -17.1 18.9 38.8 -11.7 54 1057 A F E - B 0 72A 3 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.926 52.4-163.6-138.1 159.9 15.9 39.7 -14.0 55 1058 A I E - B 0 71A 4 16,-1.6 16,-2.4 -2,-0.3 2,-0.4 -0.970 22.8-131.3-138.2 149.5 12.2 39.2 -14.6 56 1059 A L E -aB 5 70A 5 -52,-3.5 -50,-3.0 -2,-0.3 2,-0.6 -0.864 8.5-159.3-109.4 136.6 10.3 39.9 -17.8 57 1060 A V E -aB 6 69A 0 12,-2.2 12,-2.1 -2,-0.4 2,-0.6 -0.950 11.3-155.8-112.9 112.8 7.1 41.9 -18.3 58 1061 A E E -aB 7 68A 62 -52,-2.2 -50,-1.9 -2,-0.6 2,-0.5 -0.789 13.2-163.8 -86.9 125.4 5.3 41.0 -21.5 59 1062 A L E +aB 8 67A 0 8,-3.3 8,-1.8 -2,-0.6 2,-0.3 -0.945 10.6 177.4-116.8 128.3 3.2 43.9 -22.5 60 1063 A S E -aB 9 66A 30 -52,-2.2 -50,-2.2 -2,-0.5 2,-0.2 -0.776 5.7-169.7-119.9 165.3 0.4 43.6 -25.1 61 1064 A N > - 0 0 4 4,-0.9 3,-1.5 -2,-0.3 4,-0.1 -0.833 43.6 -78.6-145.4-174.7 -2.1 46.1 -26.4 62 1065 A H T 3 S+ 0 0 151 1,-0.3 -1,-0.0 -2,-0.2 79,-0.0 0.851 124.6 59.3 -54.3 -39.6 -5.3 46.7 -28.4 63 1066 A A T 3 S- 0 0 52 78,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.034 118.4-113.7 -79.7 25.7 -3.2 46.6 -31.6 64 1067 A E < + 0 0 180 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.829 68.7 145.7 41.8 46.2 -2.2 43.1 -30.6 65 1068 A L - 0 0 13 -4,-0.1 -4,-0.9 2,-0.0 2,-0.4 -0.762 31.8-160.0-108.9 156.0 1.4 44.1 -30.1 66 1069 A S E +B 60 0A 38 -2,-0.3 18,-0.5 -6,-0.2 2,-0.3 -0.975 14.1 170.8-145.3 129.7 3.9 42.9 -27.6 67 1070 A V E -B 59 0A 0 -8,-1.8 -8,-3.3 -2,-0.4 2,-0.5 -0.873 22.9-141.8-125.0 158.0 7.1 44.2 -26.1 68 1071 A T E -BC 58 82A 20 14,-1.8 14,-2.3 -2,-0.3 2,-0.3 -0.956 10.9-157.9-127.5 112.1 9.0 42.7 -23.2 69 1072 A L E -BC 57 81A 0 -12,-2.1 -12,-2.2 -2,-0.5 2,-0.5 -0.671 13.1-138.3 -86.9 144.4 10.6 45.0 -20.8 70 1073 A A E -BC 56 80A 0 10,-3.2 9,-3.2 -2,-0.3 10,-1.1 -0.899 20.2-162.9-103.4 130.1 13.5 43.6 -18.7 71 1074 A L E -BC 55 78A 0 -16,-2.4 -16,-1.6 -2,-0.5 2,-0.7 -0.937 20.0-124.4-119.0 141.1 13.5 44.6 -15.1 72 1075 A D E >> -B 54 0A 10 5,-2.4 4,-3.0 -2,-0.4 3,-1.9 -0.706 10.5-151.1 -81.6 113.4 16.3 44.4 -12.5 73 1076 A V T 34 S+ 0 0 8 -20,-1.9 -1,-0.2 -2,-0.7 -19,-0.1 0.777 96.2 68.6 -53.0 -24.5 15.2 42.3 -9.5 74 1077 A T T 34 S- 0 0 15 -21,-0.5 179,-0.4 1,-0.2 -1,-0.3 0.803 125.9 -2.5 -65.8 -35.0 17.6 44.6 -7.7 75 1078 A N T <4 S- 0 0 44 -3,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.297 89.1-116.7-144.6 11.9 15.6 47.8 -8.1 76 1079 A A < + 0 0 0 -4,-3.0 2,-0.2 1,-0.2 -3,-0.1 0.531 69.9 138.2 62.4 9.2 12.5 46.9 -10.2 77 1080 A Y - 0 0 29 -5,-0.4 -5,-2.4 95,-0.1 2,-0.5 -0.499 62.1-107.0 -87.3 153.8 13.7 49.2 -13.0 78 1081 A V E +C 71 0A 2 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.669 35.5 174.3 -79.9 125.6 13.5 48.6 -16.7 79 1082 A V E - 0 0 23 -9,-3.2 11,-2.6 -2,-0.5 2,-0.3 0.711 65.3 -15.1-100.6 -30.6 17.0 47.9 -18.0 80 1083 A G E -CD 70 89A 0 -10,-1.1 -10,-3.2 9,-0.2 2,-0.3 -0.929 56.6-137.3-159.5-178.6 16.0 47.0 -21.5 81 1084 A C E -CD 69 88A 0 7,-2.6 7,-2.3 -12,-0.3 2,-0.5 -0.993 6.5-148.0-152.8 144.8 13.2 46.1 -23.8 82 1085 A R E -C 68 0A 59 -14,-2.3 -14,-1.8 -2,-0.3 2,-0.9 -0.964 8.4-168.0-121.0 116.4 12.6 43.6 -26.6 83 1086 A A - 0 0 3 -2,-0.5 2,-1.0 3,-0.5 -16,-0.2 -0.759 59.2 -70.9-105.8 86.4 10.3 44.6 -29.4 84 1087 A G S S- 0 0 29 -2,-0.9 64,-0.0 -18,-0.5 -17,-0.0 -0.571 121.7 -2.0 73.7-103.0 9.6 41.5 -31.5 85 1088 A N S S+ 0 0 123 -2,-1.0 25,-0.5 23,-0.1 2,-0.3 -0.153 125.7 77.3-113.6 33.2 12.8 40.7 -33.3 86 1089 A S E - e 0 110A 0 -3,-0.1 -3,-0.5 23,-0.1 2,-0.3 -0.921 55.8-173.8-135.6 157.9 14.6 43.7 -31.9 87 1090 A A E + e 0 111A 0 23,-1.4 25,-2.4 -2,-0.3 2,-0.4 -0.841 4.3 177.4-159.8 117.4 16.1 44.3 -28.5 88 1091 A Y E -De 81 112A 1 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.3 -0.941 7.3-163.8-125.7 148.5 17.6 47.4 -27.1 89 1092 A F E -De 80 113A 12 23,-1.4 25,-2.5 -2,-0.4 -9,-0.2 -0.817 24.2-108.5-125.1 164.4 19.0 48.2 -23.7 90 1093 A F - 0 0 12 -11,-2.6 27,-0.3 -2,-0.3 25,-0.0 -0.460 49.0 -90.7 -83.8 164.6 19.9 51.4 -21.7 91 1094 A H - 0 0 85 25,-3.1 27,-0.2 -2,-0.1 24,-0.1 -0.717 48.9-125.8 -81.9 114.4 23.5 52.2 -21.2 92 1095 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.159 4.6-132.2 -55.7 148.8 24.5 50.6 -17.9 93 1096 A D S S+ 0 0 132 1,-0.1 2,-0.3 2,-0.0 3,-0.1 0.426 83.6 19.4 -86.2 2.4 26.0 52.7 -15.1 94 1097 A N S > S- 0 0 53 1,-0.1 4,-2.7 0, 0.0 3,-0.4 -0.984 77.6-107.2-167.5 156.3 28.8 50.2 -14.5 95 1098 A Q H > S+ 0 0 111 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.842 114.3 63.9 -52.8 -35.7 30.8 47.3 -15.8 96 1099 A E H > S+ 0 0 124 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.926 112.1 29.7 -55.6 -56.0 29.0 45.1 -13.3 97 1100 A D H > S+ 0 0 25 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.857 110.7 68.1 -73.6 -40.1 25.5 45.6 -14.8 98 1101 A A H < S+ 0 0 32 -4,-2.7 4,-0.4 1,-0.3 -1,-0.2 0.859 104.0 46.2 -46.6 -40.0 26.8 46.1 -18.3 99 1102 A E H >< S+ 0 0 102 -4,-1.6 3,-0.7 -5,-0.2 -1,-0.3 0.892 110.9 52.7 -70.5 -43.8 27.8 42.4 -18.2 100 1103 A A H >< S+ 0 0 2 -4,-1.1 3,-1.4 1,-0.2 -2,-0.2 0.919 100.2 58.3 -61.2 -47.7 24.5 41.3 -16.7 101 1104 A I G >< S+ 0 0 11 -4,-2.6 3,-1.2 1,-0.3 4,-0.4 0.675 92.2 72.1 -59.1 -17.6 22.2 42.9 -19.4 102 1105 A T G < S+ 0 0 74 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.151 88.7 62.6 -84.3 19.6 24.0 40.9 -22.0 103 1106 A H G < S+ 0 0 68 -3,-1.4 3,-0.3 -53,-0.0 -1,-0.2 0.331 89.7 79.7-119.1 -2.4 22.2 37.8 -20.6 104 1107 A L S < S+ 0 0 9 -3,-1.2 2,-1.1 1,-0.2 3,-0.2 0.982 101.5 7.8 -73.8 -87.3 18.8 39.2 -21.5 105 1108 A F S S+ 0 0 16 -4,-0.4 -1,-0.2 1,-0.2 3,-0.2 -0.732 74.2 152.8-104.6 86.1 17.7 38.9 -25.1 106 1109 A T + 0 0 104 -2,-1.1 -1,-0.2 -3,-0.3 5,-0.1 0.808 64.0 56.7 -84.6 -35.8 20.4 36.7 -26.5 107 1110 A D S S+ 0 0 130 -3,-0.2 2,-0.7 1,-0.0 -1,-0.2 0.539 87.8 99.2 -75.7 -2.8 18.7 34.9 -29.4 108 1111 A V > - 0 0 8 -3,-0.2 3,-0.8 1,-0.2 -3,-0.1 -0.763 57.3-166.0 -89.5 111.3 17.9 38.4 -30.8 109 1112 A Q T 3 S+ 0 0 92 -2,-0.7 2,-1.1 1,-0.3 530,-0.4 0.928 84.7 54.6 -60.5 -51.3 20.3 39.4 -33.5 110 1113 A N E 3 S+e 86 0A 28 -25,-0.5 -23,-1.4 528,-0.1 2,-0.4 -0.095 78.8 134.0 -79.5 39.5 19.4 43.1 -33.7 111 1114 A S E < +e 87 0A 9 -2,-1.1 528,-1.6 -3,-0.8 529,-0.3 -0.785 23.7 143.7 -91.6 133.9 20.0 43.5 -30.0 112 1115 A F E -eF 88 638A 6 -25,-2.4 -23,-1.4 -2,-0.4 2,-0.4 -0.935 39.2-123.1-156.5 171.7 22.0 46.6 -29.1 113 1116 A T E -eF 89 637A 31 524,-1.8 524,-2.5 -2,-0.3 -23,-0.2 -0.984 21.5-122.1-132.2 143.0 22.3 49.2 -26.4 114 1117 A F E - F 0 636A 2 -25,-2.5 522,-0.2 -2,-0.4 520,-0.1 -0.086 21.1-119.3 -72.3 175.8 22.1 53.0 -26.5 115 1118 A A S S+ 0 0 62 520,-1.5 2,-0.3 518,-0.3 521,-0.1 0.587 94.1 74.2 -90.1 -16.7 24.6 55.4 -25.3 116 1119 A F S S- 0 0 17 519,-0.3 -25,-3.1 517,-0.1 -2,-0.2 -0.700 78.7-128.3 -99.9 151.5 22.2 56.9 -22.8 117 1120 A G - 0 0 7 -27,-0.3 6,-0.1 -2,-0.3 -2,-0.1 -0.450 22.4-112.2 -90.2 170.4 21.1 55.3 -19.6 118 1121 A G S S+ 0 0 7 -27,-0.2 -40,-0.1 -2,-0.1 2,-0.1 0.274 71.8 120.5 -88.7 11.4 17.6 54.7 -18.4 119 1122 A N S > S- 0 0 58 1,-0.1 4,-2.7 4,-0.0 3,-0.4 -0.402 74.2-115.8 -74.3 153.7 17.5 57.2 -15.5 120 1123 A Y H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.874 112.9 65.2 -55.4 -40.6 15.0 60.0 -15.5 121 1124 A D H > S+ 0 0 136 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.941 114.0 32.1 -46.5 -54.5 17.7 62.6 -15.6 122 1125 A R H >> S+ 0 0 95 -3,-0.4 4,-2.6 2,-0.2 3,-1.0 0.958 118.5 52.2 -66.5 -57.0 18.7 61.2 -19.1 123 1126 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 5,-0.2 0.768 110.2 50.2 -52.9 -30.2 15.2 60.1 -20.3 124 1127 A E H 3X S+ 0 0 33 -4,-3.1 4,-1.7 -5,-0.3 -1,-0.3 0.744 108.4 52.3 -80.6 -26.7 13.8 63.6 -19.4 125 1128 A Q H << S+ 0 0 107 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.945 117.2 39.5 -70.1 -49.0 16.7 65.2 -21.4 126 1129 A L H < S+ 0 0 12 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.927 138.1 12.1 -64.9 -50.8 15.8 63.0 -24.3 127 1130 A G H < S- 0 0 9 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.560 106.8-101.6-112.3 -7.5 12.0 63.2 -24.0 128 1131 A G < - 0 0 29 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.394 57.1 -27.4 111.8 169.1 11.0 65.9 -21.5 129 1132 A L > - 0 0 74 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.280 42.9-135.2 -63.2 137.8 9.8 66.3 -17.9 130 1133 A R G > S+ 0 0 13 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.865 107.1 67.1 -57.6 -35.6 7.9 63.5 -16.2 131 1134 A E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 64,-0.1 64,-0.1 0.510 104.8 43.0 -64.7 -3.6 5.6 66.2 -15.0 132 1135 A N G < S+ 0 0 113 -3,-2.4 2,-0.7 62,-0.1 -1,-0.3 0.329 91.4 95.3-122.6 3.3 4.5 66.6 -18.6 133 1136 A I S < S- 0 0 15 -3,-1.8 61,-0.1 -4,-0.3 -1,-0.0 -0.861 72.8-130.4-104.9 109.2 4.2 63.0 -19.7 134 1137 A E - 0 0 97 -2,-0.7 2,-0.3 61,-0.2 61,-0.3 -0.196 20.6-159.9 -59.4 139.6 0.7 61.6 -19.4 135 1138 A L B +N 194 0D 0 59,-4.5 59,-3.5 4,-0.1 2,-0.2 -0.890 37.3 88.7-120.6 152.3 0.1 58.3 -17.7 136 1139 A G S > S- 0 0 0 -2,-0.3 4,-2.1 57,-0.3 5,-0.3 -0.790 90.3 -61.4 146.1 174.1 -2.8 55.9 -18.0 137 1140 A T H > S+ 0 0 27 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.864 129.3 60.0 -55.0 -36.6 -3.9 53.0 -20.1 138 1141 A G H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.983 107.7 39.1 -57.0 -65.0 -3.9 55.3 -23.1 139 1142 A P H > S+ 0 0 13 0, 0.0 4,-3.7 0, 0.0 5,-0.3 0.939 115.8 52.3 -52.8 -50.7 -0.2 56.3 -23.0 140 1143 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.866 106.3 55.3 -54.6 -36.1 0.9 52.8 -22.0 141 1144 A E H X S+ 0 0 29 -4,-2.1 4,-1.0 -3,-0.4 -1,-0.2 0.945 117.3 35.0 -59.9 -47.7 -1.1 51.5 -25.0 142 1145 A D H X S+ 0 0 83 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.803 111.2 60.4 -75.2 -36.5 0.9 53.8 -27.4 143 1146 A A H X S+ 0 0 4 -4,-3.7 4,-2.6 -5,-0.2 -1,-0.2 0.894 105.9 51.0 -59.2 -39.4 4.1 53.6 -25.5 144 1147 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.861 110.3 48.0 -65.4 -39.7 4.0 49.8 -26.3 145 1148 A S H X S+ 0 0 28 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.961 112.0 48.9 -64.7 -53.7 3.4 50.5 -30.0 146 1149 A A H X S+ 0 0 14 -4,-3.1 4,-0.7 1,-0.2 3,-0.3 0.966 111.3 49.3 -48.0 -62.5 6.2 53.0 -30.1 147 1150 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.886 111.7 52.0 -45.1 -44.7 8.6 50.6 -28.4 148 1151 A Y H 3< S+ 0 0 69 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.916 115.4 37.8 -61.5 -45.9 7.4 47.9 -30.9 149 1152 A Y H ><>S+ 0 0 106 -4,-2.6 5,-2.9 -3,-0.3 3,-0.7 0.218 85.7 98.3 -93.7 14.8 8.1 50.0 -34.0 150 1153 A Y G X<5S+ 0 0 21 -3,-0.9 3,-1.8 -4,-0.7 5,-0.2 0.948 81.5 55.0 -65.9 -45.2 11.3 51.7 -32.9 151 1154 A S G 3 5S+ 0 0 24 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.618 107.7 52.2 -61.5 -13.6 13.4 49.1 -34.8 152 1155 A T G < 5S- 0 0 80 -3,-0.7 -1,-0.3 -4,-0.1 -2,-0.2 -0.071 122.1-102.9-114.8 31.1 11.4 50.0 -37.9 153 1156 A a T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.732 91.0 121.0 55.5 27.3 11.9 53.8 -37.7 154 1157 A G < + 0 0 54 -5,-2.9 2,-0.5 -8,-0.2 -4,-0.3 0.754 64.6 57.8 -86.6 -24.7 8.4 54.2 -36.4 155 1158 A T S S- 0 0 12 -6,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.925 70.4-143.9-120.2 128.3 9.7 55.8 -33.2 156 1159 A Q > - 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