==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-AUG-11 3TJC . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG . 575 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 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 . 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 . 35 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 1 1 1 2 3 1 0 0 0 2 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 2 4 0 5 1 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 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 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 1 843 A Q 0 0 170 0, 0.0 2,-0.5 0, 0.0 74,-0.2 0.000 360.0 360.0 360.0-174.0 134.5 59.6 5.8 2 844 A F - 0 0 28 72,-1.9 74,-0.5 5,-0.0 2,-0.3 -0.878 360.0-132.7-104.2 127.0 132.5 59.0 8.9 3 845 A E > - 0 0 96 -2,-0.5 3,-1.1 1,-0.1 4,-0.3 -0.596 6.7-138.2 -81.7 135.2 133.3 55.9 11.0 4 846 A E G > S+ 0 0 90 72,-0.5 3,-1.6 -2,-0.3 -1,-0.1 0.893 100.0 55.4 -52.7 -49.7 130.4 53.7 12.3 5 847 A R G 3 S+ 0 0 175 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.614 105.0 52.5 -64.6 -16.4 131.9 53.2 15.8 6 848 A H G < S+ 0 0 10 -3,-1.1 21,-2.6 20,-0.0 2,-0.7 0.369 85.6 97.6-101.8 3.5 132.2 56.9 16.5 7 849 A L E < -A 26 0A 24 -3,-1.6 2,-0.5 -4,-0.3 19,-0.2 -0.837 59.6-161.9 -96.0 110.5 128.6 57.8 15.6 8 850 A K E -A 25 0A 84 17,-2.9 17,-2.5 -2,-0.7 2,-0.2 -0.829 14.8-128.9-100.8 124.9 126.5 57.9 18.8 9 851 A F E +A 24 0A 115 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.442 34.0 162.7 -69.4 134.2 122.7 57.7 18.6 10 852 A L E - 0 0 84 13,-2.5 2,-0.3 1,-0.3 14,-0.2 0.693 58.4 -32.0-118.4 -45.6 120.7 60.4 20.4 11 853 A Q E -A 23 0A 100 12,-1.7 12,-3.6 0, 0.0 2,-0.4 -0.978 57.5 -90.8-173.9 161.6 117.2 60.3 19.0 12 854 A Q E -A 22 0A 83 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.682 30.7-178.0 -86.1 129.3 114.9 59.6 16.0 13 855 A L E - 0 0 71 8,-2.6 2,-0.3 -2,-0.4 9,-0.2 0.830 55.2 -35.3 -97.4 -37.4 114.1 62.7 13.8 14 856 A G E -A 21 0A 30 7,-1.5 7,-1.6 2,-0.0 2,-0.4 -0.990 40.7-132.0-174.7 171.8 111.7 61.5 11.2 15 857 A K E +A 20 0A 121 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.953 32.8 160.6-143.4 116.6 110.5 58.7 8.9 16 858 A G E > -A 19 0A 43 3,-1.6 3,-3.7 -2,-0.4 2,-1.6 -0.996 56.7 -29.6-141.3 156.1 109.8 59.2 5.3 17 859 A N T 3 S- 0 0 70 -2,-0.3 153,-0.1 1,-0.3 25,-0.0 -0.247 128.5 -29.3 46.9 -84.2 109.4 57.3 2.0 18 860 A F T 3 S+ 0 0 92 -2,-1.6 25,-2.3 31,-0.1 26,-0.7 0.005 121.1 76.3-151.0 32.3 111.8 54.6 3.0 19 861 A G E < -AB 16 42A 5 -3,-3.7 -3,-1.6 23,-0.3 2,-0.3 -0.865 55.4-146.0-138.8 177.9 114.2 56.2 5.3 20 862 A S E -AB 15 41A 0 21,-2.3 21,-2.5 -2,-0.3 2,-0.4 -0.965 10.1-149.8-145.6 146.6 114.8 57.4 8.7 21 863 A V E -AB 14 40A 28 -7,-1.6 -8,-2.6 -2,-0.3 -7,-1.5 -0.984 17.8-168.9-121.8 132.7 116.8 60.3 9.9 22 864 A E E -AB 12 39A 31 17,-2.6 17,-2.9 -2,-0.4 2,-0.6 -0.904 24.4-122.4-123.0 153.3 118.4 60.2 13.3 23 865 A M E +AB 11 38A 30 -12,-3.6 -13,-2.5 -2,-0.3 -12,-1.7 -0.851 44.0 170.4 -93.5 125.1 120.1 62.7 15.5 24 866 A C E -AB 9 37A 5 13,-2.6 13,-3.2 -2,-0.6 2,-0.6 -0.938 34.5-132.5-136.0 157.5 123.7 61.5 16.3 25 867 A R E -AB 8 36A 72 -17,-2.5 -17,-2.9 -2,-0.3 2,-1.1 -0.958 16.4-149.7-111.8 117.5 126.8 62.8 17.9 26 868 A Y E +A 7 0A 31 9,-2.3 9,-0.4 -2,-0.6 -19,-0.2 -0.774 26.1 170.3 -88.6 99.4 129.9 62.0 15.8 27 869 A D > + 0 0 1 -21,-2.6 3,-1.7 -2,-1.1 5,-0.1 -0.639 10.7 165.8-114.5 73.1 132.5 61.7 18.6 28 870 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.691 83.9 44.7 -61.2 -20.9 135.8 60.4 17.0 29 871 A L T 3 S- 0 0 127 -23,-0.1 -2,-0.1 0, 0.0 -23,-0.0 0.370 101.4-137.0-103.1 4.4 137.9 61.3 20.1 30 872 A Q S < S+ 0 0 102 -3,-1.7 -3,-0.1 1,-0.2 -4,-0.0 0.836 74.7 115.5 42.8 39.6 135.1 59.9 22.3 31 873 A D S S- 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 -0.157 88.6-110.9-126.7 34.9 135.7 63.0 24.4 32 874 A N S S+ 0 0 93 1,-0.2 -5,-0.1 -5,-0.1 -6,-0.0 0.853 91.9 109.4 26.9 68.9 132.3 64.6 23.9 33 875 A T + 0 0 88 -7,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.042 51.3 112.4-145.0 10.1 133.8 67.4 21.9 34 876 A G - 0 0 12 1,-0.1 -7,-0.2 -7,-0.0 2,-0.1 -0.582 68.7-106.5 -93.1 155.4 132.2 66.1 18.7 35 877 A E - 0 0 101 -9,-0.4 -9,-2.3 -2,-0.2 2,-0.3 -0.443 25.9-117.3 -81.8 150.8 129.4 67.8 16.6 36 878 A V E +B 25 0A 39 -11,-0.2 50,-0.6 -2,-0.1 2,-0.3 -0.663 40.9 176.7 -82.9 137.7 125.8 66.7 16.4 37 879 A V E -BC 24 85A 0 -13,-3.2 -13,-2.6 -2,-0.3 2,-0.5 -0.860 31.4-112.2-137.8 170.4 124.7 65.6 13.0 38 880 A A E -BC 23 84A 8 46,-2.4 46,-3.0 -2,-0.3 2,-0.5 -0.926 29.0-161.6-108.3 131.6 121.7 64.2 11.2 39 881 A V E -BC 22 83A 1 -17,-2.9 -17,-2.6 -2,-0.5 2,-0.4 -0.957 2.5-164.8-119.9 122.4 122.0 60.7 9.8 40 882 A K E +BC 21 82A 14 42,-2.9 42,-2.9 -2,-0.5 2,-0.3 -0.876 16.0 161.1-108.6 135.2 119.7 59.3 7.1 41 883 A K E -B 20 0A 71 -21,-2.5 -21,-2.3 -2,-0.4 2,-0.2 -0.976 44.7 -91.9-146.0 158.3 119.4 55.6 6.3 42 884 A L E -B 19 0A 29 38,-0.5 3,-0.4 -2,-0.3 -23,-0.3 -0.530 25.7-144.8 -71.8 131.6 117.0 53.3 4.5 43 885 A Q S S+ 0 0 70 -25,-2.3 2,-0.3 1,-0.3 -24,-0.2 0.812 95.8 19.4 -68.3 -25.6 114.5 51.8 6.9 44 886 A H S S- 0 0 153 -26,-0.7 2,-0.5 2,-0.1 -1,-0.3 -0.866 88.4-136.4-144.8 104.5 114.5 48.6 4.9 45 887 A S + 0 0 83 -3,-0.4 2,-0.3 -2,-0.3 3,-0.0 -0.473 31.6 166.7 -68.7 115.0 117.5 48.2 2.6 46 888 A T > - 0 0 63 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.918 44.9-121.5-124.3 151.3 116.6 46.9 -0.8 47 889 A E H > S+ 0 0 123 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.818 116.2 51.0 -63.4 -30.4 119.0 46.9 -3.8 48 890 A E H > S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 114.5 42.6 -71.7 -44.8 116.5 49.0 -5.7 49 891 A H H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.800 111.0 56.3 -70.3 -29.0 116.2 51.5 -2.8 50 892 A L H X S+ 0 0 32 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.864 106.6 49.6 -70.5 -36.6 120.0 51.4 -2.3 51 893 A R H X S+ 0 0 109 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.888 112.9 47.2 -68.0 -39.8 120.5 52.4 -5.9 52 894 A D H X S+ 0 0 52 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.923 111.5 51.1 -65.8 -44.5 118.1 55.3 -5.4 53 895 A F H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.888 106.7 53.7 -61.4 -40.3 119.8 56.3 -2.2 54 896 A E H X S+ 0 0 88 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.890 111.0 46.9 -61.6 -38.3 123.2 56.3 -3.9 55 897 A R H X S+ 0 0 104 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.903 109.5 53.9 -68.3 -43.1 121.7 58.7 -6.5 56 898 A E H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.903 107.6 50.7 -57.4 -44.9 120.2 60.8 -3.8 57 899 A I H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.874 110.5 48.6 -63.8 -38.5 123.5 61.2 -2.1 58 900 A E H X S+ 0 0 113 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.888 110.1 52.9 -69.8 -36.3 125.1 62.2 -5.3 59 901 A I H >< S+ 0 0 13 -4,-2.6 3,-0.6 1,-0.2 4,-0.3 0.966 110.6 47.3 -60.2 -52.6 122.3 64.8 -5.9 60 902 A L H >< S+ 0 0 3 -4,-2.6 3,-1.2 1,-0.3 11,-0.3 0.870 111.3 47.3 -62.9 -40.5 122.8 66.3 -2.5 61 903 A K H 3< S+ 0 0 97 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.737 103.8 61.5 -78.5 -11.4 126.5 66.7 -2.5 62 904 A S T << S+ 0 0 35 -4,-1.1 2,-0.5 -3,-0.6 -1,-0.3 0.517 96.0 83.1 -82.9 -3.7 126.4 68.2 -6.0 63 905 A L < + 0 0 6 -3,-1.2 2,-0.4 -4,-0.3 8,-0.3 -0.879 48.9 167.4-106.2 126.8 124.3 71.0 -4.3 64 906 A Q + 0 0 157 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.897 25.7 129.2-137.7 102.6 125.8 73.9 -2.4 65 907 A H > - 0 0 56 -2,-0.4 3,-1.7 3,-0.3 53,-0.0 -0.990 64.5-115.6-155.1 148.9 123.4 76.7 -1.6 66 908 A D T 3 S+ 0 0 99 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.777 116.0 47.0 -57.5 -27.6 122.4 78.7 1.4 67 909 A N T 3 S+ 0 0 12 79,-0.1 80,-3.2 47,-0.1 2,-0.4 -0.017 97.7 80.1-108.8 29.8 118.9 77.2 1.2 68 910 A I B < S-e 147 0B 2 -3,-1.7 -3,-0.3 78,-0.3 80,-0.2 -0.998 89.5-101.8-134.3 134.5 119.7 73.6 0.8 69 911 A V - 0 0 2 78,-2.6 2,-0.3 -2,-0.4 -6,-0.1 -0.301 44.5-109.4 -58.1 135.9 120.8 71.3 3.6 70 912 A K - 0 0 120 -4,-0.1 15,-1.9 -6,-0.1 2,-0.3 -0.512 19.7-135.3 -76.3 131.7 124.5 70.7 3.8 71 913 A Y E +D 84 0A 63 -8,-0.3 13,-0.2 -11,-0.3 3,-0.1 -0.645 24.8 174.4 -81.0 134.1 126.0 67.4 2.9 72 914 A K E - 0 0 74 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.702 49.7 -77.2-111.7 -33.1 128.7 66.3 5.4 73 915 A G E -D 83 0A 6 10,-1.7 10,-3.0 -72,-0.0 -1,-0.4 -0.979 40.9 -85.3 161.6-169.6 129.6 62.8 4.2 74 916 A V E -D 82 0A 11 -2,-0.3 -72,-1.9 8,-0.2 2,-0.5 -0.903 23.1-140.9-130.4 159.4 128.7 59.1 4.1 75 917 A C E -D 81 0A 0 6,-2.1 6,-1.7 -2,-0.3 2,-0.3 -0.988 16.9-168.5-127.0 124.2 129.1 56.2 6.5 76 918 A Y 0 0 123 -74,-0.5 -72,-0.5 -2,-0.5 4,-0.1 -0.833 360.0 360.0-112.0 150.1 130.0 52.6 5.3 77 919 A S 0 0 109 -2,-0.3 3,-0.0 -74,-0.1 -74,-0.0 -0.592 360.0 360.0 -73.5 360.0 129.9 49.3 7.2 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 79 924 A N 0 0 111 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 88.5 124.4 49.7 5.3 80 925 A L - 0 0 14 -4,-0.1 -38,-0.5 -6,-0.1 2,-0.4 -0.334 360.0-169.0 -65.3 134.3 124.9 53.1 3.6 81 926 A K E - D 0 75A 16 -6,-1.7 -6,-2.1 -40,-0.1 2,-0.6 -0.988 14.4-143.9-130.1 135.1 124.3 56.2 5.7 82 927 A L E -CD 40 74A 0 -42,-2.9 -42,-2.9 -2,-0.4 2,-0.6 -0.871 14.4-153.7 -98.6 120.5 124.0 59.8 4.6 83 928 A I E +CD 39 73A 0 -10,-3.0 -11,-2.8 -2,-0.6 -10,-1.7 -0.856 21.7 169.4 -99.2 119.3 125.5 62.4 7.0 84 929 A M E -CD 38 71A 10 -46,-3.0 -46,-2.4 -2,-0.6 -13,-0.2 -0.742 40.9 -83.7-121.4 168.9 124.0 65.9 6.9 85 930 A E E -C 37 0A 21 -15,-1.9 2,-0.6 -2,-0.2 -48,-0.2 -0.404 44.6-117.8 -70.1 150.2 124.2 69.0 9.0 86 931 A Y - 0 0 71 -50,-0.6 -50,-0.1 -2,-0.1 -1,-0.1 -0.824 20.0-156.0 -93.5 119.2 121.9 69.1 12.0 87 932 A L > - 0 0 10 -2,-0.6 3,-1.6 1,-0.1 52,-0.2 -0.861 8.0-153.0 -96.5 108.9 119.4 72.0 11.8 88 933 A P T 3 S+ 0 0 74 0, 0.0 52,-0.1 0, 0.0 -1,-0.1 0.691 87.3 54.5 -54.5 -28.7 118.4 72.7 15.4 89 934 A Y T 3 S- 0 0 119 50,-1.3 51,-0.1 1,-0.2 6,-0.1 0.491 96.6-150.7 -89.2 -0.8 115.0 74.1 14.8 90 935 A G < - 0 0 26 -3,-1.6 49,-3.2 49,-0.3 -1,-0.2 -0.184 45.5 -3.7 69.8-160.8 113.8 71.1 12.8 91 936 A S B > -F 138 0B 14 47,-0.2 4,-2.6 1,-0.1 47,-0.3 -0.334 60.6-127.0 -69.7 148.5 111.2 71.1 10.0 92 937 A L H > S+ 0 0 0 45,-3.2 4,-3.0 42,-0.7 5,-0.3 0.838 108.6 59.2 -61.6 -34.9 109.4 74.2 9.1 93 938 A R H > S+ 0 0 70 41,-1.3 4,-1.7 44,-0.4 -1,-0.2 0.937 112.2 37.0 -62.7 -47.6 106.1 72.4 9.5 94 939 A D H > S+ 0 0 68 40,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.899 118.1 51.9 -71.0 -40.1 106.7 71.5 13.2 95 940 A Y H X S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.940 111.7 45.3 -60.8 -50.2 108.4 74.9 13.9 96 941 A L H X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.892 111.1 52.6 -61.6 -43.6 105.5 76.9 12.4 97 942 A Q H < S+ 0 0 61 -4,-1.7 3,-0.4 -5,-0.3 -1,-0.2 0.889 116.9 39.3 -61.4 -37.6 102.8 74.9 14.2 98 943 A K H < S+ 0 0 143 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.761 123.6 39.2 -84.5 -24.8 104.6 75.4 17.6 99 944 A H H >X + 0 0 47 -4,-2.1 4,-1.8 -5,-0.2 3,-1.7 0.066 67.7 127.6-114.9 20.4 105.6 79.0 17.0 100 945 A K T 3< S+ 0 0 88 -4,-0.6 457,-0.2 -3,-0.4 -1,-0.1 0.753 74.9 57.0 -51.7 -26.3 102.7 80.7 15.2 101 946 A E T 34 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.821 110.9 43.6 -75.5 -28.6 102.6 83.5 17.7 102 947 A R T <4 S+ 0 0 132 -3,-1.7 2,-0.6 -6,-0.1 -2,-0.2 0.758 104.0 74.5 -86.0 -24.4 106.2 84.3 17.0 103 948 A I < - 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0 0 39 -3,-1.3 -3,-0.2 -4,-0.7 3,-0.1 0.787 59.6 -71.3 57.3 29.9 70.9 96.0 13.5 497 1051 B I T 3 S+ 0 0 170 -2,-0.5 3,-1.1 1,-0.3 6,-0.2 0.812 103.7 47.8 -42.1 -48.3 68.8 94.0 22.0 500 1054 B S G 3 S+ 0 0 71 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.636 109.5 57.6 -73.5 -9.8 68.7 90.2 22.6 501 1055 B K G < S+ 0 0 49 -3,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 0.335 76.8 122.9-102.5 5.1 71.4 89.8 19.9 502 1056 B S S <> S- 0 0 34 -3,-1.1 4,-2.9 -4,-0.3 5,-0.3 -0.201 75.1-107.6 -64.6 157.6 74.1 92.1 21.3 503 1057 B P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.914 118.9 47.3 -53.8 -47.9 77.7 90.7 22.1 504 1058 B P H > S+ 0 0 41 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.956 115.1 46.2 -60.1 -48.6 77.2 90.8 25.9 505 1059 B A H > S+ 0 0 38 -6,-0.2 4,-1.0 1,-0.2 5,-0.1 0.888 115.5 45.4 -61.4 -41.9 73.8 89.1 25.6 506 1060 B E H X S+ 0 0 11 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.869 115.3 45.9 -72.6 -36.7 75.0 86.4 23.2 507 1061 B F H X S+ 0 0 9 -4,-2.5 4,-1.3 -5,-0.3 5,-0.2 0.911 112.1 50.7 -72.2 -41.6 78.2 85.6 25.1 508 1062 B M H X S+ 0 0 31 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.781 108.4 56.2 -65.9 -24.5 76.4 85.5 28.5 509 1063 B R H < S+ 0 0 139 -4,-1.0 4,-0.2 -5,-0.2 -2,-0.2 0.958 110.2 39.9 -74.3 -48.4 73.9 83.1 26.9 510 1064 B M H < S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.640 120.9 46.1 -76.4 -11.7 76.4 80.5 25.7 511 1065 B I H < S- 0 0 24 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.850 122.6-105.0 -90.0 -45.6 78.3 80.9 28.9 512 1066 B G >< - 0 0 16 -4,-2.5 3,-1.4 -5,-0.2 -3,-0.2 0.127 7.6-128.7 122.5 122.0 75.2 80.7 31.0 513 1067 B N T 3 S+ 0 0 116 1,-0.3 -4,-0.1 -4,-0.2 -1,-0.1 0.666 103.2 76.7 -70.3 -13.3 73.4 83.5 32.9 514 1068 B D T 3 S+ 0 0 158 -3,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.439 76.8 105.9 -76.5 3.1 73.6 81.3 36.0 515 1069 B K S < S- 0 0 89 -3,-1.4 -3,-0.1 -7,-0.2 5,-0.0 -0.221 72.4-112.1 -78.8 170.9 77.3 82.3 36.3 516 1070 B Q - 0 0 146 1,-0.0 -1,-0.1 -2,-0.0 0, 0.0 0.309 28.4-105.1 -80.2-146.6 78.7 84.7 38.9 517 1071 B G S > S+ 0 0 50 2,-0.1 3,-0.7 3,-0.1 4,-0.4 0.782 109.0 37.4-115.1 -52.2 80.2 88.1 38.3 518 1072 B Q T 3 S+ 0 0 183 1,-0.2 4,-0.4 2,-0.1 3,-0.2 0.644 113.1 62.5 -77.3 -13.5 84.0 88.1 38.5 519 1073 B M T 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.599 79.4 86.4 -84.7 -15.4 84.0 84.7 36.9 520 1074 B I H <> S+ 0 0 32 -3,-0.7 4,-2.4 1,-0.2 3,-0.3 0.941 87.3 48.8 -51.9 -56.0 82.5 86.0 33.7 521 1075 B V H > S+ 0 0 41 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.903 111.0 50.4 -53.2 -46.6 85.8 86.9 32.1 522 1076 B F H > S+ 0 0 138 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.857 111.7 47.1 -63.3 -35.3 87.4 83.6 32.9 523 1077 B H H X S+ 0 0 62 -4,-2.1 4,-2.5 -3,-0.3 -1,-0.2 0.864 112.5 51.6 -72.2 -34.1 84.5 81.7 31.4 524 1078 B L H X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.916 107.5 52.1 -65.7 -44.6 84.7 84.0 28.4 525 1079 B I H X S+ 0 0 28 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.928 112.2 45.2 -58.8 -46.1 88.4 83.3 28.0 526 1080 B E H X S+ 0 0 93 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 111.8 52.8 -65.2 -42.2 87.8 79.5 28.0 527 1081 B L H <>S+ 0 0 32 -4,-2.5 5,-2.8 1,-0.2 -2,-0.2 0.927 112.5 43.9 -57.7 -46.9 84.9 79.9 25.6 528 1082 B L H ><5S+ 0 0 2 -4,-2.7 3,-1.3 3,-0.2 -1,-0.2 0.836 110.5 56.2 -68.0 -31.8 87.0 81.9 23.1 529 1083 B K H 3<5S+ 0 0 140 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.875 105.0 51.7 -67.3 -37.7 89.9 79.4 23.6 530 1084 B N T 3<5S- 0 0 120 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.047 125.8-104.7 -88.4 26.9 87.6 76.6 22.6 531 1085 B N T < 5 + 0 0 102 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.744 65.5 158.4 54.8 32.5 86.7 78.5 19.5 532 1086 B G < + 0 0 13 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.680 17.3 170.1 -81.2 138.3 83.3 79.5 20.8 533 1087 B R - 0 0 37 -2,-0.3 16,-0.0 -26,-0.0 -5,-0.0 -0.945 39.5 -76.7-147.4 166.6 82.1 82.6 18.8 534 1088 B L - 0 0 1 -2,-0.3 -27,-0.0 1,-0.1 2,-0.0 -0.360 57.4-112.6 -62.8 144.1 79.2 85.0 18.1 535 1089 B P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.244 35.6 -83.6 -76.7 166.9 76.7 83.4 15.7 536 1090 B R - 0 0 113 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.587 55.1-115.1 -70.6 123.1 75.8 84.5 12.2 537 1091 B P > - 0 0 4 0, 0.0 3,-2.3 0, 0.0 -42,-0.1 -0.213 43.4 -81.4 -57.7 149.8 73.3 87.4 12.6 538 1092 B D T 3 S+ 0 0 116 1,-0.3 0, 0.0 -43,-0.1 0, 0.0 -0.301 116.7 6.9 -55.6 130.9 69.8 86.7 11.2 539 1093 B G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -3,-0.1 -44,-0.0 0.477 92.3 146.9 75.9 2.0 69.8 87.2 7.4 540 1094 B C < - 0 0 3 -3,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.563 51.1-117.5 -77.9 132.1 73.6 87.8 7.2 541 1095 B P >> - 0 0 49 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.400 18.5-126.6 -66.0 139.6 75.4 86.6 4.1 542 1096 B D H 3> S+ 0 0 104 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.833 109.2 58.7 -55.9 -36.7 77.9 83.9 4.6 543 1097 B E H 3> S+ 0 0 95 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.842 109.1 44.8 -64.8 -31.4 80.6 85.9 2.8 544 1098 B I H X> S+ 0 0 3 -3,-0.9 4,-1.4 2,-0.2 3,-0.6 0.897 111.7 51.5 -77.9 -42.0 80.1 88.7 5.4 545 1099 B Y H 3X S+ 0 0 48 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.830 103.7 59.9 -63.4 -32.1 80.1 86.3 8.3 546 1100 B M H 3X S+ 0 0 93 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.827 101.0 54.0 -65.2 -31.7 83.3 84.8 7.1 547 1101 B I H < S+ 0 0 9 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.850 106.6 52.0 -71.2 -34.0 88.5 85.7 10.2 551 1105 B C H 3< S+ 0 0 0 -4,-1.6 2,-0.4 -3,-0.3 -1,-0.2 0.807 103.8 61.9 -70.2 -26.4 88.8 88.7 12.3 552 1106 B W T 3< S+ 0 0 5 -4,-1.4 2,-0.4 -5,-0.1 -1,-0.3 -0.214 73.2 141.5 -94.3 43.5 88.2 86.5 15.3 553 1107 B N < - 0 0 21 -3,-0.7 6,-0.1 -2,-0.4 5,-0.1 -0.711 51.7-143.0 -88.6 131.4 91.2 84.3 14.9 554 1108 B N S S+ 0 0 55 -2,-0.4 2,-0.9 1,-0.1 -1,-0.1 0.811 89.9 78.7 -60.8 -27.8 92.9 83.2 18.1 555 1109 B N S > S- 0 0 10 1,-0.2 3,-2.2 3,-0.0 4,-0.3 -0.739 74.3-155.7 -87.0 105.8 96.2 83.5 16.2 556 1110 B V G > S+ 0 0 46 -2,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.846 92.1 56.3 -46.8 -41.5 96.9 87.2 16.1 557 1111 B N G 3 S+ 0 0 38 1,-0.2 -1,-0.3 -457,-0.2 -452,-0.2 0.634 100.4 59.1 -71.3 -14.1 99.0 86.8 13.0 558 1112 B Q G < S+ 0 0 6 -3,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.366 79.2 104.9 -96.0 4.8 96.1 85.2 11.1 559 1113 B R S < S- 0 0 15 -3,-1.3 -8,-0.2 -4,-0.3 -75,-0.1 -0.698 78.1-112.8 -84.3 135.8 93.8 88.2 11.5 560 1114 B P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.162 28.2-110.9 -64.2 163.1 93.5 90.2 8.2 561 1115 B S > - 0 0 46 -313,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.509 22.9-115.8 -89.9 162.7 94.8 93.8 7.9 562 1116 B F H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.847 118.1 59.4 -67.6 -29.9 92.5 96.8 7.6 563 1117 B R H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.927 110.2 41.0 -61.0 -46.2 94.0 97.3 4.1 564 1118 B D H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.834 112.7 54.6 -71.8 -34.3 92.8 93.8 3.1 565 1119 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.912 107.1 51.2 -65.5 -41.8 89.5 94.2 4.9 566 1120 B A H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 111.9 46.6 -61.0 -44.2 88.8 97.4 3.0 567 1121 B L H X S+ 0 0 107 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.876 112.9 49.1 -67.0 -39.9 89.5 95.7 -0.3 568 1122 B R H X S+ 0 0 26 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.914 113.3 46.3 -67.3 -43.4 87.4 92.7 0.5 569 1123 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 3,-0.2 0.947 112.3 49.0 -65.1 -48.2 84.4 94.8 1.6 570 1124 B D H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.865 109.4 54.7 -60.5 -34.2 84.6 97.1 -1.4 571 1125 B Q H X S+ 0 0 93 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.882 109.1 45.9 -66.6 -39.3 84.8 94.1 -3.7 572 1126 B I H X S+ 0 0 9 -4,-1.6 4,-2.4 -3,-0.2 -1,-0.2 0.877 110.8 54.8 -70.1 -35.8 81.6 92.6 -2.2 573 1127 B R H X S+ 0 0 63 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.921 108.9 47.6 -61.5 -43.8 80.0 96.0 -2.5 574 1128 B D H < S+ 0 0 113 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.876 111.9 50.5 -64.9 -39.6 80.9 96.0 -6.2 575 1129 B N H >< S+ 0 0 110 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.863 109.8 50.1 -65.7 -39.0 79.5 92.5 -6.6 576 1130 B M H 3< S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 110.1 49.8 -71.6 -28.6 76.2 93.4 -4.9 577 1131 B A T 3< 0 0 74 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.530 360.0 360.0 -87.5 -5.0 75.7 96.4 -7.1 578 1132 B G < 0 0 124 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.816 360.0 360.0 -60.0 360.0 76.4 94.4 -10.2