==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 08-OCT-12 4HGE . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,M.ULTSCH . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 34 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 33.0 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 0 2 1 1 2 2 0 2 0 0 3 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 6 0 0 1 3 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 0 201 0, 0.0 2,-0.4 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 -18.2 78.6 3.3 0.5 2 844 A F - 0 0 30 72,-1.4 2,-0.5 5,-0.0 74,-0.5 -0.956 360.0-143.0-114.2 130.3 76.4 2.5 3.5 3 845 A E > - 0 0 87 -2,-0.4 3,-1.8 72,-0.1 4,-0.3 -0.827 11.2-136.3 -97.7 129.3 76.9 -0.7 5.5 4 846 A E G > S+ 0 0 78 -2,-0.5 3,-1.9 72,-0.4 -1,-0.1 0.826 99.7 62.5 -43.0 -45.7 73.9 -2.5 6.8 5 847 A R G 3 S+ 0 0 178 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.631 102.5 49.4 -67.6 -16.8 75.5 -3.2 10.2 6 848 A H G < S+ 0 0 17 -3,-1.8 21,-2.7 2,-0.0 2,-0.7 0.379 87.2 98.6-101.8 1.0 75.8 0.5 11.1 7 849 A L E < -A 26 0A 23 -3,-1.9 2,-0.5 -4,-0.3 19,-0.2 -0.824 58.8-163.5 -93.6 113.3 72.2 1.3 10.2 8 850 A K E -A 25 0A 71 17,-2.7 17,-2.4 -2,-0.7 2,-0.1 -0.877 17.3-126.9-102.9 122.5 70.1 1.4 13.4 9 851 A F E +A 24 0A 118 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.420 33.9 165.9 -67.9 136.6 66.3 1.3 13.0 10 852 A L E - 0 0 81 13,-2.7 2,-0.3 1,-0.4 14,-0.2 0.721 58.1 -32.9-115.2 -47.9 64.4 4.1 14.8 11 853 A Q E -A 23 0A 101 12,-1.7 12,-3.5 0, 0.0 -1,-0.4 -0.960 53.3 -99.7-169.5 157.6 60.9 4.0 13.5 12 854 A Q E -A 22 0A 70 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.659 31.2-177.0 -75.1 136.2 58.6 3.3 10.5 13 855 A L E - 0 0 74 8,-2.6 2,-0.3 1,-0.4 9,-0.2 0.820 53.8 -41.5-102.5 -54.9 57.6 6.6 8.8 14 856 A G E -A 21 0A 32 7,-1.3 7,-2.6 2,-0.0 -1,-0.4 -0.994 40.3-123.6-166.6 170.0 55.2 5.4 6.1 15 857 A K E +A 20 0A 153 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.886 26.8 172.2-118.4 152.3 54.2 2.9 3.4 16 858 A G E > -A 19 0A 24 3,-2.3 3,-2.7 -2,-0.3 2,-0.5 -0.851 57.8 -37.6-167.3 125.6 53.5 3.8 -0.3 17 859 A N T 3 S- 0 0 50 -2,-0.3 153,-0.1 1,-0.3 135,-0.0 -0.456 125.4 -28.0 57.6-109.2 52.8 1.7 -3.4 18 860 A F T 3 S+ 0 0 84 -2,-0.5 25,-2.2 31,-0.1 26,-0.5 0.179 122.8 89.7-118.3 15.5 55.2 -1.3 -2.9 19 861 A G E < -AB 16 42A 5 -3,-2.7 -3,-2.3 23,-0.2 2,-0.3 -0.687 54.4-158.7-112.9 163.4 57.8 0.6 -0.8 20 862 A S E -AB 15 41A 4 21,-2.4 21,-3.0 -2,-0.2 2,-0.4 -0.995 7.5-152.6-141.7 139.8 58.4 1.4 2.9 21 863 A V E -AB 14 40A 34 -7,-2.6 -8,-2.6 -2,-0.3 -7,-1.3 -0.959 12.9-172.9-120.6 136.0 60.4 4.2 4.5 22 864 A E E -AB 12 39A 25 17,-2.6 17,-2.5 -2,-0.4 2,-0.6 -0.888 26.0-125.4-124.3 151.3 62.1 4.1 7.9 23 865 A M E +AB 11 38A 31 -12,-3.5 -13,-2.7 -2,-0.3 -12,-1.7 -0.891 43.2 167.0 -89.9 123.2 63.9 6.5 10.1 24 866 A C E -AB 9 37A 3 13,-2.3 13,-2.7 -2,-0.6 2,-0.5 -0.939 34.9-127.9-130.6 159.4 67.3 5.1 10.9 25 867 A R E -AB 8 36A 60 -17,-2.4 -17,-2.7 -2,-0.3 2,-0.8 -0.939 16.2-147.9-103.7 124.9 70.5 6.4 12.4 26 868 A Y E +AB 7 35A 27 9,-2.9 9,-0.6 -2,-0.5 -19,-0.2 -0.851 29.7 164.5 -94.3 111.6 73.7 5.7 10.4 27 869 A D > + 0 0 0 -21,-2.7 3,-1.7 -2,-0.8 5,-0.2 -0.578 12.6 163.2-134.2 65.0 76.4 5.3 13.1 28 870 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.654 82.2 51.9 -66.0 -15.2 79.6 3.7 11.7 29 871 A L T 3 S- 0 0 129 -23,-0.1 -2,-0.0 0, 0.0 -23,-0.0 0.530 98.8-140.2 -93.8 -8.9 81.6 4.8 14.7 30 872 A Q S < S+ 0 0 102 -3,-1.7 -3,-0.0 1,-0.1 -4,-0.0 0.737 73.5 110.7 57.8 27.1 79.0 3.3 17.1 31 873 A D S S- 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.046 94.1-107.1-113.5 20.2 79.4 6.3 19.4 32 874 A N S S+ 0 0 98 -5,-0.2 -5,-0.1 1,-0.1 -6,-0.0 0.908 91.8 111.8 50.4 48.9 75.9 7.7 18.7 33 875 A T + 0 0 85 2,-0.1 -1,-0.1 -8,-0.0 -6,-0.1 0.264 45.0 113.4-121.9 2.4 77.2 10.6 16.6 34 876 A G - 0 0 12 1,-0.1 2,-0.2 -9,-0.1 -7,-0.2 -0.302 70.0-101.8 -75.4 163.8 75.9 9.5 13.3 35 877 A E E -B 26 0A 97 -9,-0.6 -9,-2.9 -10,-0.1 2,-0.4 -0.544 26.7-114.9 -85.4 146.4 73.3 11.3 11.3 36 878 A V E +B 25 0A 43 -11,-0.3 50,-0.6 -2,-0.2 2,-0.3 -0.678 42.6 176.1 -74.1 132.6 69.6 10.3 11.1 37 879 A V E -BC 24 85A 0 -13,-2.7 -13,-2.3 -2,-0.4 2,-0.4 -0.860 30.8-113.7-133.1 165.1 68.7 9.3 7.5 38 880 A A E -BC 23 84A 9 46,-2.6 46,-3.2 -2,-0.3 2,-0.4 -0.881 28.3-161.7-103.1 137.9 65.6 8.0 5.7 39 881 A V E -BC 22 83A 1 -17,-2.5 -17,-2.6 -2,-0.4 2,-0.4 -0.982 2.6-161.3-126.1 125.3 65.8 4.5 4.3 40 882 A K E +BC 21 82A 9 42,-2.9 42,-2.7 -2,-0.4 2,-0.3 -0.895 17.5 167.5-108.6 133.7 63.4 3.2 1.6 41 883 A K E -B 20 0A 80 -21,-3.0 -21,-2.4 -2,-0.4 2,-0.4 -0.897 40.6 -94.8-133.9 164.5 63.0 -0.6 1.0 42 884 A L E -B 19 0A 33 38,-0.5 3,-0.3 -2,-0.3 -23,-0.2 -0.683 23.0-143.6 -78.8 134.2 60.6 -2.9 -0.8 43 885 A Q S S+ 0 0 66 -25,-2.2 2,-0.4 -2,-0.4 -1,-0.1 0.869 95.8 11.8 -59.2 -42.3 57.8 -4.3 1.4 44 886 A H S S- 0 0 141 -26,-0.5 2,-0.4 -3,-0.1 -1,-0.3 -0.958 85.2-135.8-139.1 117.8 58.2 -7.5 -0.5 45 887 A S + 0 0 75 -2,-0.4 2,-0.3 -3,-0.3 3,-0.0 -0.620 32.8 159.6 -78.1 130.3 61.1 -8.1 -2.8 46 888 A T > - 0 0 62 -2,-0.4 4,-1.3 1,-0.1 5,-0.1 -0.823 52.0-110.1-128.3 173.8 60.4 -9.7 -6.3 47 889 A E H > S+ 0 0 110 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.894 119.3 50.7 -71.1 -39.9 62.6 -9.6 -9.4 48 890 A E H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.938 112.8 44.2 -59.0 -50.5 60.1 -7.3 -11.1 49 891 A H H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.787 109.8 56.6 -71.5 -29.7 60.0 -4.8 -8.2 50 892 A L H X S+ 0 0 38 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.919 106.2 48.6 -66.8 -46.8 63.7 -4.8 -7.7 51 893 A R H X S+ 0 0 129 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.889 113.7 47.9 -60.7 -40.6 64.4 -3.7 -11.4 52 894 A D H X S+ 0 0 58 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.947 111.4 50.8 -62.5 -46.9 61.8 -0.9 -10.9 53 895 A F H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 107.2 53.4 -58.1 -43.2 63.5 0.0 -7.6 54 896 A E H X S+ 0 0 98 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.894 111.3 46.4 -58.1 -41.9 66.9 0.1 -9.3 55 897 A R H X S+ 0 0 102 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.914 109.8 53.6 -68.9 -42.0 65.5 2.5 -11.9 56 898 A E H X S+ 0 0 17 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.921 109.1 49.6 -51.7 -46.7 63.8 4.6 -9.2 57 899 A I H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 110.9 48.6 -63.8 -42.1 67.2 4.9 -7.5 58 900 A E H X S+ 0 0 118 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.861 109.9 53.4 -66.9 -37.6 68.9 6.0 -10.7 59 901 A I H < S+ 0 0 11 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.962 112.6 42.5 -59.1 -50.7 66.2 8.5 -11.3 60 902 A L H >< S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 11,-0.3 0.894 110.6 55.9 -68.2 -39.5 66.6 10.1 -7.9 61 903 A K H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.877 105.4 54.4 -57.0 -37.9 70.4 10.0 -8.1 62 904 A S T 3< S+ 0 0 30 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.536 94.8 85.3 -73.0 -8.1 70.1 12.0 -11.3 63 905 A L < + 0 0 8 -3,-1.6 2,-0.4 -4,-0.4 8,-0.3 -0.860 46.2 172.2-107.4 128.4 68.0 14.8 -9.7 64 906 A Q + 0 0 152 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.893 26.2 127.5-135.1 101.8 69.6 17.8 -7.9 65 907 A H > - 0 0 55 -2,-0.4 3,-1.9 3,-0.4 53,-0.0 -0.994 64.5-117.5-155.3 145.4 67.1 20.5 -6.8 66 908 A D T 3 S+ 0 0 100 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.777 117.0 47.0 -53.1 -28.0 66.2 22.5 -3.7 67 909 A N T 3 S+ 0 0 13 79,-0.1 80,-2.6 47,-0.1 2,-0.4 -0.059 97.8 82.5-113.0 31.4 62.6 21.0 -4.0 68 910 A I B < S-e 147 0B 2 -3,-1.9 -3,-0.4 78,-0.3 80,-0.2 -0.998 88.2-107.8-132.6 130.4 63.7 17.4 -4.5 69 911 A V - 0 0 2 78,-2.6 2,-0.4 -2,-0.4 -6,-0.1 -0.248 44.1-109.3 -56.6 139.5 64.6 15.1 -1.6 70 912 A K - 0 0 117 -4,-0.1 15,-2.1 -6,-0.1 2,-0.3 -0.599 18.7-135.6 -80.6 131.8 68.4 14.4 -1.6 71 913 A Y E +D 84 0A 62 -2,-0.4 13,-0.2 -8,-0.3 3,-0.1 -0.609 25.4 172.1 -71.3 134.0 69.9 11.1 -2.5 72 914 A K E - 0 0 74 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.678 50.8 -82.3-111.8 -38.1 72.7 10.0 -0.2 73 915 A G E -D 83 0A 1 10,-1.9 10,-2.8 2,-0.0 -1,-0.4 -0.991 40.6 -76.1 168.2-161.6 73.4 6.5 -1.3 74 916 A V E -D 82 0A 19 -2,-0.3 -72,-1.4 8,-0.2 2,-0.4 -0.912 20.7-149.8-130.8 158.6 72.4 2.7 -1.3 75 917 A C E -D 81 0A 0 6,-2.2 6,-1.8 -2,-0.3 2,-0.5 -0.990 10.7-156.3-133.5 124.2 72.8 -0.2 1.1 76 918 A Y 0 0 161 -74,-0.5 -72,-0.4 -2,-0.4 4,-0.2 -0.897 360.0 360.0-103.6 123.1 73.2 -3.8 -0.1 77 919 A S 0 0 100 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.491 360.0 360.0 27.9 360.0 72.2 -6.7 2.2 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 0 121 0, 0.0 -2,-0.2 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 115.4 68.1 -6.6 -0.4 80 925 A L - 0 0 19 -4,-0.2 -38,-0.5 -3,-0.1 2,-0.4 -0.228 360.0-172.0 -63.7 133.3 68.6 -3.1 -1.8 81 926 A K E - D 0 75A 12 -6,-1.8 -6,-2.2 -40,-0.1 2,-0.5 -0.993 16.4-140.0-125.9 138.4 67.8 -0.0 0.4 82 927 A L E -CD 40 74A 0 -42,-2.7 -42,-2.9 -2,-0.4 2,-0.5 -0.874 15.0-153.5 -99.3 124.3 67.7 3.6 -0.8 83 928 A I E +CD 39 73A 0 -10,-2.8 -11,-2.6 -2,-0.5 -10,-1.9 -0.873 22.5 166.4-102.8 124.3 69.3 6.1 1.7 84 929 A M E -CD 38 71A 12 -46,-3.2 -46,-2.6 -2,-0.5 -13,-0.2 -0.831 43.1 -81.3-128.3 165.4 68.0 9.7 1.5 85 930 A E E -C 37 0A 25 -15,-2.1 2,-0.6 -2,-0.3 -48,-0.2 -0.398 45.9-120.1 -61.4 144.9 68.2 12.7 3.7 86 931 A Y - 0 0 68 -50,-0.6 -50,-0.1 -2,-0.1 -1,-0.1 -0.832 19.6-156.4 -90.0 119.6 65.7 12.8 6.6 87 932 A L > - 0 0 8 -2,-0.6 3,-1.6 1,-0.1 52,-0.2 -0.873 10.0-148.6 -97.7 118.5 63.4 15.8 6.5 88 933 A P T 3 S+ 0 0 76 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.678 86.7 59.3 -75.6 -16.7 62.2 16.3 10.1 89 934 A Y T 3 S- 0 0 117 50,-1.4 6,-0.2 1,-0.2 51,-0.1 0.444 94.3-147.8 -89.7 2.4 58.7 17.7 9.5 90 935 A G < - 0 0 30 -3,-1.6 49,-2.6 49,-0.4 -1,-0.2 -0.250 47.6 -4.1 71.1-156.1 57.5 14.5 7.7 91 936 A S B > -F 138 0B 22 47,-0.2 4,-2.6 1,-0.1 3,-0.3 -0.466 59.5-128.0 -80.1 147.2 55.0 14.4 4.9 92 937 A L H > S+ 0 0 0 45,-3.5 4,-2.8 42,-0.6 5,-0.3 0.868 108.4 61.4 -58.3 -36.7 53.1 17.5 3.8 93 938 A R H > S+ 0 0 79 41,-1.2 4,-1.5 44,-0.4 -1,-0.2 0.928 112.1 36.4 -54.6 -48.8 49.8 15.6 4.2 94 939 A D H > S+ 0 0 74 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.921 116.8 52.2 -72.7 -45.9 50.4 15.0 7.9 95 940 A Y H X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.930 110.1 47.8 -56.0 -48.6 52.1 18.4 8.6 96 941 A L H < S+ 0 0 0 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.937 112.2 50.0 -62.2 -44.5 49.2 20.4 7.0 97 942 A Q H >< S+ 0 0 83 -4,-1.5 3,-0.6 -5,-0.3 -1,-0.2 0.910 114.6 43.4 -58.7 -46.6 46.6 18.4 9.0 98 943 A K H 3< S+ 0 0 153 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.760 123.8 34.4 -72.9 -29.0 48.4 18.9 12.4 99 944 A H T >X S+ 0 0 65 -4,-2.0 3,-2.7 -5,-0.2 4,-0.7 0.144 74.2 127.9-115.1 18.9 49.2 22.6 11.9 100 945 A K G X4 S+ 0 0 108 -3,-0.6 3,-1.3 -4,-0.5 -1,-0.1 0.849 72.7 55.2 -46.7 -43.5 46.2 23.8 9.9 101 946 A E G 34 S+ 0 0 160 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.604 112.5 44.2 -66.8 -11.6 45.5 26.7 12.3 102 947 A R G <4 S+ 0 0 129 -3,-2.7 2,-0.6 1,-0.1 -1,-0.3 0.419 97.1 80.8-113.7 -7.0 49.0 28.0 11.8 103 948 A I << - 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0 0 16 -4,-2.2 3,-1.3 -5,-0.2 -3,-0.1 0.103 16.2-117.7 114.1 128.6 87.5 19.3 -26.4 514 1067 B N T 3 S+ 0 0 114 1,-0.2 -4,-0.1 -4,-0.2 -1,-0.1 0.592 107.1 72.5 -75.1 -9.5 84.6 17.4 -24.9 515 1068 B D T 3 S+ 0 0 112 -6,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.728 76.1 101.4 -68.7 -24.2 85.9 18.2 -21.3 516 1069 B K < - 0 0 58 -3,-1.3 2,-0.3 -7,-0.2 -3,-0.1 -0.418 53.3-179.4 -73.6 137.5 84.8 21.8 -21.7 517 1070 B Q > - 0 0 151 -2,-0.2 3,-1.5 4,-0.0 4,-0.3 -0.871 33.8 -10.7-136.0 162.0 81.5 22.9 -20.0 518 1071 B G T >> S- 0 0 61 -2,-0.3 3,-1.2 1,-0.3 4,-0.5 -0.129 122.3 -5.8 56.7-138.0 79.2 25.8 -19.3 519 1072 B Q H 3> S+ 0 0 165 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.692 123.9 73.2 -66.3 -18.8 80.2 29.3 -20.3 520 1073 B M H <> S+ 0 0 105 -3,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.815 85.6 64.4 -65.6 -32.4 83.8 28.1 -21.2 521 1074 B I H <> S+ 0 0 32 -3,-1.2 4,-2.2 -4,-0.3 -1,-0.2 0.907 101.9 49.8 -56.4 -45.9 82.5 26.4 -24.4 522 1075 B V H X S+ 0 0 41 -4,-0.5 4,-2.9 -3,-0.3 -1,-0.2 0.920 111.3 48.7 -59.8 -45.5 81.5 29.8 -25.8 523 1076 B F H X S+ 0 0 117 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.890 112.8 46.3 -67.3 -39.4 84.9 31.3 -25.0 524 1077 B H H X S+ 0 0 67 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.851 112.2 52.5 -68.3 -32.5 86.8 28.4 -26.6 525 1078 B L H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.940 106.5 52.4 -67.5 -46.4 84.4 28.6 -29.6 526 1079 B I H X S+ 0 0 27 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.937 112.2 46.4 -51.1 -48.6 85.2 32.4 -30.0 527 1080 B E H X S+ 0 0 89 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.905 110.5 52.7 -65.6 -40.1 88.9 31.6 -30.0 528 1081 B L H <>S+ 0 0 37 -4,-2.4 5,-2.9 2,-0.2 -1,-0.2 0.917 111.6 44.3 -60.9 -47.2 88.5 28.7 -32.4 529 1082 B L H ><5S+ 0 0 3 -4,-2.7 3,-1.6 3,-0.2 -1,-0.2 0.892 110.6 55.8 -67.9 -37.6 86.6 30.9 -35.0 530 1083 B K H 3<5S+ 0 0 137 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.899 106.2 50.5 -58.4 -42.2 89.1 33.7 -34.5 531 1084 B N T 3<5S- 0 0 126 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.124 126.2-104.6 -84.5 19.6 92.0 31.4 -35.4 532 1085 B N T < 5 + 0 0 110 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.700 64.0 160.1 61.2 28.4 90.0 30.3 -38.5 533 1086 B G < + 0 0 17 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.632 16.8 173.1 -70.5 134.4 88.9 26.9 -37.2 534 1087 B R - 0 0 39 -2,-0.3 16,-0.0 -26,-0.0 -5,-0.0 -0.940 39.2 -80.8-140.2 162.8 85.9 25.8 -39.3 535 1088 B L - 0 0 2 -2,-0.3 2,-0.1 1,-0.1 -27,-0.0 -0.340 57.4-110.4 -58.1 143.4 83.6 22.9 -39.8 536 1089 B P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.338 36.1 -85.8 -78.0 162.6 85.2 20.3 -42.1 537 1090 B R - 0 0 113 1,-0.1 3,-0.1 -2,-0.1 6,-0.1 -0.560 54.9-117.5 -65.1 120.9 84.1 19.5 -45.6 538 1091 B P > - 0 0 7 0, 0.0 3,-1.9 0, 0.0 2,-0.2 -0.225 40.7 -80.1 -57.5 153.3 81.4 16.9 -45.2 539 1092 B D T 3 S+ 0 0 117 1,-0.3 0, 0.0 -43,-0.1 0, 0.0 -0.373 116.7 7.1 -52.8 120.8 81.9 13.4 -46.6 540 1093 B G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 -2,-0.2 -44,-0.1 0.352 90.2 145.6 89.8 -4.5 81.2 13.4 -50.4 541 1094 B C < - 0 0 0 -3,-1.9 -1,-0.3 1,-0.1 -4,-0.0 -0.495 51.6-120.6 -73.1 125.6 80.8 17.2 -50.6 542 1095 B P >> - 0 0 38 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.361 20.5-122.4 -61.2 146.0 82.0 18.7 -53.9 543 1096 B D H 3> S+ 0 0 103 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.826 109.8 58.0 -60.4 -38.2 84.7 21.3 -53.4 544 1097 B E H 3> S+ 0 0 86 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.808 109.5 46.3 -65.6 -28.6 82.8 24.1 -55.1 545 1098 B I H X> S+ 0 0 0 -3,-0.8 4,-1.6 2,-0.2 3,-0.5 0.912 110.3 51.2 -80.2 -40.9 80.0 23.6 -52.6 546 1099 B Y H 3X S+ 0 0 46 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.875 105.4 58.9 -58.7 -36.2 82.4 23.5 -49.6 547 1100 B M H 3X S+ 0 0 118 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.834 100.6 55.3 -63.7 -31.7 83.8 26.8 -51.0 548 1101 B I H < S+ 0 0 81 -4,-1.8 3,-0.7 -5,-0.2 -1,-0.2 0.892 107.3 50.7 -66.1 -38.5 83.0 31.9 -48.0 552 1105 B C H 3< S+ 0 0 0 -4,-1.8 2,-0.5 1,-0.2 -1,-0.2 0.816 102.8 63.8 -63.7 -31.8 79.9 32.4 -45.8 553 1106 B W T 3< S+ 0 0 6 -4,-1.6 2,-0.4 -5,-0.1 -1,-0.2 -0.183 71.6 142.7 -92.0 42.8 82.0 31.8 -42.7 554 1107 B N < - 0 0 46 -3,-0.7 6,-0.1 -2,-0.5 -3,-0.1 -0.658 51.3-141.0 -82.4 135.9 84.2 34.8 -43.2 555 1108 B N S S+ 0 0 54 -2,-0.4 2,-0.7 -26,-0.1 -1,-0.1 0.841 90.3 75.0 -61.1 -35.8 85.3 36.6 -40.0 556 1109 B N S > S- 0 0 62 1,-0.2 3,-2.0 3,-0.1 4,-0.2 -0.742 75.3-152.6 -81.5 113.5 84.9 39.9 -41.8 557 1110 B V G > S+ 0 0 49 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.836 93.1 61.7 -51.1 -37.1 81.1 40.6 -42.1 558 1111 B N G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.627 98.9 55.0 -70.6 -17.1 81.8 42.7 -45.2 559 1112 B Q G < S+ 0 0 118 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.232 80.6 106.5-100.8 13.9 83.2 39.7 -47.1 560 1113 B R S < S- 0 0 18 -3,-1.4 -8,-0.2 -4,-0.2 -75,-0.1 -0.764 77.3-113.8 -85.9 135.7 80.2 37.4 -46.6 561 1114 B P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.197 27.2-110.7 -61.7 161.6 78.2 37.1 -49.8 562 1115 B S > - 0 0 47 1,-0.1 4,-2.3 -78,-0.0 5,-0.1 -0.460 25.4-113.8 -81.6 162.8 74.7 38.4 -50.2 563 1116 B F H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.827 120.3 58.0 -69.7 -28.9 71.7 36.0 -50.5 564 1117 B R H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 108.7 44.7 -58.2 -51.9 71.2 37.4 -54.0 565 1118 B D H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 112.2 52.4 -59.6 -45.0 74.8 36.2 -54.8 566 1119 B L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.944 109.7 47.9 -60.4 -45.9 74.3 32.9 -53.1 567 1120 B A H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.932 112.7 48.4 -62.7 -46.3 71.1 32.1 -55.0 568 1121 B L H X S+ 0 0 102 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.915 114.2 46.3 -58.6 -44.1 72.7 33.0 -58.4 569 1122 B R H X S+ 0 0 67 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.863 113.1 48.6 -71.1 -35.8 75.8 30.9 -57.6 570 1123 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.936 112.7 48.2 -67.6 -45.4 73.8 27.9 -56.5 571 1124 B D H X S+ 0 0 39 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.886 110.6 52.7 -60.1 -39.1 71.6 28.2 -59.6 572 1125 B Q H X S+ 0 0 108 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.950 110.8 46.1 -61.6 -47.5 74.8 28.4 -61.7 573 1126 B I H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.929 110.7 53.0 -62.8 -42.9 76.2 25.3 -60.1 574 1127 B R H X S+ 0 0 61 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.914 110.1 48.6 -56.5 -44.6 72.8 23.5 -60.6 575 1128 B D H X S+ 0 0 114 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.884 111.0 49.9 -63.4 -42.1 72.8 24.4 -64.3 576 1129 B N H >< S+ 0 0 98 -4,-2.4 3,-0.6 2,-0.2 -1,-0.2 0.887 110.7 50.3 -59.6 -42.8 76.4 23.1 -64.6 577 1130 B M H 3< S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 115.0 42.0 -66.8 -38.7 75.5 19.8 -62.9 578 1131 B A H 3< 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.440 360.0 360.0 -84.0 -5.6 72.4 19.2 -65.2 579 1132 B G << 0 0 121 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.789 360.0 360.0 -85.2 360.0 74.3 20.3 -68.3