==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-FEB-10 3LXN . COMPND 2 MOLECULE: NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.CHRENCIK,T.E.BENSON . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 1 0 0 0 1 2 0 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 0 1 1 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 . 2 0 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 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 D 0 0 95 0, 0.0 76,-0.1 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 147.9 -17.9 10.7 -2.3 2 889 A P + 0 0 83 0, 0.0 75,-0.1 0, 0.0 2,-0.1 0.162 360.0 46.2-119.4 -71.3 -17.5 13.8 -1.8 3 890 A T E -a 77 0A 74 73,-0.7 75,-1.9 1,-0.0 2,-0.6 -0.345 39.1-146.0 -89.6 145.8 -15.5 16.8 -0.6 4 891 A V E -a 78 0A 82 73,-0.2 2,-0.4 -2,-0.1 75,-0.2 -0.955 11.2-156.6-111.3 118.9 -12.0 17.9 -1.5 5 892 A F - 0 0 26 73,-2.6 2,-0.5 -2,-0.6 75,-0.4 -0.813 16.7-133.0 -91.0 131.0 -10.1 19.8 1.2 6 893 A H > - 0 0 103 -2,-0.4 3,-2.1 1,-0.1 4,-0.4 -0.770 5.3-141.8 -90.5 127.0 -7.3 22.0 -0.1 7 894 A K G > S+ 0 0 81 -2,-0.5 3,-0.7 1,-0.3 -1,-0.1 0.666 95.2 73.9 -64.4 -17.1 -4.1 21.5 1.8 8 895 A R G 3 S+ 0 0 200 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.725 101.5 42.7 -68.1 -20.5 -3.4 25.3 1.6 9 896 A Y G < S+ 0 0 73 -3,-2.1 21,-2.9 2,-0.0 2,-0.6 0.436 91.4 103.7-101.3 -3.3 -6.1 25.9 4.2 10 897 A L E < -B 29 0A 16 -3,-0.7 2,-0.6 -4,-0.4 19,-0.2 -0.719 51.3-168.7 -87.0 117.0 -5.1 22.9 6.5 11 898 A K E -B 28 0A 52 17,-3.2 17,-2.7 -2,-0.6 2,-0.2 -0.930 18.7-133.0-109.2 118.2 -3.2 24.0 9.6 12 899 A K E +B 27 0A 120 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.478 34.5 161.5 -70.4 135.5 -1.5 21.2 11.6 13 900 A I E - 0 0 77 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.727 56.2 -7.7-112.0 -48.1 -2.1 21.4 15.4 14 901 A R E -B 26 0A 114 12,-1.2 12,-2.9 0, 0.0 2,-0.4 -0.983 58.8-113.1-163.0 138.2 -1.4 18.1 17.1 15 902 A D E -B 25 0A 112 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.815 27.5-177.2 -82.7 134.1 -0.6 14.4 16.4 16 903 A L E - 0 0 64 8,-2.2 2,-0.3 -2,-0.4 9,-0.2 0.657 53.5 -44.0-104.0 -23.8 -3.5 12.2 17.5 17 904 A G E -B 24 0A 36 7,-1.7 7,-1.3 0, 0.0 -1,-0.3 -0.994 36.7-122.0 174.8-176.1 -2.0 8.8 16.8 18 905 A E E +B 23 0A 136 -2,-0.3 5,-0.2 5,-0.3 25,-0.0 -0.931 30.5 162.4-159.9 125.8 -0.2 6.2 14.7 19 906 A G - 0 0 58 3,-1.6 4,-0.1 -2,-0.3 -1,-0.1 0.826 61.1 -24.6-120.8 -79.0 -1.7 2.9 13.5 20 907 A H S S- 0 0 54 33,-0.0 33,-0.0 2,-0.0 25,-0.0 0.690 123.7 -29.8-108.1 -78.6 -0.5 0.7 10.7 21 908 A F S S+ 0 0 125 32,-0.1 25,-4.6 25,-0.0 2,-0.3 -0.028 124.0 85.5-121.5 27.2 1.6 2.6 8.2 22 909 A G E - C 0 45A 7 23,-0.3 -3,-1.6 24,-0.1 2,-0.4 -0.811 61.6-148.7-121.3 161.9 -0.4 5.7 8.8 23 910 A K E -BC 18 44A 34 21,-1.6 21,-2.2 -2,-0.3 2,-0.5 -0.992 12.4-148.1-122.6 137.8 -0.4 8.7 11.2 24 911 A V E -BC 17 43A 29 -7,-1.3 -8,-2.2 -2,-0.4 -7,-1.7 -0.935 23.9-176.9-102.0 128.9 -3.7 10.5 12.2 25 912 A S E -BC 15 42A 8 17,-2.6 17,-3.0 -2,-0.5 2,-0.5 -0.913 26.7-120.6-127.0 151.6 -3.2 14.2 12.9 26 913 A L E +BC 14 41A 0 -12,-2.9 -13,-2.8 -2,-0.3 -12,-1.2 -0.817 36.3 175.4 -91.3 123.2 -5.4 17.1 14.1 27 914 A Y E -BC 12 40A 22 13,-2.7 13,-2.7 -2,-0.5 2,-0.5 -0.908 29.5-135.6-120.5 154.0 -5.7 20.0 11.6 28 915 A C E -BC 11 39A 23 -17,-2.7 -17,-3.2 -2,-0.3 2,-0.8 -0.961 19.0-149.1-100.1 124.4 -7.7 23.2 11.6 29 916 A Y E +BC 10 38A 32 9,-3.2 9,-1.2 -2,-0.5 -19,-0.2 -0.869 25.9 171.1 -96.8 105.8 -9.3 23.7 8.1 30 917 A D > + 0 0 22 -21,-2.9 3,-1.4 -2,-0.8 -2,-0.0 -0.663 17.7 161.9-127.1 74.9 -9.4 27.5 7.8 31 918 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.945 85.7 46.8 -51.4 -52.3 -10.4 28.8 4.3 32 919 A T T 3 S- 0 0 95 1,-0.1 -2,-0.0 -23,-0.0 -23,-0.0 0.368 105.8-128.4 -77.5 6.6 -11.3 32.3 5.7 33 920 A N S < S+ 0 0 146 -3,-1.4 -1,-0.1 1,-0.1 -3,-0.1 0.747 74.8 119.4 54.9 25.5 -8.0 32.4 7.8 34 921 A D S S- 0 0 111 1,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.627 82.5-116.0 -94.2 -16.3 -10.3 33.2 10.8 35 922 A G S S+ 0 0 61 3,-0.0 -6,-0.0 -7,-0.0 -2,-0.0 0.301 97.2 101.4 79.1 -3.2 -10.0 30.6 13.5 36 923 A T + 0 0 76 2,-0.1 -7,-0.1 -6,-0.0 -6,-0.0 0.663 59.1 119.1 -74.5 -16.3 -13.7 30.0 12.8 37 924 A G - 0 0 21 1,-0.1 2,-0.2 -9,-0.1 -7,-0.2 0.094 69.4 -99.4 -61.3 162.1 -12.5 27.0 10.8 38 925 A E E -C 29 0A 126 -9,-1.2 -9,-3.2 -10,-0.1 2,-0.4 -0.552 24.6-128.3 -88.0 140.1 -13.3 23.4 11.5 39 926 A M E +C 28 0A 81 -2,-0.2 54,-0.7 -11,-0.2 2,-0.3 -0.712 34.5 178.9 -82.2 133.7 -11.2 20.9 13.4 40 927 A V E -CD 27 92A 0 -13,-2.7 -13,-2.7 -2,-0.4 2,-0.5 -0.985 29.3-128.9-138.8 148.3 -10.6 17.6 11.4 41 928 A A E -CD 26 91A 8 50,-2.3 50,-3.0 -2,-0.3 2,-0.5 -0.863 28.7-162.4 -98.1 131.0 -8.7 14.4 12.0 42 929 A V E -CD 25 90A 2 -17,-3.0 -17,-2.6 -2,-0.5 2,-0.5 -0.965 7.0-158.8-127.1 118.6 -6.5 13.5 9.0 43 930 A K E -CD 24 89A 7 46,-3.1 46,-3.1 -2,-0.5 2,-0.3 -0.844 16.0-179.3-100.6 131.8 -5.0 10.1 8.2 44 931 A A E -C 23 0A 24 -21,-2.2 -21,-1.6 -2,-0.5 2,-0.3 -0.914 34.8-103.6-129.8 151.2 -2.0 9.9 5.9 45 932 A L E -C 22 0A 16 42,-0.4 -23,-0.3 -2,-0.3 4,-0.1 -0.628 59.3 -93.2 -75.4 133.1 0.2 7.1 4.6 46 933 A K - 0 0 39 -25,-4.6 -1,-0.1 -2,-0.3 -24,-0.1 0.315 39.4 -88.0 -56.6 174.6 3.5 7.0 6.5 47 934 A A S S+ 0 0 118 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.582 114.7 14.0 -65.7 -14.6 6.7 8.8 5.6 48 935 A D S S+ 0 0 81 -27,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.913 75.4 158.6-153.7 141.0 7.9 5.8 3.6 49 936 A A - 0 0 26 -2,-0.3 -4,-0.0 -4,-0.1 -28,-0.0 -0.953 24.1-136.1-166.3 144.6 5.8 2.8 2.3 50 937 A G > - 0 0 38 -2,-0.3 4,-2.5 1,-0.0 5,-0.2 -0.158 44.2 -78.0 -97.8-174.7 5.9 0.2 -0.4 51 938 A P H > S+ 0 0 114 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.776 126.2 52.2 -58.8 -34.1 3.4 -1.4 -2.9 52 939 A Q H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.949 112.4 45.9 -66.8 -49.4 1.7 -3.6 -0.3 53 940 A H H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 115.2 47.9 -55.0 -46.1 1.1 -0.6 2.0 54 941 A R H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.866 109.1 49.9 -70.2 -40.4 -0.1 1.5 -0.9 55 942 A S H X S+ 0 0 58 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.896 113.0 49.7 -65.6 -38.8 -2.6 -1.0 -2.4 56 943 A G H X S+ 0 0 23 -4,-2.0 4,-2.8 -5,-0.2 3,-0.2 0.933 106.1 56.0 -57.1 -48.4 -4.0 -1.4 1.1 57 944 A W H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.901 106.4 50.1 -57.4 -41.6 -4.3 2.4 1.5 58 945 A K H X S+ 0 0 120 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.851 110.7 49.8 -64.2 -35.8 -6.4 2.6 -1.6 59 946 A Q H X S+ 0 0 89 -4,-1.4 4,-2.4 -3,-0.2 -2,-0.2 0.898 109.1 51.7 -66.0 -42.9 -8.6 -0.1 -0.3 60 947 A E H X S+ 0 0 17 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.928 109.0 50.4 -60.6 -46.6 -9.0 1.6 3.0 61 948 A I H X S+ 0 0 10 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.930 111.6 48.2 -55.7 -48.7 -10.0 4.9 1.4 62 949 A D H X S+ 0 0 84 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.890 111.8 49.1 -62.8 -41.0 -12.6 3.1 -0.7 63 950 A I H >X S+ 0 0 8 -4,-2.4 4,-1.1 1,-0.2 3,-0.8 0.942 113.7 44.9 -62.3 -49.4 -14.1 1.3 2.3 64 951 A L H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.721 107.5 61.8 -69.1 -21.8 -14.3 4.4 4.4 65 952 A R H 3< S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.787 109.4 40.4 -67.0 -32.0 -15.8 6.2 1.4 66 953 A T H << S+ 0 0 73 -4,-1.0 2,-0.4 -3,-0.8 -2,-0.2 0.596 94.0 97.7-102.4 -9.7 -18.8 3.8 1.3 67 954 A L < + 0 0 8 -4,-1.1 2,-0.3 2,-0.0 8,-0.3 -0.616 40.1 167.4 -82.9 132.1 -19.5 3.5 5.1 68 955 A Y + 0 0 195 -2,-0.4 2,-0.3 6,-0.1 6,-0.1 -0.870 17.0 129.2-150.1 108.1 -22.2 5.6 6.7 69 956 A H > - 0 0 58 3,-0.4 3,-1.7 -2,-0.3 54,-0.1 -0.990 62.8-109.6-163.8 151.4 -23.5 4.9 10.2 70 957 A E T 3 S+ 0 0 129 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.795 119.1 38.6 -50.2 -38.6 -24.3 6.5 13.6 71 958 A H T 3 S+ 0 0 2 48,-0.1 81,-2.3 80,-0.1 2,-0.4 -0.088 97.6 88.2-116.1 33.7 -21.4 4.6 15.2 72 959 A I B < S-f 152 0B 3 -3,-1.7 -3,-0.4 79,-0.3 81,-0.2 -1.000 91.8 -98.2-124.6 128.8 -18.8 4.8 12.5 73 960 A I - 0 0 4 79,-2.5 2,-0.4 -2,-0.4 -4,-0.1 -0.147 48.4-105.9 -39.8 131.1 -16.4 7.8 12.4 74 961 A K - 0 0 68 -4,-0.1 18,-1.9 -6,-0.1 2,-0.5 -0.545 25.5-138.9 -69.6 122.2 -17.8 10.3 9.8 75 962 A Y E + E 0 91A 28 -2,-0.4 16,-0.2 -8,-0.3 3,-0.1 -0.735 23.8 177.4 -79.9 124.4 -15.8 10.4 6.6 76 963 A K E - 0 0 43 14,-2.2 -73,-0.7 -2,-0.5 2,-0.3 0.780 47.0 -78.6-102.1 -34.0 -15.5 14.1 5.5 77 964 A G E -aE 3 90A 0 13,-1.7 13,-3.0 -75,-0.1 -1,-0.3 -0.985 43.1 -77.7 161.6-168.3 -13.4 13.9 2.4 78 965 A C E -aE 4 89A 15 -75,-1.9 -73,-2.6 -2,-0.3 2,-0.4 -0.712 22.3-148.8-121.2 172.7 -10.0 13.6 0.9 79 966 A C E - E 0 88A 0 9,-1.4 9,-2.3 -2,-0.2 2,-0.2 -0.966 24.1-120.9-145.8 120.9 -7.0 15.8 0.4 80 967 A E E - E 0 87A 69 -75,-0.4 2,-0.4 -2,-0.4 -73,-0.3 -0.482 29.6-170.8 -59.4 127.1 -4.5 15.5 -2.5 81 968 A D E >>> + E 0 86A 38 5,-1.6 5,-1.9 -2,-0.2 3,-0.9 -0.917 13.4 176.3-126.7 111.2 -1.1 14.9 -0.9 82 969 A A T 345S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.3 5,-0.1 0.607 71.8 81.3-106.5 -19.1 1.6 15.2 -3.5 83 970 A G T 345S+ 0 0 73 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.579 108.7 12.7 57.3-102.3 3.7 14.7 -1.0 84 971 A A T <45S- 0 0 26 -3,-0.9 -2,-0.2 2,-0.3 -1,-0.1 0.337 108.0-112.0-118.3 -3.1 3.6 11.1 -0.6 85 972 A A T <5S+ 0 0 73 -4,-0.6 2,-0.2 1,-0.3 -3,-0.2 0.856 86.3 79.0 46.1 57.0 1.8 10.8 -3.8 86 973 A S E - 0 0 9 -2,-0.6 3,-1.5 1,-0.1 50,-0.2 -0.907 7.4-160.9-102.2 104.7 -13.7 13.5 18.3 95 982 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 0.647 82.6 64.1 -67.0 -23.7 -11.8 15.4 21.0 96 983 A L T 3 S- 0 0 76 48,-0.5 49,-0.1 1,-0.2 50,-0.0 0.716 94.4-160.6 -69.7 -21.5 -12.3 12.9 23.9 97 984 A G < - 0 0 21 -3,-1.5 47,-2.6 47,-0.2 -1,-0.2 -0.233 34.1 -10.2 76.7-160.8 -10.2 10.4 21.8 98 985 A S B > -G 143 0B 12 45,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.327 56.2-122.3 -78.9 155.6 -10.1 6.6 22.2 99 986 A L H > S+ 0 0 0 43,-2.2 4,-2.4 40,-0.9 41,-0.2 0.765 114.0 61.3 -60.7 -30.8 -11.6 4.6 25.1 100 987 A R H 4 S+ 0 0 51 39,-0.8 -1,-0.2 42,-0.3 40,-0.1 0.880 111.5 34.5 -64.6 -39.2 -8.1 3.3 25.6 101 988 A D H 4 S+ 0 0 94 -3,-0.3 -2,-0.2 38,-0.2 -1,-0.2 0.785 125.5 45.4 -80.8 -26.6 -6.7 6.7 26.3 102 989 A Y H >X S+ 0 0 38 -4,-2.1 3,-1.8 2,-0.1 4,-0.7 0.935 102.1 55.7 -85.5 -53.3 -10.0 7.8 28.1 103 990 A L G >< S+ 0 0 3 -4,-2.4 3,-0.8 1,-0.3 5,-0.2 0.817 98.2 61.4 -59.7 -38.5 -11.1 5.0 30.4 104 991 A P G 34 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.665 114.1 37.9 -59.4 -16.6 -7.9 4.7 32.5 105 992 A R G <4 S+ 0 0 182 -3,-1.8 2,-0.4 1,-0.2 -2,-0.2 0.431 112.7 58.8-112.6 -5.7 -8.4 8.4 33.6 106 993 A H S << S- 0 0 78 -3,-0.8 2,-1.1 -4,-0.7 -1,-0.2 -0.951 75.2-134.8-133.9 115.4 -12.3 8.5 34.0 107 994 A S - 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0 0 55 -3,-2.5 -3,-0.2 1,-0.3 3,-0.1 0.763 60.0 -74.0 41.6 35.0 -11.2 0.4 32.1 209 1098 A C T 3 S+ 0 0 92 -2,-0.3 3,-1.0 1,-0.3 6,-0.2 0.825 100.8 55.3 -59.6 -36.2 -2.5 -1.5 31.4 212 1101 A S G 3 S+ 0 0 68 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.693 111.4 45.2 -69.7 -19.5 -1.7 -4.2 33.9 213 1102 A Q G < S+ 0 0 47 -3,-1.5 -1,-0.2 -6,-0.2 -2,-0.2 0.292 86.3 126.2-105.1 3.0 -4.9 -6.1 33.1 214 1103 A S S <> S- 0 0 26 -3,-1.0 4,-2.9 -4,-0.4 5,-0.2 -0.183 71.6-110.7 -64.1 156.4 -4.6 -5.9 29.3 215 1104 A P H > S+ 0 0 0 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.903 116.5 49.3 -56.1 -46.8 -4.7 -9.0 27.0 216 1105 A P H > S+ 0 0 35 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.948 114.8 46.3 -59.1 -44.7 -1.1 -8.9 25.9 217 1106 A T H > S+ 0 0 48 -6,-0.2 4,-1.8 2,-0.2 5,-0.1 0.960 118.1 41.0 -60.6 -53.2 -0.0 -8.5 29.6 218 1107 A K H X S+ 0 0 57 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.932 117.5 46.9 -62.3 -49.3 -2.3 -11.3 30.8 219 1108 A F H X S+ 0 0 6 -4,-3.3 4,-2.1 -5,-0.2 -1,-0.2 0.825 111.8 50.7 -63.3 -34.5 -1.7 -13.7 27.9 220 1109 A L H X S+ 0 0 53 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 0.791 105.3 57.2 -76.9 -26.9 2.1 -13.2 28.1 221 1110 A E H < S+ 0 0 119 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.802 113.1 40.9 -61.3 -36.7 2.0 -14.0 31.9 222 1111 A L H < S+ 0 0 98 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.858 123.8 38.4 -79.3 -38.0 0.4 -17.3 30.9 223 1112 A I H < S- 0 0 24 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.815 100.1-146.5 -80.6 -36.4 2.6 -17.9 28.0 224 1113 A G < - 0 0 30 -4,-3.0 3,-0.3 -5,-0.1 -3,-0.1 0.150 17.6-109.6 76.5 159.2 5.9 -16.5 29.5 225 1114 A I S > S+ 0 0 145 1,-0.2 3,-0.6 -4,-0.1 -1,-0.1 0.263 88.3 103.4-107.8 10.8 8.6 -14.7 27.5 226 1115 A A T 3 S+ 0 0 101 1,-0.3 2,-0.2 -3,-0.2 -1,-0.2 0.737 92.2 31.7 -67.9 -24.2 11.2 -17.5 27.7 227 1116 A Q T > + 0 0 108 -3,-0.3 3,-1.8 -4,-0.2 -1,-0.3 -0.605 62.3 168.7-135.5 77.6 10.5 -18.5 24.1 228 1117 A G G X S+ 0 0 52 -3,-0.6 3,-1.6 1,-0.3 4,-0.3 0.811 76.5 70.0 -52.6 -35.8 9.4 -15.5 22.0 229 1118 A Q G 3 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.806 105.0 41.6 -49.8 -30.7 9.8 -17.7 18.9 230 1119 A M G <> S+ 0 0 61 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.083 74.9 116.0-116.0 26.2 6.7 -19.6 20.0 231 1120 A T H <> S+ 0 0 33 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.914 83.1 41.6 -57.3 -50.0 4.3 -16.9 21.3 232 1121 A V H > S+ 0 0 54 -4,-0.3 4,-2.7 -3,-0.2 5,-0.2 0.962 115.6 49.8 -68.1 -51.0 1.6 -17.5 18.7 233 1122 A L H > S+ 0 0 90 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.884 114.7 46.1 -48.5 -43.5 1.9 -21.3 18.9 234 1123 A R H X S+ 0 0 61 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.792 110.4 50.9 -76.8 -34.1 1.6 -21.1 22.7 235 1124 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.867 109.5 52.4 -66.4 -41.9 -1.3 -18.7 22.7 236 1125 A T H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.868 110.4 47.9 -63.8 -38.3 -3.1 -21.0 20.3 237 1126 A E H X S+ 0 0 81 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.884 110.5 49.8 -72.9 -40.6 -2.6 -24.0 22.6 238 1127 A L H <>S+ 0 0 3 -4,-1.6 5,-1.8 2,-0.2 -2,-0.2 0.916 113.6 47.2 -65.2 -40.2 -3.7 -22.2 25.7 239 1128 A L H ><5S+ 0 0 1 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.951 111.2 49.6 -64.5 -48.7 -6.8 -21.0 23.9 240 1129 A E H 3<5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 103.9 61.7 -64.0 -27.9 -7.6 -24.5 22.6 241 1130 A R T 3<5S- 0 0 152 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.540 122.1-111.7 -63.5 -12.6 -7.1 -25.8 26.1 242 1131 A G T < 5 + 0 0 42 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.434 67.1 146.9 92.0 0.2 -10.0 -23.5 27.0 243 1132 A E < + 0 0 73 -5,-1.8 -1,-0.3 1,-0.0 2,-0.3 -0.493 24.3 179.2 -66.8 138.2 -8.1 -21.0 29.1 244 1133 A R - 0 0 36 -2,-0.2 16,-0.0 -3,-0.1 -1,-0.0 -0.795 38.0 -75.9-134.5 169.0 -9.5 -17.5 28.8 245 1134 A L - 0 0 4 -2,-0.3 -42,-0.0 1,-0.1 -1,-0.0 -0.535 62.9-110.2 -65.1 139.8 -9.1 -14.0 30.0 246 1135 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.031 36.5 -78.5 -73.7 173.8 -10.3 -13.8 33.6 247 1136 A R - 0 0 135 1,-0.1 2,-0.2 4,-0.0 3,-0.1 -0.578 47.3-126.2 -72.9 124.6 -13.4 -12.1 35.0 248 1137 A P > - 0 0 6 0, 0.0 3,-2.1 0, 0.0 -41,-0.1 -0.533 42.3 -82.5 -68.4 140.9 -12.8 -8.3 35.5 249 1138 A D T 3 S+ 0 0 80 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.092 113.5 3.2 -41.1 132.7 -13.5 -7.0 39.0 250 1139 A K T 3 S+ 0 0 190 1,-0.2 -1,-0.3 -3,-0.1 -140,-0.1 0.687 87.8 149.9 51.7 27.2 -17.3 -6.3 39.5 251 1140 A C < - 0 0 1 -3,-2.1 -1,-0.2 1,-0.1 5,-0.1 -0.777 55.6-111.3 -80.2 122.3 -18.2 -7.6 36.1 252 1141 A P >> - 0 0 17 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.284 21.9-121.1 -54.0 139.3 -21.7 -9.1 36.4 253 1142 A A H 3> S+ 0 0 53 1,-0.3 4,-1.5 2,-0.2 3,-0.1 0.877 111.3 52.3 -50.2 -45.4 -21.7 -12.9 36.1 254 1143 A E H 3> S+ 0 0 85 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.746 105.9 53.4 -67.3 -25.9 -24.0 -12.8 33.1 255 1144 A V H <> S+ 0 0 5 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.880 107.3 50.6 -77.2 -36.0 -21.9 -10.3 31.2 256 1145 A Y H X S+ 0 0 35 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.802 106.1 58.4 -67.8 -31.5 -18.8 -12.5 31.5 257 1146 A H H X S+ 0 0 120 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.827 107.1 45.1 -56.3 -42.5 -21.0 -15.3 30.2 258 1147 A L H X S+ 0 0 19 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.897 110.7 54.7 -73.1 -45.8 -21.7 -13.4 27.1 259 1148 A M H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.878 109.0 47.8 -44.8 -49.6 -18.0 -12.5 26.8 260 1149 A K H < S+ 0 0 81 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.799 107.2 56.9 -67.3 -32.8 -17.1 -16.2 27.0 261 1150 A N H >< S+ 0 0 59 -4,-1.1 3,-1.1 1,-0.2 -2,-0.2 0.842 102.9 52.7 -70.1 -35.7 -19.7 -17.0 24.4 262 1151 A C H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.748 107.5 57.9 -62.7 -25.7 -18.0 -14.6 22.0 263 1152 A W T 3< S+ 0 0 5 -4,-0.7 -1,-0.2 -5,-0.2 2,-0.2 0.097 73.0 144.4 -95.5 20.1 -14.8 -16.6 22.9 264 1153 A E < - 0 0 59 -3,-1.1 6,-0.1 1,-0.1 -68,-0.1 -0.436 50.0-140.3 -55.3 131.0 -16.1 -20.0 21.7 265 1154 A T S S+ 0 0 56 -2,-0.2 2,-0.5 -26,-0.1 -83,-0.3 0.949 93.1 67.7 -59.6 -57.4 -13.4 -22.0 20.2 266 1155 A E S > S- 0 0 116 1,-0.1 3,-1.0 -85,-0.1 4,-0.2 -0.590 80.6-150.6 -53.3 109.9 -15.8 -23.2 17.6 267 1156 A A G > S+ 0 0 17 -2,-0.5 3,-2.6 1,-0.3 -1,-0.1 0.885 90.9 58.9 -59.0 -46.9 -16.6 -20.2 15.5 268 1157 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.740 97.5 63.6 -59.8 -22.5 -20.1 -21.2 14.5 269 1158 A F G < S+ 0 0 131 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.466 85.9 96.4 -78.3 -4.8 -21.1 -21.4 18.2 270 1159 A R S < S- 0 0 15 -3,-2.6 -8,-0.2 -4,-0.2 2,-0.1 -0.582 81.1-111.0 -82.3 153.1 -20.5 -17.6 18.6 271 1160 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.481 28.9-121.2 -73.3 149.0 -23.3 -15.1 18.4 272 1161 A T > - 0 0 69 -2,-0.1 4,-1.4 1,-0.1 -147,-0.1 -0.409 28.2-108.4 -74.1 166.8 -23.4 -12.7 15.4 273 1162 A F H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -148,-0.2 0.877 123.5 60.2 -64.4 -35.1 -23.3 -9.0 16.1 274 1163 A E H 4 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.890 104.0 49.4 -55.5 -43.7 -26.9 -9.0 15.1 275 1164 A N H > S+ 0 0 89 1,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.851 109.1 53.1 -61.8 -36.8 -27.6 -11.5 17.9 276 1165 A L H X S+ 0 0 1 -4,-1.4 4,-3.3 1,-0.2 5,-0.3 0.821 91.0 72.8 -75.5 -29.2 -25.8 -9.3 20.4 277 1166 A I H X S+ 0 0 40 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.921 103.1 39.6 -55.6 -55.0 -27.6 -6.0 19.8 278 1167 A P H > S+ 0 0 72 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.852 117.6 49.8 -57.1 -40.7 -30.9 -7.1 21.5 279 1168 A I H X S+ 0 0 79 -4,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.928 113.1 45.7 -66.6 -45.0 -29.1 -8.9 24.3 280 1169 A L H X S+ 0 0 1 -4,-3.3 4,-2.9 2,-0.2 -1,-0.2 0.883 111.2 50.3 -68.1 -40.7 -26.8 -5.9 25.1 281 1170 A K H X S+ 0 0 51 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.806 111.9 49.5 -73.3 -25.7 -29.6 -3.3 25.0 282 1171 A T H X S+ 0 0 90 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.894 113.8 44.4 -74.4 -43.3 -31.6 -5.4 27.4 283 1172 A V H X S+ 0 0 27 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.868 113.1 53.3 -68.0 -36.1 -28.7 -5.9 29.8 284 1173 A H H >X S+ 0 0 14 -4,-2.9 3,-0.9 2,-0.2 4,-0.7 0.980 108.4 48.6 -57.0 -56.7 -27.9 -2.1 29.4 285 1174 A E H >X S+ 0 0 114 -4,-2.2 3,-1.4 1,-0.3 4,-1.1 0.921 108.1 56.9 -48.9 -51.5 -31.5 -1.2 30.3 286 1175 A K H 3< S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.822 102.1 54.9 -47.0 -42.1 -31.3 -3.5 33.3 287 1176 A Y H << S+ 0 0 74 -4,-1.4 -176,-0.3 -3,-0.9 -1,-0.2 0.488 99.8 56.4 -89.8 -2.1 -28.2 -1.8 34.8 288 1177 A Q H << 0 0 138 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.914 360.0 360.0 -78.2 -54.0 -29.4 1.8 35.0 289 1178 A G < 0 0 110 -4,-1.1 -2,-0.2 0, 0.0 -3,-0.1 0.853 360.0 360.0 -95.6 360.0 -32.5 1.1 37.2