==== 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 4HVG . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.SHAO . 281 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 16.0 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 . 1 0.4 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 . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 31.7 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 1 1 0 1 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 3 0 0 1 1 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 1 814 A P 0 0 102 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.9 -2.9 1.7 5.7 2 815 A T + 0 0 93 1,-0.2 74,-1.8 73,-0.1 2,-0.5 0.661 360.0 55.1 -83.0 -20.1 -0.0 2.3 3.2 3 816 A I E S-a 76 0A 92 72,-0.2 2,-0.4 74,-0.0 74,-0.2 -0.958 72.4-164.9-118.7 125.6 2.2 1.5 6.2 4 817 A F E -a 77 0A 9 72,-2.1 74,-0.5 -2,-0.5 2,-0.4 -0.889 17.6-133.8-108.7 134.3 2.0 -1.7 8.2 5 818 A E E >> -a 78 0A 104 -2,-0.4 3,-1.3 1,-0.2 4,-0.9 -0.747 15.1-138.4 -84.7 131.2 3.7 -2.2 11.5 6 819 A E G >4 S+ 0 0 97 72,-0.5 3,-1.0 -2,-0.4 -1,-0.2 0.896 100.3 63.6 -59.9 -39.4 5.5 -5.5 11.6 7 820 A R G 34 S+ 0 0 178 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.767 104.8 48.7 -56.3 -24.8 4.3 -6.3 15.1 8 821 A H G <4 S+ 0 0 28 -3,-1.3 21,-3.0 20,-0.1 2,-0.7 0.664 87.4 91.3 -90.3 -22.6 0.7 -6.4 13.8 9 822 A L E << -B 28 0A 21 -3,-1.0 2,-0.5 -4,-0.9 19,-0.2 -0.681 67.2-159.6 -72.2 116.1 1.4 -8.6 10.8 10 823 A K E -B 27 0A 89 17,-3.9 17,-3.1 -2,-0.7 2,-0.1 -0.878 13.7-120.3-111.4 128.7 0.7 -12.1 12.1 11 824 A Y E +B 26 0A 132 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.324 37.5 158.8 -68.8 137.4 2.0 -15.2 10.3 12 825 A I E - 0 0 73 13,-2.5 2,-0.3 1,-0.3 14,-0.2 0.695 55.6 -43.1-121.7 -45.4 -0.2 -18.0 9.0 13 826 A S E -B 25 0A 44 12,-1.4 12,-1.7 0, 0.0 2,-0.3 -0.987 58.8 -75.8-171.2 175.0 1.5 -20.1 6.2 14 827 A Q E +B 24 0A 78 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.716 33.2 172.4 -87.3 142.7 3.7 -20.3 3.2 15 828 A L E - 0 0 76 8,-2.1 2,-0.3 1,-0.4 9,-0.2 0.608 62.2 -19.6-111.4 -32.1 2.2 -19.3 -0.2 16 829 A G E -B 23 0A 30 7,-1.7 7,-2.1 2,-0.0 -1,-0.4 -0.981 43.8-140.3-171.8 162.1 5.3 -19.3 -2.4 17 830 A K E +B 22 0A 181 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.842 23.1 171.7-125.0 162.7 9.0 -19.2 -2.9 18 831 A G E > -B 21 0A 31 3,-0.8 3,-3.5 -2,-0.3 2,-1.2 -0.629 57.2 -50.4 175.3 115.8 11.0 -17.4 -5.7 19 832 A N T 3 S- 0 0 95 1,-0.3 -1,-0.0 -2,-0.2 3,-0.0 -0.360 126.2 -22.4 43.9 -84.2 14.6 -16.7 -6.4 20 833 A F T 3 S+ 0 0 117 -2,-1.2 25,-4.0 31,-0.1 2,-0.4 0.260 123.7 85.0-130.3 10.1 15.5 -15.3 -3.0 21 834 A G E < -BC 18 44A 3 -3,-3.5 -3,-0.8 23,-0.3 2,-0.3 -0.910 53.1-158.9-123.1 139.7 12.1 -14.3 -1.7 22 835 A S E -BC 17 43A 2 21,-2.1 21,-2.2 -2,-0.4 2,-0.4 -0.784 9.2-149.0-105.2 157.4 9.1 -15.9 -0.0 23 836 A V E -BC 16 42A 34 -7,-2.1 -8,-2.1 -2,-0.3 -7,-1.7 -0.990 21.3-167.0-119.9 133.0 5.5 -14.7 0.0 24 837 A E E -BC 14 41A 39 17,-3.0 17,-3.1 -2,-0.4 2,-0.6 -0.901 25.4-120.9-122.0 149.1 3.5 -15.5 3.2 25 838 A L E +BC 13 40A 13 -12,-1.7 -13,-2.5 -2,-0.3 -12,-1.4 -0.819 44.2 172.4 -78.2 124.0 -0.1 -15.5 4.2 26 839 A C E -BC 11 39A 5 13,-2.8 13,-2.6 -2,-0.6 2,-0.5 -0.950 32.2-132.9-128.2 152.7 -0.4 -13.1 7.1 27 840 A R E -BC 10 38A 65 -17,-3.1 -17,-3.9 -2,-0.3 2,-1.1 -0.922 18.3-139.8 -95.5 130.2 -3.3 -11.7 9.1 28 841 A Y E +B 9 0A 37 9,-3.1 9,-0.4 -2,-0.5 -19,-0.2 -0.778 34.8 171.8 -86.2 99.6 -2.9 -7.9 9.7 29 842 A D + 0 0 3 -21,-3.0 3,-0.4 -2,-1.1 5,-0.1 -0.505 21.7 161.0-120.7 70.3 -4.2 -7.9 13.3 30 843 A P S S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.754 86.9 47.4 -56.0 -27.4 -3.8 -4.5 15.2 31 844 A L S S- 0 0 133 -23,-0.1 -2,-0.1 0, 0.0 -23,-0.0 0.851 100.4-137.2 -81.9 -33.2 -6.4 -5.7 17.7 32 845 A G S S+ 0 0 44 -3,-0.4 -3,-0.1 -24,-0.1 -24,-0.0 0.707 73.5 109.3 84.3 23.7 -4.8 -9.1 18.2 33 846 A D S S- 0 0 80 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.132 91.7-107.3-120.0 16.5 -8.2 -10.9 18.1 34 847 A N S S+ 0 0 120 -5,-0.1 -6,-0.0 1,-0.1 -5,-0.0 0.601 93.8 108.7 63.3 13.0 -8.1 -12.8 14.8 35 848 A T + 0 0 98 -8,-0.0 2,-0.1 2,-0.0 -1,-0.1 0.409 50.2 109.0 -96.1 3.5 -10.6 -10.3 13.2 36 849 A G S S- 0 0 15 1,-0.1 -7,-0.2 -9,-0.0 0, 0.0 -0.379 74.5 -91.7 -80.7 161.0 -8.1 -8.6 11.0 37 850 A A - 0 0 70 -9,-0.4 -9,-3.1 -10,-0.1 2,-0.3 -0.186 37.0-111.1 -66.8 154.5 -7.8 -8.8 7.2 38 851 A L E +C 27 0A 70 -11,-0.2 50,-0.5 50,-0.1 2,-0.3 -0.659 37.3 178.3 -89.3 145.2 -5.7 -11.3 5.3 39 852 A V E -C 26 0A 6 -13,-2.6 -13,-2.8 -2,-0.3 2,-0.6 -0.979 30.2-128.3-147.2 152.0 -2.7 -10.2 3.3 40 853 A A E -CD 25 86A 8 46,-2.4 46,-2.6 -2,-0.3 2,-0.5 -0.946 31.0-164.4-106.9 118.0 0.0 -11.7 1.1 41 854 A V E -CD 24 85A 1 -17,-3.1 -17,-3.0 -2,-0.6 2,-0.5 -0.930 5.1-160.1-116.1 119.1 3.4 -10.5 2.4 42 855 A K E +CD 23 84A 10 42,-2.9 42,-3.1 -2,-0.5 2,-0.3 -0.852 15.6 168.5 -98.3 127.2 6.6 -10.8 0.4 43 856 A Q E -CD 22 83A 25 -21,-2.2 -21,-2.1 -2,-0.5 2,-0.3 -0.943 34.0-117.1-127.4 156.1 10.0 -10.6 2.0 44 857 A L E -C 21 0A 37 38,-0.5 -23,-0.3 -2,-0.3 -25,-0.1 -0.632 12.6-156.9 -79.3 146.0 13.5 -11.4 0.7 45 858 A Q S S+ 0 0 118 -25,-4.0 2,-0.3 -2,-0.3 -24,-0.1 0.161 75.6 66.3-111.6 14.9 15.3 -14.2 2.5 46 859 A H - 0 0 73 -26,-0.3 -1,-0.1 2,-0.1 -26,-0.1 -0.989 64.3-156.4-138.7 133.7 18.8 -12.9 1.5 47 860 A S + 0 0 122 -2,-0.3 -1,-0.0 4,-0.1 -3,-0.0 -0.098 49.0 117.7-106.2 32.7 20.4 -9.7 2.7 48 861 A G S S- 0 0 19 1,-0.0 4,-0.5 0, 0.0 -2,-0.1 -0.044 70.7 -97.2 -85.5-166.5 23.0 -8.8 -0.0 49 862 A P S >> S+ 0 0 90 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.997 107.2 38.1 -80.9 -65.5 23.2 -5.7 -2.3 50 863 A D H 3> S+ 0 0 88 1,-0.3 4,-1.1 2,-0.2 5,-0.0 0.654 116.0 50.9 -66.8 -24.7 21.7 -6.4 -5.8 51 864 A Q H 3> S+ 0 0 46 2,-0.2 4,-1.0 3,-0.1 -1,-0.3 0.771 111.4 49.6 -86.7 -29.5 18.8 -8.6 -4.6 52 865 A Q H <> S+ 0 0 69 -3,-0.6 4,-1.9 -4,-0.5 -2,-0.2 0.848 112.3 46.4 -74.3 -39.2 17.8 -5.9 -2.1 53 866 A R H X S+ 0 0 101 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.850 112.3 52.3 -68.7 -36.3 17.9 -3.1 -4.6 54 867 A D H X S+ 0 0 49 -4,-1.1 4,-2.4 -5,-0.2 -2,-0.2 0.827 107.9 50.9 -69.3 -32.9 16.0 -5.3 -7.0 55 868 A F H X S+ 0 0 5 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.925 107.1 52.6 -73.8 -44.8 13.3 -5.9 -4.4 56 869 A Q H X S+ 0 0 114 -4,-1.9 4,-2.5 2,-0.2 3,-0.2 0.905 110.2 50.5 -52.2 -45.5 13.0 -2.2 -3.7 57 870 A R H X S+ 0 0 131 -4,-2.0 4,-3.6 1,-0.2 5,-0.2 0.961 104.9 54.8 -58.2 -56.2 12.4 -1.7 -7.5 58 871 A E H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.798 110.4 48.6 -44.0 -37.9 9.8 -4.5 -7.7 59 872 A I H X S+ 0 0 11 -4,-1.6 4,-3.0 -3,-0.2 5,-0.2 0.943 111.1 48.2 -69.5 -52.2 8.0 -2.5 -4.9 60 873 A Q H X S+ 0 0 116 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.933 115.0 47.5 -49.7 -52.7 8.4 0.9 -6.8 61 874 A I H < S+ 0 0 13 -4,-3.6 3,-0.5 2,-0.2 -2,-0.2 0.967 115.4 41.7 -53.5 -61.2 7.0 -0.9 -10.0 62 875 A L H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 11,-0.4 0.846 110.8 57.3 -63.1 -33.6 4.0 -2.6 -8.3 63 876 A K H 3< S+ 0 0 103 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.896 107.4 49.3 -56.6 -41.4 3.1 0.5 -6.2 64 877 A A T 3< S+ 0 0 47 -4,-1.6 2,-0.6 -3,-0.5 -1,-0.2 0.163 92.9 95.7 -89.7 14.6 2.8 2.5 -9.5 65 878 A L < + 0 0 11 -3,-1.3 2,-0.6 6,-0.1 8,-0.3 -0.926 47.2 179.2-113.3 115.3 0.6 -0.0 -11.2 66 879 A H + 0 0 149 -2,-0.6 2,-0.3 6,-0.1 6,-0.1 -0.818 26.7 125.6-120.7 96.7 -3.2 0.4 -11.1 67 880 A S > - 0 0 24 -2,-0.6 3,-1.9 3,-0.3 -2,-0.0 -0.995 60.6-131.5-152.2 139.8 -5.2 -2.2 -13.0 68 881 A D T 3 S+ 0 0 101 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.749 114.2 49.6 -56.0 -21.8 -8.1 -4.7 -12.3 69 882 A F T 3 S+ 0 0 48 79,-0.1 80,-2.7 2,-0.1 2,-0.4 0.151 97.4 80.9-112.0 14.2 -5.9 -7.3 -14.0 70 883 A I B < S-f 149 0B 2 -3,-1.9 -3,-0.3 78,-0.3 80,-0.2 -0.982 92.2-102.3-117.9 136.5 -2.7 -6.6 -11.9 71 884 A V - 0 0 6 78,-2.7 2,-0.5 -2,-0.4 -4,-0.1 -0.190 49.9-109.6 -49.5 145.4 -2.2 -8.0 -8.4 72 885 A K - 0 0 86 -4,-0.1 15,-2.6 -6,-0.1 2,-0.3 -0.737 18.1-141.3 -98.7 128.8 -2.9 -5.1 -6.0 73 886 A Y E + E 0 86A 37 -2,-0.5 13,-0.2 -11,-0.4 3,-0.1 -0.634 21.0 174.4 -75.4 134.7 -0.3 -3.4 -3.9 74 887 A R E - 0 0 107 11,-2.3 2,-0.3 1,-0.4 12,-0.2 0.669 52.7 -72.9-113.1 -28.9 -1.5 -2.5 -0.3 75 888 A G E - E 0 85A 0 10,-1.7 10,-2.7 2,-0.0 -1,-0.4 -0.975 40.4 -96.9 165.4-172.4 1.6 -1.1 1.3 76 889 A V E -aE 3 84A 13 -74,-1.8 -72,-2.1 -2,-0.3 2,-0.3 -0.882 21.8-149.3-125.2 166.7 5.1 -1.9 2.8 77 890 A S E -aE 4 83A 0 6,-1.9 6,-2.5 -2,-0.3 2,-0.3 -0.974 11.6-146.3-132.7 157.7 6.4 -2.4 6.3 78 891 A Y E -a 5 0A 146 -74,-0.5 -72,-0.5 -2,-0.3 -2,-0.0 -0.821 21.7-179.2-120.6 153.8 9.8 -1.7 7.8 79 892 A G 0 0 52 -2,-0.3 -1,-0.1 -74,-0.1 -73,-0.0 0.716 360.0 360.0-109.5 -68.2 12.2 -3.2 10.5 80 893 A P 0 0 146 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.005 360.0 360.0-120.9 360.0 15.2 -0.8 10.5 81 ! 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 82 898 A L 0 0 89 0, 0.0 -38,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -41.9 11.8 -4.5 4.0 83 899 A R E -DE 43 77A 16 -6,-2.5 -6,-1.9 -40,-0.1 2,-0.5 -0.978 360.0-146.7-126.2 145.3 8.4 -6.3 3.5 84 900 A L E -DE 42 76A 0 -42,-3.1 -42,-2.9 -2,-0.4 2,-0.4 -0.923 13.1-156.7-110.4 127.4 5.8 -5.9 0.6 85 901 A V E +DE 41 75A 0 -10,-2.7 -11,-2.3 -2,-0.5 -10,-1.7 -0.878 18.0 172.9-113.9 132.6 2.2 -6.3 1.5 86 902 A M E -DE 40 73A 20 -46,-2.6 -46,-2.4 -2,-0.4 -13,-0.2 -0.875 39.5 -83.8-135.1 162.1 -0.3 -7.2 -1.2 87 903 A E - 0 0 14 -15,-2.6 2,-0.4 -2,-0.3 -48,-0.1 -0.328 47.5-127.7 -62.4 152.7 -4.0 -8.2 -1.6 88 904 A Y - 0 0 68 -50,-0.5 -50,-0.1 -49,-0.1 -1,-0.1 -0.922 15.6-161.4-112.1 131.9 -4.6 -11.9 -0.9 89 905 A L > - 0 0 8 -2,-0.4 3,-2.1 1,-0.1 52,-0.2 -0.884 1.6-164.5-115.3 99.5 -6.4 -14.1 -3.4 90 906 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.784 85.6 63.2 -59.7 -29.0 -7.7 -17.2 -1.7 91 907 A S T 3 S- 0 0 62 50,-0.5 6,-0.1 1,-0.2 51,-0.1 0.649 91.9-176.9 -72.8 -16.4 -8.3 -19.1 -4.9 92 908 A G < + 0 0 21 -3,-2.1 49,-2.0 49,-0.3 -1,-0.2 -0.185 33.6 26.9 71.3-144.2 -4.7 -18.9 -5.6 93 909 A C B > -G 140 0B 26 47,-0.2 4,-2.3 -3,-0.1 47,-0.2 -0.304 53.9-147.7 -70.3 137.9 -2.7 -20.0 -8.5 94 910 A L H > S+ 0 0 0 45,-2.4 4,-3.1 42,-0.6 5,-0.3 0.862 98.2 60.3 -68.7 -42.1 -4.3 -20.2 -12.0 95 911 A R H > S+ 0 0 93 41,-0.9 4,-1.0 44,-0.3 -1,-0.2 0.908 115.3 36.4 -50.9 -45.4 -2.1 -23.1 -13.1 96 912 A D H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 114.1 55.1 -75.0 -45.9 -3.6 -25.1 -10.2 97 913 A F H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.864 106.7 52.4 -57.6 -38.8 -7.1 -23.6 -10.4 98 914 A L H X S+ 0 0 0 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.869 108.7 50.3 -63.3 -40.0 -7.3 -24.7 -14.1 99 915 A Q H < S+ 0 0 83 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.856 115.4 43.2 -68.1 -35.1 -6.3 -28.2 -13.1 100 916 A R H < S+ 0 0 186 -4,-2.2 3,-0.3 1,-0.1 -2,-0.2 0.904 120.8 35.6 -76.1 -44.5 -9.1 -28.3 -10.4 101 917 A H H >< S+ 0 0 52 -4,-2.5 3,-3.2 1,-0.2 4,-0.2 0.393 75.3 124.2-105.1 5.3 -12.0 -26.7 -12.2 102 918 A R G >< S+ 0 0 110 -4,-1.0 3,-1.7 1,-0.3 -1,-0.2 0.742 72.1 54.2 -17.5 -60.4 -11.4 -28.1 -15.7 103 919 A A G 3 S+ 0 0 109 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.544 107.7 52.6 -70.1 -7.0 -14.9 -29.7 -16.0 104 920 A R G < S+ 0 0 178 -3,-3.2 2,-0.5 1,-0.1 -1,-0.3 0.252 96.0 79.6-106.9 4.5 -16.5 -26.3 -15.2 105 921 A L < - 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0 0 38 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.868 60.4 -71.5 43.8 38.8 -5.9 -26.5 -18.7 208 1024 A C T 3 S+ 0 0 170 1,-0.2 3,-1.7 2,-0.2 6,-0.3 0.920 94.2 61.4 -68.7 -43.7 0.9 -32.0 -16.7 211 1027 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.2 5,-0.1 -2,-0.1 0.614 117.9 28.7 -59.8 -21.6 0.9 -34.8 -19.4 212 1028 A C G < S+ 0 0 21 -3,-0.6 -1,-0.3 -6,-0.1 -2,-0.2 0.037 91.4 139.6-129.1 23.6 0.9 -32.3 -22.3 213 1029 A S S <> S- 0 0 17 -3,-1.7 4,-2.8 -5,-0.1 5,-0.1 -0.036 70.9 -98.8 -52.0 163.6 2.6 -29.3 -20.6 214 1030 A P H > S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.965 127.1 45.8 -50.7 -57.1 5.2 -27.2 -22.4 215 1031 A S H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.894 111.2 52.0 -50.2 -48.6 8.0 -29.2 -20.7 216 1032 A A H > S+ 0 0 17 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.925 110.1 50.0 -62.7 -41.3 6.4 -32.5 -21.5 217 1033 A E H X S+ 0 0 30 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.928 108.8 47.4 -63.7 -52.9 6.0 -31.6 -25.2 218 1034 A F H < S+ 0 0 15 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.901 111.1 55.9 -52.1 -44.4 9.6 -30.4 -25.9 219 1035 A L H >< S+ 0 0 115 -4,-2.0 3,-2.0 -5,-0.3 -2,-0.2 0.969 110.2 42.9 -47.6 -59.3 10.6 -33.6 -24.2 220 1036 A R H 3< S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.910 111.5 54.4 -52.3 -48.0 8.5 -35.6 -26.7 221 1037 A M T 3< 0 0 47 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.353 360.0 360.0 -71.8 8.0 9.8 -33.4 -29.5 222 1038 A M < 0 0 139 -3,-2.0 -1,-0.2 -5,-0.2 11,-0.1 -0.156 360.0 360.0 56.2 360.0 13.3 -34.5 -28.2 223 ! 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 0.0 224 1044 A V 0 0 128 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.7 23.3 -32.1 -26.0 225 1045 A P >> - 0 0 86 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.231 360.0-128.8 -56.0 131.3 22.2 -29.3 -23.6 226 1046 A A H 3> S+ 0 0 44 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.842 108.3 53.5 -41.6 -50.3 18.4 -28.9 -23.3 227 1047 A L H 3> S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.876 109.2 49.2 -55.2 -44.5 18.6 -25.1 -23.9 228 1048 A S H <> S+ 0 0 52 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.924 111.7 47.8 -63.4 -48.7 20.5 -25.7 -27.1 229 1049 A R H X S+ 0 0 88 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.861 110.1 52.1 -59.5 -41.5 18.1 -28.3 -28.4 230 1050 A L H X S+ 0 0 12 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.900 110.5 50.0 -64.6 -38.1 15.1 -26.1 -27.6 231 1051 A L H X S+ 0 0 36 -4,-1.8 4,-1.0 -5,-0.2 -2,-0.2 0.883 109.7 49.5 -64.3 -44.0 16.9 -23.3 -29.6 232 1052 A E H X S+ 0 0 101 -4,-2.2 4,-2.6 2,-0.2 3,-0.5 0.947 113.1 47.6 -58.4 -52.7 17.5 -25.6 -32.6 233 1053 A L H X>S+ 0 0 21 -4,-2.6 5,-2.3 1,-0.2 4,-1.1 0.948 111.8 47.9 -50.5 -60.1 13.8 -26.7 -32.6 234 1054 A L H <5S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.723 113.3 50.2 -58.6 -20.8 12.4 -23.2 -32.4 235 1055 A E H <5S+ 0 0 147 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.860 106.8 52.4 -85.7 -41.0 14.9 -22.2 -35.2 236 1056 A E H <5S- 0 0 133 -4,-2.6 -2,-0.2 -3,-0.1 -1,-0.2 0.658 124.9-108.6 -60.4 -20.3 13.7 -25.1 -37.4 237 1057 A G T <5 + 0 0 45 -4,-1.1 -3,-0.2 1,-0.3 2,-0.2 0.635 64.6 154.2 92.3 17.8 10.2 -23.8 -36.8 238 1058 A Q < + 0 0 87 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.556 18.4 176.2 -70.0 142.7 8.9 -26.5 -34.5 239 1059 A R - 0 0 50 -2,-0.2 16,-0.0 -21,-0.0 -5,-0.0 -0.919 38.7 -79.5-142.2 163.8 6.2 -25.2 -32.2 240 1060 A L - 0 0 26 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.393 56.2-117.7 -61.6 144.0 3.8 -26.6 -29.5 241 1061 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 -0.347 39.0 -74.2 -81.4 170.2 0.8 -28.3 -31.2 242 1062 A A - 0 0 44 1,-0.1 3,-0.1 -2,-0.1 6,-0.1 -0.431 58.7-112.8 -53.2 124.2 -2.9 -27.3 -31.0 243 1063 A P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 -37,-0.1 -0.266 49.2 -78.4 -52.4 155.2 -4.0 -28.3 -27.5 244 1064 A P T 3 S+ 0 0 93 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.358 119.0 4.4 -56.5 136.3 -6.5 -31.1 -27.7 245 1065 A A T 3 S+ 0 0 110 1,-0.2 -39,-0.1 -3,-0.1 3,-0.0 0.335 93.5 152.1 69.6 -9.3 -10.0 -29.7 -28.6 246 1066 A C < - 0 0 19 -3,-1.6 -1,-0.2 -41,-0.1 2,-0.2 -0.285 51.7-116.8 -47.2 128.8 -8.4 -26.3 -29.0 247 1067 A P >> - 0 0 41 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.564 23.3-125.1 -69.2 141.7 -10.3 -24.2 -31.5 248 1068 A A H >> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 3,-1.1 0.908 103.6 63.8 -56.7 -54.8 -8.1 -23.4 -34.5 249 1069 A E H 3> S+ 0 0 111 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.776 105.5 49.2 -39.0 -37.6 -8.4 -19.6 -34.4 250 1070 A V H <> S+ 0 0 1 -3,-0.9 4,-2.1 2,-0.2 -1,-0.3 0.858 105.4 54.7 -75.1 -37.0 -6.7 -19.7 -31.0 251 1071 A H H < S+ 0 0 90 -4,-2.5 3,-1.5 1,-0.2 -1,-0.3 0.846 104.9 54.0 -68.3 -37.7 1.5 -15.7 -34.3 257 1077 A C H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.704 105.7 58.1 -65.2 -21.8 2.8 -14.9 -30.8 258 1078 A W T 3< S+ 0 0 6 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.104 72.2 146.1 -99.6 17.6 5.6 -17.4 -31.8 259 1079 A A < - 0 0 14 -3,-1.5 6,-0.2 1,-0.1 5,-0.1 -0.361 57.8-120.9 -50.9 128.0 6.7 -15.4 -34.9 260 1080 A P S S+ 0 0 97 0, 0.0 -79,-0.2 0, 0.0 -1,-0.1 0.812 94.5 51.4 -45.8 -45.3 10.6 -16.0 -35.0 261 1081 A S S >> S- 0 0 41 1,-0.1 3,-2.0 -81,-0.1 4,-0.7 -0.805 84.3-128.0-101.9 139.7 11.6 -12.3 -34.8 262 1082 A P G >4 S+ 0 0 39 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.880 105.7 60.9 -52.0 -41.1 10.2 -10.0 -32.1 263 1083 A Q G 34 S+ 0 0 169 1,-0.3 -4,-0.0 -3,-0.0 0, 0.0 0.551 99.1 54.5 -71.0 -9.0 9.0 -7.4 -34.6 264 1084 A D G <4 S+ 0 0 100 -3,-2.0 -1,-0.3 -5,-0.1 -6,-0.1 0.568 86.5 101.0 -94.0 -12.1 6.6 -9.8 -36.4 265 1085 A R S << S- 0 0 12 -3,-1.5 -8,-0.2 -4,-0.7 -70,-0.0 -0.505 80.0-116.5 -69.1 136.4 4.8 -10.6 -33.1 266 1086 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.344 29.5-110.1 -73.4 158.9 1.6 -8.8 -32.7 267 1087 A S > - 0 0 55 1,-0.1 4,-3.1 -73,-0.0 3,-0.3 -0.364 23.0-113.0 -79.9 163.2 1.2 -6.3 -29.8 268 1088 A F H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -146,-0.2 0.906 120.9 56.1 -60.4 -37.1 -1.1 -6.9 -26.8 269 1089 A S H 4 S+ 0 0 65 2,-0.2 -1,-0.2 1,-0.2 -150,-0.0 0.728 109.8 45.4 -72.6 -21.7 -3.2 -4.0 -28.1 270 1090 A A H > S+ 0 0 43 -3,-0.3 4,-1.0 2,-0.1 -2,-0.2 0.896 114.2 49.2 -74.8 -49.7 -3.6 -5.9 -31.4 271 1091 A L H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.833 97.9 70.1 -53.8 -39.3 -4.3 -9.2 -29.7 272 1092 A G H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.866 99.8 42.5 -56.2 -50.0 -6.9 -7.8 -27.3 273 1093 A P H > S+ 0 0 65 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.867 112.7 54.4 -62.4 -41.3 -9.8 -7.1 -29.9 274 1094 A Q H X S+ 0 0 78 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.912 110.7 45.1 -60.4 -44.8 -9.2 -10.5 -31.6 275 1095 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.883 112.1 53.5 -65.2 -39.2 -9.5 -12.3 -28.4 276 1096 A D H X S+ 0 0 73 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.916 109.3 47.6 -61.2 -46.0 -12.6 -10.2 -27.6 277 1097 A M H < S+ 0 0 134 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.869 112.0 50.7 -62.5 -35.8 -14.1 -11.2 -31.0 278 1098 A L H >X S+ 0 0 29 -4,-2.1 4,-1.9 1,-0.2 3,-1.8 0.933 107.4 53.2 -66.2 -45.0 -13.3 -14.8 -30.3 279 1099 A W H 3X S+ 0 0 100 -4,-2.9 4,-0.8 1,-0.3 -1,-0.2 0.784 111.8 44.2 -59.7 -35.2 -14.9 -14.6 -26.8 280 1100 A S H 3< S+ 0 0 85 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.299 110.5 63.2 -88.8 6.7 -18.2 -13.3 -28.4 281 1101 A G H <4 S+ 0 0 55 -3,-1.8 -2,-0.2 2,-0.2 -3,-0.1 0.888 100.7 42.6 -95.0 -58.6 -17.7 -16.0 -31.1 282 1102 A S H < 0 0 60 -4,-1.9 -2,-0.1 1,-0.2 -3,-0.1 0.941 360.0 360.0 -47.4 -53.4 -18.0 -19.2 -29.1 283 1103 A R < 0 0 224 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 -0.770 360.0 360.0 158.3 360.0 -20.8 -17.3 -27.5