==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-MAR-12 4E4M . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT . 1192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 822 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 15.1 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 79 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 385 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 4 0 4 2 2 4 4 0 4 0 2 4 3 3 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 PARALLEL BRIDGES PER LADDER . 4 8 0 11 1 0 1 7 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 . 7 1 4 0 4 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 1 835 A A 0 0 15 0, 0.0 1071,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.6 -21.5 -36.1 -18.1 2 836 A F E +a 1072 0A 110 1069,-0.2 2,-0.3 1091,-0.1 1071,-0.2 -0.999 360.0 178.2-151.9 139.6 -19.3 -33.8 -20.2 3 837 A E E -a 1073 0A 14 1069,-2.2 1071,-1.9 -2,-0.3 2,-0.9 -0.956 15.6-155.1-142.1 117.4 -19.2 -30.2 -21.6 4 838 A D E +a 1074 0A 85 -2,-0.3 1071,-0.1 1069,-0.2 1069,-0.1 -0.818 29.6 153.4-100.2 99.3 -16.2 -28.9 -23.6 5 839 A R + 0 0 39 1069,-2.2 -1,-0.1 -2,-0.9 1070,-0.1 0.170 68.2 56.4-104.6 13.8 -16.0 -25.1 -23.4 6 840 A D > + 0 0 14 1069,-0.2 3,-1.8 1068,-0.1 -1,-0.2 -0.594 49.7 173.2-149.5 83.3 -12.3 -25.0 -24.0 7 841 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 1068,-0.0 0.493 79.2 71.8 -67.7 -2.9 -11.0 -26.6 -27.3 8 842 A T T 3 S+ 0 0 38 73,-0.1 74,-3.3 2,-0.0 2,-0.7 0.462 79.9 86.4 -89.0 -4.6 -7.5 -25.2 -26.4 9 843 A Q B < -c 82 0B 24 -3,-1.8 2,-0.4 72,-0.2 74,-0.2 -0.883 69.2-158.8 -96.6 113.7 -7.1 -27.8 -23.6 10 844 A F - 0 0 18 72,-3.2 2,-0.6 -2,-0.7 74,-0.5 -0.801 18.2-120.9 -95.3 131.4 -5.7 -31.0 -25.0 11 845 A E >> - 0 0 27 -2,-0.4 3,-2.1 1,-0.1 4,-0.7 -0.611 12.3-145.2 -76.4 114.9 -6.3 -34.3 -23.0 12 846 A E G >4 S+ 0 0 77 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.822 97.2 57.6 -41.1 -46.6 -3.0 -36.0 -22.0 13 847 A R G 34 S+ 0 0 166 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.648 108.9 45.9 -69.7 -16.3 -4.5 -39.5 -22.5 14 848 A H G <4 S+ 0 0 18 -3,-2.1 21,-2.0 1,-0.1 2,-0.9 0.469 90.4 92.4-102.2 -4.9 -5.4 -38.8 -26.1 15 849 A L E << -D 34 0B 29 -3,-1.1 2,-0.5 -4,-0.7 19,-0.2 -0.798 60.2-172.8 -93.8 103.2 -2.0 -37.1 -27.0 16 850 A K E -D 33 0B 66 17,-2.7 17,-2.5 -2,-0.9 2,-0.1 -0.875 22.2-125.1-107.2 123.5 0.1 -39.9 -28.4 17 851 A F E +D 32 0B 33 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.368 34.2 165.1 -56.3 132.3 3.8 -39.5 -29.2 18 852 A L E - 0 0 11 13,-2.7 2,-0.3 1,-0.4 14,-0.2 0.695 58.9 -17.2-109.6 -57.2 4.7 -40.5 -32.8 19 853 A Q E -D 31 0B 50 12,-1.6 12,-2.9 380,-0.0 -1,-0.4 -0.958 60.0-105.2-152.2 155.8 8.2 -39.1 -33.6 20 854 A Q E -D 30 0B 51 -2,-0.3 10,-0.2 10,-0.3 3,-0.1 -0.741 30.4-179.5 -85.5 138.7 10.8 -36.5 -32.5 21 855 A L E - 0 0 64 8,-2.2 2,-0.2 -2,-0.3 9,-0.2 0.805 46.5 -61.4-107.5 -47.8 11.0 -33.4 -34.7 22 856 A G E -D 29 0B 25 7,-2.0 7,-2.9 2,-0.0 -1,-0.2 -0.877 46.0 -79.4 169.0 160.6 13.7 -31.1 -33.3 23 857 A K E +D 28 0B 144 -2,-0.2 5,-0.3 5,-0.2 2,-0.3 -0.443 40.4 178.0 -76.0 148.2 15.2 -28.9 -30.6 24 858 A G E > -D 27 0B 20 3,-1.4 3,-2.4 -2,-0.1 123,-0.0 -0.837 51.8 -38.0-136.3 178.2 14.0 -25.4 -30.0 25 859 A N T 3 S- 0 0 30 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 -0.176 125.6 -23.5 -48.5 124.9 14.8 -22.7 -27.5 26 860 A F T 3 S+ 0 0 78 1,-0.2 25,-1.5 24,-0.1 -1,-0.3 0.700 133.7 41.1 27.8 45.9 15.4 -24.5 -24.1 27 861 A G E < S-DE 24 50B 6 -3,-2.4 -3,-1.4 23,-0.3 2,-0.3 -0.865 77.6 -92.6-174.9-154.8 13.3 -27.5 -25.2 28 862 A S E -DE 23 49B 3 21,-2.4 21,-2.6 -5,-0.3 2,-0.4 -0.998 15.9-145.5-157.1 138.5 12.1 -30.0 -27.8 29 863 A V E -DE 22 48B 28 -7,-2.9 -8,-2.2 -2,-0.3 -7,-2.0 -0.923 21.1-177.2-114.9 134.1 9.4 -30.4 -30.4 30 864 A E E -DE 20 47B 9 17,-2.3 17,-2.7 -2,-0.4 2,-0.5 -0.940 29.3-114.1-133.0 153.4 7.8 -33.7 -31.2 31 865 A M E +DE 19 46B 0 -12,-2.9 -13,-2.7 -2,-0.3 -12,-1.6 -0.750 43.6 171.4 -86.9 126.7 5.2 -35.0 -33.6 32 866 A C E -DE 17 45B 4 13,-3.1 13,-3.1 -2,-0.5 2,-0.4 -0.925 29.1-132.3-133.4 159.6 2.1 -36.3 -31.9 33 867 A R E -DE 16 44B 16 -17,-2.5 -17,-2.7 -2,-0.3 2,-0.7 -0.953 10.4-153.5-110.1 132.2 -1.4 -37.5 -32.8 34 868 A Y E +DE 15 43B 32 9,-2.8 9,-1.0 -2,-0.4 -19,-0.2 -0.910 26.4 163.0-104.1 106.9 -4.4 -36.1 -31.0 35 869 A D > + 0 0 2 -21,-2.0 3,-1.3 -2,-0.7 5,-0.1 -0.702 11.2 165.2-129.0 77.6 -7.1 -38.8 -31.2 36 870 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.565 82.5 51.7 -72.4 -7.2 -9.9 -38.4 -28.7 37 871 A L T 3 S- 0 0 131 -23,-0.1 -2,-0.0 0, 0.0 -23,-0.0 0.384 96.1-140.5-103.5 -0.8 -12.1 -40.9 -30.6 38 872 A Q S < S+ 0 0 118 -3,-1.3 -3,-0.0 1,-0.2 -24,-0.0 0.560 75.4 110.7 53.8 10.9 -9.4 -43.6 -30.6 39 873 A D S S- 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.353 89.6-116.4 -96.8 3.4 -10.7 -44.3 -34.2 40 874 A N S S+ 0 0 89 -5,-0.1 303,-0.2 1,-0.1 -5,-0.1 0.862 87.9 110.9 58.7 40.8 -7.5 -43.0 -35.9 41 875 A T + 0 0 57 301,-0.1 -1,-0.1 2,-0.1 301,-0.1 0.128 52.1 110.6-117.3 13.5 -9.3 -40.1 -37.6 42 876 A G - 0 0 9 298,-0.1 299,-0.5 1,-0.1 2,-0.3 -0.055 68.9 -95.9 -80.7-176.8 -7.6 -37.4 -35.5 43 877 A E E -E 34 0B 42 -9,-1.0 -9,-2.8 297,-0.1 2,-0.4 -0.712 23.8-119.5-106.6 156.3 -5.0 -34.8 -36.4 44 878 A V E -E 33 0B 5 -2,-0.3 53,-0.6 -11,-0.2 2,-0.3 -0.783 37.0-178.2 -91.5 132.3 -1.2 -34.7 -36.2 45 879 A V E -EF 32 96B 0 -13,-3.1 -13,-3.1 -2,-0.4 2,-0.4 -0.876 28.8-120.5-128.8 160.6 0.2 -31.8 -34.1 46 880 A A E -EF 31 95B 7 49,-2.1 49,-3.3 -2,-0.3 2,-0.5 -0.895 29.8-163.5 -98.7 130.8 3.5 -30.5 -33.0 47 881 A V E -EF 30 94B 0 -17,-2.7 -17,-2.3 -2,-0.4 2,-0.4 -0.979 4.4-156.2-124.6 122.1 4.1 -30.5 -29.2 48 882 A K E +EF 29 93B 5 45,-2.4 45,-2.1 -2,-0.5 2,-0.3 -0.839 15.1 176.7 -96.3 134.2 6.8 -28.5 -27.5 49 883 A K E -E 28 0B 0 -21,-2.6 -21,-2.4 -2,-0.4 2,-0.1 -0.946 30.3-109.4-130.5 152.1 8.1 -29.6 -24.1 50 884 A L E -E 27 0B 4 41,-0.4 2,-0.4 -2,-0.3 -23,-0.3 -0.439 23.4-146.8 -75.0 151.9 10.8 -28.1 -21.9 51 885 A Q S S+ 0 0 47 -25,-1.5 839,-0.1 1,-0.2 843,-0.0 -0.939 81.5 5.8-114.5 144.0 14.1 -29.9 -21.4 52 886 A H S S- 0 0 126 -2,-0.4 -1,-0.2 1,-0.1 5,-0.1 0.934 96.8-159.6 49.7 56.5 15.9 -29.6 -18.1 53 887 A S + 0 0 16 -3,-0.2 2,-0.3 833,-0.1 -1,-0.1 -0.138 21.9 168.7 -71.8 161.8 13.0 -27.7 -16.7 54 888 A T > - 0 0 68 1,-0.1 4,-1.8 0, 0.0 5,-0.1 -0.911 50.6 -90.8-155.6 176.6 12.8 -25.3 -13.7 55 889 A E H > S+ 0 0 80 -2,-0.3 4,-1.6 2,-0.2 5,-0.1 0.898 125.8 46.2 -61.6 -43.0 10.5 -22.8 -12.0 56 890 A E H > S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 112.8 49.0 -67.6 -44.3 12.0 -19.9 -14.1 57 891 A H H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.837 108.6 53.6 -65.1 -36.5 11.9 -21.8 -17.4 58 892 A L H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.881 107.8 50.5 -66.6 -39.9 8.3 -22.8 -16.8 59 893 A R H X S+ 0 0 68 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.844 112.0 47.7 -64.0 -39.9 7.4 -19.1 -16.3 60 894 A D H X S+ 0 0 44 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.897 109.9 52.8 -66.0 -40.9 9.2 -18.3 -19.5 61 895 A F H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.929 106.7 53.0 -61.7 -46.0 7.4 -21.1 -21.2 62 896 A E H X S+ 0 0 28 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.848 109.2 48.7 -54.1 -40.1 4.1 -19.7 -20.0 63 897 A R H X S+ 0 0 103 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.873 110.2 51.4 -68.9 -40.6 5.0 -16.3 -21.5 64 898 A E H X S+ 0 0 13 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.930 108.9 51.6 -59.4 -47.8 5.9 -17.9 -24.8 65 899 A I H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.917 112.0 45.8 -54.6 -47.6 2.6 -19.7 -24.9 66 900 A E H X S+ 0 0 108 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.868 112.8 50.8 -67.3 -37.4 0.7 -16.5 -24.3 67 901 A I H X S+ 0 0 11 -4,-2.4 4,-0.6 2,-0.2 3,-0.4 0.977 112.9 45.4 -59.2 -53.7 2.8 -14.7 -26.9 68 902 A L H >< S+ 0 0 6 -4,-3.2 3,-1.1 1,-0.3 11,-0.4 0.886 111.7 52.5 -60.1 -39.2 2.1 -17.5 -29.5 69 903 A K H 3< S+ 0 0 93 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.836 104.0 57.4 -65.0 -37.1 -1.6 -17.5 -28.6 70 904 A S H 3< S+ 0 0 34 -4,-1.8 2,-0.5 -3,-0.4 -1,-0.3 0.598 93.7 87.3 -68.4 -14.4 -1.9 -13.8 -29.1 71 905 A L << + 0 0 7 -3,-1.1 8,-0.4 -4,-0.6 2,-0.3 -0.783 45.1 168.3 -98.9 127.9 -0.6 -14.1 -32.7 72 906 A Q + 0 0 163 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.869 27.3 124.1-137.5 104.4 -2.9 -14.9 -35.7 73 907 A H > - 0 0 56 3,-0.4 3,-1.6 -2,-0.3 56,-0.0 -0.982 65.1-117.8-159.1 147.3 -1.2 -14.5 -39.1 74 908 A D T 3 S+ 0 0 100 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.720 117.0 47.4 -60.7 -24.3 -0.6 -16.6 -42.3 75 909 A N T 3 S+ 0 0 13 82,-0.1 83,-3.1 50,-0.1 2,-0.4 0.046 99.0 79.2-111.6 23.2 3.1 -16.3 -41.7 76 910 A I B < S-h 158 0C 3 -3,-1.6 -3,-0.4 81,-0.3 83,-0.2 -1.000 89.7-105.5-129.4 132.1 3.1 -17.2 -38.0 77 911 A V - 0 0 7 81,-2.2 2,-0.4 -2,-0.4 -6,-0.1 -0.212 43.6-107.3 -55.4 136.8 2.9 -20.8 -36.7 78 912 A K - 0 0 122 -4,-0.1 18,-2.1 -6,-0.1 2,-0.3 -0.591 19.1-142.9 -78.5 124.8 -0.5 -21.6 -35.3 79 913 A Y E + G 0 95B 39 -2,-0.4 16,-0.2 -11,-0.4 3,-0.1 -0.661 23.0 173.7 -66.0 133.2 -1.1 -22.0 -31.6 80 914 A K E - 0 0 63 14,-2.7 2,-0.3 1,-0.4 15,-0.2 0.709 48.4 -73.2-112.3 -42.2 -3.6 -24.8 -31.0 81 915 A G E - G 0 94B 0 13,-1.8 13,-2.8 -72,-0.0 -1,-0.4 -0.976 42.2 -81.5 177.4-163.8 -3.7 -25.3 -27.3 82 916 A V E -cG 9 93B 9 -74,-3.3 -72,-3.2 -2,-0.3 2,-0.4 -0.901 21.6-148.7-124.6 156.5 -2.0 -26.5 -24.1 83 917 A C E - G 0 92B 1 9,-2.4 9,-1.6 -2,-0.3 2,-1.4 -0.983 6.4-153.1-124.8 120.0 -1.7 -30.0 -22.5 84 918 A Y > + 0 0 55 -74,-0.5 4,-1.2 -2,-0.4 7,-0.2 -0.686 34.5 178.0 -88.8 80.6 -1.5 -30.1 -18.8 85 919 A S H >> + 0 0 2 -2,-1.4 4,-1.7 2,-0.2 5,-1.2 -0.014 49.0 56.3 -77.7-177.7 0.3 -33.4 -18.7 86 920 A A H 45S- 0 0 12 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.898 140.8 -52.3 57.7 43.4 1.7 -35.4 -15.7 87 921 A G H 45S- 0 0 33 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.878 109.5 -50.4 57.7 41.6 -1.9 -35.4 -14.2 88 922 A R H <5S+ 0 0 35 -4,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.759 120.3 107.6 64.8 32.5 -1.9 -31.6 -14.7 89 923 A R T <5S+ 0 0 18 -4,-1.7 2,-0.3 -3,-0.2 -3,-0.2 0.056 75.9 48.5-120.0 22.1 1.4 -31.1 -12.9 90 924 A N S - 0 0 11 -2,-0.6 3,-1.9 1,-0.1 52,-0.2 -0.911 9.6-152.8-104.9 108.6 4.1 -28.2 -40.7 99 933 A P T 3 S+ 0 0 26 0, 0.0 52,-0.1 0, 0.0 -1,-0.1 0.732 87.9 54.9 -57.8 -32.1 5.3 -31.3 -42.7 100 934 A Y T 3 S- 0 0 59 50,-1.0 6,-0.2 51,-0.3 51,-0.1 0.447 92.3-159.7 -88.5 1.4 8.4 -29.7 -44.4 101 935 A G < + 0 0 27 -3,-1.9 49,-2.5 49,-0.3 -1,-0.2 -0.248 46.7 10.4 69.6-142.0 9.9 -28.6 -41.2 102 936 A S B > -I 149 0C 15 47,-0.2 4,-2.6 1,-0.1 47,-0.2 -0.445 63.5-129.3 -80.5 151.1 12.5 -25.8 -40.9 103 937 A L H > S+ 0 0 0 45,-2.4 4,-2.9 42,-1.1 43,-0.2 0.865 109.1 58.2 -66.7 -37.5 13.3 -23.6 -43.8 104 938 A R H > S+ 0 0 92 41,-1.3 4,-1.4 44,-0.3 -1,-0.2 0.929 111.1 40.7 -52.9 -52.8 17.0 -24.3 -43.3 105 939 A D H > S+ 0 0 57 40,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 115.3 51.8 -66.0 -42.4 16.5 -28.0 -43.7 106 940 A Y H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.856 106.7 52.8 -63.4 -40.2 14.0 -27.5 -46.6 107 941 A L H < S+ 0 0 0 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.860 114.3 43.8 -62.2 -37.5 16.4 -25.3 -48.5 108 942 A Q H >< S+ 0 0 82 -4,-1.4 3,-0.5 -5,-0.2 -2,-0.2 0.888 119.8 39.7 -72.9 -44.2 19.1 -28.0 -48.2 109 943 A K H 3< S+ 0 0 148 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.652 122.4 38.0 -85.9 -19.2 16.9 -31.0 -49.1 110 944 A H T >< + 0 0 42 -4,-1.9 3,-1.4 -5,-0.2 4,-0.3 -0.218 62.9 135.6-129.1 45.5 14.8 -29.4 -51.9 111 945 A K G X + 0 0 96 -3,-0.5 3,-1.3 1,-0.2 -1,-0.1 0.797 70.0 68.0 -58.0 -30.5 17.2 -27.2 -53.8 112 946 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.691 102.9 43.8 -63.4 -25.1 15.6 -28.6 -57.0 113 947 A R G < S+ 0 0 75 -3,-1.4 2,-0.4 -6,-0.1 -1,-0.3 0.369 101.0 91.5 -97.2 -0.3 12.3 -26.8 -56.2 114 948 A I < + 0 0 15 -3,-1.3 2,-0.3 -4,-0.3 39,-0.0 -0.841 41.3 152.4-110.9 132.9 14.0 -23.5 -55.2 115 949 A D > - 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0 0 13 -3,-0.7 15,-0.1 -4,-0.5 -45,-0.0 -0.458 68.0-124.9 -78.0 137.2 23.1 -65.3 -46.0 487 1022 B A >> - 0 0 0 -2,-0.2 4,-2.0 8,-0.1 3,-0.6 -0.376 32.7-107.8 -68.0 156.8 23.1 -69.1 -45.5 488 1023 B P H 3> S+ 0 0 11 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.854 119.1 51.2 -60.7 -37.0 26.1 -70.9 -47.0 489 1024 B E H 3> S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 6,-1.5 0.757 107.7 53.8 -73.6 -24.9 24.1 -72.5 -49.9 490 1025 B S H <> S+ 0 0 3 -3,-0.6 4,-0.9 4,-0.3 -1,-0.2 0.879 112.8 43.9 -71.9 -39.9 22.7 -69.0 -50.8 491 1026 B L H < S+ 0 0 28 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.1 0.925 125.5 32.6 -66.4 -46.3 26.3 -67.7 -51.0 492 1027 B T H < S+ 0 0 70 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.883 137.9 15.3 -81.5 -42.1 27.6 -70.7 -52.9 493 1028 B E H < S- 0 0 97 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.359 92.1-120.2-119.1 3.4 24.7 -71.8 -55.1 494 1029 B S < + 0 0 36 -4,-0.9 -19,-2.1 -5,-0.3 2,-0.5 0.761 61.2 154.3 57.3 29.7 22.3 -68.9 -54.9 495 1030 B K E -V 474 0I 41 -6,-1.5 2,-0.3 -21,-0.2 -1,-0.2 -0.788 22.5-173.7 -97.7 120.9 19.7 -71.3 -53.4 496 1031 B F E +V 473 0I 4 -23,-2.1 -23,-2.9 -2,-0.5 2,-0.3 -0.853 15.6 143.4-113.9 146.8 17.0 -69.8 -51.1 497 1032 B S > - 0 0 12 -2,-0.3 4,-2.3 -25,-0.2 -57,-0.2 -0.959 65.8 -80.5-163.3 174.1 14.4 -71.7 -49.1 498 1033 B V H > S+ 0 0 52 -27,-0.4 4,-2.3 -2,-0.3 5,-0.1 0.935 131.2 53.2 -50.2 -46.0 12.5 -71.7 -45.8 499 1034 B A H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.834 104.4 52.6 -64.1 -34.5 15.7 -73.2 -44.3 500 1035 B S H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 109.5 50.6 -66.9 -35.7 17.7 -70.3 -45.7 501 1036 B D H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.879 108.0 52.7 -64.5 -37.5 15.2 -68.0 -44.0 502 1037 B V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.946 108.1 50.8 -61.4 -47.3 15.7 -70.0 -40.8 503 1038 B W H X S+ 0 0 7 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.936 113.2 45.3 -50.8 -49.5 19.5 -69.5 -41.2 504 1039 B S H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.844 107.8 57.2 -67.7 -37.8 18.9 -65.7 -41.6 505 1040 B F H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.888 100.3 59.0 -53.3 -44.8 16.4 -65.8 -38.6 506 1041 B G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.898 106.3 47.6 -50.0 -44.8 19.4 -67.1 -36.6 507 1042 B V H X S+ 0 0 2 -4,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.895 109.2 53.6 -63.9 -41.2 21.2 -63.9 -37.5 508 1043 B V H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.929 108.1 50.0 -61.0 -45.1 18.1 -61.9 -36.5 509 1044 B L H X S+ 0 0 1 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.943 111.0 49.1 -55.2 -49.2 18.1 -63.6 -33.1 510 1045 B Y H X S+ 0 0 2 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.939 109.2 54.2 -51.9 -51.6 21.9 -62.8 -32.8 511 1046 B E H ><>S+ 0 0 7 -4,-3.1 5,-1.2 1,-0.2 3,-0.8 0.905 107.1 49.8 -48.5 -52.2 21.1 -59.2 -33.7 512 1047 B L H ><5S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.888 110.2 49.6 -57.3 -42.5 18.4 -58.9 -31.0 513 1048 B F H 3<5S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.569 105.5 56.6 -82.1 -7.2 20.7 -60.2 -28.3 514 1049 B T T X<5S- 0 0 10 -4,-1.1 3,-1.6 -3,-0.8 -1,-0.3 0.501 102.1-135.8 -88.2 -9.9 23.6 -57.8 -29.3 515 1050 B Y T < 5 - 0 0 45 -3,-1.0 -3,-0.2 -4,-0.4 -105,-0.1 0.706 59.3 -72.2 57.3 24.9 21.0 -55.0 -28.7 516 1051 B I T 3 S+ 0 0 195 1,-0.3 3,-1.3 -2,-0.3 6,-0.2 0.810 105.9 41.5 -45.3 -56.7 27.9 -51.0 -33.1 519 1054 B S G 3 S+ 0 0 69 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.470 108.8 62.3 -75.1 -5.4 30.9 -53.3 -33.0 520 1055 B K G < S+ 0 0 54 -3,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 0.307 72.7 122.4-104.2 4.2 28.8 -56.5 -32.5 521 1056 B S S <> S- 0 0 39 -3,-1.3 4,-2.6 -4,-0.3 5,-0.3 -0.292 76.4-109.9 -61.9 153.3 26.9 -56.3 -35.9 522 1057 B P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.916 119.0 48.6 -51.2 -50.0 27.2 -59.3 -38.2 523 1058 B P H > S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.928 113.7 47.7 -55.4 -45.4 29.4 -57.3 -40.8 524 1059 B A H > S+ 0 0 34 -6,-0.2 4,-2.0 2,-0.2 5,-0.1 0.915 116.7 41.6 -61.2 -46.2 31.7 -56.0 -38.0 525 1060 B E H X S+ 0 0 15 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.943 118.0 45.4 -71.3 -48.0 32.2 -59.5 -36.4 526 1061 B F H X S+ 0 0 10 -4,-3.0 4,-2.4 -5,-0.3 5,-0.3 0.921 113.4 50.7 -59.3 -43.4 32.5 -61.4 -39.7 527 1062 B M H X S+ 0 0 29 -4,-2.6 4,-3.2 -5,-0.4 7,-0.2 0.905 108.6 52.5 -63.8 -37.9 34.9 -58.7 -41.0 528 1063 B R H < S+ 0 0 149 -4,-2.0 -1,-0.2 -5,-0.2 4,-0.2 0.893 113.0 44.4 -59.7 -43.4 37.0 -58.9 -37.8 529 1064 B M H < S+ 0 0 64 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.844 119.6 41.1 -70.3 -37.4 37.3 -62.7 -38.3 530 1065 B I H < S- 0 0 9 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.845 126.5 -91.3 -77.2 -39.6 38.0 -62.5 -42.0 531 1066 B G >< - 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