==== 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 4HVI . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.SHAO . 274 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 17.2 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 32.5 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 2 0 0 1 0 1 1 0 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 0 125 0, 0.0 73,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 2.9 0.1 2.0 3.4 2 816 A I B -a 74 0A 117 71,-0.2 2,-0.5 73,-0.0 73,-0.2 -0.992 360.0-164.1-121.5 125.0 2.5 1.4 6.3 3 817 A F - 0 0 31 71,-3.0 73,-0.3 -2,-0.5 2,-0.3 -0.920 16.9-132.3-112.1 124.3 2.1 -1.8 8.3 4 818 A E > - 0 0 101 -2,-0.5 3,-1.2 1,-0.1 4,-0.5 -0.599 17.4-134.3 -72.0 134.9 3.7 -2.4 11.7 5 819 A E G > S+ 0 0 117 71,-0.4 3,-1.1 -2,-0.3 -1,-0.1 0.832 101.2 59.9 -61.6 -35.2 5.5 -5.8 11.8 6 820 A R G 3 S+ 0 0 159 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.695 102.8 52.0 -69.5 -21.0 4.1 -6.7 15.1 7 821 A H G < S+ 0 0 27 -3,-1.2 21,-3.6 20,-0.1 2,-0.7 0.526 90.8 89.9 -89.0 -11.3 0.5 -6.5 13.8 8 822 A L E < -B 27 0A 22 -3,-1.1 2,-0.6 -4,-0.5 19,-0.2 -0.823 67.0-163.3 -91.3 114.6 1.3 -8.8 10.9 9 823 A K E -B 26 0A 87 17,-2.8 17,-2.4 -2,-0.7 -3,-0.1 -0.890 14.5-125.6-116.4 115.6 0.7 -12.3 12.1 10 824 A Y E +B 25 0A 131 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.235 35.7 159.7 -57.8 137.6 2.1 -15.3 10.3 11 825 A I E - 0 0 73 13,-2.2 2,-0.3 1,-0.4 14,-0.2 0.649 57.2 -37.8-121.2 -55.9 -0.3 -18.1 9.1 12 826 A S E -B 24 0A 45 12,-1.3 12,-2.3 0, 0.0 2,-0.5 -0.967 59.3 -83.9-164.2 172.0 1.3 -20.2 6.3 13 827 A Q E +B 23 0A 78 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.812 29.9 179.7 -92.8 129.5 3.5 -20.2 3.3 14 828 A L E - 0 0 74 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.792 65.9 -9.5 -90.5 -39.7 1.8 -19.4 -0.1 15 829 A G E -B 22 0A 32 7,-2.0 7,-2.1 2,-0.0 2,-0.4 -0.995 48.5-152.6-160.1 155.6 4.9 -19.7 -2.3 16 830 A K E +B 21 0A 182 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.980 29.7 145.3-127.3 141.8 8.7 -20.0 -2.6 17 831 A G E > -B 20 0A 41 3,-2.0 3,-1.4 -2,-0.4 -2,-0.0 -0.669 57.3 -27.5 176.8 128.4 10.8 -18.8 -5.5 18 832 A N T 3 S- 0 0 86 1,-0.2 3,-0.0 -2,-0.2 150,-0.0 0.828 122.2 -27.5 21.4 94.3 14.2 -17.4 -6.1 19 833 A F T 3 S+ 0 0 128 24,-0.1 25,-2.4 1,-0.1 2,-0.3 0.323 125.4 73.0 70.8 -5.0 15.4 -15.5 -3.0 20 834 A G E < -BC 17 43A 4 -3,-1.4 -3,-2.0 23,-0.3 2,-0.3 -0.958 55.4-157.6-140.6 157.6 11.9 -14.7 -1.8 21 835 A S E -BC 16 42A 2 21,-2.1 21,-1.9 -2,-0.3 2,-0.5 -0.942 12.2-142.9-126.9 153.6 8.7 -16.1 -0.3 22 836 A V E -BC 15 41A 39 -7,-2.1 -8,-2.6 -2,-0.3 -7,-2.0 -0.982 25.6-170.4-112.3 131.8 5.1 -15.0 -0.2 23 837 A E E -BC 13 40A 40 17,-2.5 17,-2.8 -2,-0.5 2,-0.6 -0.857 25.0-124.6-119.5 149.1 3.2 -15.7 3.1 24 838 A L E +BC 12 39A 15 -12,-2.3 -13,-2.2 -2,-0.3 -12,-1.3 -0.870 42.0 167.6 -88.6 125.5 -0.3 -15.5 4.3 25 839 A C E -BC 10 38A 5 13,-2.4 13,-2.2 -2,-0.6 2,-0.5 -0.881 33.6-129.5-127.1 161.8 -0.6 -13.2 7.3 26 840 A R E -BC 9 37A 60 -17,-2.4 -17,-2.8 -2,-0.3 2,-1.0 -0.979 16.2-140.0-107.9 128.2 -3.4 -11.6 9.2 27 841 A Y E +BC 8 36A 64 9,-2.9 9,-0.6 -2,-0.5 -19,-0.2 -0.811 37.4 168.9 -81.2 107.3 -3.0 -7.9 9.7 28 842 A D > + 0 0 3 -21,-3.6 3,-1.4 -2,-1.0 5,-0.1 -0.602 21.4 162.6-132.9 70.8 -4.4 -7.9 13.2 29 843 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.802 82.8 55.2 -60.1 -28.3 -3.9 -4.7 15.2 30 844 A L T 3 S- 0 0 134 -23,-0.1 -2,-0.0 1,-0.0 -23,-0.0 0.655 99.7-137.4 -79.8 -14.7 -6.6 -5.8 17.8 31 845 A G S < S+ 0 0 46 -3,-1.4 -3,-0.0 -24,-0.1 -1,-0.0 0.710 74.6 106.5 67.4 25.8 -4.7 -9.1 18.4 32 846 A D S S- 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.286 93.2-103.6-122.8 8.3 -8.0 -11.0 18.4 33 847 A N S S+ 0 0 128 -5,-0.1 -5,-0.0 -7,-0.1 -6,-0.0 0.737 93.9 104.8 73.8 25.1 -8.0 -13.0 15.1 34 848 A T + 0 0 97 2,-0.1 -6,-0.1 -8,-0.0 -7,-0.1 0.481 48.9 110.9-114.3 -3.7 -10.5 -10.6 13.3 35 849 A G S S- 0 0 16 1,-0.1 -7,-0.2 -9,-0.1 2,-0.2 -0.099 74.0 -88.0 -70.5 167.8 -8.2 -8.7 11.0 36 850 A A E -C 27 0A 68 -9,-0.6 -9,-2.9 -10,-0.1 2,-0.3 -0.458 38.9-116.3 -76.5 145.3 -8.0 -8.9 7.3 37 851 A L E +C 26 0A 66 -11,-0.2 47,-0.5 -2,-0.2 2,-0.3 -0.614 36.4 178.0 -77.7 139.0 -5.8 -11.4 5.5 38 852 A V E -CD 25 83A 11 -13,-2.2 -13,-2.4 -2,-0.3 2,-0.5 -0.957 29.4-121.7-137.9 155.1 -3.0 -10.1 3.3 39 853 A A E -CD 24 82A 8 43,-2.5 43,-2.8 -2,-0.3 2,-0.5 -0.868 29.8-159.7 -97.0 132.2 -0.2 -11.6 1.2 40 854 A V E -CD 23 81A 1 -17,-2.8 -17,-2.5 -2,-0.5 2,-0.4 -0.954 5.2-162.1-123.6 119.8 3.3 -10.6 2.3 41 855 A K E +CD 22 80A 22 39,-2.8 39,-3.2 -2,-0.5 2,-0.3 -0.812 18.5 160.9 -97.4 137.6 6.4 -10.8 0.2 42 856 A Q E -CD 21 79A 21 -21,-1.9 -21,-2.1 -2,-0.4 2,-0.2 -0.971 36.0-112.6-145.4 163.6 9.9 -10.7 1.7 43 857 A L E C 20 0A 36 35,-0.6 -23,-0.3 -2,-0.3 -24,-0.1 -0.490 360.0 360.0 -85.8 163.9 13.4 -11.6 0.7 44 858 A Q 0 0 143 -25,-2.4 -1,-0.1 -2,-0.2 -24,-0.0 -0.350 360.0 360.0-120.0 360.0 15.3 -14.4 2.5 45 ! 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 46 861 A G > 0 0 60 0, 0.0 4,-1.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 147.3 22.3 -10.3 -0.6 47 862 A P H > + 0 0 116 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.823 360.0 42.5 -64.5 -34.8 23.1 -6.6 -1.3 48 863 A D H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.796 106.8 57.2 -87.1 -33.3 21.7 -6.7 -4.9 49 864 A Q H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.854 105.6 54.4 -64.3 -35.6 18.5 -8.7 -4.3 50 865 A Q H X S+ 0 0 72 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.887 108.7 47.9 -64.4 -40.3 17.6 -6.0 -1.7 51 866 A R H X S+ 0 0 104 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.907 112.7 48.0 -65.9 -44.5 18.0 -3.3 -4.3 52 867 A D H X S+ 0 0 54 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.879 110.0 53.5 -62.2 -38.9 15.9 -5.3 -6.8 53 868 A F H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.903 106.4 51.0 -64.0 -44.8 13.3 -5.8 -4.1 54 869 A Q H X S+ 0 0 124 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.863 112.2 48.7 -56.6 -39.1 13.1 -2.1 -3.5 55 870 A R H X S+ 0 0 153 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.892 107.3 54.1 -70.3 -40.7 12.6 -1.7 -7.2 56 871 A E H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.868 109.7 49.1 -59.0 -39.7 9.9 -4.4 -7.4 57 872 A I H X S+ 0 0 11 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.927 110.7 48.1 -66.3 -46.8 8.0 -2.5 -4.6 58 873 A Q H X S+ 0 0 114 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.891 112.6 50.1 -64.5 -39.5 8.2 0.9 -6.4 59 874 A I H < S+ 0 0 15 -4,-2.5 4,-0.2 2,-0.2 -1,-0.2 0.944 115.0 42.0 -59.5 -50.9 7.1 -0.6 -9.7 60 875 A L H >< S+ 0 0 4 -4,-2.1 3,-1.5 1,-0.2 11,-0.4 0.884 110.9 56.5 -69.4 -36.9 4.1 -2.4 -8.1 61 876 A K H 3< S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.873 107.3 50.5 -57.9 -37.7 3.2 0.7 -6.0 62 877 A A T 3< S+ 0 0 57 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.449 93.7 95.1 -82.2 -0.5 3.0 2.7 -9.2 63 878 A L < + 0 0 16 -3,-1.5 2,-0.4 -4,-0.2 8,-0.4 -0.817 45.3 174.9 -99.7 130.3 0.7 0.2 -10.9 64 879 A H + 0 0 142 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.880 26.1 121.1-135.5 101.9 -3.1 0.6 -10.8 65 880 A S > - 0 0 30 -2,-0.4 3,-1.5 3,-0.4 -2,-0.0 -0.975 62.9-126.5-160.9 144.2 -5.3 -1.9 -12.8 66 881 A D T 3 S+ 0 0 108 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.649 113.6 54.9 -65.8 -16.4 -8.0 -4.3 -12.1 67 882 A F T 3 S+ 0 0 40 77,-0.1 78,-2.7 2,-0.1 2,-0.4 0.153 95.9 74.8-107.8 18.1 -5.8 -6.9 -13.9 68 883 A I B < S-f 145 0B 3 -3,-1.5 -3,-0.4 76,-0.3 78,-0.2 -0.998 93.5-101.2-128.1 131.1 -2.7 -6.4 -11.7 69 884 A V - 0 0 6 76,-2.7 2,-0.4 -2,-0.4 -6,-0.1 -0.133 50.3-108.9 -44.9 137.7 -2.4 -7.8 -8.1 70 885 A K - 0 0 82 -4,-0.1 13,-2.1 -6,-0.1 2,-0.3 -0.630 17.9-136.0 -89.2 129.1 -3.0 -4.8 -5.8 71 886 A Y E + E 0 82A 35 -2,-0.4 11,-0.2 -11,-0.4 3,-0.1 -0.602 22.6 176.5 -70.0 131.7 -0.3 -3.2 -3.7 72 887 A R E - 0 0 112 9,-3.1 2,-0.3 1,-0.4 10,-0.2 0.749 50.0 -81.6-108.0 -36.8 -1.4 -2.5 -0.1 73 888 A G E - E 0 81A 0 8,-1.8 8,-2.9 2,-0.0 -1,-0.4 -0.981 41.6 -85.7 164.1-163.2 1.7 -1.1 1.5 74 889 A V E -aE 2 80A 13 -73,-1.8 -71,-3.0 -2,-0.3 2,-0.3 -0.884 15.8-152.3-129.5 160.5 5.1 -2.0 3.1 75 890 A S E E 0 79A 0 4,-2.0 4,-2.7 -2,-0.3 -71,-0.1 -0.985 360.0 360.0-128.3 143.2 6.4 -2.9 6.5 76 891 A Y 0 0 179 -2,-0.3 -71,-0.4 -73,-0.3 -2,-0.0 -0.770 360.0 360.0-105.9 360.0 10.1 -2.2 7.5 77 ! 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 78 898 A L 0 0 114 0, 0.0 -35,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -29.4 11.8 -5.2 4.4 79 899 A R E -DE 42 75A 19 -4,-2.7 -4,-2.0 -37,-0.1 2,-0.5 -0.993 360.0-144.3-138.4 140.4 8.3 -6.6 3.5 80 900 A L E -DE 41 74A 0 -39,-3.2 -39,-2.8 -2,-0.3 2,-0.5 -0.904 16.4-152.4-106.0 121.7 5.8 -6.0 0.7 81 901 A V E +DE 40 73A 0 -8,-2.9 -9,-3.1 -2,-0.5 -8,-1.8 -0.810 23.0 166.2-101.0 127.7 2.0 -6.1 1.6 82 902 A M E -DE 39 71A 20 -43,-2.8 -43,-2.5 -2,-0.5 -11,-0.2 -0.874 42.4 -83.0-133.8 162.8 -0.5 -7.1 -1.1 83 903 A E E -D 38 0A 20 -13,-2.1 2,-0.5 -2,-0.3 -45,-0.2 -0.373 45.5-126.7 -63.5 148.2 -4.1 -8.2 -1.4 84 904 A Y - 0 0 63 -47,-0.5 -47,-0.1 -46,-0.1 -1,-0.1 -0.897 17.4-163.5-102.5 126.2 -4.6 -11.9 -0.8 85 905 A L > - 0 0 12 -2,-0.5 3,-1.8 1,-0.1 52,-0.2 -0.936 3.4-162.7-110.4 105.2 -6.4 -13.8 -3.4 86 906 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.789 81.9 71.6 -64.5 -26.8 -7.5 -17.1 -1.8 87 907 A S T 3 S- 0 0 55 50,-0.5 6,-0.1 1,-0.2 51,-0.1 0.510 91.0-155.4 -67.5 -6.8 -8.1 -18.9 -5.2 88 908 A G < - 0 0 29 -3,-1.8 49,-2.2 49,-0.2 -1,-0.2 -0.174 41.4 -9.0 69.3-155.3 -4.3 -19.0 -5.8 89 909 A C B >> -G 136 0B 16 47,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.474 57.3-123.2 -88.6 153.8 -2.8 -19.2 -9.2 90 910 A L H 3> S+ 0 0 0 45,-2.9 4,-3.0 42,-0.6 5,-0.2 0.798 108.6 65.1 -57.1 -34.9 -4.5 -19.8 -12.5 91 911 A R H 3> S+ 0 0 91 41,-1.3 4,-1.6 44,-0.4 -1,-0.2 0.919 111.3 33.8 -57.3 -47.2 -2.3 -22.8 -13.1 92 912 A D H <> S+ 0 0 62 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.848 116.1 56.6 -76.4 -37.5 -3.8 -24.7 -10.2 93 913 A F H X S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 109.4 46.3 -58.3 -44.7 -7.2 -23.2 -10.6 94 914 A L H X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.928 110.9 51.8 -63.8 -47.6 -7.3 -24.4 -14.2 95 915 A Q H < S+ 0 0 89 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.775 118.3 38.5 -58.1 -30.2 -6.1 -27.9 -13.2 96 916 A R H < S+ 0 0 199 -4,-1.7 3,-0.2 -3,-0.2 -2,-0.2 0.754 120.7 39.5 -92.6 -32.1 -8.9 -28.1 -10.5 97 917 A H H >X S+ 0 0 57 -4,-2.5 3,-2.2 -5,-0.2 4,-1.2 0.179 71.1 127.3-112.9 18.6 -11.9 -26.4 -12.3 98 918 A R T 3< + 0 0 123 -4,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.789 68.7 59.9 -38.9 -44.5 -11.4 -27.9 -15.7 99 919 A A T 34 S+ 0 0 109 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.718 109.8 41.1 -65.3 -23.2 -15.0 -29.2 -15.9 100 920 A R T <4 S+ 0 0 167 -3,-2.2 2,-0.9 1,-0.1 -1,-0.2 0.649 95.2 84.1 -99.1 -23.2 -16.6 -25.7 -15.5 101 921 A L < - 0 0 3 -4,-1.2 2,-0.1 -3,-0.3 -1,-0.1 -0.763 57.7-176.9 -95.0 104.8 -14.3 -23.5 -17.7 102 922 A D >> - 0 0 96 -2,-0.9 4,-1.9 1,-0.0 3,-1.0 -0.316 48.0 -82.6 -85.4 177.5 -15.4 -23.5 -21.3 103 923 A A H 3> S+ 0 0 41 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.766 127.3 56.6 -53.5 -32.7 -13.6 -21.8 -24.3 104 924 A S H 3> S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.874 105.9 49.0 -67.6 -39.5 -15.3 -18.5 -23.5 105 925 A R H <> S+ 0 0 70 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.951 111.2 49.8 -67.0 -46.6 -14.1 -18.4 -20.0 106 926 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.844 111.7 49.3 -58.5 -37.8 -10.6 -19.1 -21.2 107 927 A L H X S+ 0 0 9 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.3 0.817 107.9 54.0 -72.2 -32.9 -11.0 -16.3 -23.7 108 928 A L H X S+ 0 0 35 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.947 110.4 46.5 -64.8 -47.6 -12.2 -14.0 -21.0 109 929 A Y H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.940 111.6 51.3 -55.4 -51.5 -9.0 -14.8 -18.9 110 930 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 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1024 A C T 3 S+ 0 0 171 -2,-0.2 3,-1.1 1,-0.2 6,-0.4 0.853 95.2 59.4 -67.9 -36.8 1.0 -31.8 -17.1 207 1027 A S G 3 S+ 0 0 80 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 0.675 115.8 33.4 -71.2 -20.0 1.1 -34.4 -19.9 208 1028 A C G < S+ 0 0 23 -3,-0.7 -1,-0.3 -6,-0.1 -2,-0.2 0.123 90.3 128.5-122.5 25.0 0.8 -31.8 -22.7 209 1029 A S S <> S- 0 0 21 -3,-1.1 4,-2.8 -5,-0.1 5,-0.2 -0.219 78.1 -98.1 -62.9 162.2 2.8 -29.0 -21.0 210 1030 A P H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.886 124.6 51.8 -49.4 -46.2 5.7 -27.3 -22.8 211 1031 A S H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.964 111.5 45.1 -55.6 -57.7 8.2 -29.6 -21.0 212 1032 A A H > S+ 0 0 24 -6,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.880 114.5 49.6 -57.5 -42.0 6.4 -32.8 -21.9 213 1033 A E H X S+ 0 0 27 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.879 109.7 50.9 -66.0 -39.5 6.0 -31.5 -25.5 214 1034 A F H < S+ 0 0 12 -4,-2.8 3,-0.3 1,-0.2 4,-0.3 0.894 107.1 53.2 -63.0 -43.8 9.7 -30.6 -25.8 215 1035 A L H < S+ 0 0 121 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.798 107.6 52.9 -61.7 -29.4 10.9 -34.0 -24.6 216 1036 A R H < S+ 0 0 139 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.784 109.8 46.3 -76.4 -31.6 8.7 -35.6 -27.3 217 1037 A M < 0 0 51 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.347 360.0 360.0 -90.2 4.8 10.3 -33.5 -30.0 218 1038 A M 0 0 130 -3,-0.5 -1,-0.2 -4,-0.3 8,-0.1 -0.605 360.0 360.0 81.0 360.0 13.8 -34.3 -28.5 219 ! 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 0.0 220 1044 A V 0 0 123 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.0 23.2 -31.9 -26.4 221 1045 A P >> - 0 0 85 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.233 360.0-133.3 -54.5 130.7 22.1 -29.2 -23.9 222 1046 A A H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 106.0 56.3 -52.0 -39.6 18.3 -28.8 -23.6 223 1047 A L H 3> S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.871 111.0 43.7 -62.5 -38.5 18.6 -25.0 -24.0 224 1048 A S H <> S+ 0 0 44 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.877 111.2 53.2 -74.5 -41.6 20.4 -25.4 -27.3 225 1049 A R H X S+ 0 0 94 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.940 108.3 51.2 -55.0 -50.8 18.1 -28.1 -28.6 226 1050 A L H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.877 109.2 51.6 -55.5 -42.6 15.1 -25.8 -27.9 227 1051 A L H X S+ 0 0 31 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.928 109.4 48.2 -60.2 -50.5 16.9 -23.1 -29.8 228 1052 A E H X S+ 0 0 102 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.924 112.0 50.7 -54.3 -48.9 17.5 -25.3 -32.9 229 1053 A L H <>S+ 0 0 23 -4,-2.7 5,-2.8 1,-0.2 4,-0.5 0.908 114.1 43.1 -56.8 -46.8 13.8 -26.4 -32.8 230 1054 A L H <5S+ 0 0 26 -4,-2.3 3,-0.4 3,-0.2 -1,-0.2 0.819 111.3 54.9 -69.4 -33.7 12.5 -22.9 -32.6 231 1055 A E H <5S+ 0 0 160 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.876 106.9 51.9 -64.0 -39.6 15.0 -21.7 -35.3 232 1056 A E T <5S- 0 0 131 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.625 124.1-106.6 -70.5 -17.6 13.6 -24.5 -37.5 233 1057 A G T 5 + 0 0 47 -4,-0.5 -3,-0.2 -3,-0.4 2,-0.2 0.596 65.9 154.0 93.6 14.6 10.1 -23.2 -37.0 234 1058 A Q < + 0 0 87 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.3 -0.530 17.6 174.4 -68.9 142.8 9.0 -26.0 -34.7 235 1059 A R - 0 0 56 -2,-0.2 16,-0.0 0, 0.0 -5,-0.0 -0.964 38.2 -79.8-146.5 161.1 6.2 -24.9 -32.3 236 1060 A L - 0 0 26 -2,-0.3 15,-0.0 1,-0.1 2,-0.0 -0.323 55.4-112.2 -60.2 142.0 3.8 -26.3 -29.7 237 1061 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 -0.299 39.6 -79.5 -78.3 163.7 0.8 -28.1 -31.2 238 1062 A A - 0 0 47 1,-0.1 3,-0.1 4,-0.1 4,-0.1 -0.418 55.9-112.0 -58.0 124.7 -2.8 -26.9 -31.0 239 1063 A P > - 0 0 2 0, 0.0 3,-2.7 0, 0.0 -37,-0.1 -0.308 50.0 -77.2 -55.7 148.6 -4.1 -28.0 -27.6 240 1064 A P T 3 S+ 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.214 119.2 3.2 -50.2 136.4 -6.7 -30.7 -27.9 241 1065 A A T 3 S+ 0 0 111 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 0.543 93.4 158.7 59.7 10.4 -10.1 -29.2 -28.9 242 1066 A C < - 0 0 20 -3,-2.7 -1,-0.2 1,-0.1 -4,-0.1 -0.434 48.5-112.0 -63.4 128.2 -8.4 -25.8 -29.2 243 1067 A P > - 0 0 37 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.372 23.6-126.5 -58.4 143.2 -10.3 -23.5 -31.5 244 1068 A A H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.913 107.2 54.8 -61.2 -48.0 -8.3 -22.8 -34.7 245 1069 A E H > S+ 0 0 110 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.772 107.6 51.9 -56.5 -31.3 -8.4 -19.0 -34.5 246 1070 A V H > S+ 0 0 2 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.866 108.4 49.4 -75.1 -39.1 -6.9 -19.3 -31.0 247 1071 A H H X S+ 0 0 32 -4,-1.6 4,-2.2 -3,-0.2 -2,-0.2 0.896 107.3 55.5 -64.5 -41.4 -4.1 -21.5 -32.1 248 1072 A E H X S+ 0 0 95 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.885 104.8 54.2 -57.7 -41.0 -3.4 -19.0 -35.0 249 1073 A L H X S+ 0 0 6 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.849 106.2 51.8 -59.5 -38.1 -3.0 -16.3 -32.3 250 1074 A M H X S+ 0 0 0 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.959 109.1 49.3 -63.5 -50.3 -0.4 -18.4 -30.5 251 1075 A K H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.837 108.2 54.2 -58.9 -35.8 1.6 -18.8 -33.7 252 1076 A L H >< S+ 0 0 86 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.898 107.9 49.2 -65.1 -40.0 1.4 -15.1 -34.3 253 1077 A C H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.724 108.0 57.7 -65.6 -23.5 2.8 -14.5 -30.8 254 1078 A W T 3< S+ 0 0 5 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.063 73.1 144.3-100.3 23.5 5.6 -17.0 -31.7 255 1079 A A < - 0 0 14 -3,-1.2 6,-0.2 1,-0.1 5,-0.1 -0.410 57.6-123.7 -58.6 132.1 6.8 -15.1 -34.8 256 1080 A P S S+ 0 0 99 0, 0.0 -79,-0.2 0, 0.0 -1,-0.1 0.847 95.3 55.1 -50.5 -42.1 10.6 -15.6 -35.0 257 1081 A S S >> S- 0 0 48 1,-0.1 3,-2.1 -81,-0.1 4,-0.5 -0.838 81.6-134.4-103.4 131.3 11.4 -11.8 -35.0 258 1082 A P G >4 S+ 0 0 38 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.764 105.2 58.6 -52.6 -32.5 10.1 -9.6 -32.2 259 1083 A Q G 34 S+ 0 0 168 1,-0.2 -4,-0.0 -3,-0.0 0, 0.0 0.721 101.4 55.1 -72.1 -22.1 8.9 -7.0 -34.7 260 1084 A D G <4 S+ 0 0 106 -3,-2.1 -1,-0.2 -5,-0.1 -6,-0.1 0.507 87.7 95.4 -90.0 -5.7 6.6 -9.5 -36.4 261 1085 A R S << S- 0 0 11 -3,-0.8 -8,-0.2 -4,-0.5 -9,-0.1 -0.653 84.1-112.1 -79.2 139.0 4.8 -10.4 -33.2 262 1086 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.372 30.2-109.9 -68.5 152.7 1.6 -8.4 -32.7 263 1087 A S > - 0 0 57 1,-0.1 4,-2.3 -2,-0.1 3,-0.2 -0.362 24.7-113.8 -70.7 159.8 1.3 -5.8 -29.9 264 1088 A F H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -146,-0.2 0.902 119.4 58.2 -58.9 -40.7 -0.9 -6.5 -26.8 265 1089 A S H 4 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 -150,-0.0 0.817 108.6 44.3 -61.4 -34.3 -3.1 -3.6 -28.1 266 1090 A A H > S+ 0 0 43 -3,-0.2 4,-1.0 2,-0.1 -1,-0.2 0.897 113.2 52.0 -71.7 -41.9 -3.7 -5.4 -31.4 267 1091 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.861 98.9 64.0 -60.2 -41.7 -4.3 -8.8 -29.6 268 1092 A G H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.916 100.8 48.4 -54.8 -56.6 -6.9 -7.5 -27.2 269 1093 A P H > S+ 0 0 64 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.878 112.6 51.0 -45.6 -45.9 -9.6 -6.6 -29.8 270 1094 A Q H X S+ 0 0 80 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.890 110.4 47.0 -66.4 -42.6 -9.1 -10.0 -31.4 271 1095 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.875 111.2 52.6 -65.5 -38.4 -9.5 -11.9 -28.2 272 1096 A D H X S+ 0 0 58 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.863 110.3 48.3 -62.5 -38.8 -12.6 -9.8 -27.4 273 1097 A M H X S+ 0 0 129 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.881 112.6 47.1 -69.5 -40.7 -14.1 -10.7 -30.8 274 1098 A L H < S+ 0 0 37 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.845 109.0 55.1 -68.0 -38.3 -13.3 -14.4 -30.3 275 1099 A W H < S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 114.1 40.5 -59.1 -41.3 -14.9 -14.3 -26.9 276 1100 A S H < 0 0 92 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.720 360.0 360.0 -78.7 -24.2 -18.0 -12.9 -28.5 277 1101 A G < 0 0 100 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.780 360.0 360.0 -80.9 360.0 -17.7 -15.3 -31.4