==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-JAN-13 4IVA . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,S.SHIA . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 69.2 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 . 46 15.8 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 0.3 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 0 1 1 0 1 1 0 1 0 1 0 2 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 3 0 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 1 841 A P 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.8 -10.7 11.6 -3.9 2 842 A T + 0 0 55 73,-0.1 74,-2.4 2,-0.0 2,-0.5 0.088 360.0 87.3 -90.4 20.8 -9.1 8.1 -3.8 3 843 A Q B -a 76 0A 108 72,-0.2 2,-0.4 74,-0.1 74,-0.2 -0.973 63.5-163.5-121.9 116.2 -10.4 7.7 -0.2 4 844 A F - 0 0 24 72,-2.1 74,-0.5 -2,-0.5 2,-0.4 -0.826 20.0-123.3-101.7 136.0 -14.0 6.4 0.2 5 845 A E > - 0 0 85 -2,-0.4 3,-1.7 1,-0.1 4,-0.5 -0.646 11.9-142.6 -81.5 125.2 -16.0 6.7 3.4 6 846 A E G > S+ 0 0 90 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.831 97.1 65.3 -58.0 -32.3 -17.1 3.3 4.8 7 847 A R G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.735 105.1 44.5 -63.8 -22.2 -20.4 4.8 6.0 8 848 A H G < S+ 0 0 15 -3,-1.7 21,-2.6 20,-0.0 2,-0.7 0.439 89.6 97.9-100.4 -0.2 -21.5 5.5 2.3 9 849 A L E < -B 28 0A 28 -3,-1.3 2,-0.5 -4,-0.5 19,-0.2 -0.810 56.2-170.9 -96.6 114.0 -20.4 2.1 0.9 10 850 A K E -B 27 0A 85 17,-3.0 17,-2.7 -2,-0.7 2,-0.1 -0.920 21.2-124.4-114.9 124.8 -23.4 -0.2 0.6 11 851 A F E +B 26 0A 118 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.403 36.3 160.8 -65.9 132.7 -23.2 -3.9 -0.3 12 852 A L E - 0 0 60 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.693 58.7 -15.1-111.9 -55.3 -25.3 -4.9 -3.3 13 853 A Q E -B 25 0A 105 12,-1.9 12,-3.6 0, 0.0 2,-0.4 -0.995 58.4-105.6-153.5 153.3 -24.0 -8.2 -4.6 14 854 A Q E +B 24 0A 91 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.678 30.5 179.8 -77.1 132.4 -21.2 -10.7 -4.5 15 855 A L E - 0 0 78 8,-2.3 2,-0.3 -2,-0.4 9,-0.2 0.854 50.1 -61.9 -98.8 -52.9 -19.1 -10.7 -7.7 16 856 A G E -B 23 0A 30 7,-1.9 7,-3.3 2,-0.0 -1,-0.3 -0.980 35.3-124.1 177.8 170.9 -16.5 -13.3 -7.2 17 857 A K E +B 22 0A 188 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.912 22.4 167.7-130.9 156.6 -13.5 -14.7 -5.4 18 858 A G E > -B 21 0A 28 3,-2.2 3,-1.8 -2,-0.3 2,-0.2 -0.877 60.9 -18.2-168.2 140.0 -10.0 -15.7 -6.3 19 859 A N T 3 S- 0 0 76 -2,-0.3 156,-0.0 1,-0.2 138,-0.0 -0.444 126.9 -28.9 60.0-125.8 -6.8 -16.5 -4.4 20 860 A F T 3 S+ 0 0 130 -2,-0.2 25,-1.4 136,-0.1 26,-0.4 0.003 121.8 79.1-111.8 30.6 -7.3 -15.0 -0.9 21 861 A G E < -BC 18 44A 9 -3,-1.8 -3,-2.2 23,-0.2 2,-0.3 -0.937 57.7-151.3-134.4 155.7 -9.6 -12.1 -1.8 22 862 A S E -BC 17 43A 3 21,-2.4 21,-2.8 -2,-0.3 2,-0.4 -0.958 8.9-149.2-125.3 148.2 -13.3 -11.5 -2.6 23 863 A V E -BC 16 42A 23 -7,-3.3 -8,-2.3 -2,-0.3 -7,-1.9 -0.965 15.5-172.4-118.4 132.1 -14.8 -8.8 -4.8 24 864 A E E -BC 14 41A 21 17,-2.7 17,-3.2 -2,-0.4 2,-0.5 -0.906 26.3-121.0-124.0 150.7 -18.3 -7.3 -4.2 25 865 A M E +BC 13 40A 19 -12,-3.6 -13,-2.8 -2,-0.3 -12,-1.9 -0.821 42.9 173.5 -88.1 123.5 -20.6 -5.0 -6.0 26 866 A C E -BC 11 39A 5 13,-2.9 13,-3.3 -2,-0.5 2,-0.5 -0.959 31.1-129.2-134.5 150.4 -21.3 -1.9 -3.9 27 867 A R E -BC 10 38A 68 -17,-2.7 -17,-3.0 -2,-0.3 2,-0.7 -0.857 13.5-150.7 -94.5 128.6 -23.0 1.4 -4.2 28 868 A Y E +BC 9 37A 36 9,-3.2 9,-0.5 -2,-0.5 -19,-0.2 -0.923 25.8 173.3 -95.2 114.6 -21.1 4.5 -3.1 29 869 A D > + 0 0 2 -21,-2.6 3,-1.9 -2,-0.7 5,-0.2 -0.581 19.6 160.8-132.0 66.3 -23.9 6.8 -2.0 30 870 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.792 83.1 57.5 -55.9 -30.6 -22.7 10.0 -0.3 31 871 A L T 3 S- 0 0 128 -3,-0.1 -2,-0.1 -23,-0.1 -23,-0.0 0.578 99.4-142.7 -77.8 -10.5 -26.2 11.6 -1.1 32 872 A Q S < S+ 0 0 104 -3,-1.9 -3,-0.0 1,-0.1 -1,-0.0 0.829 70.5 108.6 54.0 38.6 -27.8 8.7 0.9 33 873 A D S S- 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.088 93.7-104.3-131.5 20.9 -30.7 8.5 -1.5 34 874 A N S S+ 0 0 133 -5,-0.2 -5,-0.0 1,-0.1 -6,-0.0 0.551 97.8 100.0 69.4 12.7 -30.0 5.2 -3.4 35 875 A T + 0 0 97 -8,-0.0 -1,-0.1 -6,-0.0 -6,-0.1 0.428 51.0 118.4-108.1 -1.3 -28.8 7.0 -6.6 36 876 A G - 0 0 13 1,-0.1 -7,-0.2 -9,-0.0 0, 0.0 -0.045 70.0 -77.3 -71.3 169.5 -25.0 6.8 -6.2 37 877 A E E -C 28 0A 100 -9,-0.5 -9,-3.2 -10,-0.1 2,-0.4 -0.211 39.7-125.7 -61.5 148.7 -22.3 5.2 -8.4 38 878 A V E +C 27 0A 35 -11,-0.3 53,-0.6 53,-0.1 2,-0.3 -0.849 33.5 177.0 -97.1 135.0 -21.7 1.4 -8.3 39 879 A V E -CD 26 90A 0 -13,-3.3 -13,-2.9 -2,-0.4 2,-0.5 -0.871 30.9-116.7-130.8 162.3 -18.1 0.2 -7.7 40 880 A A E -CD 25 89A 7 49,-2.5 49,-3.0 -2,-0.3 2,-0.5 -0.907 30.0-160.6-101.2 130.5 -16.3 -3.1 -7.2 41 881 A V E -CD 24 88A 2 -17,-3.2 -17,-2.7 -2,-0.5 2,-0.4 -0.955 3.6-158.4-120.6 120.9 -14.8 -3.6 -3.8 42 882 A K E +CD 23 87A 7 45,-2.8 45,-2.5 -2,-0.5 2,-0.3 -0.842 15.9 177.3 -98.6 134.1 -12.0 -6.1 -3.0 43 883 A K E -C 22 0A 43 -21,-2.8 -21,-2.4 -2,-0.4 2,-0.4 -0.906 26.6-122.4-129.3 156.8 -11.5 -7.3 0.5 44 884 A L E -C 21 0A 23 41,-0.5 3,-0.2 -2,-0.3 -23,-0.2 -0.811 8.3-148.1 -92.5 142.6 -9.2 -9.9 2.2 45 885 A Q S S+ 0 0 139 -25,-1.4 2,-0.4 -2,-0.4 -1,-0.1 0.879 91.2 23.4 -76.4 -35.9 -10.7 -12.7 4.1 46 886 A H - 0 0 129 -26,-0.4 2,-2.5 -3,-0.1 -1,-0.3 -0.883 66.9-155.0-134.9 107.4 -7.7 -12.7 6.6 47 887 A S + 0 0 53 -2,-0.4 2,-0.1 -3,-0.2 -3,-0.0 -0.359 34.2 161.0 -77.8 63.8 -5.5 -9.7 7.2 48 888 A T > - 0 0 42 -2,-2.5 4,-2.9 1,-0.1 5,-0.3 -0.303 58.0-102.2 -69.0 167.0 -2.4 -11.6 8.3 49 889 A E H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 124.2 45.0 -61.7 -40.6 0.8 -9.7 8.1 50 890 A E H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 115.7 44.4 -67.4 -49.8 1.7 -11.6 4.9 51 891 A H H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 115.0 48.7 -65.6 -41.0 -1.7 -11.3 3.2 52 892 A L H X S+ 0 0 54 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.908 110.6 50.5 -64.5 -42.7 -2.0 -7.6 4.2 53 893 A R H X S+ 0 0 128 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.927 112.5 47.4 -58.7 -46.0 1.5 -6.8 2.9 54 894 A D H X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 111.4 51.3 -61.8 -40.5 0.6 -8.6 -0.4 55 895 A F H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.896 107.3 51.7 -65.6 -43.0 -2.7 -6.7 -0.6 56 896 A E H X S+ 0 0 106 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.895 110.5 50.5 -57.4 -40.7 -0.9 -3.3 -0.1 57 897 A R H X S+ 0 0 118 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.919 109.6 50.2 -61.9 -44.9 1.4 -4.4 -3.0 58 898 A E H X S+ 0 0 17 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.903 110.0 50.4 -58.9 -44.0 -1.6 -5.2 -5.2 59 899 A I H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.934 111.6 47.4 -62.1 -46.0 -3.2 -1.9 -4.4 60 900 A E H X S+ 0 0 112 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.899 111.6 52.3 -62.1 -40.4 0.0 -0.0 -5.3 61 901 A I H X S+ 0 0 7 -4,-2.7 4,-0.6 2,-0.2 3,-0.3 0.970 112.9 42.3 -58.6 -54.5 0.3 -2.1 -8.5 62 902 A L H >< S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 11,-0.4 0.908 111.7 55.2 -63.6 -39.0 -3.3 -1.3 -9.7 63 903 A K H 3< S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 105.2 54.5 -58.6 -37.5 -2.9 2.4 -8.7 64 904 A S H 3< S+ 0 0 39 -4,-1.8 2,-0.5 -3,-0.3 -1,-0.3 0.567 93.6 88.5 -73.8 -12.3 0.2 2.6 -10.8 65 905 A L << + 0 0 10 -3,-1.4 8,-0.4 -4,-0.6 2,-0.3 -0.793 43.2 167.0 -97.3 126.5 -1.7 1.3 -13.9 66 906 A Q + 0 0 175 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.852 27.0 127.1-136.5 100.2 -3.5 3.6 -16.3 67 907 A H > - 0 0 55 3,-0.4 3,-1.8 -2,-0.3 56,-0.0 -0.991 64.6-118.1-156.5 145.3 -4.5 1.9 -19.6 68 908 A D T 3 S+ 0 0 98 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.736 115.4 46.9 -58.2 -26.9 -7.6 1.4 -21.7 69 909 A N T 3 S+ 0 0 13 82,-0.1 83,-2.9 50,-0.1 2,-0.4 0.008 98.5 81.0-107.5 28.0 -7.4 -2.4 -21.3 70 910 A I B < S-f 152 0B 2 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -1.000 89.2-106.4-131.1 130.3 -6.7 -2.4 -17.5 71 911 A V - 0 0 3 81,-2.8 2,-0.4 -2,-0.4 -6,-0.1 -0.269 46.3-105.4 -54.3 138.0 -9.6 -2.1 -15.0 72 912 A K - 0 0 126 -4,-0.1 18,-2.5 -6,-0.1 2,-0.3 -0.567 20.4-135.0 -78.5 127.7 -9.5 1.3 -13.3 73 913 A Y E + E 0 89A 38 -8,-0.4 16,-0.2 -11,-0.4 3,-0.1 -0.584 24.6 175.8 -64.5 133.7 -8.3 1.9 -9.8 74 914 A K E - 0 0 57 14,-2.8 2,-0.3 1,-0.4 15,-0.2 0.711 47.0 -85.8-111.3 -37.3 -10.7 4.2 -7.9 75 915 A G E - E 0 88A 0 13,-1.9 13,-3.0 -72,-0.0 -1,-0.4 -0.993 40.1 -75.1 164.3-162.1 -9.3 4.3 -4.4 76 916 A V E -aE 3 87A 8 -74,-2.4 -72,-2.1 -2,-0.3 2,-0.5 -0.943 22.5-146.2-129.3 152.0 -9.2 2.6 -1.0 77 917 A C E - E 0 86A 1 9,-2.4 9,-2.0 -2,-0.3 2,-1.4 -0.993 6.5-153.9-117.0 122.2 -11.6 2.4 1.9 78 918 A Y > + 0 0 98 -2,-0.5 4,-1.3 -74,-0.5 7,-0.2 -0.679 35.7 179.8 -92.0 79.0 -10.0 2.3 5.3 79 919 A S H >> + 0 0 6 -2,-1.4 5,-1.3 2,-0.2 4,-1.3 -0.049 48.7 48.9 -84.0-178.9 -13.0 0.5 6.8 80 920 A A H 45S- 0 0 39 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.894 140.8 -50.7 51.4 44.0 -13.7 -0.8 10.4 81 921 A G H 45S- 0 0 53 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.883 108.5 -51.2 64.2 40.5 -12.6 2.7 11.7 82 922 A R H <5S+ 0 0 170 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.686 120.0 106.6 65.9 27.9 -9.4 2.5 9.7 83 923 A R T <5S+ 0 0 203 -4,-1.3 2,-0.3 -3,-0.4 -3,-0.2 0.141 76.7 45.7-115.7 16.1 -8.4 -0.9 11.0 84 924 A N S - 0 0 12 -2,-0.5 3,-1.9 1,-0.1 52,-0.2 -0.913 3.1-158.0-107.7 105.4 -18.0 -3.4 -15.3 93 933 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 0.731 87.3 63.3 -55.1 -29.8 -21.7 -4.6 -15.7 94 934 A Y T 3 S- 0 0 107 50,-0.6 51,-0.1 1,-0.2 6,-0.1 0.655 94.7-157.2 -73.6 -15.8 -21.0 -7.0 -18.5 95 935 A G < - 0 0 26 -3,-1.9 49,-2.9 49,-0.3 -1,-0.2 -0.259 39.4 -3.2 77.3-159.2 -18.8 -9.1 -16.2 96 936 A S B > -G 143 0B 19 47,-0.2 4,-2.5 1,-0.1 47,-0.3 -0.310 56.5-127.9 -73.6 150.7 -16.0 -11.5 -17.1 97 937 A L H > S+ 0 0 0 45,-2.9 4,-2.6 42,-0.6 5,-0.3 0.854 109.1 62.0 -61.1 -36.4 -15.1 -12.4 -20.7 98 938 A R H > S+ 0 0 83 41,-1.2 4,-1.4 44,-0.4 -1,-0.2 0.937 111.1 35.8 -55.5 -50.9 -15.4 -16.1 -19.7 99 939 A D H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.889 115.8 56.0 -73.4 -38.4 -19.1 -15.7 -18.9 100 940 A Y H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.889 109.8 44.8 -59.3 -43.5 -19.8 -13.2 -21.7 101 941 A L H < S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.861 110.3 54.7 -71.3 -36.4 -18.4 -15.6 -24.4 102 942 A Q H < S+ 0 0 89 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.772 115.9 40.3 -65.5 -28.6 -20.4 -18.6 -22.9 103 943 A K H < S+ 0 0 162 -4,-1.5 3,-0.2 1,-0.1 -2,-0.2 0.860 124.3 33.2 -85.3 -42.8 -23.6 -16.5 -23.2 104 944 A H S >X S+ 0 0 27 -4,-2.5 4,-1.8 1,-0.2 3,-0.9 0.036 70.8 135.3-107.7 25.2 -23.1 -14.8 -26.6 105 945 A K T 34 S+ 0 0 56 -4,-0.5 -1,-0.2 1,-0.3 -3,-0.1 0.666 75.4 49.0 -55.3 -21.8 -21.2 -17.5 -28.5 106 946 A E T 34 S+ 0 0 174 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.853 111.2 49.0 -81.4 -39.4 -23.4 -17.0 -31.6 107 947 A R T <4 S+ 0 0 147 -3,-0.9 2,-0.8 1,-0.1 -2,-0.2 0.830 98.3 79.0 -64.2 -34.2 -23.0 -13.2 -31.6 108 948 A I < - 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0 0 35 -3,-1.6 -3,-0.2 -4,-0.5 -105,-0.1 0.778 61.3 -70.7 54.3 28.1 -16.0 -20.4 -26.7 211 1051 A I T 3 S+ 0 0 167 -2,-0.5 3,-1.6 1,-0.3 6,-0.3 0.852 101.1 52.0 -54.1 -46.0 -16.9 -27.2 -20.9 214 1054 A S G 3 S+ 0 0 53 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.562 109.9 53.3 -69.6 -7.6 -15.5 -30.5 -22.3 215 1055 A K G < S+ 0 0 61 -3,-2.1 -1,-0.3 -6,-0.1 -2,-0.2 0.272 78.9 124.4-109.3 6.1 -12.8 -28.4 -24.2 216 1056 A S S <> S- 0 0 25 -3,-1.6 4,-2.8 -4,-0.2 5,-0.3 -0.219 76.1-108.8 -64.1 156.8 -11.4 -26.4 -21.1 217 1057 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.923 120.4 48.7 -56.5 -41.5 -7.7 -26.7 -20.5 218 1058 A P H > S+ 0 0 42 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.938 112.2 48.3 -62.6 -42.3 -8.3 -28.8 -17.4 219 1059 A A H > S+ 0 0 22 -6,-0.3 4,-1.8 1,-0.2 5,-0.1 0.921 115.7 44.0 -62.3 -41.9 -10.6 -31.2 -19.2 220 1060 A E H X S+ 0 0 17 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.910 115.5 45.8 -71.4 -45.2 -8.2 -31.6 -22.2 221 1061 A F H X S+ 0 0 8 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.905 113.5 49.7 -64.4 -41.1 -5.1 -32.0 -20.1 222 1062 A M H X S+ 0 0 28 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.857 107.4 55.6 -67.6 -34.6 -6.8 -34.5 -17.8 223 1063 A R H < S+ 0 0 119 -4,-1.8 -1,-0.2 -5,-0.2 4,-0.2 0.918 113.2 41.3 -57.9 -45.2 -8.0 -36.4 -20.8 224 1064 A M H < S+ 0 0 92 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 120.3 43.5 -68.9 -40.7 -4.4 -36.7 -22.0 225 1065 A I H < S- 0 0 9 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.857 125.3 -90.1 -72.1 -38.4 -3.1 -37.5 -18.5 226 1066 A G >< - 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0 0 31 -2,-0.3 16,-0.0 -26,-0.0 -5,-0.0 -0.959 41.1 -86.2-142.5 158.1 -0.2 -29.6 -26.1 248 1088 A L - 0 0 2 -2,-0.3 2,-0.0 1,-0.1 -27,-0.0 -0.376 57.0-111.1 -56.9 143.0 -3.8 -28.5 -26.1 249 1089 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 -0.266 34.9 -85.2 -77.8 166.1 -5.4 -29.4 -29.4 250 1090 A R - 0 0 129 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.586 53.9-115.2 -67.3 123.5 -6.6 -27.0 -32.1 251 1091 A P > - 0 0 10 0, 0.0 3,-2.3 0, 0.0 2,-0.1 -0.277 36.7 -90.1 -61.0 145.9 -10.1 -25.9 -31.1 252 1092 A D T 3 S+ 0 0 124 1,-0.3 0, 0.0 -43,-0.1 0, 0.0 -0.380 115.6 12.8 -52.6 123.7 -13.0 -27.0 -33.4 253 1093 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -2,-0.1 -44,-0.1 0.307 92.4 138.8 90.4 -6.1 -13.4 -24.1 -36.0 254 1094 A C < - 0 0 2 -3,-2.3 -1,-0.3 1,-0.1 5,-0.1 -0.578 57.8-118.0 -78.8 124.0 -10.1 -22.4 -35.1 255 1095 A P >> - 0 0 42 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.302 20.6-126.2 -54.8 139.0 -8.1 -21.1 -38.1 256 1096 A D H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.840 109.1 59.4 -61.4 -32.8 -4.8 -22.9 -38.3 257 1097 A E H 3> S+ 0 0 83 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.834 106.8 47.9 -64.3 -29.7 -2.9 -19.5 -38.3 258 1098 A I H <> S+ 0 0 2 -3,-0.9 4,-1.7 2,-0.2 3,-0.4 0.891 109.5 51.9 -76.8 -41.0 -4.5 -18.7 -34.9 259 1099 A Y H X S+ 0 0 41 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.882 104.3 58.9 -58.6 -36.7 -3.5 -22.1 -33.5 260 1100 A M H X S+ 0 0 86 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.848 101.7 53.7 -62.6 -34.9 0.0 -21.4 -34.7 261 1101 A I H X S+ 0 0 5 -4,-0.9 4,-1.8 -3,-0.4 -1,-0.2 0.936 109.6 48.2 -63.6 -45.2 0.1 -18.3 -32.5 262 1102 A M H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 3,-0.2 0.948 111.2 49.8 -58.5 -49.6 -0.9 -20.5 -29.5 263 1103 A T H < S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.855 108.6 52.7 -63.2 -32.1 1.8 -23.1 -30.3 264 1104 A E H < S+ 0 0 99 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.854 107.9 51.2 -69.5 -34.8 4.5 -20.4 -30.6 265 1105 A C H < S+ 0 0 0 -4,-1.8 2,-1.2 -3,-0.2 -2,-0.2 0.857 102.6 64.1 -65.1 -34.9 3.5 -19.0 -27.2 266 1106 A W S < S+ 0 0 7 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.2 -0.361 71.8 140.3 -90.3 53.8 3.8 -22.6 -25.9 267 1107 A N - 0 0 46 -2,-1.2 6,-0.1 -3,-0.5 5,-0.1 -0.844 50.4-146.3 -95.7 130.8 7.5 -22.9 -26.5 268 1108 A N S S+ 0 0 61 -2,-0.5 2,-0.9 -26,-0.1 -1,-0.1 0.794 86.7 82.5 -64.5 -27.0 9.5 -24.8 -23.8 269 1109 A N S >> S- 0 0 71 1,-0.2 3,-1.8 2,-0.0 4,-0.5 -0.725 72.1-158.8 -81.0 105.8 12.4 -22.4 -24.6 270 1110 A V G >4 S+ 0 0 41 -2,-0.9 3,-1.2 1,-0.3 -1,-0.2 0.877 89.0 53.9 -53.3 -43.2 11.5 -19.3 -22.6 271 1111 A N G 34 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.542 103.6 57.5 -75.0 -7.6 13.7 -17.0 -24.8 272 1112 A Q G <4 S+ 0 0 125 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.470 78.6 106.4 -99.1 -6.9 12.0 -18.2 -28.0 273 1113 A R S << S- 0 0 18 -3,-1.2 -8,-0.2 -4,-0.5 -9,-0.0 -0.467 79.2-106.1 -68.4 147.1 8.4 -17.2 -27.0 274 1114 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.244 32.7-111.0 -68.7 162.5 7.2 -14.1 -28.8 275 1115 A S > - 0 0 45 1,-0.1 4,-2.3 -78,-0.0 5,-0.1 -0.509 24.5-112.3 -85.9 163.1 6.9 -10.8 -27.1 276 1116 A F H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -151,-0.2 0.847 121.0 54.8 -63.1 -31.9 3.5 -9.2 -26.3 277 1117 A R H > S+ 0 0 172 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.935 107.8 49.1 -64.1 -47.2 4.4 -6.4 -28.8 278 1118 A D H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.917 113.1 48.5 -53.2 -47.5 5.0 -9.1 -31.5 279 1119 A L H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.905 109.3 49.5 -66.5 -44.6 1.7 -10.7 -30.6 280 1120 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.921 113.9 47.0 -61.2 -44.4 -0.4 -7.5 -30.7 281 1121 A L H X S+ 0 0 96 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.947 114.1 46.7 -61.2 -48.3 1.1 -6.5 -34.1 282 1122 A R H X S+ 0 0 96 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.938 114.3 46.7 -61.0 -48.4 0.5 -10.0 -35.5 283 1123 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.907 114.0 47.5 -62.0 -42.0 -3.0 -10.3 -34.2 284 1124 A D H X S+ 0 0 41 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.826 110.2 52.6 -70.8 -31.0 -3.9 -6.7 -35.5 285 1125 A Q H X S+ 0 0 100 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.918 109.9 49.1 -68.4 -42.4 -2.4 -7.5 -38.9 286 1126 A I H X S+ 0 0 4 -4,-2.6 4,-0.8 1,-0.2 3,-0.2 0.954 113.2 46.6 -58.0 -50.7 -4.5 -10.6 -39.2 287 1127 A R H >< S+ 0 0 67 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.888 113.3 48.9 -56.0 -45.2 -7.6 -8.6 -38.2 288 1128 A D H 3< S+ 0 0 135 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.773 112.3 48.7 -70.5 -29.3 -6.8 -5.8 -40.6 289 1129 A N H 3< S+ 0 0 124 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.529 86.9 116.5 -85.2 -9.1 -6.2 -8.3 -43.5 290 1130 A M S << S- 0 0 71 -4,-0.8 -3,-0.0 -3,-0.7 -4,-0.0 -0.161 81.0 -99.3 -70.0 162.8 -9.4 -10.3 -42.9 291 1131 A A 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.739 360.0 360.0 -55.1 -37.0 -12.1 -10.5 -45.6 292 1132 A G 0 0 144 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.653 360.0 360.0 -75.1 360.0 -14.5 -7.8 -44.2