==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-SEP-00 1FX2 . COMPND 2 MOLECULE: RECEPTOR-TYPE ADENYLATE CYCLASE GRESAG 4.1; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR B.BIEGER,L.-O.ESSEN . 235 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 0 2 0 0 0 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 888 A N > 0 0 129 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 72.1 22.3 18.5 -5.6 2 889 A N G > + 0 0 53 1,-0.3 3,-1.3 2,-0.2 53,-0.0 0.637 360.0 88.1 -68.5 -9.6 25.9 17.8 -6.4 3 890 A N G 3 S+ 0 0 98 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.848 86.4 48.9 -57.3 -32.2 25.1 19.7 -9.6 4 891 A R G < S+ 0 0 71 -3,-1.4 65,-0.3 50,-0.1 -1,-0.3 0.594 85.7 110.6 -87.4 -8.0 26.0 23.0 -8.0 5 892 A A S < S- 0 0 0 -3,-1.3 2,-0.2 -4,-0.3 63,-0.1 -0.453 78.5-116.7 -69.3 127.2 29.3 21.7 -6.6 6 893 A P + 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.518 47.5 162.1 -61.2 126.0 32.4 23.3 -8.2 7 894 A K + 0 0 76 -2,-0.2 138,-0.1 -4,-0.1 -2,-0.0 0.528 36.6 95.2-125.5 -12.5 34.1 20.3 -9.9 8 895 A E > - 0 0 86 1,-0.1 3,-2.0 4,-0.1 -1,-0.1 -0.762 60.1-152.3 -89.1 117.2 36.5 21.5 -12.6 9 896 A P T 3 S+ 0 0 76 0, 0.0 134,-0.3 0, 0.0 -1,-0.1 0.745 92.5 55.1 -58.4 -28.1 40.0 21.8 -11.1 10 897 A T T 3 S+ 0 0 101 132,-0.1 132,-0.1 2,-0.1 -2,-0.0 0.442 92.3 82.2 -88.3 0.6 41.1 24.5 -13.4 11 898 A D S < S- 0 0 95 -3,-2.0 132,-0.3 132,-0.1 130,-0.1 -0.896 88.3-116.2-103.9 126.6 38.2 26.8 -12.5 12 899 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 130,-0.2 -0.349 27.0-139.1 -60.2 146.4 38.8 28.8 -9.3 13 900 A V E -A 141 0A 1 128,-2.7 128,-2.2 -4,-0.1 2,-0.5 -0.880 3.0-141.5-107.1 137.6 36.3 28.0 -6.4 14 901 A T E -AB 140 68A 1 54,-2.1 54,-2.2 -2,-0.4 2,-0.4 -0.907 22.0-164.8-100.0 120.4 34.8 30.7 -4.2 15 902 A L E -AB 139 67A 0 124,-2.9 124,-1.9 -2,-0.5 2,-0.4 -0.933 7.6-166.4-109.6 140.2 34.6 29.5 -0.6 16 903 A I E -AB 138 66A 0 50,-2.8 50,-2.9 -2,-0.4 2,-0.4 -0.984 3.1-170.6-122.9 127.8 32.5 31.1 2.1 17 904 A F E -AB 137 65A 5 120,-2.3 120,-2.2 -2,-0.4 2,-0.3 -0.957 8.3-175.0-115.4 142.0 33.0 30.2 5.8 18 905 A T E +AB 136 64A 0 46,-2.0 46,-1.0 -2,-0.4 2,-0.3 -0.977 8.0 174.1-134.6 153.6 30.5 31.4 8.5 19 906 A D E -A 135 0A 14 116,-1.9 116,-2.9 -2,-0.3 2,-0.5 -0.991 36.4-115.2-153.4 147.8 30.3 31.3 12.2 20 907 A I E > -A 134 0A 2 -2,-0.3 3,-1.0 114,-0.2 2,-0.3 -0.724 43.0-122.7 -77.3 122.2 28.1 32.7 14.9 21 908 A E T 3 S+ 0 0 9 112,-3.1 112,-0.3 -2,-0.5 151,-0.0 -0.580 90.6 8.2 -68.4 141.4 30.4 35.1 17.0 22 909 A S T 3> S+ 0 0 26 -2,-0.3 4,-2.4 3,-0.1 -1,-0.2 0.785 77.0 156.8 60.2 35.1 30.6 34.1 20.7 23 910 A S H <> + 0 0 22 -3,-1.0 4,-2.7 1,-0.2 5,-0.3 0.914 68.8 53.6 -58.5 -40.7 28.7 30.9 20.2 24 911 A T H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.956 112.4 43.4 -56.7 -52.0 30.2 29.3 23.5 25 912 A A H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 112.7 51.2 -67.6 -34.0 29.1 32.2 25.6 26 913 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.896 109.5 49.2 -67.3 -41.5 25.7 32.5 24.1 27 914 A W H < S+ 0 0 105 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.880 111.9 51.8 -65.2 -34.1 25.0 28.7 24.6 28 915 A A H < S+ 0 0 81 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.908 118.2 35.6 -69.5 -39.9 26.1 29.1 28.2 29 916 A A H < S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 130.3 29.2 -80.0 -29.1 23.9 32.1 28.9 30 917 A H >X + 0 0 31 -4,-2.8 4,-2.5 -5,-0.2 3,-1.4 -0.405 61.8 151.1-134.4 60.1 20.9 31.0 26.8 31 918 A P T 34 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.796 79.0 52.1 -66.8 -20.2 20.6 27.3 26.6 32 919 A D T 34 S+ 0 0 151 -3,-0.1 4,-0.2 1,-0.1 -2,-0.1 0.587 116.7 38.4 -91.4 -4.3 16.9 27.4 26.2 33 920 A L T <> S+ 0 0 58 -3,-1.4 4,-2.3 -6,-0.1 3,-0.2 0.753 100.4 71.3-112.4 -31.4 17.0 29.9 23.3 34 921 A M H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.4 0.860 89.8 58.0 -64.1 -40.3 20.0 28.7 21.3 35 922 A P H > S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.967 114.4 38.3 -53.8 -45.8 18.6 25.5 19.8 36 923 A D H > S+ 0 0 126 -4,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.903 117.3 51.0 -72.9 -33.8 15.8 27.3 18.2 37 924 A A H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.919 113.2 44.4 -69.6 -41.4 17.9 30.3 17.2 38 925 A V H X S+ 0 0 16 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.894 110.6 54.4 -71.3 -38.3 20.6 28.2 15.6 39 926 A A H X S+ 0 0 43 -4,-2.2 4,-2.2 -5,-0.4 -1,-0.2 0.930 109.8 48.1 -58.7 -36.8 18.0 26.0 13.8 40 927 A A H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.885 108.5 55.2 -68.5 -40.4 16.5 29.2 12.4 41 928 A H H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.921 109.0 47.3 -53.1 -50.7 20.1 30.3 11.4 42 929 A H H X S+ 0 0 28 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.893 110.0 51.8 -62.7 -40.0 20.5 27.1 9.5 43 930 A R H X S+ 0 0 159 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.938 112.9 45.3 -62.3 -42.0 17.2 27.4 7.7 44 931 A M H X S+ 0 0 27 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.937 114.4 47.7 -66.5 -45.3 18.0 30.9 6.5 45 932 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.936 113.8 48.1 -61.1 -44.0 21.6 30.1 5.4 46 933 A R H X S+ 0 0 112 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.876 107.2 55.4 -68.5 -32.9 20.3 27.0 3.5 47 934 A S H X S+ 0 0 73 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.894 111.5 45.2 -61.0 -42.3 17.5 29.0 1.9 48 935 A L H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 6,-0.2 0.837 105.9 58.8 -68.1 -39.5 20.2 31.3 0.6 49 936 A I H <>S+ 0 0 12 -4,-2.2 5,-2.3 2,-0.2 -2,-0.2 0.953 112.9 41.6 -56.6 -41.2 22.5 28.5 -0.5 50 937 A G H ><5S+ 0 0 29 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.946 112.0 53.5 -72.7 -40.6 19.7 27.3 -2.8 51 938 A R H 3<5S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 115.6 40.0 -58.5 -43.3 18.6 30.8 -3.9 52 939 A Y T 3<5S- 0 0 42 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.270 110.2-120.2 -93.7 10.1 22.2 31.6 -5.1 53 940 A K T < 5 + 0 0 141 -3,-1.6 16,-0.4 -4,-0.2 -3,-0.2 0.842 63.9 143.9 57.1 32.9 22.9 28.1 -6.5 54 941 A C < - 0 0 4 -5,-2.3 2,-0.5 -6,-0.2 14,-0.2 -0.370 47.0-116.5 -89.4-174.6 25.8 27.5 -4.2 55 942 A Y E -C 67 0A 22 12,-2.6 12,-2.9 -51,-0.2 2,-0.8 -0.978 9.4-135.1-134.5 125.9 26.8 24.2 -2.6 56 943 A E E -C 66 0A 57 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.685 22.1-179.4 -77.1 118.2 26.9 23.3 1.1 57 944 A V E - 0 0 22 8,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.944 60.6 -40.1 -81.8 -55.8 30.2 21.5 1.6 58 945 A K E -C 65 0A 67 7,-1.4 7,-2.1 2,-0.0 2,-0.4 -0.977 44.1-142.1-164.4 161.8 29.7 20.8 5.3 59 946 A T E -C 64 0A 36 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.998 10.4-175.0-130.4 140.0 28.5 22.2 8.6 60 947 A V E > S-C 63 0A 82 3,-2.3 3,-2.5 -2,-0.4 2,-0.3 -0.975 70.3 -43.0-130.3 112.7 30.1 21.7 12.0 61 948 A G T 3 S- 0 0 64 -2,-0.4 -42,-0.0 1,-0.3 0, 0.0 -0.510 125.2 -27.0 64.2-129.6 28.1 23.2 14.8 62 949 A D T 3 S+ 0 0 15 -2,-0.3 2,-0.6 -42,-0.1 -1,-0.3 0.385 114.3 110.9 -99.1 9.3 27.0 26.5 13.6 63 950 A S E < - C 0 60A 19 -3,-2.5 -3,-2.3 -44,-0.1 2,-0.3 -0.705 51.2-162.4 -85.5 123.8 30.0 26.8 11.2 64 951 A F E -BC 18 59A 0 -46,-1.0 -46,-2.0 -2,-0.6 2,-0.5 -0.770 11.6-164.6-101.7 144.6 29.1 26.6 7.5 65 952 A M E +BC 17 58A 6 -7,-2.1 -8,-2.3 -2,-0.3 -7,-1.4 -0.990 20.3 179.2-122.7 120.4 31.6 25.9 4.6 66 953 A I E -BC 16 56A 0 -50,-2.9 -50,-2.8 -2,-0.5 2,-0.3 -0.946 13.2-157.6-127.5 136.5 29.9 26.8 1.3 67 954 A A E -BC 15 55A 0 -12,-2.9 -12,-2.6 -2,-0.4 2,-0.4 -0.881 8.2-171.1-114.1 150.7 31.3 26.6 -2.3 68 955 A S E -B 14 0A 2 -54,-2.2 -54,-2.1 -2,-0.3 -14,-0.1 -0.999 27.9-150.5-141.7 137.0 30.2 28.5 -5.3 69 956 A K S S+ 0 0 120 -16,-0.4 -1,-0.1 -2,-0.4 -15,-0.1 0.670 93.3 59.0 -72.5 -13.0 31.1 28.3 -9.1 70 957 A S > - 0 0 51 1,-0.2 4,-1.5 -56,-0.1 5,-0.2 -0.944 67.8-156.9-122.0 125.4 30.4 32.0 -9.2 71 958 A P H > S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.923 97.5 51.7 -66.5 -39.3 32.3 34.6 -7.1 72 959 A F H > S+ 0 0 37 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.904 106.0 54.4 -68.8 -34.2 29.3 37.2 -7.4 73 960 A A H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 108.1 49.7 -65.1 -37.6 26.8 34.6 -6.2 74 961 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.893 111.5 48.2 -66.2 -41.9 28.9 34.0 -3.1 75 962 A V H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.923 111.9 49.9 -65.0 -42.4 29.1 37.7 -2.4 76 963 A Q H X S+ 0 0 61 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.908 108.9 52.2 -62.7 -38.2 25.3 38.1 -2.9 77 964 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.921 110.7 48.0 -61.5 -47.7 24.7 35.2 -0.6 78 965 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.914 111.8 49.2 -64.2 -39.6 26.9 36.8 2.2 79 966 A Q H X S+ 0 0 43 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.934 114.0 45.8 -63.1 -45.4 25.2 40.2 1.7 80 967 A E H X S+ 0 0 60 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.769 106.6 59.4 -70.6 -21.3 21.7 38.5 2.0 81 968 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 5,-0.3 0.979 108.5 44.0 -71.1 -49.4 22.8 36.5 4.9 82 969 A Q H X S+ 0 0 5 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.926 117.0 47.2 -61.4 -43.0 23.5 39.7 6.9 83 970 A L H X S+ 0 0 32 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.943 113.0 44.8 -67.8 -47.4 20.3 41.4 5.7 84 971 A C H X S+ 0 0 32 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.822 111.6 53.3 -71.1 -28.4 17.9 38.5 6.4 85 972 A F H < S+ 0 0 4 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.925 109.7 49.0 -65.8 -37.1 19.4 37.9 9.8 86 973 A L H < S+ 0 0 20 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.914 114.9 45.8 -64.7 -36.7 18.9 41.6 10.6 87 974 A H H < S+ 0 0 136 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.795 90.9 104.7 -80.5 -21.2 15.3 41.3 9.4 88 975 A H S < S- 0 0 58 -4,-1.9 2,-0.9 -5,-0.2 3,-0.0 -0.225 72.8-127.3 -63.6 141.7 14.4 38.1 11.2 89 976 A D - 0 0 136 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.781 24.3-176.1 -90.9 106.5 12.2 38.1 14.3 90 977 A W - 0 0 28 -2,-0.9 -1,-0.2 2,-0.2 -50,-0.1 0.539 33.8-130.6 -80.3 -10.7 14.3 36.2 16.8 91 978 A G S S+ 0 0 69 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.565 78.8 63.7 70.9 16.5 11.6 36.5 19.4 92 979 A T - 0 0 38 1,-0.0 4,-0.2 -59,-0.0 -2,-0.2 -0.975 59.7-153.5-163.1 152.4 13.9 37.7 22.1 93 980 A N S > S+ 0 0 113 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 0.357 78.2 97.1-105.7 4.6 16.3 40.7 22.9 94 981 A A H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.823 79.7 49.5 -65.8 -36.1 18.4 38.4 25.1 95 982 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 112.4 48.2 -68.7 -39.8 21.0 37.7 22.4 96 983 A D H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.911 110.5 52.5 -65.3 -41.6 21.4 41.5 21.6 97 984 A D H X S+ 0 0 72 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.931 108.8 50.6 -61.2 -40.9 21.7 42.2 25.3 98 985 A S H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.950 110.2 48.0 -63.2 -45.1 24.5 39.6 25.6 99 986 A Y H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.876 112.3 49.6 -62.3 -42.0 26.5 41.1 22.7 100 987 A R H X S+ 0 0 45 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 111.0 48.9 -61.6 -43.7 26.2 44.6 24.1 101 988 A E H X S+ 0 0 100 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.880 108.1 54.9 -62.0 -42.2 27.3 43.5 27.6 102 989 A F H X S+ 0 0 47 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.923 108.0 49.3 -57.7 -42.6 30.3 41.7 26.1 103 990 A E H X S+ 0 0 4 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.930 109.0 51.6 -63.0 -42.1 31.3 44.9 24.3 104 991 A E H < S+ 0 0 85 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.957 113.9 44.0 -61.6 -43.1 31.1 46.9 27.5 105 992 A Q H >X S+ 0 0 138 -4,-2.7 3,-1.8 1,-0.2 4,-0.8 0.889 108.1 57.2 -68.5 -37.4 33.2 44.4 29.4 106 993 A R H 3X S+ 0 0 65 -4,-2.4 4,-1.3 1,-0.3 3,-0.3 0.838 94.5 67.6 -61.9 -26.6 35.7 44.1 26.6 107 994 A A H 3< S+ 0 0 34 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.643 93.4 61.1 -70.1 -10.7 36.2 47.9 26.8 108 995 A E H <4 S+ 0 0 163 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.933 113.1 33.1 -78.6 -44.6 37.9 47.3 30.3 109 996 A G H < S+ 0 0 73 -4,-0.8 2,-0.5 -3,-0.3 -2,-0.2 0.485 116.6 55.0 -89.1 -15.1 40.7 45.1 28.9 110 997 A E < - 0 0 87 -4,-1.3 -1,-0.1 3,-0.1 0, 0.0 -0.999 59.5-178.0-120.1 114.1 41.3 46.7 25.5 111 998 A C S S+ 0 0 132 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.502 87.9 55.7 -88.4 -10.5 41.9 50.5 26.1 112 999 A E S S+ 0 0 167 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.455 95.8 92.2 -93.9 -7.5 42.1 50.9 22.3 113 1000 A Y - 0 0 25 -7,-0.2 -3,-0.1 -6,-0.1 112,-0.0 -0.778 51.4-177.8 -96.4 131.7 38.6 49.4 22.1 114 1001 A T - 0 0 113 -2,-0.4 -10,-0.1 -8,-0.0 -3,-0.0 -0.985 41.3-103.0-123.0 133.6 35.3 51.4 22.2 115 1002 A P - 0 0 20 0, 0.0 4,-0.3 0, 0.0 -15,-0.0 -0.334 28.7-158.6 -57.0 125.9 32.0 49.5 22.1 116 1003 A P S S+ 0 0 39 0, 0.0 107,-0.1 0, 0.0 -16,-0.1 0.855 83.5 7.8 -75.1 -31.4 30.7 49.8 18.5 117 1004 A T S > S+ 0 0 1 -18,-0.1 3,-1.9 -17,-0.1 -17,-0.1 0.656 100.7 89.7-124.7 -16.1 27.0 49.0 19.5 118 1005 A A T 3 S+ 0 0 14 1,-0.3 -18,-0.1 -18,-0.2 -1,-0.0 0.729 95.6 41.1 -64.2 -23.5 26.4 48.9 23.2 119 1006 A H T 3 S+ 0 0 139 -4,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.231 83.3 124.5-109.7 12.7 25.7 52.5 23.6 120 1007 A M S < S- 0 0 49 -3,-1.9 -3,-0.0 1,-0.1 5,-0.0 -0.565 70.9-107.6 -69.3 134.2 23.6 53.1 20.6 121 1008 A D > - 0 0 95 -2,-0.3 4,-3.0 1,-0.1 3,-0.4 -0.245 36.2-111.7 -50.9 142.7 20.1 54.5 21.2 122 1009 A P H > S+ 0 0 89 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.831 117.3 56.1 -54.3 -31.3 17.6 51.7 20.5 123 1010 A E H > S+ 0 0 126 1,-0.2 4,-0.9 2,-0.2 -2,-0.0 0.935 113.8 39.9 -70.8 -36.4 16.2 53.4 17.4 124 1011 A V H >> S+ 0 0 58 -3,-0.4 3,-0.6 1,-0.2 4,-0.6 0.941 116.1 51.3 -71.9 -50.9 19.7 53.5 15.9 125 1012 A Y H >X S+ 0 0 8 -4,-3.0 4,-2.7 1,-0.2 3,-1.8 0.921 105.4 53.8 -56.3 -48.3 20.7 50.1 17.1 126 1013 A S H 3< S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.770 104.0 55.7 -64.0 -21.6 17.6 48.2 15.8 127 1014 A R H << S+ 0 0 154 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.664 122.3 28.4 -80.8 -10.7 18.1 49.5 12.2 128 1015 A L H << S+ 0 0 17 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.680 121.5 33.2-120.0 -24.6 21.7 48.1 12.3 129 1016 A W < + 0 0 7 -4,-2.7 -1,-0.3 -5,-0.1 2,-0.2 -0.993 51.1 150.4-146.3 141.7 21.8 45.0 14.6 130 1017 A N - 0 0 43 -2,-0.3 -42,-0.1 1,-0.1 2,-0.1 -0.729 53.7 -24.6-172.9 123.2 19.5 42.3 15.7 131 1018 A G S S+ 0 0 0 -2,-0.2 -1,-0.1 -39,-0.1 2,-0.1 -0.364 105.2 13.9 77.2-156.2 20.0 38.7 16.8 132 1019 A L - 0 0 5 -47,-0.1 2,-0.6 -2,-0.1 -2,-0.1 -0.383 67.8-141.5 -59.1 136.1 22.8 36.3 16.1 133 1020 A R - 0 0 13 -112,-0.3 -112,-3.1 -2,-0.1 2,-0.5 -0.890 18.6-162.3-104.6 115.9 25.9 38.1 14.7 134 1021 A V E -A 20 0A 1 -2,-0.6 40,-1.5 -114,-0.2 2,-0.3 -0.847 7.1-148.7-106.7 128.8 27.5 35.9 12.0 135 1022 A R E -A 19 0A 13 -116,-2.9 -116,-1.9 -2,-0.5 2,-0.4 -0.766 18.7-167.5 -91.5 143.9 31.1 36.5 10.8 136 1023 A V E -Ad 18 176A 0 39,-2.0 41,-2.7 -2,-0.3 2,-0.4 -0.999 12.6-170.6-136.8 139.3 31.8 35.6 7.2 137 1024 A G E -Ad 17 177A 0 -120,-2.2 -120,-2.3 -2,-0.4 2,-0.4 -0.992 6.3-169.3-127.7 145.7 35.0 35.2 5.1 138 1025 A I E +Ad 16 178A 0 39,-2.2 41,-2.1 -2,-0.4 2,-0.3 -0.981 11.3 163.9-135.4 129.7 35.2 34.8 1.4 139 1026 A H E -A 15 0A 14 -124,-1.9 -124,-2.9 -2,-0.4 2,-0.4 -0.987 20.1-150.1-142.1 157.7 38.2 33.8 -0.8 140 1027 A T E +A 14 0A 7 -2,-0.3 2,-0.3 -126,-0.2 -126,-0.2 -0.986 36.5 118.6-129.7 130.9 38.5 32.6 -4.4 141 1028 A G E -A 13 0A 13 -128,-2.2 -128,-2.7 -2,-0.4 2,-0.1 -0.973 63.1 -63.7-174.8 172.3 41.2 30.3 -5.7 142 1029 A L - 0 0 106 -2,-0.3 18,-0.4 -130,-0.2 2,-0.3 -0.466 54.9-163.9 -69.6 137.5 42.2 27.0 -7.2 143 1030 A C - 0 0 13 -132,-0.3 2,-0.7 -134,-0.3 15,-0.1 -0.863 29.6-117.3-124.4 158.9 41.4 24.0 -5.0 144 1031 A D E -G 157 0B 68 13,-2.0 13,-2.8 -2,-0.3 2,-0.4 -0.884 44.9-158.3 -90.9 109.6 42.2 20.4 -4.7 145 1032 A I E +G 156 0B 31 -2,-0.7 2,-0.3 11,-0.2 11,-0.2 -0.889 15.9 176.0-100.6 134.6 38.8 19.0 -5.3 146 1033 A R E -G 155 0B 125 9,-2.2 9,-2.4 -2,-0.4 2,-0.4 -0.970 23.3-128.6-137.5 151.9 37.7 15.5 -4.2 147 1034 A H E -G 154 0B 91 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.850 62.0 -30.6-112.3 139.6 34.5 13.5 -4.2 148 1035 A D > - 0 0 62 5,-3.9 3,-1.2 -2,-0.4 5,-0.3 -0.623 28.3-157.9 74.4 -86.7 33.0 11.7 -1.2 149 1036 A E T 3 S- 0 0 117 -2,-0.7 -1,-0.1 1,-0.3 5,-0.0 -0.217 96.7 -52.4 92.9 -39.0 35.0 10.3 1.8 150 1037 A V T 3 S+ 0 0 135 3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.050 132.6 92.5 161.9 -21.9 31.7 8.3 2.0 151 1038 A T S < S- 0 0 87 -3,-1.2 -2,-0.1 1,-0.1 3,-0.1 0.610 88.0-130.0 -65.3 -18.2 29.3 11.2 2.0 152 1039 A K S S+ 0 0 163 1,-0.3 2,-0.2 -150,-0.0 -1,-0.1 0.709 74.2 110.8 67.6 22.7 28.8 11.2 -1.9 153 1040 A G S S- 0 0 9 -5,-0.3 -5,-3.9 -96,-0.0 2,-0.3 -0.661 71.0-102.6-117.5 175.0 29.6 14.9 -1.7 154 1041 A Y E -G 147 0B 51 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.787 31.5-172.8-102.4 147.6 32.4 17.1 -2.8 155 1042 A D E -G 146 0B 7 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.4 -0.912 13.3-137.0-132.9 164.9 35.1 18.6 -0.6 156 1043 A Y E -G 145 0B 4 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.989 19.6-176.3-133.8 133.4 37.9 21.1 -1.1 157 1044 A Y E +G 144 0B 67 -13,-2.8 -13,-2.0 -2,-0.4 3,-0.3 -0.829 31.9 33.2-128.9 161.8 41.4 21.1 0.1 158 1045 A G S > S- 0 0 50 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.683 99.9 -21.5 106.2-163.3 44.6 23.1 0.2 159 1046 A R H > S+ 0 0 200 -2,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.814 124.2 61.1 -61.1 -34.8 45.6 26.6 0.5 160 1047 A T H > S+ 0 0 12 -18,-0.4 4,-2.4 -3,-0.3 5,-0.2 0.968 109.4 37.9 -65.9 -52.0 42.3 28.0 -0.9 161 1048 A P H > S+ 0 0 12 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.900 114.9 57.3 -68.6 -30.7 40.0 26.7 1.9 162 1049 A N H X S+ 0 0 41 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.954 110.1 43.6 -61.1 -46.3 42.7 27.4 4.5 163 1050 A M H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.884 112.6 52.0 -68.2 -40.5 42.8 31.1 3.4 164 1051 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -147,-0.2 0.911 113.4 44.5 -59.5 -42.8 39.0 31.4 3.3 165 1052 A A H X S+ 0 0 3 -4,-2.8 4,-2.0 -5,-0.2 69,-0.2 0.898 113.3 48.5 -72.7 -36.9 38.7 30.0 6.8 166 1053 A R H X S+ 0 0 43 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.880 110.6 54.1 -68.2 -35.1 41.5 32.1 8.3 167 1054 A T H >< S+ 0 0 0 -4,-2.4 3,-0.9 -5,-0.2 4,-0.4 0.937 109.2 47.0 -62.7 -48.3 40.0 35.2 6.6 168 1055 A E H >< S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.902 103.0 65.6 -58.4 -36.7 36.6 34.5 8.3 169 1056 A S H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.733 100.7 47.9 -63.8 -23.7 38.3 33.9 11.6 170 1057 A V T << S+ 0 0 0 -3,-0.9 58,-2.7 -4,-0.8 -1,-0.3 0.493 91.3 104.3 -93.7 -3.9 39.4 37.4 12.0 171 1058 A A < - 0 0 0 -3,-1.7 2,-0.1 -4,-0.4 -36,-0.1 -0.479 69.4-123.3 -75.6 150.9 36.1 39.0 11.1 172 1059 A N > - 0 0 20 53,-0.2 3,-2.1 -2,-0.2 -36,-0.3 -0.446 41.7 -82.4 -81.3 162.7 33.8 40.5 13.6 173 1060 A G T 3 S+ 0 0 3 1,-0.3 -38,-0.3 -2,-0.1 -39,-0.1 -0.408 121.6 22.2 -64.2 139.0 30.2 39.3 14.0 174 1061 A G T 3 S+ 0 0 1 -40,-1.5 2,-0.3 1,-0.3 -1,-0.3 0.462 104.0 111.1 84.3 -6.2 28.1 41.0 11.4 175 1062 A Q < - 0 0 4 -3,-2.1 -39,-2.0 -41,-0.1 2,-0.5 -0.846 51.9-156.8-109.8 142.5 31.1 41.7 9.2 176 1063 A V E -dE 136 216A 0 40,-0.5 40,-2.8 -2,-0.3 2,-0.4 -0.985 11.8-168.1-119.7 119.4 31.9 40.1 5.8 177 1064 A L E -dE 137 215A 0 -41,-2.7 -39,-2.2 -2,-0.5 2,-0.4 -0.909 3.5-172.1-108.2 141.7 35.5 40.0 4.7 178 1065 A M E -dE 138 214A 0 36,-2.8 36,-2.6 -2,-0.4 -39,-0.2 -0.987 22.7-124.8-125.5 141.3 36.7 39.1 1.2 179 1066 A T E > - E 0 213A 0 -41,-2.1 4,-2.2 -2,-0.4 34,-0.2 -0.391 31.6-108.3 -74.3 165.1 40.3 38.7 0.2 180 1067 A H H > S+ 0 0 80 32,-1.9 4,-2.9 1,-0.2 5,-0.2 0.865 119.6 62.3 -60.5 -34.7 41.6 40.7 -2.7 181 1068 A A H > S+ 0 0 38 1,-0.2 4,-0.8 31,-0.2 -1,-0.2 0.941 106.1 43.4 -56.1 -43.3 41.6 37.5 -4.8 182 1069 A A H >4 S+ 0 0 3 -44,-0.3 3,-0.6 2,-0.2 4,-0.5 0.919 112.6 53.0 -68.4 -43.1 37.9 37.2 -4.3 183 1070 A Y H >< S+ 0 0 47 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.953 112.5 43.8 -58.8 -44.1 37.2 40.9 -5.0 184 1071 A M H 3< S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.579 101.0 70.1 -84.2 -2.3 39.2 40.9 -8.3 185 1072 A S T << S+ 0 0 51 -4,-0.8 -1,-0.3 -3,-0.6 2,-0.3 0.533 86.1 85.9 -76.2 -21.3 37.5 37.5 -9.3 186 1073 A L S < S- 0 0 4 -3,-1.2 -116,-0.0 -4,-0.5 -3,-0.0 -0.641 91.8-108.7 -75.6 150.7 34.3 39.5 -9.7 187 1074 A S > - 0 0 58 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.265 28.4-107.9 -72.6 165.3 33.8 41.2 -13.0 188 1075 A A H > S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.911 123.6 49.8 -57.4 -37.9 34.1 45.0 -13.3 189 1076 A E H > S+ 0 0 125 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.911 108.7 52.5 -69.6 -38.4 30.4 45.3 -13.7 190 1077 A D H >4 S+ 0 0 38 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.909 106.1 55.4 -61.4 -44.5 29.9 43.0 -10.6 191 1078 A R H >< S+ 0 0 46 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.774 98.2 61.4 -62.5 -29.1 32.1 45.3 -8.6 192 1079 A K H 3< S+ 0 0 162 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.719 100.3 56.9 -67.9 -18.2 30.0 48.3 -9.4 193 1080 A Q T << S+ 0 0 135 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.2 0.360 102.4 62.0 -91.8 -0.4 27.1 46.6 -7.7 194 1081 A I < - 0 0 23 -3,-1.0 2,-0.5 -4,-0.2 24,-0.1 -0.905 69.6-137.4-124.3 167.2 28.8 46.2 -4.3 195 1082 A D + 0 0 102 22,-0.5 22,-3.1 -2,-0.3 2,-0.3 -0.984 28.4 175.7-124.7 108.8 30.3 48.5 -1.7 196 1083 A V E -F 216 0A 34 -2,-0.5 2,-0.5 20,-0.2 20,-0.2 -0.897 20.8-152.7-116.6 155.7 33.6 47.6 -0.2 197 1084 A T E -F 215 0A 62 18,-2.2 18,-3.2 -2,-0.3 2,-0.3 -0.993 25.1-126.1-123.4 121.4 36.0 49.2 2.3 198 1085 A A E -F 214 0A 64 -2,-0.5 16,-0.2 16,-0.2 3,-0.1 -0.567 21.4-174.8 -66.1 135.6 39.7 48.4 2.1 199 1086 A L E - 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