==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-AUG-09 3IO7 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.J.ZUCCOLA,M.W.LEDEBOER,A.C.PIERCE . 284 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.5 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 0.4 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 . 1 0.4 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 1 1 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 0 2 1 0 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 . 2 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 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 1 842 A T 0 0 169 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 -7.1 7.5 -1.3 2 843 A Q - 0 0 138 71,-0.1 2,-0.6 73,-0.0 73,-0.1 -0.404 360.0-145.4 -92.1 152.5 -6.9 8.6 2.4 3 844 A F - 0 0 19 71,-0.7 2,-0.4 -2,-0.1 73,-0.4 -0.925 20.4-148.0-116.8 105.3 -4.3 8.2 5.1 4 845 A E > - 0 0 99 -2,-0.6 3,-1.4 1,-0.1 4,-0.2 -0.588 11.1-135.7 -75.1 126.8 -5.8 7.8 8.6 5 846 A E G > S+ 0 0 83 71,-0.4 3,-2.0 -2,-0.4 -1,-0.1 0.870 100.2 57.9 -35.6 -59.7 -3.9 9.2 11.5 6 847 A R G 3 S+ 0 0 195 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.677 102.0 55.5 -57.5 -24.4 -4.3 6.1 13.8 7 848 A H G < S+ 0 0 18 -3,-1.4 20,-2.5 2,-0.1 2,-0.8 0.292 78.5 101.7-100.0 9.8 -2.7 3.8 11.3 8 849 A L E < -A 26 0A 26 -3,-2.0 2,-0.5 18,-0.2 18,-0.2 -0.848 57.8-164.5 -90.0 107.9 0.6 5.7 10.9 9 850 A K E -A 25 0A 58 16,-2.8 16,-2.0 -2,-0.8 2,-0.2 -0.820 18.3-124.5 -95.9 128.1 3.1 3.8 13.1 10 851 A F E +A 24 0A 122 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.499 38.0 161.6 -67.4 132.8 6.4 5.5 14.0 11 852 A L E - 0 0 62 12,-2.3 2,-0.3 1,-0.3 13,-0.2 0.685 58.8 -15.8-113.1 -54.0 9.4 3.6 13.0 12 853 A Q E -A 23 0A 116 11,-1.6 11,-3.1 0, 0.0 -1,-0.3 -0.997 54.8-111.4-156.6 145.1 12.4 6.0 13.0 13 854 A Q E +A 22 0A 100 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.477 31.6 178.3 -61.9 144.4 13.4 9.6 12.9 14 855 A L E - 0 0 77 7,-2.2 2,-0.3 1,-0.3 8,-0.2 0.642 47.2 -59.9-122.1 -39.3 15.0 10.5 9.6 15 856 A G E -A 21 0A 25 6,-1.5 6,-2.9 2,-0.0 2,-0.4 -0.976 41.2 -87.6 173.1 177.5 15.9 14.2 9.7 16 857 A K E A 20 0A 136 -2,-0.3 4,-0.2 4,-0.2 -3,-0.0 -0.933 360.0 360.0-112.1 133.3 15.2 17.9 10.1 17 858 A G 0 0 75 2,-2.6 3,-0.1 -2,-0.4 120,-0.0 -0.198 360.0 360.0 -66.2 360.0 14.2 20.2 7.2 18 ! 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 19 861 A G 0 0 32 0, 0.0 -2,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-168.6 9.7 20.2 9.3 20 862 A S E -AB 16 41A 3 21,-2.9 21,-2.1 -4,-0.2 2,-0.5 -0.937 360.0-140.3-122.0 156.2 10.8 16.8 10.5 21 863 A V E -AB 15 40A 33 -6,-2.9 -7,-2.2 -2,-0.3 -6,-1.5 -0.969 22.5-176.9-121.9 123.7 11.0 13.7 8.3 22 864 A E E -AB 13 39A 24 17,-2.5 17,-2.7 -2,-0.5 2,-0.5 -0.884 27.0-129.4-124.7 149.2 10.0 10.3 9.7 23 865 A M E +AB 12 38A 38 -11,-3.1 -12,-2.3 -2,-0.3 -11,-1.6 -0.859 41.7 170.1 -93.5 124.5 9.9 6.7 8.5 24 866 A C E -AB 10 37A 8 13,-2.3 13,-2.8 -2,-0.5 2,-0.6 -0.928 35.1-128.4-135.2 156.4 6.5 5.1 9.2 25 867 A R E -AB 9 36A 67 -16,-2.0 -16,-2.8 -2,-0.3 2,-1.2 -0.948 14.4-149.4-103.6 118.9 4.4 2.1 8.4 26 868 A Y E +AB 8 35A 33 9,-2.7 9,-0.6 -2,-0.6 -18,-0.2 -0.794 31.9 167.1 -80.3 99.7 0.9 2.8 7.1 27 869 A D > + 0 0 1 -20,-2.5 3,-1.3 -2,-1.2 5,-0.1 -0.631 17.3 157.2-121.9 70.3 -0.7 -0.3 8.6 28 870 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -20,-0.1 0.693 78.8 57.9 -67.3 -14.7 -4.5 -0.1 8.4 29 871 A L T 3 S- 0 0 133 -3,-0.1 -2,-0.0 -22,-0.1 -3,-0.0 0.478 100.1-136.0 -91.5 -4.3 -4.6 -3.9 8.6 30 872 A Q S < S+ 0 0 107 -3,-1.3 -3,-0.0 1,-0.1 -23,-0.0 0.652 79.1 96.6 56.5 25.6 -2.7 -4.1 12.0 31 873 A D S S- 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.269 97.9-107.4-119.9 11.6 -0.4 -7.0 11.2 32 874 A N S S+ 0 0 98 -5,-0.1 -5,-0.1 1,-0.1 -6,-0.0 0.812 89.2 115.6 66.0 34.0 2.7 -5.0 10.1 33 875 A T + 0 0 94 2,-0.1 -6,-0.1 -8,-0.0 -1,-0.1 0.302 45.8 117.0-106.5 5.5 2.3 -5.7 6.4 34 876 A G S S- 0 0 14 1,-0.1 -7,-0.2 -9,-0.1 2,-0.2 -0.202 74.7 -85.3 -72.5 163.8 1.6 -2.1 5.5 35 877 A E E -B 26 0A 107 -9,-0.6 -9,-2.7 -10,-0.1 2,-0.4 -0.458 34.9-128.1 -66.9 134.6 3.8 0.1 3.2 36 878 A V E +B 25 0A 37 -11,-0.2 51,-0.6 -2,-0.2 2,-0.2 -0.719 41.4 167.5 -79.3 133.4 6.7 1.9 4.7 37 879 A V E -BC 24 86A 0 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.4 -0.788 35.0-108.1-138.3 176.7 6.5 5.6 3.8 38 880 A A E -BC 23 85A 9 47,-2.8 47,-2.9 -2,-0.2 2,-0.5 -0.965 26.7-158.4-119.3 133.9 8.1 8.9 4.7 39 881 A V E -BC 22 84A 2 -17,-2.7 -17,-2.5 -2,-0.4 2,-0.5 -0.928 4.1-163.6-116.6 124.3 6.2 11.6 6.6 40 882 A K E +BC 21 83A 9 43,-2.8 43,-2.6 -2,-0.5 2,-0.3 -0.944 18.3 170.6-105.6 124.9 7.0 15.3 6.6 41 883 A K E -BC 20 82A 62 -21,-2.1 -21,-2.9 -2,-0.5 41,-0.2 -0.962 33.8-108.6-131.0 149.0 5.4 17.2 9.5 42 884 A L - 0 0 24 39,-0.7 3,-0.2 -2,-0.3 8,-0.0 -0.395 14.7-153.8 -71.9 153.5 5.9 20.8 10.6 43 885 A Q S S+ 0 0 82 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.770 91.7 22.1 -95.8 -35.7 7.7 21.5 13.9 44 886 A H S S- 0 0 153 2,-0.1 2,-0.9 5,-0.0 5,-0.2 -0.609 78.4-167.2-134.1 72.1 6.2 24.9 14.8 45 887 A S + 0 0 53 -3,-0.2 2,-0.3 -2,-0.2 3,-0.0 -0.488 22.3 156.5 -67.3 99.5 2.9 25.0 12.8 46 888 A T > - 0 0 77 -2,-0.9 4,-2.6 1,-0.0 5,-0.3 -0.846 58.6 -93.4-121.7 159.5 1.8 28.7 13.0 47 889 A E H > S+ 0 0 186 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.785 124.3 44.0 -47.5 -40.2 -0.5 30.4 10.5 48 890 A E H > S+ 0 0 128 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.958 118.1 42.8 -68.5 -53.0 2.3 31.8 8.3 49 891 A H H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.744 112.0 54.0 -65.7 -28.7 4.4 28.6 8.2 50 892 A L H X S+ 0 0 23 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.856 105.5 52.5 -76.3 -36.9 1.3 26.3 7.7 51 893 A R H X S+ 0 0 169 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.865 110.2 51.4 -60.5 -38.3 0.2 28.3 4.6 52 894 A D H X S+ 0 0 47 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.913 109.4 47.3 -63.1 -47.2 3.8 27.7 3.4 53 895 A F H X S+ 0 0 4 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.868 111.4 53.4 -64.0 -36.5 3.6 23.9 4.0 54 896 A E H X S+ 0 0 51 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.924 109.8 45.8 -61.3 -48.1 0.3 24.0 2.2 55 897 A R H X S+ 0 0 91 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.888 110.7 54.6 -63.1 -42.1 1.7 25.7 -0.9 56 898 A E H X S+ 0 0 22 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.851 106.3 51.3 -56.4 -43.1 4.7 23.3 -0.8 57 899 A I H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.898 108.6 50.7 -66.0 -42.2 2.3 20.3 -0.9 58 900 A E H X S+ 0 0 108 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.872 110.6 51.7 -59.9 -38.4 0.5 21.7 -3.9 59 901 A I H < S+ 0 0 12 -4,-2.0 3,-0.4 2,-0.2 -2,-0.2 0.978 113.8 41.3 -59.7 -57.8 3.9 22.1 -5.5 60 902 A L H >< S+ 0 0 4 -4,-2.6 3,-2.1 1,-0.2 11,-0.3 0.908 110.9 56.0 -58.6 -47.4 5.0 18.5 -4.9 61 903 A K H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.3 52.0 -54.8 -37.1 1.5 17.0 -5.8 62 904 A S T 3< S+ 0 0 41 -4,-1.3 2,-0.6 -3,-0.4 -1,-0.3 0.436 94.5 90.4 -80.9 0.7 1.7 18.7 -9.2 63 905 A L < + 0 0 7 -3,-2.1 2,-0.4 -4,-0.2 8,-0.4 -0.887 46.8 170.2-107.8 119.7 5.2 17.2 -9.9 64 906 A Q + 0 0 154 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.920 23.6 124.8-133.7 104.7 5.5 13.9 -11.6 65 907 A H > - 0 0 53 -2,-0.4 3,-1.9 3,-0.4 54,-0.0 -0.983 65.4-112.7-161.7 148.4 9.0 12.8 -12.8 66 908 A D T 3 S+ 0 0 99 -2,-0.3 4,-0.1 1,-0.3 53,-0.0 0.694 117.7 44.3 -58.0 -22.6 11.4 9.8 -12.4 67 909 A N T 3 S+ 0 0 10 48,-0.1 81,-3.1 80,-0.1 2,-0.4 0.056 97.5 81.3-118.2 22.1 13.8 12.0 -10.4 68 910 A I B < S-e 148 0B 3 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.994 89.8-105.3-124.1 134.7 11.3 13.8 -8.1 69 911 A V - 0 0 3 79,-2.3 2,-0.4 -2,-0.4 -6,-0.1 -0.285 43.5-104.5 -60.3 140.9 10.1 12.0 -5.0 70 912 A K - 0 0 108 -4,-0.1 16,-2.0 -6,-0.1 2,-0.3 -0.545 22.1-136.2 -77.1 123.6 6.6 10.7 -5.3 71 913 A Y E +D 85 0A 59 -2,-0.4 14,-0.2 -8,-0.4 3,-0.1 -0.597 25.2 176.7 -63.7 135.1 3.8 12.5 -3.5 72 914 A K E - 0 0 67 12,-2.7 2,-0.3 1,-0.4 13,-0.2 0.696 46.9 -73.3-115.3 -32.6 1.5 9.9 -1.9 73 915 A G E -D 84 0A 4 11,-1.3 11,-2.6 2,-0.0 -1,-0.4 -0.970 42.8 -83.9 160.9-173.2 -1.1 11.9 0.0 74 916 A V E -D 83 0A 12 -2,-0.3 -71,-0.7 9,-0.2 2,-0.5 -0.949 22.7-146.0-127.7 148.0 -1.9 14.1 3.0 75 917 A C E -D 82 0A 1 7,-2.6 7,-1.5 -2,-0.3 2,-0.2 -0.963 20.8-164.4-119.7 118.7 -2.8 13.2 6.6 76 918 A Y 0 0 113 -2,-0.5 -71,-0.4 -73,-0.4 5,-0.1 -0.615 360.0 360.0-101.1 155.1 -5.3 15.5 8.5 77 919 A S 0 0 92 3,-0.2 3,-1.2 -2,-0.2 -2,-0.0 -0.972 360.0 360.0-161.3 360.0 -6.3 16.0 12.1 78 ! 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 79 923 A R 0 0 175 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 110.5 -5.7 21.9 11.2 80 924 A N - 0 0 44 -3,-1.2 2,-0.4 2,-0.0 -3,-0.2 -0.968 360.0-143.3-137.3 120.8 -2.4 20.1 11.2 81 925 A L - 0 0 2 -2,-0.4 -39,-0.7 -5,-0.1 2,-0.5 -0.668 17.1-178.3-102.0 133.3 -0.6 18.6 8.1 82 926 A K E -CD 41 75A 29 -7,-1.5 -7,-2.6 -2,-0.4 2,-0.4 -0.986 19.6-149.3-118.2 116.1 1.4 15.5 7.5 83 927 A L E -CD 40 74A 1 -43,-2.6 -43,-2.8 -2,-0.5 2,-0.5 -0.734 11.6-150.1 -80.9 127.7 2.8 15.1 3.9 84 928 A I E +CD 39 73A 0 -11,-2.6 -12,-2.7 -2,-0.4 -11,-1.3 -0.889 22.6 170.5-106.3 126.1 3.1 11.4 2.9 85 929 A M E -CD 38 71A 12 -47,-2.9 -47,-2.8 -2,-0.5 -14,-0.2 -0.877 41.0 -83.7-131.5 161.3 5.9 10.5 0.4 86 930 A E E -C 37 0A 21 -16,-2.0 2,-0.7 -2,-0.3 -49,-0.2 -0.313 45.4-120.1 -57.8 146.4 7.5 7.4 -1.0 87 931 A Y - 0 0 70 -51,-0.6 -1,-0.1 -50,-0.1 -51,-0.1 -0.893 20.2-153.2 -92.3 118.3 10.2 6.0 1.2 88 932 A L > - 0 0 9 -2,-0.7 3,-1.8 1,-0.1 52,-0.3 -0.835 8.6-153.7 -95.8 104.6 13.5 5.9 -0.7 89 933 A P T 3 S+ 0 0 77 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.586 83.0 60.3 -65.3 -19.2 15.4 3.1 1.0 90 934 A Y T 3 S- 0 0 111 50,-1.9 51,-0.2 1,-0.2 6,-0.1 0.328 94.1-151.8 -93.1 6.9 19.0 4.1 0.3 91 935 A G < + 0 0 27 -3,-1.8 49,-3.0 49,-0.3 -1,-0.2 -0.108 45.4 5.5 67.7-155.0 18.6 7.4 2.2 92 936 A S B >> -F 139 0B 26 47,-0.2 4,-2.5 1,-0.1 3,-0.5 -0.459 57.0-137.8 -72.2 135.5 20.4 10.8 1.8 93 937 A L H 3> S+ 0 0 0 45,-2.8 4,-2.5 42,-0.5 5,-0.3 0.853 104.3 61.2 -61.3 -33.6 22.8 11.1 -1.2 94 938 A R H 3> S+ 0 0 80 41,-0.7 4,-1.1 44,-0.4 -1,-0.2 0.882 111.4 37.1 -58.9 -43.7 25.2 12.9 1.1 95 939 A D H <> S+ 0 0 70 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.843 113.4 57.0 -79.8 -37.8 25.4 9.9 3.4 96 940 A Y H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.858 107.7 47.6 -61.1 -41.3 25.3 7.3 0.5 97 941 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.864 113.3 49.2 -67.1 -38.2 28.4 8.9 -1.2 98 942 A Q H >< S+ 0 0 50 -4,-1.1 3,-0.9 -5,-0.3 -2,-0.2 0.887 112.3 48.2 -66.4 -41.0 30.2 9.0 2.2 99 943 A K H 3< S+ 0 0 162 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.974 120.1 34.9 -65.8 -53.6 29.4 5.3 2.8 100 944 A H T 3X S+ 0 0 60 -4,-2.3 4,-1.3 1,-0.2 3,-0.4 -0.038 85.8 171.0 -95.4 35.6 30.4 4.0 -0.6 101 945 A K T <4 S- 0 0 79 -3,-0.9 3,-0.5 1,-0.3 -1,-0.2 0.553 72.6 -3.9 -4.2 -96.5 33.3 6.5 -0.9 102 946 A E T 4 S+ 0 0 160 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.539 112.1 89.6 -96.3 -8.5 35.4 5.5 -4.0 103 947 A R T 4 S+ 0 0 183 -3,-0.4 2,-0.7 -6,-0.1 -1,-0.2 0.747 79.5 75.3 -52.4 -26.2 33.3 2.4 -4.7 104 948 A I S < S- 0 0 7 -4,-1.3 -1,-0.1 -3,-0.5 2,-0.1 -0.840 80.0-158.3 -90.9 110.3 31.3 4.9 -6.8 105 949 A D >> - 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0 0 17 -2,-0.4 4,-1.4 -25,-0.2 3,-1.0 -0.902 64.4 -86.6-151.6 169.3 15.6 32.5 -10.7 189 1033 A V H 3> S+ 0 0 54 -27,-0.5 4,-1.9 -2,-0.3 3,-0.4 0.900 126.8 57.9 -49.3 -42.3 16.3 29.4 -12.8 190 1034 A A H 3> S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.824 104.3 49.4 -61.9 -30.6 19.7 30.8 -13.4 191 1035 A S H <> S+ 0 0 3 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.711 106.9 54.9 -83.8 -21.4 20.5 30.9 -9.7 192 1036 A D H X S+ 0 0 3 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.823 105.1 55.3 -68.7 -38.4 19.3 27.3 -9.4 193 1037 A V H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.928 104.3 52.2 -59.3 -48.1 21.9 26.6 -12.1 194 1038 A W H X S+ 0 0 5 -4,-1.7 4,-1.6 1,-0.2 3,-0.3 0.934 110.1 49.8 -49.9 -49.1 24.6 28.2 -9.9 195 1039 A S H X S+ 0 0 5 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.846 105.0 57.1 -61.0 -37.6 23.5 25.9 -7.1 196 1040 A F H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.876 102.5 55.2 -60.7 -37.6 23.7 22.9 -9.4 197 1041 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 -3,-0.3 -2,-0.2 0.919 108.2 48.2 -61.4 -43.8 27.3 23.7 -10.1 198 1042 A V H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.820 109.1 53.2 -63.2 -34.5 28.0 23.6 -6.3 199 1043 A V H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.911 107.1 51.9 -67.1 -43.2 26.1 20.2 -6.2 200 1044 A L H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.871 108.7 51.8 -58.8 -37.7 28.4 18.9 -9.0 201 1045 A Y H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.939 108.6 50.6 -61.7 -47.8 31.3 20.1 -6.8 202 1046 A E H ><>S+ 0 0 9 -4,-2.2 5,-1.8 1,-0.2 3,-0.7 0.915 107.9 53.3 -56.3 -46.6 29.9 18.1 -3.8 203 1047 A L H ><5S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.956 109.7 46.6 -55.5 -52.0 29.5 15.0 -5.9 204 1048 A F H 3<5S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.587 107.7 55.1 -76.1 -10.2 33.1 15.0 -7.0 205 1049 A T T X<5S- 0 0 12 -4,-1.1 3,-1.6 -3,-0.7 -1,-0.3 0.434 108.1-125.8 -92.1 -2.1 34.6 15.6 -3.6 206 1050 A Y T < 5 - 0 0 25 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.811 58.1 -75.1 60.1 31.0 32.6 12.5 -2.4 207 1051 A I T 3 S+ 0 0 153 -2,-0.3 3,-0.6 1,-0.3 6,-0.3 0.732 97.1 58.2 -68.9 -28.7 33.6 17.3 4.9 210 1054 A S G 3 S+ 0 0 80 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.643 112.6 43.0 -72.7 -16.5 37.0 19.1 5.0 211 1055 A K G < S+ 0 0 64 -3,-1.4 -1,-0.2 -6,-0.1 -2,-0.2 0.337 88.2 126.1-107.8 3.7 36.5 19.9 1.3 212 1056 A S S <> S- 0 0 29 -3,-0.6 4,-2.7 -4,-0.3 5,-0.2 -0.147 75.1-105.5 -58.3 156.3 32.8 20.9 1.6 213 1057 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.890 120.0 49.1 -53.3 -48.6 31.6 24.4 0.2 214 1058 A P H > S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.948 113.7 47.0 -58.2 -45.5 31.3 26.0 3.7 215 1059 A A H > S+ 0 0 35 -6,-0.3 4,-1.8 1,-0.2 5,-0.1 0.944 115.6 46.4 -55.1 -48.6 34.8 24.7 4.7 216 1060 A E H X S+ 0 0 8 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.878 113.4 44.6 -67.5 -44.8 36.3 26.0 1.4 217 1061 A F H X S+ 0 0 9 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.904 110.8 55.9 -65.6 -42.2 34.7 29.5 1.3 218 1062 A M H X S+ 0 0 26 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.890 107.6 48.7 -55.3 -44.2 35.5 30.1 5.0 219 1063 A R H >< S+ 0 0 140 -4,-1.8 3,-0.7 -5,-0.2 -2,-0.2 0.983 111.2 50.5 -58.0 -56.2 39.2 29.3 4.3 220 1064 A M H 3< S+ 0 0 60 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.816 121.0 33.1 -52.5 -39.2 39.2 31.7 1.3 221 1065 A I H 3< S- 0 0 17 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.550 125.6 -95.4 -95.2 -8.5 37.6 34.6 3.3 222 1066 A G X< - 0 0 19 -4,-1.5 3,-1.7 -3,-0.7 -3,-0.2 0.404 19.5-111.5 98.4 125.9 39.2 33.7 6.7 223 1067 A N T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -4,-0.2 -4,-0.1 0.605 109.9 75.8 -60.8 -13.8 37.8 31.6 9.6 224 1068 A D T 3 S+ 0 0 114 -6,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.386 72.2 105.6 -78.3 -0.9 37.7 34.7 11.7 225 1069 A K < + 0 0 42 -3,-1.7 2,-0.3 -7,-0.2 -3,-0.1 -0.714 49.7 176.7 -84.0 136.8 34.6 35.9 9.7 226 1070 A Q > - 0 0 155 -2,-0.4 3,-1.6 0, 0.0 4,-0.2 -0.965 39.2 -21.4-143.9 153.1 31.2 35.5 11.6 227 1071 A G T >> S- 0 0 58 -2,-0.3 3,-1.9 1,-0.3 4,-0.7 -0.103 126.2 -3.0 47.7-140.6 27.5 36.3 11.1 228 1072 A Q H 3> S+ 0 0 167 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.686 124.9 72.4 -51.2 -25.3 26.6 38.9 8.6 229 1073 A M H <> S+ 0 0 84 -3,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.848 91.3 57.8 -61.5 -34.4 30.4 39.6 7.9 230 1074 A I H <> S+ 0 0 27 -3,-1.9 4,-2.5 -4,-0.2 -1,-0.2 0.917 106.2 49.0 -59.1 -44.3 30.5 36.2 6.1 231 1075 A V H X S+ 0 0 47 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.958 111.8 48.6 -60.2 -51.6 27.8 37.4 3.7 232 1076 A F H X S+ 0 0 113 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.943 116.0 42.1 -51.9 -53.4 29.6 40.7 3.1 233 1077 A H H X S+ 0 0 55 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.843 111.0 55.1 -72.2 -32.3 33.0 39.0 2.4 234 1078 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.885 106.3 52.2 -65.2 -39.8 31.6 36.2 0.3 235 1079 A I H X S+ 0 0 24 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.951 113.1 45.1 -58.4 -51.1 29.9 38.7 -2.0 236 1080 A E H X S+ 0 0 76 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.950 111.7 52.0 -55.8 -53.6 33.3 40.4 -2.4 237 1081 A L H ><>S+ 0 0 37 -4,-3.2 5,-2.3 1,-0.2 3,-0.6 0.920 114.6 42.1 -49.6 -50.5 35.1 37.1 -2.9 238 1082 A L H ><5S+ 0 0 3 -4,-2.6 3,-2.3 1,-0.2 -1,-0.2 0.896 106.2 60.4 -70.5 -42.0 32.7 36.0 -5.7 239 1083 A K H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 108.8 48.7 -51.4 -27.2 32.5 39.4 -7.4 240 1084 A N T <<5S- 0 0 119 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.077 125.2-100.2-104.4 22.3 36.3 38.9 -7.8 241 1085 A N T < 5 + 0 0 115 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.585 62.9 160.1 71.6 14.6 36.1 35.3 -9.2 242 1086 A G < + 0 0 15 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.574 20.6 171.6 -60.8 118.2 37.0 33.5 -6.0 243 1087 A R - 0 0 42 -2,-0.5 16,-0.0 -3,-0.1 -23,-0.0 -0.847 40.3 -85.4-127.1 164.9 35.7 30.0 -6.8 244 1088 A L - 0 0 2 -2,-0.3 -27,-0.0 1,-0.1 -1,-0.0 -0.466 56.7-106.5 -61.3 141.8 35.7 26.6 -5.2 245 1089 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.205 39.3 -87.4 -64.6 162.7 38.9 24.7 -6.3 246 1090 A R - 0 0 95 1,-0.1 3,-0.1 4,-0.0 2,-0.1 -0.585 53.4-111.1 -62.6 129.2 38.8 21.9 -8.8 247 1091 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 2,-0.3 -0.388 39.1 -92.7 -60.8 145.1 38.1 18.7 -6.8 248 1092 A D T 3 S+ 0 0 151 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.439 111.6 8.9 -60.9 120.5 41.0 16.2 -6.6 249 1093 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 -2,-0.3 -44,-0.0 0.479 90.8 144.8 87.6 3.6 40.8 13.7 -9.4 250 1094 A C < - 0 0 5 -3,-1.9 -1,-0.3 1,-0.1 5,-0.1 -0.637 51.6-118.0 -81.3 125.2 38.0 15.6 -11.2 251 1095 A P >> - 0 0 28 0, 0.0 4,-1.7 0, 0.0 3,-1.4 -0.276 22.8-112.3 -66.3 145.3 38.2 15.4 -15.0 252 1096 A D H 3> S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 3,-0.1 0.826 111.0 51.4 -32.4 -58.6 38.6 18.6 -17.0 253 1097 A E H 3> S+ 0 0 75 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.675 109.0 49.7 -73.3 -18.3 35.2 18.6 -18.7 254 1098 A I H <> S+ 0 0 1 -3,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.845 111.5 48.2 -84.2 -37.5 33.2 18.2 -15.5 255 1099 A Y H X S+ 0 0 61 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.899 106.4 59.1 -65.1 -41.4 35.1 21.0 -13.7 256 1100 A M H X S+ 0 0 106 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.890 103.0 53.3 -48.5 -46.5 34.5 23.1 -16.9 257 1101 A I H X S+ 0 0 3 -4,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.918 105.6 52.8 -57.9 -48.8 30.7 22.7 -16.3 258 1102 A M H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.905 108.5 49.5 -53.6 -46.8 30.9 23.9 -12.7 259 1103 A T H < S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 107.5 53.5 -72.3 -31.8 32.7 27.1 -13.7 260 1104 A E H >< S+ 0 0 67 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.857 108.9 51.3 -63.4 -35.4 30.1 27.9 -16.4 261 1105 A C H 3< S+ 0 0 0 -4,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.852 104.2 59.4 -66.6 -34.8 27.5 27.5 -13.7 262 1106 A W T 3< S+ 0 0 6 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 -0.117 74.1 140.7 -90.4 39.0 29.4 29.9 -11.5 263 1107 A N < - 0 0 50 -3,-0.8 6,-0.1 -2,-0.3 -69,-0.1 -0.679 49.6-146.2 -80.7 128.7 29.2 32.9 -14.0 264 1108 A N S S+ 0 0 52 -2,-0.4 2,-0.6 -26,-0.1 -84,-0.2 0.841 87.6 76.4 -62.4 -33.8 28.7 36.2 -12.3 265 1109 A N S > S- 0 0 78 1,-0.2 3,-0.8 3,-0.0 4,-0.3 -0.714 74.4-156.1 -78.9 115.3 26.7 37.3 -15.4 266 1110 A V G > S+ 0 0 53 -2,-0.6 3,-1.4 1,-0.2 -1,-0.2 0.872 87.1 61.4 -63.8 -38.9 23.3 35.5 -15.1 267 1111 A N G 3 S+ 0 0 144 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.793 102.1 53.9 -51.6 -34.5 22.5 35.6 -18.8 268 1112 A Q G < S+ 0 0 132 -3,-0.8 -1,-0.2 2,-0.0 -2,-0.2 0.369 78.5 106.5 -96.5 1.1 25.5 33.5 -19.6 269 1113 A R S < S- 0 0 16 -3,-1.4 -8,-0.2 -4,-0.3 -9,-0.0 -0.526 78.6-105.2 -70.9 144.7 24.9 30.5 -17.3 270 1114 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.266 31.6-110.8 -67.7 164.2 23.9 27.4 -19.2 271 1115 A S > - 0 0 42 1,-0.1 4,-2.1 -78,-0.0 5,-0.2 -0.596 22.2-117.8 -86.9 153.6 20.3 26.1 -19.2 272 1116 A F H > S+ 0 0 10 -2,-0.2 4,-1.9 1,-0.2 -151,-0.2 0.836 116.3 61.3 -60.0 -28.4 19.3 22.9 -17.4 273 1117 A R H > S+ 0 0 169 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.941 107.1 41.3 -62.6 -48.9 18.3 21.7 -20.9 274 1118 A D H > S+ 0 0 72 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.895 111.6 56.9 -63.5 -42.3 21.9 22.0 -22.3 275 1119 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.865 104.3 51.5 -60.6 -39.8 23.5 20.6 -19.2 276 1120 A A H X S+ 0 0 14 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.901 113.7 44.8 -63.2 -41.9 21.5 17.4 -19.4 277 1121 A L H X S+ 0 0 116 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.953 114.1 50.1 -63.8 -51.0 22.6 17.0 -23.1 278 1122 A R H X S+ 0 0 82 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.908 111.7 46.8 -52.6 -48.9 26.2 17.9 -22.2 279 1123 A V H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.887 112.3 49.5 -67.4 -40.5 26.3 15.4 -19.3 280 1124 A D H X S+ 0 0 53 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.837 108.1 54.8 -66.3 -34.9 24.9 12.6 -21.3 281 1125 A Q H X S+ 0 0 125 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.961 109.9 46.6 -59.2 -54.4 27.4 13.3 -24.1 282 1126 A I H X S+ 0 0 20 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.929 109.6 54.0 -53.7 -49.4 30.3 12.9 -21.7 283 1127 A R H < S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.1 47.0 -55.0 -41.1 28.8 9.7 -20.2 284 1128 A D H < S+ 0 0 134 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.840 107.3 56.9 -71.8 -34.7 28.6 8.1 -23.6 285 1129 A N H < 0 0 128 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.919 360.0 360.0 -61.0 -45.7 32.2 9.2 -24.5 286 1130 A M < 0 0 94 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.706 360.0 360.0 -70.5 360.0 33.4 7.3 -21.4