==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-APR-12 4EI4 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,M.STEFFEK . 573 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 29.5 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 0 2 1 3 2 2 0 4 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 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 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 1 853 A G 0 0 130 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-135.8 -46.5 66.8 -20.9 2 854 A D - 0 0 153 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.436 360.0 -81.5 -82.6 157.5 -42.7 67.4 -21.0 3 855 A I - 0 0 173 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.369 45.5-130.5 -58.9 128.5 -40.0 64.9 -20.0 4 856 A V + 0 0 136 -2,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.773 33.2 173.8 -90.0 111.1 -39.6 65.0 -16.2 5 857 A S - 0 0 114 -2,-0.7 2,-0.5 3,-0.0 0, 0.0 -0.329 37.9 -89.4 -95.5-174.0 -35.9 65.3 -15.2 6 858 A E - 0 0 168 -2,-0.1 2,-0.1 3,-0.0 -2,-0.0 -0.915 37.5-113.0-104.0 126.2 -34.5 65.8 -11.6 7 859 A K - 0 0 198 -2,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.387 39.2-123.5 -47.8 121.4 -34.0 69.3 -10.2 8 860 A K - 0 0 193 -2,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.623 22.4-141.4 -76.1 125.6 -30.2 69.6 -9.9 9 861 A P - 0 0 93 0, 0.0 2,-0.8 0, 0.0 -1,-0.0 -0.462 37.7 -78.7 -80.3 163.5 -29.0 70.4 -6.4 10 862 A A - 0 0 95 -2,-0.1 2,-1.1 1,-0.1 -2,-0.0 -0.480 46.3-144.4 -68.2 104.6 -26.0 72.8 -5.7 11 863 A T - 0 0 135 -2,-0.8 -1,-0.1 -3,-0.0 2,-0.1 -0.569 17.1-165.0 -78.6 97.7 -22.9 70.7 -6.4 12 864 A E - 0 0 187 -2,-1.1 2,-0.6 1,-0.1 -1,-0.0 -0.324 21.4-114.9 -73.6 161.2 -20.2 71.8 -3.9 13 865 A V - 0 0 135 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.910 18.0-149.8-106.3 117.8 -16.5 70.9 -4.5 14 866 A D > - 0 0 92 -2,-0.6 3,-1.3 1,-0.1 0, 0.0 -0.768 1.9-157.1 -81.3 117.1 -14.9 68.5 -1.9 15 867 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.547 91.0 59.5 -73.6 -6.3 -11.1 69.4 -1.8 16 868 A T T 3 S+ 0 0 45 69,-0.1 70,-2.3 1,-0.0 2,-0.6 0.276 86.1 91.8-100.9 7.4 -10.4 65.9 -0.5 17 869 A H B < -a 86 0A 83 -3,-1.3 2,-0.5 68,-0.2 70,-0.2 -0.893 57.6-167.0-108.6 112.6 -11.8 64.2 -3.5 18 870 A F - 0 0 13 68,-2.9 2,-0.4 -2,-0.6 70,-0.3 -0.845 17.5-134.0-101.5 123.9 -9.4 63.4 -6.2 19 871 A E >> - 0 0 75 -2,-0.5 3,-1.6 1,-0.1 4,-0.7 -0.619 9.8-137.6 -78.0 129.2 -10.9 62.4 -9.6 20 872 A K G >4 S+ 0 0 157 -2,-0.4 3,-0.9 68,-0.3 -1,-0.1 0.838 99.5 65.1 -52.3 -38.2 -9.2 59.4 -11.1 21 873 A R G 34 S+ 0 0 166 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.725 107.5 40.2 -63.4 -22.2 -9.1 61.0 -14.6 22 874 A F G <4 S+ 0 0 43 -3,-1.6 21,-2.6 20,-0.0 2,-0.9 0.489 88.9 99.1-102.8 -6.3 -6.8 63.8 -13.5 23 875 A L E << -B 42 0A 22 -3,-0.9 2,-0.6 -4,-0.7 19,-0.2 -0.724 57.7-170.7 -86.9 104.7 -4.4 61.7 -11.3 24 876 A K E -B 41 0A 120 17,-2.6 17,-2.3 -2,-0.9 2,-0.1 -0.865 17.9-127.4-111.8 121.5 -1.4 61.0 -13.5 25 877 A R E +B 40 0A 148 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.365 30.7 167.2 -70.7 134.4 1.3 58.6 -12.5 26 878 A I E - 0 0 72 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.755 61.8 -38.8-106.3 -56.4 5.0 59.7 -12.6 27 879 A R E -B 39 0A 124 12,-1.5 12,-3.4 0, 0.0 -1,-0.4 -0.986 60.2 -82.5-164.2 168.8 6.8 56.9 -10.7 28 880 A D E -B 38 0A 59 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.621 26.1-176.0 -80.1 138.0 6.8 54.4 -7.9 29 881 A L E - 0 0 63 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.723 63.4 -43.9-102.4 -32.8 7.9 55.6 -4.4 30 882 A G E +B 37 0A 33 7,-1.8 7,-3.4 2,-0.0 -1,-0.4 -0.941 59.1 162.5 174.7 168.4 7.7 52.2 -2.6 31 883 A E E -B 36 0A 123 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.979 10.1-172.4-172.7-177.4 5.8 49.1 -2.1 32 884 A G E > -B 35 0A 32 3,-2.2 2,-1.9 -2,-0.3 3,-1.2 -0.314 59.3 -27.9 164.1 125.0 5.6 45.5 -0.9 33 885 A H T 3 S+ 0 0 107 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 -0.463 128.3 5.3 83.3 -77.2 3.2 42.6 -1.0 34 886 A F T 3 S+ 0 0 66 -2,-1.9 25,-3.1 1,-0.1 2,-0.3 0.642 123.5 41.2-118.4 -25.6 -0.3 44.0 -1.1 35 887 A G E < -BC 32 58A 17 -3,-1.2 -3,-2.2 23,-0.3 2,-0.3 -0.842 53.3-170.4-129.7 160.9 0.2 47.8 -1.4 36 888 A K E -BC 31 57A 42 21,-2.0 21,-2.3 -2,-0.3 2,-0.4 -0.985 15.2-140.5-146.3 154.4 2.2 50.4 -3.3 37 889 A V E -BC 30 56A 26 -7,-3.4 -8,-3.3 -2,-0.3 -7,-1.8 -0.983 21.4-170.2-120.1 130.3 2.8 54.1 -3.2 38 890 A E E -BC 28 55A 32 17,-2.7 17,-3.0 -2,-0.4 2,-0.5 -0.919 24.3-124.0-119.5 141.0 3.2 56.1 -6.4 39 891 A L E +BC 27 54A 6 -12,-3.4 -13,-3.0 -2,-0.4 -12,-1.5 -0.756 43.7 168.9 -75.9 125.0 4.3 59.7 -7.1 40 892 A C E -BC 25 53A 5 13,-2.5 13,-2.6 -2,-0.5 2,-0.5 -0.931 34.0-133.2-130.2 162.8 1.5 61.4 -9.2 41 893 A R E -BC 24 52A 49 -17,-2.3 -17,-2.6 -2,-0.3 2,-1.1 -0.981 14.9-145.3-109.3 125.9 0.5 64.8 -10.4 42 894 A Y E +BC 23 51A 39 9,-2.8 9,-0.6 -2,-0.5 -19,-0.2 -0.811 31.0 172.2 -88.0 103.1 -3.1 65.8 -9.9 43 895 A D > + 0 0 20 -21,-2.6 3,-1.4 -2,-1.1 5,-0.1 -0.603 17.7 160.0-123.6 68.4 -3.4 67.8 -13.0 44 896 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.704 81.9 53.2 -62.7 -22.3 -7.1 68.9 -13.6 45 897 A E T 3 S- 0 0 145 -3,-0.1 -2,-0.1 -23,-0.1 -3,-0.0 0.535 102.2-138.4 -87.8 -10.3 -5.9 71.7 -16.0 46 898 A G S < S+ 0 0 61 -3,-1.4 -3,-0.1 -24,-0.1 -4,-0.0 0.707 73.3 106.1 65.2 25.4 -3.9 69.2 -18.0 47 899 A D S S- 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.186 94.1-104.6-121.3 15.8 -0.8 71.5 -18.4 48 900 A N S S+ 0 0 107 -5,-0.1 -5,-0.0 1,-0.1 -6,-0.0 0.776 94.6 106.8 65.2 30.6 1.7 69.8 -16.0 49 901 A T + 0 0 83 2,-0.1 3,-0.1 -8,-0.0 -6,-0.1 0.489 49.1 113.0-110.5 -8.2 1.3 72.6 -13.3 50 902 A G S S- 0 0 14 1,-0.1 -7,-0.2 -9,-0.1 2,-0.1 -0.028 75.7 -79.2 -66.4 167.6 -0.8 70.6 -10.8 51 903 A E E -C 42 0A 114 -9,-0.6 -9,-2.8 -10,-0.1 2,-0.4 -0.364 38.3-126.9 -69.0 141.2 0.2 69.5 -7.3 52 904 A Q E +C 41 0A 71 -11,-0.2 45,-0.7 -3,-0.1 2,-0.3 -0.787 36.0 177.3 -86.4 131.4 2.4 66.4 -6.8 53 905 A V E -CD 40 96A 0 -13,-2.6 -13,-2.5 -2,-0.4 2,-0.5 -0.908 32.4-117.5-134.0 156.5 0.9 63.9 -4.4 54 906 A A E -CD 39 95A 7 41,-3.0 41,-3.4 -2,-0.3 2,-0.6 -0.875 30.8-160.2 -96.4 126.3 1.7 60.5 -3.0 55 907 A V E -CD 38 94A 1 -17,-3.0 -17,-2.7 -2,-0.5 2,-0.5 -0.933 5.6-162.2-116.4 116.3 -0.9 57.9 -3.9 56 908 A K E +CD 37 93A 19 37,-3.0 37,-2.6 -2,-0.6 2,-0.2 -0.885 22.8 161.2 -98.1 124.9 -1.3 54.6 -2.0 57 909 A S E -C 36 0A 3 -21,-2.3 -21,-2.0 -2,-0.5 2,-0.3 -0.763 38.5-100.7-129.3 172.9 -3.2 51.9 -3.8 58 910 A L E C 35 0A 50 33,-0.3 -23,-0.3 -2,-0.2 -24,-0.1 -0.785 360.0 360.0 -96.1 144.8 -3.7 48.1 -3.6 59 911 A K 0 0 137 -25,-3.1 -1,-0.0 -2,-0.3 -23,-0.0 -0.591 360.0 360.0 -79.6 360.0 -1.8 45.7 -5.9 60 ! 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 61 918 A H > 0 0 105 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -7.4 -7.1 43.9 1.5 62 919 A I H > + 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.927 360.0 52.7 -59.6 -47.2 -9.6 46.7 0.6 63 920 A A H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.828 105.5 55.2 -62.6 -33.1 -10.9 46.9 4.2 64 921 A D H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 108.4 46.8 -63.2 -47.2 -7.3 47.3 5.6 65 922 A L H X S+ 0 0 5 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.893 109.9 54.1 -63.1 -40.7 -6.6 50.3 3.4 66 923 A K H X S+ 0 0 96 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.860 110.1 47.3 -60.9 -37.9 -10.0 51.9 4.4 67 924 A K H X S+ 0 0 104 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.912 110.9 51.4 -68.6 -44.3 -9.0 51.5 8.1 68 925 A E H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.892 109.7 50.9 -55.1 -43.9 -5.6 53.0 7.4 69 926 A I H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.874 108.9 50.3 -64.0 -41.3 -7.3 56.0 5.6 70 927 A E H X S+ 0 0 98 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.814 112.0 48.9 -66.6 -32.4 -9.6 56.5 8.6 71 928 A I H >< S+ 0 0 16 -4,-1.8 3,-0.9 2,-0.2 -2,-0.2 0.978 115.2 41.9 -69.1 -54.3 -6.6 56.5 11.0 72 929 A L H >< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 11,-0.4 0.846 106.5 61.7 -63.4 -39.3 -4.5 58.9 9.0 73 930 A R H 3< S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.742 109.7 42.5 -59.7 -29.3 -7.3 61.3 8.2 74 931 A N T << S+ 0 0 65 -3,-0.9 2,-0.5 -4,-0.6 -1,-0.3 0.133 91.8 99.0-108.2 14.4 -7.8 62.0 11.9 75 932 A L < + 0 0 14 -3,-1.7 2,-0.4 6,-0.1 8,-0.3 -0.923 46.4 178.0 -99.2 129.3 -4.2 62.3 12.8 76 933 A Y + 0 0 165 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.922 24.0 124.6-132.6 106.5 -2.9 65.9 13.1 77 934 A H > - 0 0 55 -2,-0.4 3,-1.9 3,-0.3 -2,-0.0 -0.955 62.3-122.1-160.2 145.6 0.7 66.4 14.2 78 935 A E T 3 S+ 0 0 124 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.727 114.3 50.6 -66.2 -21.6 3.7 68.2 12.7 79 936 A N T 3 S+ 0 0 2 78,-0.1 79,-2.6 46,-0.1 2,-0.4 0.004 96.3 82.9-105.3 24.8 5.7 65.0 12.6 80 937 A I B < S-f 158 0B 4 -3,-1.9 -3,-0.3 77,-0.3 79,-0.2 -0.999 88.6-105.1-127.2 133.7 3.0 62.9 10.9 81 938 A V - 0 0 2 77,-2.7 2,-0.3 -2,-0.4 -6,-0.1 -0.235 43.1-107.7 -58.4 140.7 2.5 62.9 7.1 82 939 A K - 0 0 122 -4,-0.1 14,-2.3 -6,-0.1 2,-0.3 -0.561 18.0-136.7 -80.2 127.6 -0.6 64.8 5.9 83 940 A Y E + E 0 95A 51 -11,-0.4 12,-0.2 -2,-0.3 3,-0.1 -0.625 24.3 175.0 -66.5 133.5 -3.7 63.2 4.6 84 941 A K E - 0 0 54 10,-2.6 2,-0.3 1,-0.4 11,-0.2 0.654 48.9 -83.7-112.0 -39.5 -4.9 65.1 1.4 85 942 A G E - E 0 94A 0 9,-2.1 9,-3.0 -68,-0.0 -1,-0.4 -0.993 40.0 -77.3 168.8-159.3 -7.8 62.9 0.4 86 943 A I E -aE 17 93A 41 -70,-2.3 -68,-2.9 -2,-0.3 2,-0.4 -0.931 13.6-147.7-133.8 157.6 -9.0 59.8 -1.5 87 944 A C E E 0 92A 4 5,-2.0 5,-2.6 -2,-0.3 -68,-0.1 -1.000 360.0 360.0-120.0 124.2 -9.7 58.7 -5.0 88 945 A T 0 0 106 -2,-0.4 -68,-0.3 -70,-0.3 3,-0.2 -0.941 360.0 360.0-115.4 360.0 -12.7 56.2 -5.2 89 ! 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 90 951 A G 0 0 87 0, 0.0 2,-0.3 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0 153.6 -11.9 50.5 -5.0 91 952 A I - 0 0 24 -3,-0.2 2,-0.4 2,-0.0 -33,-0.3 -0.962 360.0-160.3-159.6 141.4 -10.0 53.3 -3.1 92 953 A K E - E 0 87A 66 -5,-2.6 -5,-2.0 -2,-0.3 2,-0.5 -0.980 18.6-135.7-121.4 137.9 -6.7 55.2 -3.2 93 954 A L E -DE 56 86A 0 -37,-2.6 -37,-3.0 -2,-0.4 2,-0.5 -0.839 17.5-154.4 -91.2 123.0 -5.2 57.2 -0.3 94 955 A I E +DE 55 85A 0 -9,-3.0 -10,-2.6 -2,-0.5 -9,-2.1 -0.888 20.4 171.2-102.4 124.4 -3.8 60.5 -1.3 95 956 A M E -DE 54 83A 6 -41,-3.4 -41,-3.0 -2,-0.5 -12,-0.2 -0.832 40.2 -84.2-123.3 162.9 -1.0 62.0 0.9 96 957 A E E -D 53 0A 28 -14,-2.3 2,-0.5 -2,-0.3 -43,-0.2 -0.363 43.4-127.5 -61.6 145.6 1.4 64.9 0.7 97 958 A F - 0 0 34 -45,-0.7 -45,-0.1 -57,-0.1 -1,-0.1 -0.865 15.1-160.7 -99.6 128.0 4.6 64.2 -1.3 98 959 A L > - 0 0 6 -2,-0.5 3,-2.6 1,-0.1 52,-0.2 -0.915 7.1-155.7-109.9 101.9 7.9 65.0 0.4 99 960 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 0.631 88.0 63.5 -58.1 -18.8 10.5 65.3 -2.3 100 961 A S T 3 S- 0 0 47 50,-0.7 6,-0.1 1,-0.2 51,-0.1 0.553 95.4-154.2 -79.1 -8.2 13.5 64.4 -0.1 101 962 A G < - 0 0 19 -3,-2.6 49,-3.2 49,-0.2 -1,-0.2 -0.283 34.5 -30.1 74.5-158.0 12.0 60.9 0.5 102 963 A S B >> -G 149 0B 6 47,-0.3 4,-2.8 -3,-0.1 3,-0.9 -0.405 65.4 -96.7 -88.9 172.0 12.6 58.8 3.5 103 964 A L H 3> S+ 0 0 0 45,-2.3 4,-2.3 42,-1.1 43,-0.2 0.819 122.8 65.7 -55.0 -32.2 15.7 58.6 5.7 104 965 A K H 34 S+ 0 0 69 41,-0.4 -1,-0.2 44,-0.2 42,-0.1 0.868 113.3 29.2 -57.1 -42.1 16.7 55.6 3.6 105 966 A E H <> S+ 0 0 89 -3,-0.9 4,-0.6 2,-0.1 -2,-0.2 0.857 125.4 45.3 -84.9 -41.6 17.1 57.8 0.5 106 967 A Y H X S+ 0 0 14 -4,-2.8 4,-0.7 1,-0.2 3,-0.3 0.841 103.4 57.2 -79.6 -39.1 18.1 61.1 2.2 107 968 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 -5,-0.2 4,-0.3 0.910 103.0 52.4 -67.4 -44.5 20.7 60.1 4.8 108 969 A P H 34 S+ 0 0 62 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.824 115.1 44.1 -59.9 -27.6 23.2 58.4 2.5 109 970 A K H 3< S+ 0 0 170 -4,-0.6 -2,-0.2 -3,-0.3 -3,-0.1 0.516 116.3 44.5 -92.3 -9.5 23.2 61.5 0.3 110 971 A N XX + 0 0 37 -3,-1.0 4,-1.7 -4,-0.7 3,-1.1 0.060 65.0 123.5-131.1 25.8 23.4 64.2 3.0 111 972 A K T 34 S+ 0 0 114 -4,-0.3 3,-0.2 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16.1 473 1049 B A >> - 0 0 0 -2,-0.3 4,-1.6 13,-0.3 3,-1.3 -0.254 35.5-108.1 -61.5 156.2 10.8 18.3 19.9 474 1050 B P H 3> S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.881 118.2 58.3 -60.2 -39.3 10.6 21.9 21.2 475 1051 B E H 3> S+ 0 0 7 83,-0.3 6,-1.9 1,-0.2 4,-1.1 0.695 107.4 49.6 -61.1 -22.2 14.2 21.9 22.4 476 1052 B C H <> S+ 0 0 6 -3,-1.3 4,-0.7 4,-0.2 -1,-0.2 0.807 116.2 41.3 -80.1 -38.4 15.2 21.2 18.8 477 1053 B L H < S+ 0 0 3 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.1 0.865 122.1 39.8 -75.4 -37.6 13.0 24.0 17.5 478 1054 B M H < S+ 0 0 36 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.899 138.2 5.1 -82.1 -43.1 13.9 26.5 20.3 479 1055 B Q H < S- 0 0 74 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.412 89.1-117.5-125.2 -1.9 17.6 26.0 20.7 480 1056 B S < + 0 0 12 -4,-0.7 -19,-2.4 1,-0.2 2,-0.4 0.871 65.6 143.7 55.1 40.3 18.7 23.5 18.0 481 1057 B K E -T 460 0H 46 -6,-1.9 2,-0.5 -21,-0.2 -1,-0.2 -0.925 34.6-157.9-108.3 137.2 19.8 21.0 20.8 482 1058 B F E +T 459 0H 2 -23,-1.5 -23,-1.9 -2,-0.4 2,-0.2 -0.935 13.5 174.6-129.1 112.3 19.2 17.3 20.1 483 1059 B Y E >> -T 458 0H 54 -2,-0.5 3,-1.6 -25,-0.2 4,-1.0 -0.634 48.0-107.8-103.8 163.2 18.9 14.5 22.7 484 1060 B I H >> S+ 0 0 68 -27,-0.6 4,-1.2 1,-0.3 3,-0.6 0.872 124.8 60.1 -54.0 -35.4 18.1 10.8 22.5 485 1061 B A H 3> S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.668 95.3 61.4 -66.8 -21.2 14.8 11.9 24.0 486 1062 B S H <> S+ 0 0 0 -3,-1.6 4,-1.7 2,-0.2 -13,-0.3 0.791 101.0 51.7 -73.9 -34.8 14.3 14.1 21.0 487 1063 B D H S+ 0 0 7 -4,-2.0 5,-3.1 2,-0.2 6,-0.3 0.882 111.0 51.8 -57.5 -43.6 1.7 8.5 10.8 498 1074 B L H ><5S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.933 109.2 49.4 -61.5 -48.0 1.7 4.7 11.0 499 1075 B L H 3<5S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.737 112.1 48.4 -63.7 -28.9 -1.6 4.7 12.7 500 1076 B T T ><5S- 0 0 13 -4,-1.3 3,-1.4 -5,-0.2 -1,-0.3 0.249 113.2-120.0 -92.3 8.9 -3.1 7.0 10.0 501 1077 B Y T < 5 - 0 0 45 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.835 60.3 -72.4 56.4 34.7 -1.6 4.7 7.3 502 1078 B C T 3 S+ 0 0 75 -2,-0.4 3,-1.3 1,-0.3 6,-0.3 0.870 103.8 54.5 -49.5 -43.9 -1.5 12.9 3.2 505 1081 B D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.581 112.4 43.6 -72.8 -9.8 -4.6 14.6 4.7 506 1082 B S G < S+ 0 0 35 -3,-1.9 -1,-0.3 -6,-0.1 -2,-0.2 0.274 86.1 129.9-111.8 7.7 -3.7 13.2 8.2 507 1083 B S S <> S- 0 0 17 -3,-1.3 4,-2.7 -4,-0.4 5,-0.3 -0.239 71.5-113.9 -65.4 150.6 -0.0 14.0 8.0 508 1084 B P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.863 118.1 52.0 -50.6 -43.5 1.6 15.9 10.9 509 1085 B M H > S+ 0 0 100 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.970 111.9 45.4 -56.4 -56.7 2.3 18.8 8.6 510 1086 B A H > S+ 0 0 35 -6,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.897 116.8 44.7 -55.4 -44.1 -1.4 19.0 7.5 511 1087 B L H X S+ 0 0 39 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.861 115.8 46.3 -72.4 -36.0 -2.8 18.6 11.0 512 1088 B F H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.915 109.3 54.3 -71.3 -43.1 -0.3 21.1 12.5 513 1089 B L H X S+ 0 0 40 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.666 108.5 51.3 -63.7 -18.1 -0.9 23.7 9.7 514 1090 B K H < S+ 0 0 185 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.865 110.8 47.5 -80.5 -43.9 -4.6 23.4 10.6 515 1091 B M H < S+ 0 0 69 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.917 128.6 23.0 -60.4 -46.0 -4.0 24.0 14.3 516 1092 B I H < S- 0 0 16 -4,-2.6 -3,-0.2 1,-0.1 -1,-0.2 0.600 116.3 -97.9-101.9 -15.1 -1.7 27.0 13.7 517 1093 B G < - 0 0 15 -4,-0.8 3,-0.3 -5,-0.3 -3,-0.2 0.144 16.3-122.7 100.4 139.6 -2.7 28.3 10.3 518 1094 B P S S+ 0 0 94 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.401 97.9 70.2 -91.6 2.5 -1.0 27.7 6.9 519 1095 B T + 0 0 65 1,-0.2 -339,-0.4 -6,-0.1 -340,-0.3 -0.227 65.1 96.1-118.1 39.6 -0.4 31.3 6.0 520 1096 B H > - 0 0 16 -3,-0.3 3,-2.7 1,-0.2 -1,-0.2 0.430 54.1-177.8-111.0 -1.8 2.3 32.4 8.5 521 1097 B G G > S+ 0 0 43 1,-0.3 3,-1.7 -3,-0.3 4,-0.3 -0.102 73.9 12.4 46.9-119.1 5.4 32.0 6.3 522 1098 B Q G 3 S+ 0 0 109 -342,-0.5 -282,-0.3 1,-0.3 -1,-0.3 0.593 127.9 60.4 -61.7 -16.7 8.6 32.8 8.3 523 1099 B M G <> S+ 0 0 2 -3,-2.7 4,-2.2 1,-0.1 -1,-0.3 0.397 74.7 97.9 -93.3 3.0 6.6 32.8 11.5 524 1100 B T H <> S+ 0 0 17 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.929 82.1 47.5 -59.7 -49.6 5.4 29.1 11.3 525 1101 B V H > S+ 0 0 2 -288,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.882 111.9 50.0 -63.9 -39.7 8.0 27.6 13.6 526 1102 B T H > S+ 0 0 13 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.904 112.4 47.6 -66.2 -39.4 7.5 30.2 16.3 527 1103 B R H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.847 111.9 51.4 -66.8 -35.2 3.7 29.7 16.1 528 1104 B L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.938 109.7 48.3 -62.5 -50.9 4.4 25.9 16.3 529 1105 B V H X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.876 112.3 50.8 -56.4 -38.6 6.6 26.3 19.4 530 1106 B N H X S+ 0 0 37 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.922 108.5 50.6 -67.2 -45.3 3.9 28.5 20.9 531 1107 B T H <>S+ 0 0 12 -4,-2.4 5,-1.8 1,-0.2 4,-0.4 0.918 112.3 47.2 -53.9 -48.6 1.2 25.8 20.1 532 1108 B L H ><5S+ 0 0 3 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.808 108.1 56.3 -66.2 -33.9 3.4 23.1 21.8 533 1109 B K H 3<5S+ 0 0 102 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.928 103.2 54.1 -62.4 -44.4 4.0 25.4 24.8 534 1110 B E T 3<5S- 0 0 125 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.554 123.5-107.2 -69.1 -10.9 0.2 25.8 25.4 535 1111 B G T < 5 + 0 0 37 -3,-0.6 -3,-0.2 -4,-0.4 2,-0.2 0.443 67.0 149.3 101.9 3.5 0.0 22.0 25.5 536 1112 B K < + 0 0 114 -5,-1.8 -1,-0.3 -21,-0.0 2,-0.3 -0.479 18.8 174.1 -72.7 136.5 -1.6 21.3 22.2 537 1113 B R - 0 0 31 -2,-0.2 16,-0.0 1,-0.0 -5,-0.0 -0.891 41.6 -73.3-136.7 164.6 -0.7 17.9 20.6 538 1114 B L - 0 0 2 -2,-0.3 -26,-0.0 1,-0.1 -1,-0.0 -0.315 60.8-108.4 -58.5 143.8 -1.7 15.9 17.5 539 1115 B P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.109 38.1 -82.0 -74.2 169.7 -5.1 14.3 18.0 540 1116 B C - 0 0 55 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.594 51.0-119.4 -66.0 124.8 -5.9 10.7 18.6 541 1117 B P > - 0 0 6 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.268 40.9 -83.2 -58.7 153.9 -6.0 8.9 15.2 542 1118 B P T 3 S+ 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.309 114.0 8.0 -54.5 141.4 -9.3 7.2 14.2 543 1119 B N T 3 S+ 0 0 162 1,-0.2 -142,-0.1 -3,-0.1 -3,-0.0 0.527 92.2 134.0 63.1 7.6 -9.7 3.7 15.8 544 1120 B C < - 0 0 13 -3,-1.6 -1,-0.2 2,-0.0 5,-0.0 -0.814 55.2-129.7 -88.1 118.5 -6.5 4.2 17.9 545 1121 B P >> - 0 0 37 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.182 18.6-110.9 -67.0 161.6 -7.4 3.0 21.5 546 1122 B D H 3> S+ 0 0 100 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.867 115.4 58.0 -62.1 -40.7 -6.6 5.2 24.5 547 1123 B E H 3> S+ 0 0 110 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.790 109.6 45.1 -62.9 -29.5 -3.8 2.9 25.8 548 1124 B V H <> S+ 0 0 1 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.893 113.1 50.8 -77.1 -41.8 -2.0 3.3 22.5 549 1125 B Y H X S+ 0 0 27 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.843 106.8 54.7 -62.3 -37.9 -2.6 7.1 22.4 550 1126 B Q H X S+ 0 0 83 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.879 105.0 51.7 -64.5 -41.5 -1.2 7.4 26.0 551 1127 B L H < S+ 0 0 20 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.885 111.9 49.6 -58.8 -37.6 2.0 5.7 25.0 552 1128 B M H >< S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 4,-0.4 0.854 106.5 53.8 -67.4 -40.2 2.2 8.3 22.2 553 1129 B R H >< S+ 0 0 86 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.822 99.3 62.1 -70.1 -27.8 1.5 11.2 24.5 554 1130 B K G >< S+ 0 0 102 -4,-1.7 10,-2.0 1,-0.2 3,-0.6 0.688 97.6 59.3 -68.0 -18.1 4.4 10.2 26.7 555 1131 B C G < S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.674 103.5 55.0 -75.1 -19.6 6.7 10.8 23.7 556 1132 B W G < + 0 0 6 -3,-1.0 -1,-0.2 -4,-0.4 2,-0.2 -0.003 67.1 140.3-112.8 28.4 5.5 14.4 23.6 557 1133 B E < - 0 0 82 -3,-0.6 6,-0.1 1,-0.1 -68,-0.0 -0.519 56.8-128.1 -64.0 138.2 6.3 15.6 27.2 558 1134 B F S S+ 0 0 51 -2,-0.2 -83,-0.3 4,-0.1 -1,-0.1 0.889 93.8 59.9 -60.3 -43.1 7.5 19.2 26.8 559 1135 B Q S > S- 0 0 107 1,-0.1 3,-1.2 -85,-0.1 4,-0.4 -0.769 79.5-141.2 -90.9 126.7 10.7 18.6 28.8 560 1136 B P G > S+ 0 0 21 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.826 100.7 60.8 -54.9 -35.9 13.0 15.9 27.4 561 1137 B S G 3 S+ 0 0 104 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.800 103.7 51.5 -61.4 -30.9 13.9 14.6 30.9 562 1138 B N G < S+ 0 0 104 -3,-1.2 -1,-0.2 -5,-0.0 2,-0.1 0.466 89.3 107.4 -85.3 -6.1 10.2 13.8 31.4 563 1139 B R S < S- 0 0 20 -3,-1.2 -8,-0.2 -4,-0.4 -9,-0.1 -0.390 74.0-106.4 -75.6 151.9 9.7 11.8 28.2 564 1140 B T - 0 0 17 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.196 34.7-122.5 -63.1 164.4 9.4 8.0 27.9 565 1141 B S > - 0 0 58 1,-0.1 4,-2.1 -77,-0.0 5,-0.1 -0.647 19.5-112.8-103.5 166.8 12.3 5.9 26.6 566 1142 B F H > S+ 0 0 6 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.907 119.5 56.6 -65.2 -38.3 12.4 3.5 23.7 567 1143 B Q H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 108.5 45.6 -58.3 -41.7 12.8 0.7 26.2 568 1144 B N H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.870 111.2 52.8 -71.5 -39.6 9.5 1.7 28.0 569 1145 B L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.917 107.8 51.8 -54.4 -50.1 7.7 2.0 24.7 570 1146 B I H X S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.958 111.9 46.1 -54.0 -53.3 8.8 -1.5 23.7 571 1147 B E H X S+ 0 0 116 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.879 112.4 51.1 -57.1 -42.7 7.5 -2.9 27.0 572 1148 B G H X S+ 0 0 19 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.900 114.0 42.8 -62.5 -44.7 4.2 -0.9 26.7 573 1149 B F H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.885 112.0 54.2 -68.1 -41.5 3.6 -2.2 23.1 574 1150 B E H X S+ 0 0 87 -4,-2.8 4,-0.6 -5,-0.3 -2,-0.2 0.810 106.1 52.9 -64.6 -31.3 4.6 -5.8 24.0 575 1151 B A H < S+ 0 0 67 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.833 108.4 49.8 -70.9 -34.9 2.0 -5.8 26.9 576 1152 B L H < S+ 0 0 64 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.805 106.6 56.6 -70.2 -30.6 -0.8 -4.7 24.5 577 1153 B L H < 0 0 43 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.619 360.0 360.0 -78.5 -16.9 0.3 -7.5 22.1 578 1154 B K < 0 0 224 -4,-0.6 -3,-0.0 -3,-0.3 0, 0.0 -0.611 360.0 360.0 -76.0 360.0 -0.2 -10.1 24.8