==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-DEC-10 3Q32 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 589 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 15.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 37 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 1 1 1 1 2 2 0 2 0 0 2 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 2 4 0 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 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 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 1 840 A D > 0 0 148 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.7 -27.0 49.2 -6.3 2 841 A P T 3 + 0 0 116 0, 0.0 73,-0.0 0, 0.0 0, 0.0 0.847 360.0 68.7 -69.3 -30.6 -24.4 47.3 -4.0 3 842 A T T 3 S+ 0 0 45 73,-0.1 74,-2.7 2,-0.1 2,-0.5 0.614 85.9 82.1 -59.4 -19.8 -21.5 48.6 -6.3 4 843 A Q B < -a 77 0A 88 -3,-0.9 2,-0.5 72,-0.2 74,-0.2 -0.830 68.2-165.0 -95.2 120.2 -22.3 52.2 -5.0 5 844 A F - 0 0 15 72,-2.0 74,-0.4 -2,-0.5 2,-0.4 -0.956 17.5-129.9-113.2 124.4 -20.6 52.8 -1.6 6 845 A E > - 0 0 88 -2,-0.5 3,-1.2 1,-0.1 74,-0.1 -0.606 11.5-145.7 -74.9 123.8 -21.6 55.7 0.7 7 846 A E G > S+ 0 0 66 72,-0.4 3,-1.8 -2,-0.4 -1,-0.1 0.850 94.6 61.1 -57.1 -44.9 -18.5 57.7 1.8 8 847 A R G 3 S+ 0 0 180 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.624 103.1 53.7 -59.8 -17.6 -19.9 58.7 5.3 9 848 A H G < S+ 0 0 28 -3,-1.2 21,-3.2 2,-0.0 2,-0.8 0.287 82.9 97.8-101.4 4.1 -20.2 54.9 6.2 10 849 A L E < -B 29 0A 24 -3,-1.8 2,-0.6 19,-0.2 19,-0.2 -0.864 59.7-162.7-100.4 98.0 -16.5 54.0 5.3 11 850 A K E -B 28 0A 63 17,-2.8 17,-2.2 -2,-0.8 2,-0.2 -0.788 17.7-128.7 -87.7 117.1 -14.5 54.1 8.7 12 851 A F E +B 27 0A 120 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.446 35.2 166.0 -63.3 132.2 -10.7 54.3 8.2 13 852 A L E - 0 0 81 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.741 59.3 -23.1-115.6 -38.0 -8.9 51.6 10.2 14 853 A Q E -B 26 0A 103 12,-1.9 12,-3.5 0, 0.0 -1,-0.4 -0.919 54.0-110.4-172.4 147.4 -5.4 51.7 8.8 15 854 A Q E -B 25 0A 77 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.671 30.9-179.9 -81.5 135.9 -3.1 52.6 5.8 16 855 A L E - 0 0 78 8,-3.7 2,-0.3 1,-0.4 9,-0.2 0.796 59.1 -1.9-105.3 -44.6 -1.8 49.4 4.1 17 856 A G E -B 24 0A 29 7,-1.7 7,-2.6 2,-0.0 -1,-0.4 -0.994 52.4-148.8-153.0 153.8 0.3 50.7 1.3 18 857 A K E -B 23 0A 154 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.929 15.2-173.2-122.1 142.5 1.5 53.8 -0.5 19 858 A G - 0 0 45 3,-3.5 5,-0.0 -2,-0.3 -2,-0.0 -0.610 43.2 -98.2-119.6-177.1 2.4 54.3 -4.2 20 859 A N S S+ 0 0 139 -2,-0.2 -1,-0.0 1,-0.2 3,-0.0 0.894 125.7 20.6 -69.8 -38.3 3.9 57.1 -6.2 21 860 A F S S- 0 0 50 25,-0.1 25,-1.7 24,-0.0 26,-0.7 0.221 131.3 -4.5-115.7 7.9 0.4 58.3 -7.3 22 861 A G E - C 0 45A 5 23,-0.3 -3,-3.5 24,-0.2 2,-0.3 -0.962 55.9-119.2-175.6-170.6 -1.9 56.7 -4.6 23 862 A S E -BC 18 44A 5 21,-2.4 21,-2.6 -2,-0.3 2,-0.4 -0.969 11.1-134.3-151.5 164.9 -2.6 54.5 -1.5 24 863 A V E -BC 17 43A 33 -7,-2.6 -8,-3.7 -2,-0.3 -7,-1.7 -0.997 25.3-169.6-127.8 129.1 -4.6 51.4 -0.1 25 864 A E E -BC 15 42A 18 17,-2.7 17,-2.7 -2,-0.4 2,-0.6 -0.870 25.2-128.9-122.1 152.7 -6.5 51.5 3.2 26 865 A M E +BC 14 41A 32 -12,-3.5 -13,-2.9 -2,-0.3 -12,-1.9 -0.890 43.4 167.2 -96.1 122.3 -8.2 49.0 5.5 27 866 A C E -BC 12 40A 4 13,-2.2 13,-3.1 -2,-0.6 2,-0.5 -0.933 35.8-131.3-132.1 162.6 -11.7 50.3 6.2 28 867 A R E -BC 11 39A 65 -17,-2.2 -17,-2.8 -2,-0.3 2,-1.0 -0.970 16.8-146.8-115.3 120.4 -14.9 49.1 7.7 29 868 A Y E +BC 10 38A 40 9,-2.8 9,-0.6 -2,-0.5 -19,-0.2 -0.826 29.5 168.5 -89.3 101.3 -18.0 49.8 5.5 30 869 A D > + 0 0 0 -21,-3.2 3,-0.7 -2,-1.0 5,-0.1 -0.698 14.0 160.0-118.1 78.4 -20.6 50.2 8.2 31 870 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.914 80.1 53.6 -65.9 -39.9 -23.9 51.7 6.8 32 871 A L T 3 S- 0 0 132 1,-0.1 -2,-0.0 -23,-0.1 -23,-0.0 0.591 99.0-141.2 -67.6 -13.1 -26.1 50.5 9.8 33 872 A Q S < S+ 0 0 98 -3,-0.7 -1,-0.1 -24,-0.1 -3,-0.1 0.421 73.6 111.6 62.9 8.9 -23.5 52.3 12.1 34 873 A D S S- 0 0 85 1,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.232 94.2-107.4 -91.0 8.3 -23.8 49.4 14.6 35 874 A N S S+ 0 0 91 -5,-0.1 -5,-0.1 1,-0.1 -6,-0.0 0.892 91.8 112.1 61.3 44.9 -20.2 48.2 14.0 36 875 A T + 0 0 94 2,-0.1 -6,-0.1 -7,-0.0 -7,-0.1 0.281 43.6 118.5-121.6 2.1 -21.4 45.0 12.0 37 876 A G - 0 0 11 1,-0.1 -7,-0.2 -9,-0.1 2,-0.2 -0.276 68.2-105.4 -70.0 155.7 -20.0 46.1 8.6 38 877 A E E -C 29 0A 111 -9,-0.6 -9,-2.8 -10,-0.1 2,-0.4 -0.517 29.2-112.5 -83.2 151.6 -17.4 44.2 6.8 39 878 A V E -C 28 0A 40 -11,-0.3 53,-0.6 -2,-0.2 -11,-0.3 -0.689 43.3-179.5 -81.4 130.9 -13.8 45.3 6.5 40 879 A V E -CD 27 91A 0 -13,-3.1 -13,-2.2 -2,-0.4 2,-0.4 -0.790 29.6-112.9-124.5 171.3 -12.8 46.2 2.9 41 880 A A E -CD 26 90A 10 49,-2.9 49,-3.3 -2,-0.2 2,-0.5 -0.931 29.1-163.3-109.2 129.9 -9.7 47.5 1.0 42 881 A V E -CD 25 89A 0 -17,-2.7 -17,-2.7 -2,-0.4 2,-0.4 -0.966 3.6-165.9-120.0 115.6 -10.0 51.0 -0.4 43 882 A K E +CD 24 88A 13 45,-2.7 45,-2.5 -2,-0.5 2,-0.3 -0.854 17.5 172.8 -99.0 134.8 -7.6 52.3 -3.1 44 883 A K E -CD 23 87A 53 -21,-2.6 -21,-2.4 -2,-0.4 2,-0.2 -0.959 30.1-109.8-139.9 160.4 -7.5 56.1 -3.7 45 884 A L E -C 22 0A 29 41,-0.7 -23,-0.3 40,-0.4 3,-0.1 -0.484 11.3-164.0 -86.7 154.8 -5.5 58.6 -5.6 46 885 A Q S S+ 0 0 89 -25,-1.7 2,-0.5 1,-0.2 -24,-0.2 0.560 77.5 65.2-111.5 -19.7 -3.1 61.2 -4.0 47 886 A H - 0 0 126 -26,-0.7 -1,-0.2 1,-0.1 5,-0.1 -0.945 69.5-151.6-113.0 114.4 -2.9 63.5 -7.1 48 887 A S + 0 0 124 -2,-0.5 -1,-0.1 -3,-0.1 5,-0.1 0.627 52.4 135.7 -52.0 -24.4 -6.1 65.3 -8.1 49 888 A T > - 0 0 44 1,-0.1 4,-1.4 3,-0.1 3,-0.2 0.170 60.3-133.4 -36.3 140.0 -4.9 65.4 -11.8 50 889 A E H > S+ 0 0 153 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.788 105.7 53.9 -65.9 -37.4 -7.2 64.6 -14.8 51 890 A E H > S+ 0 0 110 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.759 113.3 42.8 -70.8 -28.8 -4.5 62.3 -16.5 52 891 A H H > S+ 0 0 37 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.731 113.3 52.8 -85.9 -27.8 -4.2 60.2 -13.3 53 892 A L H X S+ 0 0 20 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.915 109.0 49.0 -72.5 -44.3 -8.0 60.2 -12.8 54 893 A R H X S+ 0 0 142 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 111.7 49.1 -60.7 -45.2 -8.5 58.9 -16.3 55 894 A D H X S+ 0 0 54 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.905 112.2 49.6 -58.5 -44.3 -5.9 56.1 -15.7 56 895 A F H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.864 108.7 50.9 -64.4 -40.3 -7.6 55.3 -12.4 57 896 A E H X S+ 0 0 65 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.887 111.5 48.9 -64.8 -38.5 -11.1 55.1 -14.1 58 897 A R H X S+ 0 0 80 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.901 110.3 51.5 -65.8 -41.0 -9.6 52.7 -16.7 59 898 A E H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.885 107.6 52.4 -61.8 -42.7 -8.0 50.7 -13.8 60 899 A I H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.924 111.6 46.9 -59.5 -43.7 -11.4 50.4 -12.1 61 900 A E H X S+ 0 0 105 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.825 109.7 52.4 -67.4 -39.4 -13.0 49.1 -15.4 62 901 A I H < S+ 0 0 10 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.948 114.7 42.7 -61.4 -50.7 -10.2 46.6 -15.9 63 902 A L H >< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 11,-0.3 0.886 110.1 55.1 -64.2 -43.1 -10.7 45.2 -12.4 64 903 A K H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.873 107.2 53.8 -54.7 -39.5 -14.6 45.2 -12.6 65 904 A S T 3< S+ 0 0 29 -4,-1.7 2,-0.5 -5,-0.1 -1,-0.3 0.486 92.9 90.5 -74.6 -7.6 -14.1 43.1 -15.8 66 905 A L < + 0 0 7 -3,-1.7 2,-0.4 -4,-0.2 8,-0.4 -0.831 43.8 168.7-101.8 122.7 -11.9 40.5 -13.9 67 906 A Q + 0 0 151 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.860 28.3 121.5-134.1 94.5 -13.6 37.4 -12.3 68 907 A H > - 0 0 57 -2,-0.4 3,-1.3 3,-0.4 56,-0.0 -0.981 67.0-118.1-153.4 153.8 -11.1 34.7 -11.2 69 908 A D T 3 S+ 0 0 96 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.715 116.0 50.2 -66.2 -24.9 -10.0 33.0 -8.0 70 909 A N T 3 S+ 0 0 12 82,-0.1 83,-3.1 50,-0.1 2,-0.4 0.005 97.7 80.7-107.2 26.7 -6.5 34.4 -8.3 71 910 A I B < S-f 153 0B 1 -3,-1.3 -3,-0.4 81,-0.3 83,-0.2 -0.999 88.9-107.5-133.7 127.0 -7.6 38.1 -8.9 72 911 A V - 0 0 2 81,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.233 44.9-107.8 -50.8 133.8 -8.6 40.4 -6.0 73 912 A K - 0 0 112 -4,-0.1 18,-2.0 -6,-0.1 2,-0.3 -0.565 20.7-134.3 -75.5 131.0 -12.4 40.9 -6.0 74 913 A Y E + E 0 90A 40 -8,-0.4 16,-0.2 -2,-0.4 3,-0.1 -0.618 26.0 175.5 -73.7 131.0 -13.9 44.3 -7.1 75 914 A K E - 0 0 56 14,-3.1 2,-0.3 1,-0.4 15,-0.2 0.725 47.8 -77.6-111.6 -32.7 -16.6 45.4 -4.7 76 915 A G E - E 0 89A 0 13,-1.9 13,-3.4 2,-0.0 -1,-0.4 -0.979 41.6 -76.6 160.3-172.7 -17.5 48.8 -5.9 77 916 A V E -aE 4 88A 7 -74,-2.7 -72,-2.0 -2,-0.3 2,-0.4 -0.808 21.7-148.1-120.2 159.2 -16.8 52.5 -6.2 78 917 A C E - E 0 87A 0 9,-1.9 9,-2.1 -2,-0.3 2,-0.3 -0.991 16.6-177.1-133.7 116.9 -17.0 55.5 -3.9 79 918 A Y - 0 0 85 -74,-0.4 -72,-0.4 -2,-0.4 3,-0.1 -0.835 12.4-177.1-107.9 153.1 -17.8 59.0 -5.3 80 919 A S - 0 0 66 -2,-0.3 2,-0.1 -74,-0.1 -1,-0.1 0.686 65.3 -7.4-118.6 -37.8 -18.0 62.2 -3.3 81 920 A A S S- 0 0 67 1,-0.0 4,-0.1 0, 0.0 5,-0.0 -0.343 83.3 -76.5-136.0-150.2 -19.1 64.9 -5.8 82 921 A G S S+ 0 0 49 -2,-0.1 -1,-0.0 2,-0.1 0, 0.0 0.816 135.0 18.7 -90.6 -44.9 -19.7 65.7 -9.5 83 922 A R S S+ 0 0 225 1,-0.1 0, 0.0 -4,-0.0 0, 0.0 0.597 108.4 166.7 -95.5 -21.2 -16.0 65.9 -10.6 84 923 A R - 0 0 111 1,-0.1 -2,-0.1 -5,-0.0 -5,-0.1 0.218 49.1-104.6 43.1-156.3 -15.3 64.0 -7.3 85 924 A N - 0 0 83 -7,-0.2 -40,-0.4 -4,-0.1 -1,-0.1 0.423 50.8-141.9-136.1 -29.4 -12.0 62.3 -6.1 86 925 A L - 0 0 7 1,-0.1 -41,-0.7 -42,-0.1 2,-0.4 0.816 13.3-152.8 62.7 128.7 -13.0 58.5 -6.6 87 926 A K E -DE 44 78A 23 -9,-2.1 -9,-1.9 -43,-0.1 2,-0.5 -0.993 9.4-141.0-130.0 133.3 -12.2 55.4 -4.5 88 927 A L E -DE 43 77A 0 -45,-2.5 -45,-2.7 -2,-0.4 2,-0.5 -0.862 17.4-151.8 -96.9 122.1 -11.9 51.8 -5.7 89 928 A I E +DE 42 76A 0 -13,-3.4 -14,-3.1 -2,-0.5 -13,-1.9 -0.875 22.2 169.3-101.2 123.3 -13.4 49.3 -3.1 90 929 A M E -DE 41 74A 9 -49,-3.3 -49,-2.9 -2,-0.5 -16,-0.2 -0.795 40.3 -85.3-124.8 166.1 -12.0 45.8 -3.1 91 930 A E E -D 40 0A 25 -18,-2.0 2,-0.6 -2,-0.3 -51,-0.2 -0.424 45.0-115.3 -70.1 150.2 -12.2 42.8 -0.8 92 931 A Y - 0 0 70 -53,-0.6 -53,-0.1 -2,-0.1 -1,-0.1 -0.804 22.8-158.6 -90.7 120.9 -9.8 42.7 2.2 93 932 A L > - 0 0 10 -2,-0.6 3,-1.0 1,-0.1 52,-0.2 -0.909 8.6-152.9-101.3 114.6 -7.3 39.8 2.0 94 933 A P T 3 S+ 0 0 70 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.643 81.1 61.1 -68.7 -20.9 -6.1 39.2 5.6 95 934 A Y T 3 S- 0 0 103 50,-1.8 51,-0.1 1,-0.3 6,-0.1 0.245 96.2-137.1 -92.1 14.1 -2.6 37.8 5.2 96 935 A G < - 0 0 29 -3,-1.0 49,-2.6 49,-0.2 -1,-0.3 -0.085 49.5 -15.6 65.1-164.6 -1.2 40.9 3.4 97 936 A S B > -G 144 0B 14 47,-0.2 4,-2.6 1,-0.1 47,-0.3 -0.296 62.3-118.9 -65.5 156.4 1.1 41.0 0.4 98 937 A L H > S+ 0 0 0 45,-3.3 4,-2.4 42,-0.9 5,-0.2 0.872 115.7 57.8 -66.2 -31.9 3.0 37.8 -0.7 99 938 A R H > S+ 0 0 65 41,-1.4 4,-2.0 44,-0.4 -1,-0.2 0.929 112.8 36.9 -58.2 -54.4 6.2 39.7 -0.1 100 939 A D H > S+ 0 0 69 2,-0.2 4,-1.4 40,-0.2 -2,-0.2 0.887 116.9 52.2 -69.7 -41.6 5.3 40.5 3.6 101 940 A Y H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 3,-0.2 0.909 113.5 42.9 -59.5 -49.2 3.7 37.1 4.3 102 941 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.919 109.6 57.3 -64.0 -45.9 6.7 35.2 3.0 103 942 A Q H < S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.786 116.2 37.3 -53.7 -33.7 9.2 37.5 4.8 104 943 A K H < S+ 0 0 142 -4,-1.4 3,-0.2 -3,-0.2 -1,-0.2 0.766 123.3 37.5 -92.5 -33.1 7.5 36.7 8.2 105 944 A H H >X + 0 0 51 -4,-2.0 3,-2.0 1,-0.2 4,-1.2 0.047 69.9 130.2-112.1 27.0 6.5 33.0 7.8 106 945 A K T 3< S+ 0 0 52 -4,-0.6 462,-0.2 1,-0.3 3,-0.2 0.792 73.8 56.2 -48.6 -34.2 9.7 31.7 5.9 107 946 A E T 34 S+ 0 0 117 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.751 110.6 44.0 -68.5 -28.8 10.0 28.8 8.4 108 947 A R T <4 S+ 0 0 151 -3,-2.0 2,-0.9 -6,-0.1 -1,-0.2 0.628 94.1 89.1 -92.0 -21.9 6.4 27.6 7.7 109 948 A I < - 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0 0 33 -2,-0.3 16,-0.0 -26,-0.0 -5,-0.0 -0.947 38.3 -80.2-141.4 165.0 30.2 30.1 9.5 545 1088 B L - 0 0 2 -2,-0.3 15,-0.0 1,-0.1 2,-0.0 -0.367 60.3-109.4 -60.6 137.1 33.0 27.7 8.9 546 1089 B P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.303 35.2 -86.5 -72.4 163.5 35.6 29.4 6.5 547 1090 B R - 0 0 112 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.488 55.5-115.6 -64.2 120.8 36.3 28.4 2.8 548 1091 B P > - 0 0 6 0, 0.0 3,-2.2 0, 0.0 2,-0.1 -0.321 39.8 -85.7 -59.1 150.3 38.9 25.6 3.1 549 1092 B D T 3 S+ 0 0 118 1,-0.3 0, 0.0 -43,-0.1 0, 0.0 -0.396 116.0 10.1 -59.1 122.4 42.4 26.4 1.6 550 1093 B G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 -2,-0.1 -44,-0.0 0.387 91.4 144.6 89.3 0.2 42.3 25.5 -2.1 551 1094 B C < - 0 0 5 -3,-2.2 -1,-0.3 1,-0.1 5,-0.0 -0.562 53.2-117.8 -74.9 129.0 38.5 25.0 -2.2 552 1095 B P >> - 0 0 37 0, 0.0 4,-1.8 0, 0.0 3,-1.5 -0.385 21.0-125.0 -63.7 138.8 36.7 26.0 -5.5 553 1096 B D H 3> S+ 0 0 105 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.864 110.3 59.6 -50.4 -42.4 34.1 28.8 -4.8 554 1097 B E H 3> S+ 0 0 88 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.718 107.4 47.0 -60.7 -24.8 31.3 26.7 -6.4 555 1098 B I H <> S+ 0 0 1 -3,-1.5 4,-1.7 2,-0.2 3,-0.4 0.877 111.8 48.5 -83.1 -43.4 32.0 23.9 -3.8 556 1099 B Y H X S+ 0 0 53 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.788 106.2 61.3 -64.2 -29.5 32.0 26.5 -0.9 557 1100 B M H X S+ 0 0 109 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.854 103.0 48.0 -65.1 -39.5 28.7 27.8 -2.4 558 1101 B I H X S+ 0 0 2 -4,-0.7 4,-2.1 -3,-0.4 -2,-0.2 0.903 110.8 52.4 -66.9 -43.4 27.1 24.3 -1.9 559 1102 B M H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 3,-0.3 0.967 110.4 47.1 -55.0 -54.4 28.4 24.3 1.8 560 1103 B T H < S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.783 109.3 54.3 -59.0 -31.1 26.8 27.8 2.4 561 1104 B E H >< S+ 0 0 6 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.899 109.4 47.5 -67.2 -46.7 23.5 26.7 0.8 562 1105 B C H 3< S+ 0 0 0 -4,-2.1 2,-0.3 -3,-0.3 -2,-0.2 0.858 106.0 61.1 -64.0 -36.0 23.4 23.7 3.2 563 1106 B W T 3< S+ 0 0 4 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 -0.037 74.3 140.8 -84.7 36.7 24.2 26.1 6.1 564 1107 B N < - 0 0 17 -3,-0.9 6,-0.1 -2,-0.3 5,-0.1 -0.668 50.5-146.9 -83.0 126.6 21.1 28.2 5.6 565 1108 B N S S+ 0 0 50 -2,-0.5 2,-1.0 -26,-0.1 -1,-0.2 0.864 88.5 80.2 -57.2 -32.4 19.4 29.3 8.9 566 1109 B N S > S- 0 0 15 1,-0.2 3,-1.8 3,-0.1 -2,-0.1 -0.645 75.3-155.9 -81.5 106.4 16.1 29.0 6.9 567 1110 B V G > S+ 0 0 41 -2,-1.0 3,-1.0 1,-0.3 -1,-0.2 0.804 92.1 53.1 -48.2 -40.1 15.4 25.3 7.0 568 1111 B N G 3 S+ 0 0 31 1,-0.2 -1,-0.3 -462,-0.2 -461,-0.1 0.641 101.0 61.5 -75.1 -18.7 13.2 25.5 3.8 569 1112 B Q G < S+ 0 0 3 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.219 80.2 105.5 -90.7 8.0 16.0 27.3 1.9 570 1113 B R S < S- 0 0 11 -3,-1.0 -8,-0.2 -316,-0.1 -9,-0.0 -0.706 77.4-112.8 -87.2 141.5 18.4 24.3 2.3 571 1114 B P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.156 29.3-113.6 -67.1 170.9 18.8 22.2 -0.9 572 1115 B S > - 0 0 46 -318,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.601 23.2-112.0 -97.4 166.9 17.5 18.6 -1.1 573 1116 B F H > S+ 0 0 11 -2,-0.2 4,-2.3 2,-0.2 -151,-0.2 0.888 119.7 54.8 -65.5 -35.4 19.7 15.5 -1.4 574 1117 B R H > S+ 0 0 147 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 110.0 46.6 -59.2 -51.6 18.4 15.0 -5.0 575 1118 B D H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.878 111.6 50.5 -58.3 -47.5 19.5 18.6 -5.9 576 1119 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.883 109.5 51.1 -62.9 -37.0 22.9 18.2 -4.3 577 1120 B A H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.969 114.1 43.1 -62.3 -52.9 23.6 14.9 -6.2 578 1121 B L H X S+ 0 0 71 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.881 116.5 48.7 -54.7 -48.8 22.7 16.5 -9.6 579 1122 B R H X S+ 0 0 15 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.867 113.0 45.4 -63.0 -45.1 24.7 19.7 -8.8 580 1123 B V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.881 113.3 51.6 -67.1 -42.2 27.8 17.7 -7.6 581 1124 B D H X S+ 0 0 38 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.859 108.6 50.6 -64.0 -36.2 27.5 15.5 -10.7 582 1125 B Q H X S+ 0 0 78 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.855 110.8 49.1 -68.4 -37.6 27.3 18.6 -13.0 583 1126 B I H X S+ 0 0 12 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.955 112.4 47.9 -66.9 -44.6 30.5 20.1 -11.3 584 1127 B R H X S+ 0 0 57 -4,-2.7 4,-2.1 2,-0.2 6,-0.2 0.933 112.8 48.8 -55.8 -55.3 32.2 16.7 -11.8 585 1128 B D H X>S+ 0 0 64 -4,-2.9 5,-1.5 1,-0.2 4,-0.6 0.895 112.3 48.0 -53.3 -46.3 31.0 16.7 -15.5 586 1129 B N H ><5S+ 0 0 126 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.911 112.3 50.1 -59.0 -47.8 32.3 20.3 -16.0 587 1130 B M H 3<5S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.810 116.8 39.6 -60.5 -37.9 35.6 19.4 -14.4 588 1131 B A H 3<5S- 0 0 66 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.372 106.3-124.4 -91.2 -4.5 36.1 16.3 -16.6 589 1132 B G T <<5 0 0 73 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.629 360.0 360.0 64.0 14.9 34.7 18.1 -19.8 590 1133 B H < 0 0 169 -5,-1.5 -4,-0.2 -6,-0.2 -5,-0.1 0.910 360.0 360.0 -80.4 360.0 32.3 15.1 -19.8