==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-NOV-12 4HVD . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.SHAO . 276 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 17.0 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 2 0 2 0 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 1 0 0 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 . 2 0 1 0 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 1 815 A T 0 0 107 0, 0.0 74,-2.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -16.7 0.3 2.2 3.6 2 816 A I B -a 75 0A 121 72,-0.2 2,-0.4 74,-0.0 74,-0.2 -0.947 360.0-165.9-108.0 121.7 2.6 1.6 6.5 3 817 A F - 0 0 29 72,-3.3 2,-0.4 -2,-0.6 74,-0.4 -0.901 18.9-128.8-106.7 131.4 2.0 -1.7 8.4 4 818 A E > - 0 0 103 -2,-0.4 3,-1.4 1,-0.1 4,-0.5 -0.681 13.6-139.7 -78.9 130.4 3.5 -2.4 11.8 5 819 A E G > S+ 0 0 105 -2,-0.4 3,-1.5 72,-0.4 -1,-0.1 0.857 99.8 61.8 -59.7 -39.3 5.4 -5.7 11.9 6 820 A R G 3 S+ 0 0 169 1,-0.3 -1,-0.3 3,-0.1 22,-0.0 0.730 103.9 51.7 -58.5 -22.8 4.1 -6.6 15.4 7 821 A H G < S+ 0 0 26 -3,-1.4 21,-3.2 20,-0.1 2,-0.7 0.548 88.8 89.7 -92.1 -11.6 0.6 -6.5 13.9 8 822 A L E < -B 27 0A 21 -3,-1.5 2,-0.5 -4,-0.5 19,-0.2 -0.818 66.2-161.0 -89.9 113.1 1.4 -8.9 11.0 9 823 A K E -B 26 0A 74 17,-2.8 17,-2.3 -2,-0.7 2,-0.1 -0.854 15.9-124.8-103.5 123.7 0.7 -12.4 12.2 10 824 A Y E +B 25 0A 127 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.419 37.2 161.3 -69.1 134.0 2.3 -15.3 10.3 11 825 A I E - 0 0 73 13,-2.6 2,-0.3 1,-0.4 14,-0.2 0.725 56.3 -39.1-113.6 -55.4 -0.1 -18.0 9.1 12 826 A S E -B 24 0A 43 12,-1.5 12,-2.8 0, 0.0 -1,-0.4 -0.964 60.1 -81.7-164.4 171.5 1.6 -20.0 6.3 13 827 A Q E -B 23 0A 70 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.739 30.3-179.5 -88.3 135.5 3.8 -20.0 3.2 14 828 A L E - 0 0 77 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.759 60.0 -39.4 -99.9 -38.1 2.2 -19.0 -0.1 15 829 A G E -B 22 0A 32 7,-1.9 7,-2.8 2,-0.0 -1,-0.4 -0.989 43.9-148.4-175.6 172.8 5.2 -19.2 -2.4 16 830 A K E +B 21 0A 149 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.823 19.0 155.1-143.9-179.2 8.9 -18.8 -3.1 17 831 A G E > -B 20 0A 44 3,-1.0 3,-1.6 -2,-0.2 2,-0.7 -0.430 62.5 -8.0 149.5 133.4 11.1 -18.0 -6.0 18 832 A N T 3 S- 0 0 89 1,-0.2 -1,-0.1 -2,-0.2 3,-0.0 -0.543 126.2 -32.7 63.3-106.5 14.5 -16.5 -6.6 19 833 A F T 3 S+ 0 0 101 -2,-0.7 25,-1.5 31,-0.1 26,-0.3 0.036 119.7 78.8-136.3 21.6 15.6 -15.1 -3.2 20 834 A G E < -BC 17 43A 5 -3,-1.6 -3,-1.0 23,-0.2 2,-0.3 -0.896 56.7-150.9-130.4 160.6 12.2 -14.1 -1.8 21 835 A S E -BC 16 42A 0 21,-2.6 21,-2.4 -2,-0.3 2,-0.5 -0.957 8.0-145.1-128.3 151.9 9.2 -15.6 -0.1 22 836 A V E -BC 15 41A 35 -7,-2.8 -8,-2.9 -2,-0.3 -7,-1.9 -0.980 22.4-168.8-114.6 126.4 5.5 -14.7 0.0 23 837 A E E -BC 13 40A 42 17,-3.0 17,-3.0 -2,-0.5 2,-0.6 -0.892 24.2-125.7-116.5 144.0 3.7 -15.5 3.3 24 838 A L E +BC 12 39A 14 -12,-2.8 -13,-2.6 -2,-0.4 -12,-1.5 -0.809 43.1 169.6 -82.7 121.8 0.0 -15.5 4.3 25 839 A C E -BC 10 38A 5 13,-2.7 13,-2.8 -2,-0.6 2,-0.5 -0.874 33.3-130.5-127.9 158.6 -0.4 -13.2 7.3 26 840 A R E -BC 9 37A 61 -17,-2.3 -17,-2.8 -2,-0.3 2,-1.2 -0.976 16.1-140.8-107.1 126.2 -3.2 -11.6 9.2 27 841 A Y E +BC 8 36A 68 9,-2.9 9,-0.7 -2,-0.5 -19,-0.2 -0.756 37.2 167.7 -82.7 100.7 -3.0 -7.9 9.8 28 842 A D > + 0 0 2 -21,-3.2 3,-1.2 -2,-1.2 5,-0.1 -0.641 19.6 161.3-126.0 70.1 -4.4 -8.1 13.3 29 843 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.734 84.4 53.0 -65.2 -20.9 -3.9 -4.8 15.3 30 844 A L T 3 S- 0 0 135 -3,-0.1 -2,-0.1 -23,-0.1 -23,-0.0 0.664 100.6-140.7 -82.0 -17.4 -6.6 -5.9 17.7 31 845 A G S < S+ 0 0 50 -3,-1.2 -3,-0.0 -24,-0.1 -4,-0.0 0.740 72.1 109.5 65.2 26.6 -4.7 -9.2 18.2 32 846 A D S S- 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.226 93.3-105.9-118.3 12.0 -8.0 -11.1 18.3 33 847 A N S S+ 0 0 120 -5,-0.1 -6,-0.0 -7,-0.1 -5,-0.0 0.598 94.9 107.2 70.2 15.6 -7.8 -13.0 14.9 34 848 A T + 0 0 96 -8,-0.1 -7,-0.1 2,-0.0 -6,-0.1 0.602 49.4 109.4 -97.4 -12.2 -10.4 -10.7 13.3 35 849 A G S S- 0 0 16 1,-0.1 -7,-0.2 -9,-0.1 2,-0.2 -0.018 75.7 -91.8 -59.3 165.8 -8.0 -8.8 11.1 36 850 A A E -C 27 0A 69 -9,-0.7 -9,-2.9 -10,-0.1 2,-0.3 -0.471 37.6-111.9 -81.5 150.2 -7.9 -9.1 7.3 37 851 A L E +C 26 0A 64 -11,-0.2 48,-0.6 -2,-0.2 2,-0.3 -0.596 37.4 179.1 -80.0 141.5 -5.6 -11.5 5.5 38 852 A V E -CD 25 84A 11 -13,-2.8 -13,-2.7 -2,-0.3 2,-0.5 -0.963 29.0-124.7-137.4 155.1 -2.7 -10.2 3.4 39 853 A A E -CD 24 83A 8 44,-2.1 44,-3.1 -2,-0.3 2,-0.5 -0.896 29.9-162.4 -98.0 132.3 0.1 -11.7 1.3 40 854 A V E -CD 23 82A 1 -17,-3.0 -17,-3.0 -2,-0.5 2,-0.4 -0.968 5.2-159.4-125.0 121.0 3.5 -10.4 2.5 41 855 A K E +CD 22 81A 23 40,-2.9 40,-3.3 -2,-0.5 2,-0.3 -0.825 19.3 165.0 -99.6 135.6 6.7 -10.6 0.4 42 856 A Q E -CD 21 80A 20 -21,-2.4 -21,-2.6 -2,-0.4 2,-0.2 -0.958 31.1-117.3-142.7 161.3 10.1 -10.5 2.0 43 857 A L E -C 20 0A 35 36,-0.6 -23,-0.2 -2,-0.3 3,-0.1 -0.498 10.0-167.8 -92.1 165.8 13.7 -11.2 1.2 44 858 A Q + 0 0 118 -25,-1.5 2,-0.4 -2,-0.2 -24,-0.1 0.061 69.5 83.7-135.9 16.3 16.0 -13.8 2.8 45 859 A H - 0 0 71 -26,-0.3 6,-0.1 2,-0.1 -1,-0.1 -0.986 58.5-161.9-131.1 116.5 19.2 -12.5 1.3 46 860 A S + 0 0 125 -2,-0.4 -1,-0.1 4,-0.1 5,-0.1 0.630 52.3 125.9 -74.5 -13.3 21.1 -9.6 2.9 47 861 A G >> - 0 0 10 1,-0.1 4,-2.2 3,-0.1 3,-0.6 -0.219 65.2-133.7 -53.0 127.0 23.0 -9.0 -0.4 48 862 A P H 3> S+ 0 0 98 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.744 103.3 61.2 -54.9 -31.0 22.6 -5.3 -1.6 49 863 A D H 3> S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.933 110.2 39.4 -61.3 -49.4 21.9 -6.5 -5.2 50 864 A Q H <> S+ 0 0 33 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.899 115.4 51.8 -66.8 -44.3 18.8 -8.4 -4.1 51 865 A Q H X S+ 0 0 54 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.874 111.0 47.9 -63.9 -38.2 17.7 -5.7 -1.6 52 866 A R H X S+ 0 0 105 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.890 112.0 50.3 -67.1 -40.3 18.0 -3.0 -4.3 53 867 A D H X S+ 0 0 54 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.917 111.6 47.6 -62.5 -44.9 16.0 -5.2 -6.7 54 868 A F H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.889 109.8 53.1 -63.3 -42.6 13.3 -5.7 -4.0 55 869 A Q H X S+ 0 0 119 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.896 111.9 46.3 -55.8 -43.8 13.3 -1.9 -3.4 56 870 A R H X S+ 0 0 128 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.895 108.8 55.2 -66.6 -41.5 12.7 -1.4 -7.1 57 871 A E H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.908 108.3 48.9 -56.8 -45.1 10.0 -4.1 -7.2 58 872 A I H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.901 110.3 50.3 -62.7 -44.1 8.1 -2.3 -4.4 59 873 A Q H X S+ 0 0 124 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.891 111.9 49.0 -63.2 -39.5 8.4 1.1 -6.3 60 874 A I H < S+ 0 0 13 -4,-2.4 3,-0.4 2,-0.2 4,-0.2 0.956 114.8 42.1 -63.0 -53.2 7.1 -0.5 -9.5 61 875 A L H >< S+ 0 0 4 -4,-2.5 3,-1.4 1,-0.2 11,-0.4 0.873 109.7 58.3 -66.2 -38.0 4.1 -2.3 -7.9 62 876 A K H 3< S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.860 108.4 47.0 -56.1 -37.6 3.2 0.8 -5.7 63 877 A A T 3< S+ 0 0 59 -4,-1.3 2,-0.6 -3,-0.4 -1,-0.3 0.362 92.4 96.7 -90.9 3.4 2.9 2.8 -8.9 64 878 A L < + 0 0 14 -3,-1.4 2,-0.5 -4,-0.2 8,-0.4 -0.856 46.8 178.0 -99.5 123.9 0.7 0.3 -10.8 65 879 A H + 0 0 149 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.831 25.3 128.6-129.6 93.7 -3.1 0.8 -10.6 66 880 A S > - 0 0 29 -2,-0.5 3,-1.5 3,-0.3 -2,-0.0 -0.999 60.5-132.9-150.0 139.9 -5.1 -1.7 -12.6 67 881 A D T 3 S+ 0 0 116 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.680 113.7 51.3 -60.2 -17.9 -8.0 -4.1 -12.0 68 882 A F T 3 S+ 0 0 43 77,-0.1 78,-2.8 2,-0.1 2,-0.4 0.134 97.5 75.4-112.9 19.5 -5.8 -6.7 -13.7 69 883 A I B < S-f 146 0B 3 -3,-1.5 -3,-0.3 76,-0.3 78,-0.2 -0.999 93.5 -97.5-129.9 133.9 -2.6 -6.3 -11.6 70 884 A V - 0 0 7 76,-2.7 2,-0.5 -2,-0.4 -6,-0.1 -0.179 50.2-107.8 -49.4 134.3 -2.2 -7.6 -8.0 71 885 A K - 0 0 91 -4,-0.1 13,-2.1 -6,-0.1 2,-0.2 -0.569 19.8-138.3 -81.1 120.6 -2.9 -4.7 -5.6 72 886 A Y E + E 0 83A 31 -2,-0.5 11,-0.2 -11,-0.4 3,-0.1 -0.552 23.0 177.0 -63.7 133.2 -0.1 -3.1 -3.6 73 887 A R E - 0 0 109 9,-2.9 2,-0.3 1,-0.4 10,-0.2 0.747 46.7 -84.2-109.3 -42.8 -1.3 -2.5 -0.0 74 888 A G E - E 0 82A 0 8,-1.9 8,-2.9 2,-0.0 -1,-0.4 -0.985 40.1 -83.9 167.4-160.5 1.8 -1.1 1.7 75 889 A V E -aE 2 81A 11 -74,-2.6 -72,-3.3 -2,-0.3 2,-0.4 -0.877 15.7-148.6-131.7 163.4 5.1 -1.9 3.4 76 890 A S E E 0 80A 0 4,-1.7 4,-2.2 -2,-0.3 -72,-0.1 -0.995 360.0 360.0-129.5 140.4 6.5 -2.8 6.8 77 891 A Y 0 0 186 -74,-0.4 -72,-0.4 -2,-0.4 -2,-0.0 -0.778 360.0 360.0-105.5 360.0 10.0 -1.8 8.0 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 79 898 A L 0 0 111 0, 0.0 -36,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -37.8 11.8 -5.0 4.6 80 899 A R E -DE 42 76A 26 -4,-2.2 -4,-1.7 -38,-0.1 2,-0.6 -0.986 360.0-146.1-132.2 139.6 8.3 -6.4 3.6 81 900 A L E -DE 41 75A 0 -40,-3.3 -40,-2.9 -2,-0.4 2,-0.5 -0.899 17.1-153.4-103.8 115.5 5.9 -5.8 0.8 82 901 A V E +DE 40 74A 0 -8,-2.9 -9,-2.9 -2,-0.6 -8,-1.9 -0.763 22.8 166.3 -95.0 126.6 2.2 -6.1 1.7 83 902 A M E -DE 39 72A 21 -44,-3.1 -44,-2.1 -2,-0.5 -11,-0.2 -0.839 41.8 -81.8-130.4 166.2 -0.2 -7.1 -1.0 84 903 A E E -D 38 0A 19 -13,-2.1 2,-0.5 -2,-0.3 -46,-0.2 -0.380 42.8-127.2 -64.9 148.5 -3.8 -8.2 -1.3 85 904 A Y - 0 0 64 -48,-0.6 -48,-0.1 -47,-0.1 -1,-0.1 -0.908 18.3-166.8-102.5 126.7 -4.4 -11.9 -0.6 86 905 A L > - 0 0 11 -2,-0.5 3,-2.2 1,-0.1 52,-0.2 -0.899 2.5-166.1-115.0 95.6 -6.3 -13.8 -3.3 87 906 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.695 80.9 72.6 -60.6 -22.9 -7.4 -17.2 -1.8 88 907 A S T 3 S- 0 0 54 50,-0.6 51,-0.1 1,-0.2 52,-0.1 0.662 93.9-157.0 -67.0 -14.7 -8.3 -18.7 -5.2 89 908 A G < - 0 0 26 -3,-2.2 49,-2.6 49,-0.2 -1,-0.2 -0.264 36.2 -8.6 79.5-158.3 -4.5 -18.9 -5.8 90 909 A C B > -G 137 0B 17 47,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.466 58.4-123.8 -81.7 151.7 -2.7 -19.0 -9.1 91 910 A L H > S+ 0 0 0 45,-3.1 4,-3.2 42,-0.6 5,-0.3 0.836 108.3 63.6 -58.6 -39.1 -4.4 -19.5 -12.4 92 911 A R H > S+ 0 0 90 41,-1.3 4,-1.6 44,-0.3 -1,-0.2 0.927 111.6 36.0 -51.7 -50.6 -2.2 -22.6 -13.2 93 912 A D H > S+ 0 0 53 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.849 115.3 56.0 -72.9 -37.5 -3.7 -24.5 -10.2 94 913 A F H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 108.1 48.5 -60.4 -44.8 -7.2 -22.9 -10.7 95 914 A L H X S+ 0 0 0 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.933 111.3 49.2 -61.3 -48.6 -7.3 -24.2 -14.3 96 915 A Q H < S+ 0 0 86 -4,-1.6 -1,-0.2 -5,-0.3 3,-0.2 0.863 117.0 42.5 -58.6 -39.2 -6.2 -27.7 -13.3 97 916 A R H < S+ 0 0 173 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.868 122.4 34.2 -77.8 -40.0 -8.9 -27.9 -10.5 98 917 A H H >X S+ 0 0 54 -4,-2.5 3,-2.9 1,-0.2 4,-1.1 0.211 76.5 129.2-106.9 15.0 -11.9 -26.3 -12.3 99 918 A R G >< S+ 0 0 116 -4,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.775 70.7 52.6 -33.9 -50.3 -11.2 -27.7 -15.8 100 919 A A G 34 S+ 0 0 111 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.517 110.0 48.4 -76.5 -5.6 -14.7 -29.1 -16.3 101 920 A R G <4 S+ 0 0 180 -3,-2.9 2,-0.7 1,-0.1 -1,-0.2 0.634 93.2 82.4-102.3 -23.1 -16.4 -25.8 -15.4 102 921 A L << - 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0 0 35 -3,-1.1 -3,-0.2 -4,-0.5 3,-0.1 0.823 61.0 -70.7 54.3 35.3 -5.8 -26.0 -18.8 205 1024 A C T 3 S+ 0 0 171 -2,-0.3 3,-1.5 1,-0.2 6,-0.3 0.838 94.4 62.7 -60.1 -37.5 1.0 -31.5 -17.2 208 1027 A S G 3 S+ 0 0 79 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 0.752 115.4 31.1 -66.7 -27.1 0.9 -34.2 -19.9 209 1028 A C G < S+ 0 0 21 -3,-0.8 -1,-0.3 -6,-0.1 -2,-0.2 0.045 91.5 135.7-117.2 27.3 0.8 -31.6 -22.7 210 1029 A S S <> S- 0 0 18 -3,-1.5 4,-2.2 -5,-0.1 5,-0.2 -0.239 73.9-102.0 -62.7 157.3 2.8 -28.9 -20.8 211 1030 A P H > S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.879 125.5 50.1 -48.5 -41.8 5.5 -27.0 -22.7 212 1031 A S H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.922 108.4 51.1 -62.6 -46.8 8.1 -29.2 -20.9 213 1032 A A H > S+ 0 0 22 -6,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.854 110.5 49.5 -61.4 -37.8 6.3 -32.4 -21.9 214 1033 A E H X S+ 0 0 25 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.886 108.1 53.0 -68.5 -40.9 6.1 -31.4 -25.6 215 1034 A F H X S+ 0 0 10 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.878 106.6 51.6 -62.3 -42.2 9.9 -30.5 -25.7 216 1035 A L H < S+ 0 0 114 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.794 111.5 49.4 -65.1 -28.5 10.9 -33.9 -24.4 217 1036 A R H < S+ 0 0 146 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.886 113.8 43.8 -73.1 -42.8 8.8 -35.4 -27.1 218 1037 A M H < 0 0 57 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.573 360.0 360.0 -77.6 -10.8 10.4 -33.2 -29.7 219 1038 A M < 0 0 120 -4,-1.1 -1,-0.2 -5,-0.2 8,-0.1 -0.412 360.0 360.0 73.3 360.0 13.8 -33.9 -28.2 220 ! 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 0.0 221 1044 A V 0 0 132 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.2 23.5 -31.3 -26.3 222 1045 A P > - 0 0 85 0, 0.0 4,-2.7 0, 0.0 3,-0.3 -0.227 360.0-126.9 -60.2 140.4 22.0 -28.8 -23.8 223 1046 A A H > S+ 0 0 38 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.867 109.6 53.6 -51.1 -44.6 18.3 -28.4 -23.5 224 1047 A L H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 111.0 45.2 -63.0 -41.8 18.5 -24.6 -24.0 225 1048 A S H > S+ 0 0 49 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.908 113.9 49.8 -66.7 -44.7 20.5 -25.0 -27.2 226 1049 A R H X S+ 0 0 76 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.914 110.8 49.7 -57.9 -46.5 18.2 -27.7 -28.5 227 1050 A L H X S+ 0 0 17 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.911 109.7 51.3 -61.3 -46.0 15.1 -25.5 -27.7 228 1051 A L H X S+ 0 0 38 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.906 111.0 48.8 -53.1 -47.8 16.7 -22.5 -29.6 229 1052 A E H X S+ 0 0 99 -4,-2.2 4,-2.6 2,-0.2 6,-0.2 0.936 110.2 49.8 -59.2 -52.1 17.4 -24.8 -32.6 230 1053 A L H <>S+ 0 0 23 -4,-2.6 5,-2.3 1,-0.2 4,-0.3 0.917 114.8 45.1 -53.0 -47.0 13.8 -26.1 -32.6 231 1054 A L H ><5S+ 0 0 22 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.879 111.5 51.3 -67.0 -40.8 12.4 -22.6 -32.5 232 1055 A E H 3<5S+ 0 0 168 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.871 105.9 56.7 -62.7 -38.7 14.9 -21.3 -35.1 233 1056 A E T 3<5S- 0 0 136 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.577 124.5-106.8 -66.6 -14.0 13.8 -24.2 -37.4 234 1057 A G T < 5 + 0 0 48 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.439 68.5 151.3 97.1 1.8 10.2 -22.9 -37.0 235 1058 A Q < + 0 0 90 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.3 -0.417 19.2 175.2 -62.5 139.0 9.0 -25.6 -34.7 236 1059 A R - 0 0 55 -2,-0.1 16,-0.0 0, 0.0 -1,-0.0 -0.911 38.3 -78.6-139.4 166.7 6.2 -24.5 -32.3 237 1060 A L - 0 0 30 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.405 56.3-111.0 -62.3 142.6 3.9 -26.0 -29.7 238 1061 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 -0.399 39.4 -82.4 -78.1 156.0 1.0 -27.8 -31.2 239 1062 A A - 0 0 49 -2,-0.1 3,-0.1 1,-0.1 6,-0.1 -0.342 54.9-110.6 -50.9 126.1 -2.7 -26.6 -31.1 240 1063 A P > - 0 0 4 0, 0.0 3,-2.3 0, 0.0 -37,-0.1 -0.263 48.1 -78.4 -53.6 149.5 -4.1 -27.7 -27.7 241 1064 A P T 3 S+ 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.355 118.3 1.7 -53.2 127.9 -6.8 -30.4 -27.9 242 1065 A A T 3 S+ 0 0 109 1,-0.2 3,-0.0 -3,-0.1 -39,-0.0 0.583 92.6 159.0 66.9 14.9 -10.1 -28.8 -29.0 243 1066 A C < - 0 0 23 -3,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.452 48.4-110.2 -67.0 133.7 -8.4 -25.4 -29.3 244 1067 A P >> - 0 0 38 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.476 24.5-126.0 -61.2 138.2 -10.3 -23.0 -31.6 245 1068 A A H 3> S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.873 108.9 54.0 -53.8 -43.3 -8.3 -22.4 -34.8 246 1069 A E H 3> S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.834 106.9 51.1 -63.5 -36.1 -8.4 -18.6 -34.3 247 1070 A V H <> S+ 0 0 2 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.923 110.9 48.8 -66.0 -44.5 -6.9 -18.9 -30.8 248 1071 A H H X S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.863 107.5 55.4 -62.3 -38.5 -4.1 -21.1 -32.2 249 1072 A E H X S+ 0 0 93 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.912 106.9 50.1 -59.6 -44.1 -3.5 -18.6 -35.0 250 1073 A L H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.878 107.1 55.3 -62.6 -40.6 -3.0 -15.8 -32.3 251 1074 A M H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.954 107.8 48.5 -51.8 -53.8 -0.6 -18.1 -30.5 252 1075 A K H < S+ 0 0 84 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.809 108.9 53.2 -61.7 -32.8 1.5 -18.5 -33.6 253 1076 A L H >< S+ 0 0 86 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.890 106.6 52.2 -69.8 -39.2 1.6 -14.7 -34.2 254 1077 A C H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.794 107.2 56.0 -61.3 -29.5 2.8 -14.2 -30.7 255 1078 A W T 3< S+ 0 0 5 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.043 73.4 144.2 -95.0 25.1 5.5 -16.7 -31.5 256 1079 A A < - 0 0 14 -3,-1.4 6,-0.1 1,-0.1 5,-0.1 -0.449 55.3-129.5 -59.1 132.5 6.8 -14.8 -34.6 257 1080 A P S S+ 0 0 92 0, 0.0 -79,-0.2 0, 0.0 -1,-0.1 0.885 93.1 61.1 -58.4 -40.8 10.6 -15.3 -34.7 258 1081 A S S > S- 0 0 39 1,-0.1 3,-1.7 -81,-0.1 4,-0.4 -0.769 80.6-140.0 -91.0 130.3 11.4 -11.5 -35.0 259 1082 A P G > S+ 0 0 42 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.802 102.4 58.4 -58.3 -33.4 10.1 -9.4 -32.1 260 1083 A Q G 3 S+ 0 0 165 1,-0.2 -2,-0.0 -3,-0.0 -4,-0.0 0.686 101.6 56.2 -69.6 -19.8 9.0 -6.6 -34.4 261 1084 A D G < S+ 0 0 105 -3,-1.7 -1,-0.2 -5,-0.1 -5,-0.1 0.487 86.5 96.3 -92.0 -5.9 6.7 -9.1 -36.2 262 1085 A R S < S- 0 0 8 -3,-1.0 -8,-0.2 -4,-0.4 -9,-0.1 -0.653 83.1-111.4 -80.8 140.5 4.8 -10.0 -33.1 263 1086 A P - 0 0 27 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.319 31.8-113.3 -66.8 155.9 1.6 -8.1 -32.5 264 1087 A S > - 0 0 45 1,-0.1 4,-2.3 -73,-0.0 5,-0.1 -0.425 23.8-112.2 -79.7 164.2 1.4 -5.6 -29.6 265 1088 A F H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -146,-0.2 0.876 120.7 56.6 -62.5 -37.4 -0.9 -6.2 -26.6 266 1089 A S H 4 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 -147,-0.0 0.829 110.6 44.4 -63.2 -32.2 -3.0 -3.3 -27.8 267 1090 A A H > S+ 0 0 42 2,-0.1 4,-0.7 1,-0.1 -2,-0.2 0.852 113.2 50.5 -77.3 -38.1 -3.4 -5.1 -31.1 268 1091 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.858 98.9 68.8 -65.3 -38.6 -4.1 -8.5 -29.5 269 1092 A G H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.888 98.9 44.2 -50.8 -57.8 -6.8 -7.0 -27.1 270 1093 A P H > S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.814 113.1 54.4 -58.6 -33.0 -9.6 -6.2 -29.6 271 1094 A Q H X S+ 0 0 67 -4,-0.7 4,-2.0 -3,-0.3 -2,-0.2 0.908 108.9 46.4 -69.0 -43.4 -9.0 -9.6 -31.3 272 1095 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.861 112.0 52.1 -65.3 -37.6 -9.4 -11.5 -28.1 273 1096 A D H X S+ 0 0 75 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.877 108.5 51.1 -64.4 -40.1 -12.6 -9.5 -27.3 274 1097 A M H X S+ 0 0 129 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.911 111.7 46.6 -63.0 -44.1 -14.0 -10.3 -30.8 275 1098 A L H < S+ 0 0 38 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.865 110.9 52.6 -65.8 -38.5 -13.4 -14.0 -30.2 276 1099 A W H < S+ 0 0 113 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.849 111.6 45.9 -65.4 -37.7 -14.9 -13.8 -26.7 277 1100 A S H < 0 0 91 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.867 360.0 360.0 -71.7 -39.1 -18.0 -12.2 -28.2 278 1101 A G < 0 0 101 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.556 360.0 360.0 -75.3 360.0 -18.2 -14.8 -31.0