==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-MAR-12 4E1Z . COMPND 2 MOLECULE: NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.A.ARGIRIADI,R.V.TALANIAN,D.W.BORHANI . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 15.6 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 0.3 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 . 17 5.9 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 . 89 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 0 0 0 1 1 0 0 0 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 1 1 0 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 1 883 A S 0 0 160 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.2 11.2 -26.0 36.1 2 884 A D > - 0 0 90 1,-0.1 3,-1.8 2,-0.1 0, 0.0 -0.505 360.0-144.4 -61.5 115.4 11.4 -23.1 33.5 3 885 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.582 96.2 57.9 -62.6 -10.2 14.9 -23.4 31.9 4 886 A T T 3 S+ 0 0 47 74,-0.1 75,-2.4 2,-0.0 2,-0.6 0.408 84.0 93.2 -99.4 -6.1 15.2 -19.6 31.7 5 887 A V B < +a 79 0A 56 -3,-1.8 2,-0.5 73,-0.2 75,-0.2 -0.845 48.9 178.4 -97.4 123.0 14.7 -18.9 35.5 6 888 A F - 0 0 8 73,-1.7 2,-0.4 -2,-0.6 75,-0.3 -0.987 17.0-149.3-122.6 113.4 17.9 -18.6 37.5 7 889 A H > - 0 0 88 -2,-0.5 3,-2.1 1,-0.1 4,-0.3 -0.765 15.8-133.5 -87.7 131.6 17.5 -17.8 41.2 8 890 A K G > S+ 0 0 99 -2,-0.4 3,-2.0 73,-0.3 -1,-0.1 0.824 102.4 68.8 -47.3 -40.2 20.4 -15.7 42.7 9 891 A R G 3 S+ 0 0 180 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.658 103.5 42.4 -55.5 -24.8 20.4 -18.2 45.7 10 892 A Y G < S+ 0 0 50 -3,-2.1 21,-2.1 20,-0.0 2,-0.5 0.352 94.6 97.4-105.6 3.2 21.7 -21.0 43.5 11 893 A L E < -B 30 0A 11 -3,-2.0 2,-0.4 -4,-0.3 19,-0.2 -0.807 51.6-172.9 -94.8 130.3 24.3 -18.9 41.6 12 894 A K E -B 29 0A 116 17,-1.8 17,-2.4 -2,-0.5 2,-0.2 -0.988 20.8-130.6-127.4 119.4 27.9 -19.0 42.9 13 895 A K E +B 28 0A 108 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.525 28.0 171.4 -71.4 131.0 30.5 -16.6 41.5 14 896 A I E - 0 0 94 13,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.821 60.4 -41.7 -99.6 -62.8 33.8 -18.2 40.4 15 897 A R E -B 27 0A 130 12,-0.7 12,-3.1 0, 0.0 -1,-0.4 -0.955 61.2 -82.3-158.7 173.1 35.6 -15.3 38.6 16 898 A D E -B 26 0A 92 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.581 30.5-176.4 -83.8 149.4 35.2 -12.4 36.2 17 899 A L E - 0 0 56 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.585 61.6 -14.6-118.1 -28.4 35.3 -13.1 32.4 18 900 A G E -B 25 0A 31 7,-1.8 7,-3.3 2,-0.0 -1,-0.4 -0.926 48.9-152.2-177.3 156.6 35.1 -9.6 30.8 19 901 A E E +B 24 0A 134 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.997 14.0 175.4-144.5 128.5 34.3 -6.0 31.4 20 902 A G - 0 0 38 3,-2.5 -2,-0.0 -2,-0.3 5,-0.0 -0.567 52.9 -83.1-116.8-171.7 33.1 -3.3 28.9 21 903 A H S S+ 0 0 114 -2,-0.2 3,-0.1 1,-0.2 154,-0.0 0.796 125.9 16.8 -64.9 -31.5 32.1 0.4 29.5 22 904 A F S S+ 0 0 62 1,-0.1 25,-3.8 24,-0.0 2,-0.3 0.663 121.9 47.2-113.9 -33.3 28.5 -0.6 30.7 23 905 A G E - C 0 46A 10 23,-0.3 -3,-2.5 21,-0.0 2,-0.4 -0.746 53.3-151.8-118.8 166.0 28.6 -4.3 31.6 24 906 A K E -BC 19 45A 77 21,-2.4 21,-2.7 -2,-0.3 2,-0.4 -0.993 10.8-157.3-133.5 135.2 30.5 -6.9 33.5 25 907 A V E +BC 18 44A 33 -7,-3.3 -8,-3.2 -2,-0.4 -7,-1.8 -0.979 18.6 174.3-117.7 125.7 30.5 -10.6 32.5 26 908 A S E -BC 16 43A 6 17,-2.5 17,-2.9 -2,-0.4 2,-0.4 -0.926 31.2-113.6-128.5 158.6 31.4 -13.2 35.3 27 909 A L E -BC 15 42A 9 -12,-3.1 -13,-2.9 -2,-0.3 -12,-0.7 -0.772 36.4-179.2 -96.6 134.2 31.4 -17.0 35.5 28 910 A Y E -BC 13 41A 35 13,-2.7 13,-2.6 -2,-0.4 2,-0.5 -0.933 26.5-132.9-129.7 153.9 28.9 -18.7 37.9 29 911 A C E -BC 12 40A 18 -17,-2.4 -17,-1.8 -2,-0.3 2,-0.7 -0.936 18.7-152.4-103.3 126.0 28.1 -22.2 39.0 30 912 A Y E +BC 11 39A 30 9,-3.7 9,-2.6 -2,-0.5 -19,-0.2 -0.930 28.7 158.0-101.1 108.7 24.4 -22.9 38.9 31 913 A D > + 0 0 20 -21,-2.1 3,-1.3 -2,-0.7 5,-0.1 -0.597 9.3 162.6-131.4 76.2 23.6 -25.6 41.5 32 914 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.866 85.1 43.9 -59.7 -35.5 19.9 -25.6 42.6 33 915 A T T 3 S- 0 0 105 -23,-0.1 -2,-0.0 0, 0.0 -23,-0.0 0.312 105.2-126.2 -90.6 3.9 20.2 -29.2 44.1 34 916 A N < + 0 0 128 -3,-1.3 -3,-0.1 1,-0.1 -24,-0.0 0.802 54.0 156.8 49.7 37.3 23.7 -28.5 45.7 35 917 A D - 0 0 98 1,-0.1 2,-1.0 0, 0.0 -1,-0.1 0.233 55.9-119.3 -72.9 5.0 25.0 -31.7 43.8 36 918 A G S S+ 0 0 72 1,-0.2 -1,-0.1 -5,-0.1 -2,-0.1 -0.214 103.0 58.1 82.1 -43.4 28.7 -30.6 43.9 37 919 A T S S+ 0 0 113 -2,-1.0 -1,-0.2 -8,-0.0 -7,-0.1 0.975 73.1 158.7 -79.5 -70.4 29.0 -30.5 40.1 38 920 A G - 0 0 24 -9,-0.1 2,-0.4 2,-0.0 -7,-0.2 -0.010 47.0 -66.9 69.3-177.0 26.3 -28.0 38.8 39 921 A E E -C 30 0A 79 -9,-2.6 -9,-3.7 2,-0.0 2,-0.4 -0.937 39.8-131.6-114.1 136.1 26.2 -26.1 35.5 40 922 A M E +C 29 0A 76 -2,-0.4 52,-0.7 -11,-0.2 2,-0.3 -0.704 33.4 172.3 -86.8 131.9 28.6 -23.4 34.5 41 923 A V E -CD 28 91A 0 -13,-2.6 -13,-2.7 -2,-0.4 2,-0.5 -0.973 31.4-127.9-138.2 153.0 27.0 -20.3 33.1 42 924 A A E -CD 27 90A 9 48,-2.5 48,-3.1 -2,-0.3 2,-0.5 -0.889 24.6-162.1-100.7 131.3 28.2 -16.7 32.1 43 925 A V E -CD 26 89A 2 -17,-2.9 -17,-2.5 -2,-0.5 2,-0.4 -0.978 1.9-162.9-118.4 121.6 26.2 -13.9 33.7 44 926 A K E -CD 25 88A 15 44,-2.6 44,-2.7 -2,-0.5 2,-0.3 -0.891 12.2-178.7-102.8 132.8 26.3 -10.3 32.3 45 927 A A E -C 24 0A 26 -21,-2.7 -21,-2.4 -2,-0.4 2,-0.3 -0.968 30.6-111.7-132.4 148.2 25.2 -7.5 34.5 46 928 A L E -C 23 0A 43 40,-0.5 -23,-0.3 -2,-0.3 2,-0.1 -0.588 41.1-114.7 -73.1 138.2 24.9 -3.7 33.9 47 929 A K > - 0 0 60 -25,-3.8 3,-0.9 -2,-0.3 2,-0.2 -0.401 33.3 -97.9 -73.0 152.6 27.4 -1.7 36.0 48 930 A E T 3 S+ 0 0 206 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.541 110.3 50.6 -68.3 131.4 26.1 0.6 38.7 49 931 A G T 3 S+ 0 0 84 1,-0.4 2,-0.6 -2,-0.2 -1,-0.2 0.463 71.9 129.0 115.3 4.5 26.0 4.1 37.3 50 932 A C < - 0 0 14 -3,-0.9 -1,-0.4 -28,-0.1 -4,-0.0 -0.866 50.4-143.5 -93.2 117.5 24.1 3.3 34.1 51 933 A G > - 0 0 32 -2,-0.6 4,-2.5 -3,-0.1 3,-0.5 -0.020 34.1 -79.4 -72.0-177.8 21.2 5.7 33.8 52 934 A P H > S+ 0 0 87 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.755 127.9 56.2 -59.3 -25.5 17.7 5.1 32.5 53 935 A Q H > S+ 0 0 180 2,-0.2 4,-1.6 1,-0.2 3,-0.1 0.909 112.4 41.2 -73.4 -38.2 18.7 5.3 28.9 54 936 A L H > S+ 0 0 64 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.881 110.9 58.0 -72.0 -38.9 21.4 2.6 29.3 55 937 A R H X S+ 0 0 138 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.780 108.3 46.8 -59.3 -33.2 18.9 0.6 31.5 56 938 A S H X S+ 0 0 64 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.868 110.8 50.8 -76.3 -43.4 16.4 0.6 28.5 57 939 A G H X S+ 0 0 22 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.884 105.3 58.0 -59.8 -40.6 19.1 -0.4 26.0 58 940 A W H X S+ 0 0 11 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.867 104.8 50.5 -56.5 -42.2 20.0 -3.3 28.4 59 941 A Q H X S+ 0 0 103 -4,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.906 111.7 48.0 -62.3 -44.0 16.4 -4.6 28.1 60 942 A R H X S+ 0 0 137 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.812 109.1 53.9 -65.2 -37.0 16.6 -4.5 24.3 61 943 A E H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 3,-0.3 0.963 108.0 48.6 -63.3 -52.2 20.0 -6.3 24.4 62 944 A I H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.895 113.4 49.5 -53.0 -42.4 18.6 -9.2 26.5 63 945 A E H X S+ 0 0 89 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.834 106.9 53.8 -66.1 -38.8 15.7 -9.3 23.9 64 946 A I H X S+ 0 0 13 -4,-2.1 4,-1.3 -3,-0.3 3,-0.3 0.940 113.0 42.6 -61.5 -50.9 18.0 -9.3 20.9 65 947 A L H < S+ 0 0 3 -4,-2.1 11,-0.4 2,-0.2 -2,-0.2 0.826 108.5 58.8 -64.8 -35.9 20.0 -12.4 22.2 66 948 A R H < S+ 0 0 122 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 111.6 44.6 -56.0 -39.7 16.7 -14.1 23.3 67 949 A T H < S+ 0 0 46 -4,-1.4 2,-0.4 -3,-0.3 -2,-0.2 0.708 94.6 91.4 -74.9 -39.1 15.8 -13.8 19.5 68 950 A L < + 0 0 7 -4,-1.3 2,-0.4 -5,-0.1 8,-0.4 -0.598 44.9 174.2 -78.6 128.5 19.1 -15.0 17.9 69 951 A Y + 0 0 180 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.931 24.4 126.6-133.8 102.9 19.6 -18.7 17.1 70 952 A H > - 0 0 48 -2,-0.4 3,-1.1 3,-0.3 52,-0.1 -0.972 62.3-122.8-154.3 152.4 22.8 -19.6 15.3 71 953 A E T 3 S+ 0 0 108 -2,-0.3 4,-0.1 1,-0.2 51,-0.1 0.609 114.4 49.8 -71.3 -16.7 25.7 -22.1 15.9 72 954 A H T 3 S+ 0 0 7 78,-0.1 79,-2.6 2,-0.1 2,-0.4 0.020 97.3 81.6-114.5 23.4 28.2 -19.2 15.8 73 955 A I B < S-f 151 0B 2 -3,-1.1 -3,-0.3 77,-0.3 79,-0.2 -0.999 90.9-104.1-128.9 128.2 26.3 -17.0 18.3 74 956 A V - 0 0 4 77,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.241 45.8-112.3 -51.2 128.7 26.6 -17.4 22.2 75 957 A K - 0 0 116 -4,-0.1 16,-1.9 -6,-0.1 2,-0.3 -0.534 18.4-131.3 -74.1 136.1 23.4 -19.1 23.4 76 958 A Y E + E 0 90A 46 -11,-0.4 14,-0.3 -8,-0.4 3,-0.1 -0.656 26.7 176.4 -78.0 135.7 20.9 -17.2 25.6 77 959 A K E - 0 0 66 12,-2.9 2,-0.3 1,-0.4 13,-0.2 0.701 47.3 -85.5-110.6 -33.4 20.0 -19.4 28.6 78 960 A G E - E 0 89A 0 11,-2.0 11,-2.5 2,-0.0 -1,-0.4 -0.990 43.7 -67.0 162.1-159.2 17.8 -17.1 30.6 79 961 A C E -aE 5 88A 17 -75,-2.4 -73,-1.7 -2,-0.3 2,-0.5 -0.917 16.3-146.3-131.7 155.8 17.6 -14.3 33.2 80 962 A C E - E 0 87A 1 7,-2.2 7,-2.2 -2,-0.3 2,-0.4 -0.972 25.3-160.9-125.1 105.3 18.3 -13.7 36.9 81 963 A E E E 0 86A 143 -2,-0.5 -73,-0.3 -75,-0.3 5,-0.2 -0.764 360.0 360.0 -93.2 136.6 15.8 -11.1 38.3 82 964 A D 0 0 99 3,-2.0 -1,-0.1 -2,-0.4 4,-0.1 0.730 360.0 360.0-110.3 360.0 16.4 -9.2 41.6 83 ! 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 84 968 A K 0 0 223 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 102.8 15.7 -4.8 41.7 85 969 A S - 0 0 84 -5,-0.0 -3,-2.0 2,-0.0 2,-0.4 -0.899 360.0-116.5-138.7 161.7 17.8 -5.4 38.5 86 970 A V E - E 0 81A 23 -2,-0.3 -40,-0.5 -5,-0.2 2,-0.4 -0.902 19.2-165.4-111.4 132.4 18.1 -8.0 35.6 87 971 A Q E - E 0 80A 25 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.6 -0.904 19.1-130.4-111.0 139.9 21.1 -10.1 34.8 88 972 A L E -DE 44 79A 0 -44,-2.7 -44,-2.6 -2,-0.4 2,-0.5 -0.843 16.8-155.3 -97.0 117.9 21.6 -12.0 31.5 89 973 A V E +DE 43 78A 0 -11,-2.5 -12,-2.9 -2,-0.6 -11,-2.0 -0.812 20.9 167.6 -97.0 121.2 22.5 -15.7 31.7 90 974 A M E -DE 42 76A 8 -48,-3.1 -48,-2.5 -2,-0.5 -14,-0.2 -0.810 40.6 -80.7-123.5 169.5 24.3 -17.2 28.7 91 975 A E E -D 41 0A 24 -16,-1.9 2,-0.5 -2,-0.3 -50,-0.2 -0.273 42.4-114.8 -67.8 156.1 26.2 -20.5 28.1 92 976 A Y - 0 0 64 -52,-0.7 -52,-0.1 -51,-0.1 -1,-0.1 -0.822 24.3-161.2 -96.3 127.1 29.7 -21.0 29.3 93 977 A V > - 0 0 12 -2,-0.5 3,-1.0 51,-0.1 50,-0.2 -0.956 9.6-148.9-110.2 110.2 32.3 -21.5 26.5 94 978 A P T 3 S+ 0 0 52 0, 0.0 50,-0.2 0, 0.0 -1,-0.1 0.621 84.2 56.7 -62.0 -16.1 35.5 -23.1 27.8 95 979 A L T 3 S- 0 0 66 48,-1.9 49,-0.2 1,-0.2 2,-0.0 0.602 89.8-146.3 -94.6 -9.7 38.1 -21.6 25.5 96 980 A G E < -G 143 0B 29 -3,-1.0 47,-2.8 47,-0.5 -1,-0.2 -0.246 39.1 -26.5 80.3-167.9 37.6 -17.8 26.0 97 981 A S E > -G 142 0B 9 45,-0.2 4,-2.6 1,-0.1 3,-0.4 -0.438 51.7-120.1 -82.1 156.9 38.0 -14.9 23.6 98 982 A L H > S+ 0 0 0 43,-2.2 4,-2.3 40,-1.2 41,-0.2 0.819 116.2 61.6 -65.2 -26.8 40.2 -14.8 20.5 99 983 A R H 4 S+ 0 0 121 39,-0.8 -1,-0.2 42,-0.3 40,-0.1 0.887 115.4 31.4 -64.5 -37.5 41.9 -11.8 22.2 100 984 A D H 4 S+ 0 0 69 -3,-0.4 4,-0.3 38,-0.2 -2,-0.2 0.736 122.1 49.1 -91.2 -26.1 42.9 -14.1 25.1 101 985 A Y H >< S+ 0 0 16 -4,-2.6 3,-0.8 1,-0.1 4,-0.3 0.902 103.6 58.4 -78.1 -47.2 43.3 -17.4 23.2 102 986 A L G >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 -3,-0.1 0.836 96.7 55.6 -58.3 -44.7 45.5 -16.2 20.3 103 987 A P G 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.755 118.0 36.3 -63.9 -19.1 48.7 -14.8 22.1 104 988 A R G < S+ 0 0 183 -3,-0.8 2,-0.3 -4,-0.3 -2,-0.2 0.209 106.5 73.2-118.3 9.4 49.2 -18.1 23.9 105 989 A H S < S- 0 0 73 -3,-1.0 2,-0.7 -4,-0.3 -4,-0.0 -0.929 76.3-121.3-126.9 151.2 48.2 -20.8 21.3 106 990 A C + 0 0 126 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.844 40.3 172.7 -89.2 114.5 49.8 -22.1 18.2 107 991 A V - 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0 0 13 -3,-1.7 15,-0.1 17,-0.1 -3,-0.0 -0.754 63.4-131.3-102.1 136.5 34.9 1.7 12.5 181 1065 A A >> - 0 0 0 -2,-0.4 4,-1.2 13,-0.3 3,-0.6 -0.271 31.7-112.7 -68.0 153.8 34.4 2.6 8.9 182 1066 A P H 3> S+ 0 0 3 0, 0.0 4,-3.9 0, 0.0 5,-0.3 0.878 111.2 63.2 -61.5 -35.0 34.6 6.4 8.0 183 1067 A E H 3> S+ 0 0 11 83,-0.3 4,-1.5 1,-0.2 6,-1.2 0.796 107.7 40.2 -61.6 -33.5 30.8 6.6 7.1 184 1068 A C H <4 S+ 0 0 14 -3,-0.6 4,-0.3 4,-0.2 -1,-0.2 0.721 118.8 48.2 -87.6 -17.3 29.7 5.8 10.7 185 1069 A L H < S+ 0 0 12 -4,-1.2 -2,-0.2 -3,-0.1 -1,-0.1 0.923 125.0 29.0 -80.5 -46.2 32.5 8.0 12.1 186 1070 A K H < S+ 0 0 124 -4,-3.9 -3,-0.2 -5,-0.1 -2,-0.2 0.933 134.9 26.0 -78.3 -54.7 31.7 11.0 9.8 187 1071 A E S < S- 0 0 79 -4,-1.5 -3,-0.2 -5,-0.3 -1,-0.1 0.440 94.2-125.2 -93.8 -6.8 27.9 10.7 9.1 188 1072 A C + 0 0 29 -4,-0.3 -19,-2.3 1,-0.2 2,-0.6 0.668 69.5 132.2 66.2 19.6 26.8 8.8 12.3 189 1073 A K E -J 168 0D 51 -6,-1.2 2,-0.8 -21,-0.2 -21,-0.2 -0.912 43.5-161.6-106.4 113.2 25.2 6.2 9.9 190 1074 A F E -J 167 0D 2 -23,-2.8 -23,-2.0 -2,-0.6 2,-0.1 -0.847 15.9-172.3-100.2 105.9 26.1 2.6 10.7 191 1075 A Y E >> -J 166 0D 54 -2,-0.8 3,-0.8 -25,-0.2 4,-0.7 -0.383 41.9-108.1 -85.8 170.2 25.4 0.4 7.7 192 1076 A Y H >> S+ 0 0 26 -27,-1.4 3,-1.3 1,-0.2 4,-0.9 0.939 126.3 56.7 -60.9 -41.4 25.4 -3.4 7.3 193 1077 A A H 3> S+ 0 0 22 1,-0.3 4,-1.4 -28,-0.2 -1,-0.2 0.659 93.8 67.7 -61.6 -21.4 28.7 -2.7 5.3 194 1078 A S H <> S+ 0 0 0 -3,-0.8 4,-1.3 2,-0.2 -13,-0.3 0.834 98.3 50.6 -69.5 -32.1 30.0 -0.9 8.4 195 1079 A D H S+ 0 0 12 -4,-2.2 5,-2.7 2,-0.2 3,-0.4 0.885 109.0 52.3 -60.1 -41.8 43.7 -8.9 14.8 206 1090 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.946 110.1 48.1 -59.0 -48.4 43.7 -12.7 13.9 207 1091 A L H 3<5S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.649 113.0 46.3 -71.8 -13.4 46.7 -12.3 11.7 208 1092 A T T ><5S- 0 0 6 -4,-1.1 3,-2.0 -3,-0.4 -1,-0.3 0.230 109.4-125.1-103.7 5.9 48.6 -10.4 14.4 209 1093 A Y T < 5 - 0 0 46 -3,-1.8 -3,-0.2 1,-0.3 3,-0.1 0.771 65.6 -66.3 50.5 32.7 47.5 -13.1 16.9 210 1094 A C T 3 S- 0 0 25 -4,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.163 71.0-115.6 -57.8 147.2 47.0 -3.7 17.9 216 1100 A P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.884 117.2 55.9 -50.7 -39.1 44.7 -1.1 16.2 217 1101 A H H > S+ 0 0 106 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.969 112.2 39.2 -54.0 -65.4 44.9 1.0 19.3 218 1102 A T H > S+ 0 0 51 -6,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.852 119.1 48.7 -51.8 -46.5 48.8 1.2 19.3 219 1103 A K H X S+ 0 0 52 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.863 118.3 37.9 -66.1 -41.6 48.9 1.5 15.4 220 1104 A F H X S+ 0 0 12 -4,-3.0 4,-3.0 -5,-0.2 5,-0.4 0.818 114.7 54.4 -79.1 -32.2 46.3 4.3 15.2 221 1105 A T H X S+ 0 0 26 -4,-3.0 4,-1.7 -5,-0.3 -2,-0.2 0.814 104.0 58.2 -66.2 -33.0 47.6 6.0 18.4 222 1106 A E H < S+ 0 0 123 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.856 116.9 32.9 -62.0 -40.1 51.0 6.0 16.6 223 1107 A L H < S+ 0 0 97 -4,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.936 131.0 30.1 -81.7 -54.3 49.4 8.1 13.8 224 1108 A I H < S- 0 0 31 -4,-3.0 2,-0.2 1,-0.2 -3,-0.2 0.747 95.7-151.5 -76.3 -36.0 46.8 10.3 15.7 225 1109 A G < - 0 0 29 -4,-1.7 2,-0.7 -5,-0.4 -1,-0.2 -0.572 52.6 -12.6 90.9-154.7 48.7 10.5 19.0 226 1110 A H S S+ 0 0 186 -2,-0.2 2,-0.3 -4,-0.1 -5,-0.0 -0.767 81.1 149.5 -88.2 113.0 46.9 11.0 22.3 227 1111 A T - 0 0 39 -2,-0.7 2,-0.3 2,-0.0 -2,-0.1 -0.937 25.8-159.3-139.2 159.9 43.2 11.9 21.8 228 1112 A Q >> - 0 0 172 -2,-0.3 3,-1.5 0, 0.0 4,-0.8 -0.919 52.0 -19.3-139.1 159.8 39.8 11.4 23.6 229 1113 A G H >> S- 0 0 31 -2,-0.3 4,-1.4 1,-0.3 3,-0.6 -0.020 126.2 -3.7 45.7-130.9 36.1 11.5 22.6 230 1114 A Q H 3> S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.669 127.6 67.5 -67.1 -17.9 35.1 13.3 19.4 231 1115 A M H <> S+ 0 0 86 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.919 102.7 46.1 -67.1 -42.8 38.8 14.4 18.9 232 1116 A T H S+ 0 0 11 -4,-1.7 5,-1.8 2,-0.1 4,-0.6 0.884 115.4 49.1 -66.4 -50.7 43.2 9.4 8.2 240 1124 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.8 2,-0.2 -2,-0.2 0.950 111.2 42.1 -61.8 -59.9 40.6 7.0 6.7 241 1125 A E H 3<5S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.687 108.1 64.6 -67.0 -12.7 38.9 8.9 3.9 242 1126 A R H 3<5S- 0 0 158 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.734 126.1-105.0 -71.2 -31.5 42.5 10.1 3.0 243 1127 A G T <<5S+ 0 0 39 -3,-1.8 -3,-0.2 -4,-0.6 -2,-0.1 0.226 70.1 145.2 121.5 -9.4 43.2 6.4 2.3 244 1128 A E < + 0 0 72 -5,-1.8 -1,-0.3 1,-0.0 2,-0.3 -0.398 21.2 174.8 -65.6 130.4 45.3 5.3 5.3 245 1129 A R - 0 0 39 -2,-0.1 16,-0.0 1,-0.1 -1,-0.0 -0.865 40.6 -80.0-129.7 162.7 44.7 1.6 6.4 246 1130 A L - 0 0 6 -2,-0.3 -1,-0.1 1,-0.1 15,-0.0 -0.297 61.2-102.3 -60.3 147.0 46.2 -0.8 9.0 247 1131 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.135 38.0 -86.0 -70.8 173.4 49.5 -2.3 7.7 248 1132 A R - 0 0 116 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.703 56.4-121.3 -74.1 118.6 50.0 -5.9 6.3 249 1133 A P > - 0 0 1 0, 0.0 3,-1.8 0, 0.0 -41,-0.1 -0.242 35.0 -82.6 -62.5 157.8 50.7 -8.0 9.5 250 1134 A D T 3 S+ 0 0 123 1,-0.3 0, 0.0 -42,-0.0 0, 0.0 -0.420 117.1 8.7 -60.2 130.9 54.0 -9.9 9.9 251 1135 A R T 3 S+ 0 0 198 1,-0.2 -1,-0.3 -3,-0.1 -43,-0.0 0.500 92.8 142.6 71.5 12.3 53.7 -13.3 8.0 252 1136 A C < - 0 0 2 -3,-1.8 -1,-0.2 2,-0.0 2,-0.2 -0.717 53.0-125.0 -85.3 122.2 50.4 -12.3 6.4 253 1137 A P >> - 0 0 34 0, 0.0 3,-2.2 0, 0.0 4,-1.3 -0.482 22.2-121.1 -65.8 133.4 50.0 -13.6 2.7 254 1138 A C H 3> S+ 0 0 76 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.792 110.2 58.7 -40.9 -47.6 49.2 -10.6 0.3 255 1139 A E H 3> S+ 0 0 86 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.738 106.2 49.3 -58.5 -27.7 45.9 -12.2 -0.9 256 1140 A I H <> S+ 0 0 2 -3,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.873 109.9 50.1 -77.7 -40.3 44.6 -12.2 2.8 257 1141 A Y H X S+ 0 0 36 -4,-1.3 4,-2.8 1,-0.2 -2,-0.2 0.847 107.5 54.6 -64.5 -35.0 45.6 -8.6 3.3 258 1142 A H H X S+ 0 0 104 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.804 105.3 53.6 -66.3 -30.9 43.7 -7.8 0.0 259 1143 A L H X S+ 0 0 13 -4,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.903 109.9 47.0 -68.1 -43.3 40.7 -9.4 1.6 260 1144 A M H >X S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 4,-0.7 0.957 112.4 50.1 -59.6 -52.3 41.2 -7.1 4.6 261 1145 A K H 3< S+ 0 0 90 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.794 106.9 54.8 -58.0 -34.6 41.5 -4.1 2.1 262 1146 A N H >< S+ 0 0 80 -4,-2.0 3,-0.9 1,-0.2 -1,-0.3 0.828 106.9 49.6 -69.3 -32.1 38.3 -5.1 0.3 263 1147 A C H << S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.619 109.9 56.5 -76.6 -17.1 36.4 -5.0 3.6 264 1148 A W T 3< S+ 0 0 4 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.024 71.6 143.4-103.8 18.5 38.1 -1.5 4.0 265 1149 A E < - 0 0 72 -3,-0.9 6,-0.1 1,-0.1 5,-0.1 -0.422 53.2-134.5 -59.5 133.9 36.8 0.1 0.8 266 1150 A T S S+ 0 0 64 1,-0.1 2,-0.9 -26,-0.1 -83,-0.3 0.939 96.3 70.0 -54.9 -46.5 36.0 3.8 1.5 267 1151 A E S > S- 0 0 101 1,-0.2 3,-2.4 3,-0.1 4,-0.2 -0.652 79.4-152.4 -78.3 103.6 32.7 3.4 -0.4 268 1152 A A G > S+ 0 0 11 -2,-0.9 3,-1.8 1,-0.3 -1,-0.2 0.822 93.0 58.8 -42.2 -47.6 30.6 1.2 1.9 269 1153 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.640 98.6 61.1 -62.2 -17.5 28.6 -0.3 -1.1 270 1154 A F G < S+ 0 0 144 -3,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.353 84.5 97.5 -91.4 2.3 31.9 -1.6 -2.7 271 1155 A R S < S- 0 0 14 -3,-1.8 -8,-0.2 -4,-0.2 -9,-0.1 -0.698 82.5-104.7 -89.7 147.5 32.7 -3.9 0.3 272 1156 A P - 0 0 25 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.142 34.5-118.2 -65.2 161.7 31.8 -7.7 0.2 273 1157 A T > - 0 0 66 1,-0.1 4,-1.8 -77,-0.0 5,-0.1 -0.595 21.1-114.1 -93.5 166.7 28.8 -8.9 2.2 274 1158 A F H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -150,-0.2 0.923 122.6 57.4 -64.3 -37.5 29.2 -11.5 5.0 275 1159 A Q H 4 S+ 0 0 151 1,-0.2 -1,-0.2 2,-0.2 -151,-0.0 0.851 110.9 42.6 -54.8 -40.3 27.1 -13.8 2.6 276 1160 A N H > S+ 0 0 72 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.746 109.3 58.6 -78.8 -32.1 30.0 -13.3 -0.0 277 1161 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.825 91.3 69.8 -69.8 -34.4 32.8 -13.6 2.6 278 1162 A V H X S+ 0 0 30 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.944 105.3 36.5 -51.8 -60.8 31.8 -17.2 3.7 279 1163 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.815 113.8 58.8 -64.0 -30.4 32.8 -19.0 0.4 280 1164 A I H X S+ 0 0 84 -4,-0.9 4,-1.9 1,-0.2 -2,-0.2 0.908 110.9 41.2 -62.5 -43.2 35.9 -16.7 -0.1 281 1165 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 -3,-0.3 -1,-0.2 0.839 109.5 58.9 -73.8 -34.9 37.3 -17.8 3.3 282 1166 A Q H X S+ 0 0 82 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.916 111.8 41.6 -57.7 -46.4 36.3 -21.5 2.7 283 1167 A T H X S+ 0 0 85 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.885 115.1 49.8 -67.3 -44.3 38.5 -21.4 -0.5 284 1168 A A H X S+ 0 0 6 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.917 111.3 50.3 -60.9 -42.2 41.2 -19.5 1.3 285 1169 A Q H < S+ 0 0 34 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 112.7 46.7 -60.4 -43.6 41.0 -22.1 4.2 286 1170 A E H < S+ 0 0 125 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 103.7 62.1 -68.9 -41.9 41.3 -24.9 1.5 287 1171 A K H < S+ 0 0 136 -4,-2.7 2,-0.7 1,-0.1 -2,-0.2 0.857 101.1 55.5 -50.6 -47.1 44.3 -23.2 -0.2 288 1172 A Y < 0 0 59 -4,-1.4 -1,-0.1 1,-0.3 -4,-0.0 -0.850 360.0 360.0 -97.8 103.6 46.5 -23.5 2.9 289 1173 A Q 0 0 196 -2,-0.7 -1,-0.3 -179,-0.0 -2,-0.0 0.922 360.0 360.0 62.0 360.0 46.6 -27.2 4.0