==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-AUG-08 3E64 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.ANTONYSAMY,W.FANG,G.HIRST,F.PARK,M.RUSSELL,L.SMYTH,P.SPREN . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 71.0 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 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 1 0 1 0 0 2 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 2 0 1 2 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 1 839 A R 0 0 149 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.1 58.2 46.7 33.9 2 840 A D > - 0 0 88 1,-0.1 3,-1.9 3,-0.0 0, 0.0 -0.804 360.0-154.5 -82.5 111.3 56.1 43.8 32.6 3 841 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.573 88.6 65.6 -70.8 -9.6 52.5 45.2 33.0 4 842 A T T 3 S+ 0 0 48 73,-0.1 74,-2.4 1,-0.1 2,-0.7 0.426 84.7 85.8 -88.1 -1.7 51.0 41.7 33.2 5 843 A Q B < -a 78 0A 86 -3,-1.9 2,-0.5 72,-0.2 74,-0.2 -0.888 66.2-167.7-103.2 108.6 52.9 41.2 36.5 6 844 A F - 0 0 23 72,-2.2 2,-0.6 -2,-0.7 74,-0.3 -0.857 17.0-140.1-105.2 127.3 50.8 42.6 39.4 7 845 A E > - 0 0 82 -2,-0.5 3,-1.7 1,-0.1 4,-0.3 -0.753 13.3-146.8 -84.0 119.0 52.2 43.1 42.9 8 846 A E G > S+ 0 0 39 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.813 92.5 65.4 -62.6 -31.7 49.5 42.1 45.3 9 847 A R G 3 S+ 0 0 199 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.723 99.8 54.5 -66.6 -17.6 50.4 44.6 48.0 10 848 A H G < S+ 0 0 48 -3,-1.7 21,-2.8 2,-0.0 2,-0.7 0.518 84.5 100.8 -89.3 -5.8 49.4 47.4 45.5 11 849 A L E < -B 30 0A 25 -3,-1.8 2,-0.5 -4,-0.3 19,-0.2 -0.728 59.3-160.2 -83.0 115.6 45.9 45.9 45.0 12 850 A K E -B 29 0A 68 17,-3.0 17,-2.4 -2,-0.7 2,-0.1 -0.859 18.2-123.8 -98.9 121.6 43.3 47.8 47.0 13 851 A F E +B 28 0A 119 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.404 38.0 162.9 -60.8 129.8 39.9 46.1 47.7 14 852 A L E - 0 0 71 13,-2.7 2,-0.3 1,-0.4 14,-0.2 0.709 60.7 -27.8-112.3 -52.4 37.0 48.2 46.5 15 853 A Q E -B 27 0A 99 12,-1.7 12,-3.1 0, 0.0 -1,-0.4 -0.984 59.5-102.2-162.5 157.1 34.0 45.8 46.4 16 854 A Q E -B 26 0A 92 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.707 22.7-172.7 -85.7 139.5 33.1 42.1 45.9 17 855 A L E - 0 0 69 8,-3.0 2,-0.2 1,-0.4 9,-0.2 0.607 63.2 -34.2-107.2 -19.8 31.8 41.1 42.5 18 856 A G E -B 25 0A 30 7,-1.4 7,-2.5 2,-0.0 -1,-0.4 -0.837 50.0-161.9 169.9 160.7 30.8 37.5 43.3 19 857 A K E +B 24 0A 133 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.958 21.7 133.7-148.9 161.0 31.6 34.4 45.3 20 858 A G - 0 0 47 3,-1.6 2,-0.2 -2,-0.3 27,-0.1 -0.879 62.1 -22.1-170.1-152.4 30.9 30.7 45.2 21 859 A N S S+ 0 0 74 -2,-0.3 2,-2.2 1,-0.1 0, 0.0 -0.522 126.5 1.6 -68.0 146.6 32.6 27.3 45.6 22 860 A F S S+ 0 0 43 -2,-0.2 25,-4.5 24,-0.1 26,-1.0 -0.447 125.2 29.0 72.6 -65.5 36.3 27.5 44.7 23 861 A G E - C 0 46A 12 -2,-2.2 -3,-1.6 23,-0.3 2,-0.3 -0.626 47.5-156.8-131.4 175.9 36.5 31.2 44.0 24 862 A S E -BC 19 45A 5 21,-2.3 21,-2.5 -5,-0.2 2,-0.4 -0.957 15.4-144.0-142.5 157.3 35.6 34.9 44.3 25 863 A V E -BC 18 44A 33 -7,-2.5 -8,-3.0 -2,-0.3 -7,-1.4 -0.997 18.8-171.7-124.9 131.4 36.0 38.0 42.1 26 864 A E E -BC 16 43A 31 17,-2.4 17,-2.9 -2,-0.4 2,-0.5 -0.967 25.3-127.4-122.9 142.4 36.8 41.4 43.6 27 865 A M E +BC 15 42A 30 -12,-3.1 -13,-2.7 -2,-0.4 -12,-1.7 -0.786 43.1 171.6 -79.2 125.2 36.9 44.9 42.1 28 866 A C E -BC 13 41A 3 13,-2.6 13,-3.1 -2,-0.5 2,-0.6 -0.935 34.3-127.7-133.8 153.2 40.3 46.4 43.1 29 867 A R E -BC 12 40A 64 -17,-2.4 -17,-3.0 -2,-0.3 2,-1.1 -0.919 18.0-142.2 -97.8 128.1 42.3 49.4 42.3 30 868 A Y E +BC 11 39A 47 9,-3.5 9,-0.6 -2,-0.6 -19,-0.2 -0.786 35.0 168.5 -86.6 103.7 45.9 48.7 41.3 31 869 A D > + 0 0 2 -21,-2.8 3,-1.6 -2,-1.1 5,-0.2 -0.561 18.7 157.2-127.5 65.9 47.4 51.6 43.0 32 870 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.742 82.1 55.3 -65.0 -24.7 51.2 51.4 43.2 33 871 A L T 3 S- 0 0 133 -3,-0.2 -2,-0.1 -23,-0.1 -3,-0.0 0.564 101.2-141.1 -80.5 -12.3 51.5 55.2 43.6 34 872 A Q S < S+ 0 0 141 -3,-1.6 -3,-0.1 -24,-0.1 -4,-0.0 0.724 72.5 108.3 60.5 28.6 49.2 54.8 46.6 35 873 A D S S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.052 93.4-107.6-121.0 20.0 47.2 58.0 45.8 36 874 A N S S+ 0 0 103 -5,-0.2 -5,-0.0 1,-0.1 -6,-0.0 0.709 93.3 107.5 59.2 27.4 44.0 56.4 44.6 37 875 A T + 0 0 96 2,-0.1 -1,-0.1 -8,-0.0 3,-0.1 0.441 48.8 111.8-107.9 -3.8 44.7 57.2 40.9 38 876 A G S S- 0 0 16 1,-0.1 -7,-0.2 -9,-0.1 2,-0.2 -0.045 77.0 -78.1 -70.1 171.3 45.5 53.7 39.7 39 877 A E E -C 30 0A 106 -9,-0.6 -9,-3.5 -10,-0.1 2,-0.4 -0.483 38.3-128.0 -72.1 140.3 43.5 51.5 37.3 40 878 A V E +C 29 0A 33 -11,-0.3 53,-0.6 -2,-0.2 2,-0.3 -0.744 38.3 172.0 -86.3 131.9 40.4 49.6 38.6 41 879 A V E -CD 28 92A 0 -13,-3.1 -13,-2.6 -2,-0.4 2,-0.4 -0.856 35.2-111.6-136.5 163.9 40.6 45.9 37.7 42 880 A A E -CD 27 91A 8 49,-2.8 49,-3.0 -2,-0.3 2,-0.5 -0.889 30.8-160.8 -98.5 134.1 38.7 42.6 38.4 43 881 A V E -CD 26 90A 2 -17,-2.9 -17,-2.4 -2,-0.4 2,-0.5 -0.959 3.1-163.1-122.2 116.3 40.7 40.1 40.5 44 882 A K E +CD 25 89A 17 45,-3.2 45,-2.7 -2,-0.5 2,-0.3 -0.853 20.0 162.5 -99.0 131.2 39.8 36.4 40.6 45 883 A K E -CD 24 88A 45 -21,-2.5 -21,-2.3 -2,-0.5 2,-0.4 -0.905 36.4-100.1-139.5 169.6 41.1 34.3 43.4 46 884 A L E -C 23 0A 18 41,-0.5 -23,-0.3 -2,-0.3 3,-0.3 -0.735 10.5-160.9 -94.9 137.9 40.6 31.0 45.2 47 885 A Q S S+ 0 0 69 -25,-4.5 2,-0.5 -2,-0.4 -24,-0.2 0.905 96.7 26.8 -74.5 -46.5 38.7 30.5 48.5 48 886 A H S S- 0 0 132 -26,-1.0 2,-0.9 2,-0.0 -1,-0.3 -0.957 75.6-172.5-118.8 106.2 40.3 27.1 49.0 49 887 A S + 0 0 19 -2,-0.5 2,-0.0 -3,-0.3 -26,-0.0 -0.544 19.3 161.0-105.4 66.7 43.6 26.9 47.1 50 888 A T > - 0 0 71 -2,-0.9 4,-2.8 1,-0.1 5,-0.2 -0.273 58.3 -95.3 -71.6 169.6 44.5 23.2 47.5 51 889 A E H > S+ 0 0 159 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.911 127.7 46.0 -49.3 -50.0 47.1 21.7 45.1 52 890 A E H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.931 112.5 49.1 -65.8 -46.8 44.3 20.4 42.9 53 891 A H H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.923 111.7 49.5 -56.6 -47.1 42.4 23.7 42.9 54 892 A L H X S+ 0 0 25 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.885 108.7 53.3 -60.9 -42.0 45.6 25.7 42.0 55 893 A R H X S+ 0 0 124 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.944 112.6 43.3 -57.6 -49.7 46.4 23.3 39.2 56 894 A D H X S+ 0 0 53 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.897 112.2 54.2 -62.8 -42.1 43.0 23.8 37.6 57 895 A F H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.919 105.6 52.3 -60.3 -44.4 43.2 27.6 38.2 58 896 A E H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.888 109.3 49.5 -62.5 -36.3 46.5 27.8 36.4 59 897 A R H X S+ 0 0 108 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.906 109.9 52.3 -65.0 -40.9 44.9 26.0 33.4 60 898 A E H X S+ 0 0 18 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.922 108.1 50.7 -58.4 -49.2 42.0 28.4 33.5 61 899 A I H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.921 110.6 48.9 -55.0 -47.5 44.4 31.4 33.5 62 900 A E H X S+ 0 0 94 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.903 110.0 52.7 -60.9 -41.6 46.2 30.0 30.4 63 901 A I H >< S+ 0 0 13 -4,-2.6 3,-0.6 2,-0.2 4,-0.4 0.973 112.7 43.2 -56.3 -53.0 42.8 29.4 28.7 64 902 A L H >< S+ 0 0 3 -4,-2.7 3,-1.7 1,-0.3 11,-0.3 0.908 110.8 54.8 -64.0 -42.1 41.8 33.1 29.3 65 903 A K H 3< S+ 0 0 79 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.824 106.3 54.4 -57.9 -31.6 45.2 34.4 28.3 66 904 A S T << S+ 0 0 30 -4,-1.6 2,-0.5 -3,-0.6 -1,-0.3 0.509 94.1 84.0 -81.3 -8.6 44.9 32.5 25.0 67 905 A L < + 0 0 8 -3,-1.7 2,-0.4 -4,-0.4 8,-0.4 -0.884 46.8 171.2-103.5 123.0 41.5 34.1 24.1 68 906 A Q + 0 0 134 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.901 25.9 130.4-129.6 104.3 41.4 37.5 22.3 69 907 A H > - 0 0 52 -2,-0.4 3,-1.8 3,-0.4 56,-0.0 -0.992 64.3-117.2-153.5 146.5 37.9 38.4 21.2 70 908 A D T 3 S+ 0 0 100 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.782 116.5 46.1 -53.2 -30.5 35.5 41.4 21.5 71 909 A N T 3 S+ 0 0 11 50,-0.1 83,-2.8 82,-0.1 2,-0.4 -0.011 97.5 81.4-109.7 28.8 33.0 39.2 23.4 72 910 A I B < S-f 154 0B 2 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -1.000 89.5-104.8-131.2 130.0 35.4 37.5 25.9 73 911 A V - 0 0 2 81,-2.8 2,-0.4 -2,-0.4 -6,-0.1 -0.231 44.4-107.6 -54.6 139.8 36.6 39.3 29.0 74 912 A K - 0 0 114 -4,-0.1 18,-2.2 -6,-0.1 2,-0.3 -0.582 20.1-135.0 -80.7 126.1 40.2 40.6 28.7 75 913 A Y E + E 0 91A 45 -2,-0.4 16,-0.2 -8,-0.4 3,-0.1 -0.571 25.5 174.4 -64.7 133.5 43.1 39.0 30.5 76 914 A K E - 0 0 57 14,-2.8 2,-0.3 1,-0.4 15,-0.2 0.679 49.7 -74.2-111.6 -35.6 45.3 41.6 32.1 77 915 A G E - E 0 90A 0 13,-1.8 13,-2.8 -72,-0.0 -1,-0.4 -0.992 42.6 -88.8 166.4-164.3 47.8 39.6 34.1 78 916 A V E -aE 5 89A 5 -74,-2.4 -72,-2.2 -2,-0.3 2,-0.4 -0.954 13.5-141.2-140.0 154.2 48.5 37.5 37.2 79 917 A C E - E 0 88A 4 9,-2.1 9,-1.9 -2,-0.3 2,-0.4 -0.964 15.2-164.0-109.3 138.8 49.7 37.6 40.9 80 918 A Y E - E 0 87A 108 -2,-0.4 2,-0.3 -74,-0.3 -72,-0.2 -0.977 11.1-143.1-114.8 134.8 52.0 35.0 42.4 81 919 A S > - 0 0 48 5,-2.2 4,-0.5 -2,-0.4 2,-0.0 -0.706 27.5-104.1 -89.6 151.9 52.4 34.7 46.2 82 920 A A T 4 S+ 0 0 98 -2,-0.3 2,-1.0 2,-0.1 4,-0.3 -0.350 91.0 3.2 -65.5 150.5 55.8 33.8 47.8 83 921 A G T 4 S+ 0 0 83 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.623 134.6 33.3 80.8-101.5 56.3 30.2 49.0 84 922 A R T 4 S- 0 0 147 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.1 0.517 100.8-128.3 -77.4 -5.9 53.2 28.2 48.2 85 923 A R < - 0 0 105 -4,-0.5 2,-0.1 -3,-0.2 -3,-0.1 0.925 30.7-171.7 63.9 52.2 52.5 30.1 45.0 86 924 A N - 0 0 30 -4,-0.3 -5,-2.2 1,-0.0 2,-0.4 -0.468 15.5-138.8 -66.2 150.1 48.9 31.1 45.4 87 925 A L E - E 0 80A 2 -7,-0.2 -41,-0.5 -2,-0.1 2,-0.4 -0.900 19.3-169.0-123.0 141.3 47.6 32.7 42.2 88 926 A K E -DE 45 79A 51 -9,-1.9 -9,-2.1 -2,-0.4 2,-0.5 -0.995 15.4-144.3-126.5 137.7 45.3 35.7 41.3 89 927 A L E -DE 44 78A 1 -45,-2.7 -45,-3.2 -2,-0.4 2,-0.5 -0.909 13.1-155.2-100.3 124.9 43.9 36.3 37.9 90 928 A I E +DE 43 77A 0 -13,-2.8 -14,-2.8 -2,-0.5 -13,-1.8 -0.855 20.1 170.2-105.3 129.3 43.7 40.0 36.9 91 929 A M E -DE 42 75A 10 -49,-3.0 -49,-2.8 -2,-0.5 -16,-0.2 -0.884 40.3 -84.4-131.2 161.0 41.1 41.0 34.3 92 930 A E E -D 41 0A 23 -18,-2.2 2,-0.6 -2,-0.3 -51,-0.2 -0.341 47.2-116.7 -59.5 148.6 39.6 44.2 32.9 93 931 A Y - 0 0 59 -53,-0.6 -1,-0.1 -65,-0.0 -53,-0.1 -0.834 19.9-158.8 -92.8 122.6 36.7 45.6 34.9 94 932 A L > - 0 0 9 -2,-0.6 3,-1.6 1,-0.1 52,-0.2 -0.902 9.8-156.7-102.8 107.3 33.4 45.7 33.1 95 933 A P T 3 S+ 0 0 71 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.615 80.6 64.1 -74.7 -15.1 31.4 48.3 35.0 96 934 A Y T 3 S- 0 0 118 50,-1.5 51,-0.1 1,-0.2 52,-0.1 0.474 95.5-144.2 -84.7 -0.9 27.8 47.3 34.3 97 935 A G < - 0 0 27 -3,-1.6 49,-3.2 49,-0.4 -1,-0.2 -0.244 45.1 -9.2 76.8-160.9 28.2 43.9 36.1 98 936 A S B > -G 145 0B 19 47,-0.2 4,-2.5 -81,-0.1 47,-0.3 -0.383 56.0-129.2 -76.0 152.1 26.7 40.6 35.1 99 937 A L H > S+ 0 0 0 45,-3.3 4,-3.0 42,-0.7 5,-0.3 0.875 109.5 59.4 -65.5 -35.1 24.0 40.3 32.5 100 938 A R H > S+ 0 0 83 41,-1.4 4,-2.0 44,-0.4 -1,-0.2 0.947 111.8 38.8 -55.9 -51.9 21.9 38.3 34.9 101 939 A D H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.894 115.2 53.8 -65.5 -43.1 21.8 41.2 37.4 102 940 A Y H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.922 113.5 41.1 -58.5 -48.5 21.5 43.8 34.6 103 941 A L H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.861 112.9 53.8 -70.1 -36.7 18.5 42.1 33.0 104 942 A Q H < S+ 0 0 62 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.861 113.6 45.9 -63.8 -35.8 16.9 41.4 36.4 105 943 A K H < S+ 0 0 154 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.969 125.9 24.8 -69.6 -58.6 17.3 45.1 37.2 106 944 A H H >< S+ 0 0 68 -4,-2.5 3,-2.1 1,-0.2 -3,-0.2 0.672 83.9 172.1 -88.4 -20.7 16.0 46.7 33.9 107 945 A K G >< S+ 0 0 96 -4,-2.5 3,-2.4 -5,-0.3 -1,-0.2 -0.122 70.2 3.7 47.4-133.9 13.7 43.9 32.7 108 946 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 104,-0.1 4,-0.1 0.551 113.3 83.5 -63.7 -7.2 11.5 44.8 29.7 109 947 A R G < S+ 0 0 112 -3,-2.1 2,-0.8 -6,-0.1 -1,-0.3 0.704 81.0 73.7 -65.9 -19.8 13.2 48.2 29.5 110 948 A I S < S- 0 0 12 -3,-2.4 -1,-0.1 -4,-0.2 102,-0.0 -0.891 90.2-148.7 -88.1 109.2 15.8 46.1 27.6 111 949 A D > - 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0 0 21 -3,-1.3 -3,-0.2 -4,-0.4 3,-0.1 0.783 60.4 -69.2 55.8 31.9 14.1 38.6 31.9 213 1051 A I T 3 S+ 0 0 67 -2,-0.5 3,-1.3 1,-0.3 6,-0.3 0.842 99.8 52.8 -53.8 -43.7 12.6 34.0 39.4 216 1054 A S G 3 S+ 0 0 71 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.724 113.2 47.3 -64.4 -20.9 9.5 31.9 39.1 217 1055 A K G < S+ 0 0 67 -3,-1.5 -1,-0.2 -6,-0.1 -2,-0.2 0.353 83.5 126.6-103.3 4.3 10.4 31.3 35.5 218 1056 A S S <> S- 0 0 25 -3,-1.3 4,-2.8 -4,-0.3 5,-0.2 -0.210 74.3-111.1 -61.6 149.0 14.1 30.3 36.1 219 1057 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.906 119.0 50.1 -50.1 -45.3 15.3 27.0 34.6 220 1058 A P H > S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.945 112.8 46.2 -57.2 -45.7 15.7 25.5 38.2 221 1059 A A H > S+ 0 0 34 -6,-0.3 4,-2.0 1,-0.2 5,-0.1 0.913 116.2 45.2 -63.1 -43.5 12.2 26.6 39.2 222 1060 A E H X S+ 0 0 15 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.918 113.9 45.9 -69.8 -45.1 10.6 25.3 35.9 223 1061 A F H X S+ 0 0 8 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.888 112.3 52.6 -64.3 -38.7 12.4 21.9 35.8 224 1062 A M H X S+ 0 0 29 -4,-2.2 4,-2.0 -5,-0.3 7,-0.2 0.918 109.4 49.7 -63.9 -40.0 11.6 21.3 39.5 225 1063 A R H < S+ 0 0 127 -4,-2.0 -2,-0.2 -5,-0.2 4,-0.2 0.929 112.0 48.9 -61.4 -44.0 8.0 22.0 38.8 226 1064 A M H < S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.869 119.7 35.0 -66.5 -38.0 8.1 19.6 35.8 227 1065 A I H < S- 0 0 16 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.677 127.7 -92.1 -87.2 -19.3 9.7 16.7 37.7 228 1066 A G >< - 0 0 16 -4,-2.0 3,-1.8 -5,-0.3 -3,-0.2 0.232 19.2-115.3 109.5 126.1 7.9 17.6 41.0 229 1067 A N T 3 S+ 0 0 122 1,-0.3 -4,-0.1 -4,-0.2 -1,-0.1 0.655 110.8 71.4 -65.8 -12.3 9.1 19.8 43.8 230 1068 A D T 3 S+ 0 0 108 -6,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.651 73.9 103.2 -75.4 -17.8 9.1 16.7 46.0 231 1069 A K < - 0 0 45 -3,-1.8 2,-0.3 -7,-0.2 -3,-0.1 -0.480 54.4-172.6 -71.5 136.8 12.2 15.3 44.2 232 1070 A Q > - 0 0 157 -2,-0.2 3,-1.6 4,-0.0 4,-0.2 -0.955 37.2 -26.3-135.3 151.8 15.5 15.7 46.2 233 1071 A G T >> S+ 0 0 56 -2,-0.3 3,-2.0 1,-0.3 4,-0.6 -0.156 127.4 0.6 53.0-134.4 19.2 15.2 45.8 234 1072 A Q H 3> S+ 0 0 174 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.741 124.9 69.4 -58.2 -28.6 20.2 12.5 43.2 235 1073 A M H <> S+ 0 0 84 -3,-1.6 4,-2.6 1,-0.2 -1,-0.3 0.765 90.5 63.0 -60.4 -28.1 16.5 11.8 42.4 236 1074 A I H <> S+ 0 0 31 -3,-2.0 4,-2.7 -4,-0.2 -1,-0.2 0.951 105.3 45.0 -57.7 -48.1 16.4 15.3 40.8 237 1075 A V H X S+ 0 0 46 -4,-0.6 4,-2.6 -3,-0.3 -2,-0.2 0.920 112.7 51.0 -63.8 -45.7 19.0 14.1 38.2 238 1076 A F H X S+ 0 0 106 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.941 115.5 41.2 -54.9 -52.7 17.2 10.8 37.7 239 1077 A H H X S+ 0 0 54 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.854 112.6 54.7 -68.1 -35.9 13.8 12.5 37.0 240 1078 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.919 107.5 50.4 -62.7 -43.4 15.4 15.3 35.0 241 1079 A I H X S+ 0 0 33 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.941 112.9 46.8 -57.2 -47.9 17.0 12.6 32.6 242 1080 A E H X S+ 0 0 68 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.892 111.6 51.2 -63.5 -43.0 13.6 10.9 32.2 243 1081 A L H ><>S+ 0 0 35 -4,-2.6 5,-2.8 2,-0.2 3,-0.6 0.942 112.0 45.4 -56.6 -52.4 11.9 14.3 31.6 244 1082 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.893 107.5 58.5 -63.6 -39.4 14.4 15.3 28.9 245 1083 A K H 3<5S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.0 47.5 -55.3 -34.9 14.2 11.8 27.3 246 1084 A N T <<5S- 0 0 124 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.166 125.3-101.8 -96.0 16.7 10.5 12.4 26.8 247 1085 A N T < 5 + 0 0 108 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.668 63.5 160.9 63.4 25.5 10.9 15.9 25.4 248 1086 A G < + 0 0 17 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.575 19.4 167.1 -63.5 133.0 10.0 17.7 28.6 249 1087 A R - 0 0 39 -2,-0.2 16,-0.0 -3,-0.1 -5,-0.0 -0.970 43.9 -81.3-146.5 158.6 11.4 21.2 28.0 250 1088 A L - 0 0 2 -2,-0.3 2,-0.1 1,-0.1 -43,-0.0 -0.345 58.9-111.2 -52.2 142.4 11.3 24.7 29.4 251 1089 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.367 37.3 -82.9 -76.5 161.2 8.1 26.5 28.1 252 1090 A R - 0 0 101 -2,-0.1 3,-0.1 1,-0.1 6,-0.0 -0.504 53.7-115.5 -58.0 122.6 8.1 29.3 25.6 253 1091 A P > - 0 0 5 0, 0.0 3,-1.8 0, 0.0 -42,-0.1 -0.352 39.9 -90.6 -58.3 143.8 8.7 32.5 27.6 254 1092 A D T 3 S+ 0 0 128 1,-0.3 0, 0.0 -43,-0.1 0, 0.0 -0.367 111.5 10.1 -54.6 129.1 5.8 34.9 27.6 255 1093 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.1 -44,-0.0 0.517 89.6 150.2 79.3 5.5 6.0 37.4 24.7 256 1094 A C < - 0 0 8 -3,-1.8 -1,-0.3 1,-0.1 -4,-0.0 -0.569 51.8-113.1 -74.4 130.5 8.9 35.6 23.1 257 1095 A P > - 0 0 29 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.311 22.7-123.7 -59.0 145.5 9.1 35.9 19.2 258 1096 A D H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 109.4 55.3 -61.8 -43.4 8.4 32.6 17.5 259 1097 A E H > S+ 0 0 95 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.813 110.5 46.8 -56.8 -34.5 11.7 32.7 15.5 260 1098 A I H > S+ 0 0 1 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.876 110.2 51.4 -76.5 -40.8 13.6 33.0 18.8 261 1099 A Y H X S+ 0 0 53 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.903 107.2 55.2 -59.9 -42.5 11.6 30.2 20.5 262 1100 A M H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.883 105.0 52.6 -58.9 -41.3 12.4 28.0 17.5 263 1101 A I H X S+ 0 0 1 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.949 108.9 49.7 -58.7 -50.0 16.1 28.6 18.0 264 1102 A M H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.922 111.0 48.7 -49.9 -51.9 15.8 27.6 21.7 265 1103 A T H < S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.0 52.9 -67.5 -31.6 14.0 24.4 20.8 266 1104 A E H >< S+ 0 0 70 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.870 107.1 52.0 -66.8 -39.5 16.5 23.5 18.1 267 1105 A C H 3< S+ 0 0 0 -4,-2.0 2,-1.0 1,-0.2 -2,-0.2 0.876 102.7 62.6 -61.6 -35.9 19.4 23.9 20.6 268 1106 A W T 3< S+ 0 0 7 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 -0.247 73.5 141.1 -88.8 47.3 17.5 21.5 23.0 269 1107 A N < - 0 0 46 -2,-1.0 6,-0.1 -3,-0.6 -69,-0.1 -0.769 51.1-145.7 -89.0 131.3 17.6 18.5 20.6 270 1108 A N S S+ 0 0 54 -2,-0.4 2,-0.8 -26,-0.1 -1,-0.1 0.835 87.9 81.7 -58.7 -32.9 18.2 15.1 22.3 271 1109 A N S >> S- 0 0 73 1,-0.2 3,-1.1 -3,-0.0 4,-0.5 -0.690 73.8-156.5 -79.3 108.6 20.1 14.2 19.1 272 1110 A V G >4 S+ 0 0 47 -2,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.881 88.3 51.4 -55.4 -44.4 23.6 15.7 19.6 273 1111 A N G 34 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.655 102.4 60.2 -72.6 -17.4 24.5 16.0 15.9 274 1112 A Q G <4 S+ 0 0 125 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.566 78.1 107.0 -87.1 -11.7 21.3 17.8 15.0 275 1113 A R S << S- 0 0 16 -3,-1.2 -8,-0.2 -4,-0.5 -9,-0.0 -0.416 79.1-106.2 -65.4 143.2 21.9 20.8 17.2 276 1114 A P - 0 0 18 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.186 31.3-111.9 -67.2 163.9 22.8 23.9 15.3 277 1115 A S > - 0 0 41 1,-0.1 4,-2.8 -78,-0.0 5,-0.2 -0.591 18.6-121.0 -89.4 157.1 26.4 25.3 15.2 278 1116 A F H > S+ 0 0 8 2,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.866 115.5 58.3 -64.2 -35.4 27.4 28.6 16.8 279 1117 A R H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.950 111.6 41.1 -55.3 -48.6 28.6 29.8 13.3 280 1118 A D H > S+ 0 0 65 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.884 112.2 54.0 -68.7 -40.4 25.0 29.2 12.1 281 1119 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.913 107.9 50.6 -59.9 -41.9 23.3 30.6 15.2 282 1120 A A H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.927 112.5 47.2 -64.4 -40.9 25.3 33.8 14.8 283 1121 A L H X S+ 0 0 113 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.936 114.5 46.7 -60.1 -49.7 24.3 34.1 11.1 284 1122 A R H X S+ 0 0 79 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.913 113.2 47.5 -63.0 -44.0 20.6 33.4 12.0 285 1123 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.930 111.2 50.8 -64.9 -45.8 20.4 35.8 14.9 286 1124 A D H X S+ 0 0 47 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.888 109.9 51.2 -58.6 -39.6 22.1 38.6 12.9 287 1125 A Q H X S+ 0 0 108 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.925 109.5 49.4 -62.6 -46.2 19.5 38.0 10.1 288 1126 A I H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 111.8 48.7 -58.0 -44.2 16.6 38.2 12.6 289 1127 A R H X S+ 0 0 70 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.902 110.9 51.8 -59.7 -43.1 18.1 41.5 13.9 290 1128 A D H < S+ 0 0 115 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.897 109.2 48.9 -60.2 -45.1 18.4 42.8 10.3 291 1129 A N H < S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.9 47.7 -63.4 -41.0 14.8 41.9 9.6 292 1130 A M H < 0 0 81 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.874 360.0 360.0 -66.8 -38.5 13.6 43.7 12.8 293 1131 A A < 0 0 108 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.765 360.0 360.0 -98.8 360.0 15.8 46.8 12.1