==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-NOV-09 3KRR . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.A.TAVARES,M.GERSPACHER,M.KROEMER,C.SCHEUFLER . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 70.0 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 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 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 1 839 A S 0 0 159 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.4 -11.5 4.5 -0.6 2 840 A D > - 0 0 83 3,-0.1 3,-2.0 1,-0.1 0, 0.0 -0.901 360.0-162.8-102.0 106.3 -9.3 7.5 -1.4 3 841 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.540 84.2 66.1 -72.8 -3.7 -5.7 6.2 -1.0 4 842 A T T 3 S+ 0 0 46 73,-0.1 74,-2.4 1,-0.1 2,-0.7 0.447 86.0 80.5 -89.3 -3.5 -4.3 9.8 -0.8 5 843 A Q B < -a 78 0A 90 -3,-2.0 2,-0.4 72,-0.2 74,-0.2 -0.907 68.8-168.8-104.4 108.2 -6.1 10.4 2.5 6 844 A F - 0 0 18 72,-2.2 2,-0.6 -2,-0.7 74,-0.4 -0.851 18.2-138.0-102.8 134.4 -4.1 8.9 5.3 7 845 A E > - 0 0 94 -2,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.801 11.9-147.5 -88.3 118.6 -5.5 8.4 8.9 8 846 A E G > S+ 0 0 49 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.749 92.5 68.6 -65.5 -23.8 -2.7 9.4 11.3 9 847 A R G 3 S+ 0 0 190 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.718 99.9 51.3 -68.1 -19.2 -3.8 6.8 13.9 10 848 A H G < S+ 0 0 24 -3,-2.0 21,-2.7 2,-0.0 2,-0.7 0.469 86.3 99.8 -92.7 -4.5 -2.7 4.1 11.5 11 849 A L E < -B 30 0A 25 -3,-1.3 2,-0.6 -4,-0.3 19,-0.2 -0.762 59.4-161.8 -84.2 113.9 0.8 5.6 10.9 12 850 A K E -B 29 0A 55 17,-2.9 17,-2.3 -2,-0.7 2,-0.1 -0.879 19.2-123.5 -98.9 122.0 3.2 3.7 13.1 13 851 A F E +B 28 0A 117 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.389 36.3 166.4 -62.5 129.7 6.6 5.5 13.7 14 852 A L E - 0 0 72 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.737 60.0 -27.7-111.6 -53.3 9.5 3.3 12.7 15 853 A Q E -B 27 0A 103 12,-1.7 12,-3.4 0, 0.0 -1,-0.3 -0.985 57.3-103.1-161.8 156.6 12.5 5.8 12.7 16 854 A Q E -B 26 0A 87 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.617 26.5-175.1 -78.2 142.0 13.5 9.4 12.3 17 855 A L E - 0 0 70 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.698 59.6 -30.1-110.0 -29.9 15.0 10.2 8.9 18 856 A G E -B 25 0A 30 7,-1.5 7,-2.4 2,-0.0 -1,-0.4 -0.938 44.5-145.6-179.2 163.9 16.0 13.9 9.3 19 857 A K E +B 24 0A 141 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.997 42.5 101.0-143.4 137.8 15.3 17.2 11.0 20 858 A G E > +B 23 0A 40 3,-3.0 3,-1.5 -2,-0.3 -2,-0.0 -0.860 52.3 51.4 160.1 162.3 15.8 20.7 9.6 21 859 A N T 3 S- 0 0 36 1,-0.3 3,-0.1 -2,-0.2 155,-0.0 0.874 128.5 -58.9 52.0 42.3 14.2 23.8 8.0 22 860 A F T 3 S+ 0 0 52 1,-0.2 25,-1.7 24,-0.1 26,-0.6 0.720 122.3 90.7 56.3 30.0 11.6 23.7 10.9 23 861 A G E < -BC 20 46A 3 -3,-1.5 -3,-3.0 23,-0.3 2,-0.3 -0.894 58.8-148.4-144.9 170.2 10.5 20.2 9.8 24 862 A S E -BC 19 45A 6 21,-2.3 21,-2.5 -2,-0.3 2,-0.4 -0.982 6.5-151.4-139.2 148.4 11.1 16.6 10.4 25 863 A V E -BC 18 44A 35 -7,-2.4 -8,-3.0 -2,-0.3 -7,-1.5 -0.996 19.5-174.5-122.4 130.7 10.8 13.5 8.1 26 864 A E E -BC 16 43A 26 17,-2.7 17,-2.8 -2,-0.4 2,-0.6 -0.863 26.9-126.0-121.2 152.7 10.0 10.1 9.6 27 865 A M E +BC 15 42A 32 -12,-3.4 -13,-2.8 -2,-0.3 -12,-1.7 -0.899 42.0 169.8 -93.7 124.0 9.8 6.6 8.3 28 866 A C E -BC 13 41A 4 13,-2.6 13,-2.9 -2,-0.6 2,-0.5 -0.925 33.2-131.2-130.8 156.1 6.4 5.1 9.2 29 867 A R E -BC 12 40A 65 -17,-2.3 -17,-2.9 -2,-0.3 2,-1.0 -0.955 16.7-142.4-104.7 128.3 4.3 2.1 8.3 30 868 A Y E +BC 11 39A 46 9,-3.0 9,-0.7 -2,-0.5 -19,-0.2 -0.810 36.1 165.8 -88.4 103.7 0.8 2.8 7.3 31 869 A D > + 0 0 1 -21,-2.7 3,-1.5 -2,-1.0 5,-0.2 -0.579 19.0 158.6-132.3 66.2 -0.8 -0.2 9.0 32 870 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.803 81.2 57.6 -61.6 -30.0 -4.6 -0.1 9.3 33 871 A L T 3 S- 0 0 127 -3,-0.2 -2,-0.1 -23,-0.1 -3,-0.0 0.596 100.2-139.8 -73.1 -13.9 -4.7 -3.9 9.7 34 872 A Q S < S+ 0 0 101 -3,-1.5 -3,-0.0 -24,-0.1 -1,-0.0 0.794 73.8 108.0 59.3 33.1 -2.4 -3.6 12.7 35 873 A D S S- 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.080 92.7-109.7-124.1 18.7 -0.4 -6.7 11.7 36 874 A N S S+ 0 0 104 -5,-0.2 -5,-0.0 1,-0.1 -6,-0.0 0.712 92.2 108.8 57.9 26.4 2.8 -5.0 10.5 37 875 A T + 0 0 92 2,-0.1 -1,-0.1 -8,-0.0 -6,-0.1 0.470 48.3 112.7-104.9 -4.8 2.1 -5.8 6.8 38 876 A G S S- 0 0 16 1,-0.1 -7,-0.2 -9,-0.1 2,-0.2 -0.021 76.4 -78.4 -66.8 171.2 1.2 -2.2 5.7 39 877 A E E -C 30 0A 104 -9,-0.7 -9,-3.0 -10,-0.1 2,-0.4 -0.472 37.9-127.4 -73.1 136.2 3.2 -0.0 3.3 40 878 A V E +C 29 0A 35 -11,-0.2 53,-0.6 -2,-0.2 2,-0.3 -0.720 38.2 172.9 -83.7 131.6 6.3 1.8 4.5 41 879 A V E -CD 28 92A 0 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.4 -0.890 34.2-115.5-135.4 160.2 6.1 5.6 3.7 42 880 A A E -CD 27 91A 9 49,-2.8 49,-3.1 -2,-0.3 2,-0.5 -0.856 30.4-162.4 -96.0 135.8 8.0 8.8 4.3 43 881 A V E -CD 26 90A 2 -17,-2.8 -17,-2.7 -2,-0.4 2,-0.5 -0.982 5.2-162.6-126.4 119.9 6.2 11.4 6.4 44 882 A K E +CD 25 89A 12 45,-2.8 45,-2.6 -2,-0.5 2,-0.3 -0.881 19.6 164.9-101.3 132.4 7.1 15.1 6.6 45 883 A K E -C 24 0A 64 -21,-2.5 -21,-2.3 -2,-0.5 2,-0.3 -0.911 35.4-101.7-138.5 166.4 5.7 17.2 9.4 46 884 A L E -C 23 0A 23 41,-0.5 3,-0.3 -2,-0.3 -23,-0.3 -0.700 10.1-155.7 -91.5 142.5 6.3 20.5 11.1 47 885 A Q S S+ 0 0 83 -25,-1.7 2,-0.5 -2,-0.3 -24,-0.1 0.859 96.6 26.8 -76.1 -42.0 8.1 21.0 14.4 48 886 A H S S- 0 0 126 -26,-0.6 2,-1.4 2,-0.1 -1,-0.3 -0.921 75.0-166.3-126.2 102.1 6.4 24.3 15.1 49 887 A S + 0 0 22 -2,-0.5 2,-0.1 -3,-0.3 -27,-0.0 -0.512 23.9 159.7 -96.5 66.9 3.0 24.4 13.3 50 888 A T > - 0 0 60 -2,-1.4 4,-2.6 1,-0.1 5,-0.2 -0.342 57.5-102.8 -74.4 168.7 2.2 28.1 13.6 51 889 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.905 123.9 51.1 -64.3 -37.9 -0.4 29.5 11.2 52 890 A E H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 112.4 45.6 -62.5 -46.9 2.4 31.1 9.1 53 891 A H H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.889 111.5 52.6 -64.0 -39.3 4.3 27.7 8.9 54 892 A L H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.880 108.2 51.0 -66.8 -36.9 1.1 25.8 8.1 55 893 A R H X S+ 0 0 51 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.936 112.8 45.2 -65.6 -44.4 0.3 28.2 5.2 56 894 A D H X S+ 0 0 76 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.906 111.8 52.8 -64.6 -40.2 3.7 27.7 3.8 57 895 A F H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.899 105.1 53.9 -65.0 -41.0 3.6 23.9 4.2 58 896 A E H X S+ 0 0 56 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.888 108.5 50.3 -64.1 -34.0 0.3 23.6 2.4 59 897 A R H X S+ 0 0 115 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.910 108.9 52.3 -64.8 -41.4 1.8 25.5 -0.6 60 898 A E H X S+ 0 0 19 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.917 108.5 50.6 -57.0 -46.8 4.8 23.0 -0.4 61 899 A I H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.918 110.6 48.7 -59.1 -44.4 2.3 20.1 -0.5 62 900 A E H X S+ 0 0 95 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.882 110.0 52.7 -64.0 -38.4 0.6 21.6 -3.6 63 901 A I H < S+ 0 0 11 -4,-2.5 4,-0.5 2,-0.2 3,-0.4 0.974 112.9 42.8 -59.8 -52.0 3.9 22.1 -5.3 64 902 A L H >< S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.2 11,-0.3 0.898 110.9 54.8 -65.4 -40.3 4.9 18.5 -4.8 65 903 A K H 3< S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 105.1 55.9 -60.1 -32.7 1.5 17.1 -5.8 66 904 A S T 3< S+ 0 0 40 -4,-1.6 2,-0.5 -3,-0.4 -1,-0.3 0.562 93.4 85.2 -75.0 -11.5 1.8 19.1 -9.1 67 905 A L < + 0 0 8 -3,-1.5 2,-0.4 -4,-0.5 8,-0.4 -0.841 45.8 170.3-102.4 125.6 5.1 17.4 -10.0 68 906 A Q + 0 0 167 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.896 27.0 127.0-132.7 102.9 5.3 14.1 -11.8 69 907 A H > - 0 0 53 -2,-0.4 3,-1.8 3,-0.4 56,-0.0 -0.985 65.6-114.9-157.5 147.4 8.7 13.1 -13.0 70 908 A D T 3 S+ 0 0 108 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.742 116.2 45.9 -55.6 -28.8 11.1 10.2 -12.7 71 909 A N T 3 S+ 0 0 12 50,-0.1 83,-2.6 82,-0.1 2,-0.4 -0.052 97.3 82.1-111.7 29.4 13.7 12.3 -10.8 72 910 A I B < S-f 154 0B 3 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -0.999 89.3-105.3-129.2 131.8 11.2 14.0 -8.3 73 911 A V - 0 0 3 81,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.217 43.4-107.6 -56.7 140.8 10.1 12.2 -5.1 74 912 A K - 0 0 115 -4,-0.1 18,-2.1 -6,-0.1 2,-0.3 -0.603 20.1-137.4 -81.8 125.1 6.5 10.9 -5.4 75 913 A Y E + E 0 91A 46 -2,-0.4 16,-0.2 -8,-0.4 3,-0.1 -0.600 25.0 173.2 -66.0 132.6 3.6 12.5 -3.5 76 914 A K E - 0 0 55 14,-2.8 2,-0.3 1,-0.4 15,-0.2 0.693 49.7 -71.2-111.5 -36.0 1.4 9.8 -2.0 77 915 A G E - E 0 90A 0 13,-1.9 13,-2.7 -72,-0.0 -1,-0.4 -0.989 41.9 -89.7 170.8-165.5 -1.1 11.9 0.1 78 916 A V E -aE 5 89A 5 -74,-2.4 -72,-2.2 -2,-0.3 2,-0.4 -0.963 13.3-141.8-140.7 154.7 -1.8 13.9 3.2 79 917 A C E - E 0 88A 2 9,-2.2 9,-1.9 -2,-0.3 2,-0.4 -0.968 15.8-163.9-110.9 138.8 -2.9 13.7 6.9 80 918 A Y E - E 0 87A 108 -2,-0.4 2,-0.3 -74,-0.4 -72,-0.3 -0.976 10.6-142.3-117.8 135.8 -5.2 16.3 8.5 81 919 A S - 0 0 41 5,-2.0 4,-0.5 -2,-0.4 2,-0.0 -0.704 27.9-104.3 -89.0 149.5 -5.7 16.7 12.2 82 920 A A S S- 0 0 100 -2,-0.3 2,-1.0 2,-0.1 4,-0.2 -0.352 90.8 -0.6 -63.2 148.5 -9.1 17.6 13.8 83 921 A G S S+ 0 0 82 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.578 134.0 37.3 78.6-101.1 -9.6 21.2 15.0 84 922 A R S S- 0 0 136 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.1 0.589 100.3-130.1 -67.4 -12.3 -6.4 23.2 14.4 85 923 A R - 0 0 105 -4,-0.5 2,-0.1 -3,-0.2 -3,-0.1 0.951 30.7-173.3 63.7 55.2 -5.8 21.3 11.1 86 924 A N - 0 0 23 -4,-0.2 -5,-2.0 1,-0.0 2,-0.4 -0.486 15.0-140.7 -70.3 153.3 -2.1 20.3 11.4 87 925 A L E - E 0 80A 2 -7,-0.2 -41,-0.5 -2,-0.1 2,-0.4 -0.937 18.4-168.3-126.8 140.5 -0.8 18.7 8.2 88 926 A K E - E 0 79A 34 -9,-1.9 -9,-2.2 -2,-0.4 2,-0.6 -0.999 16.6-142.0-126.0 136.3 1.5 15.7 7.3 89 927 A L E -DE 44 78A 1 -45,-2.6 -45,-2.8 -2,-0.4 2,-0.5 -0.866 13.9-154.5 -98.6 122.0 2.9 15.1 3.8 90 928 A I E +DE 43 77A 0 -13,-2.7 -14,-2.8 -2,-0.6 -13,-1.9 -0.849 21.4 168.4-101.5 127.6 3.0 11.4 2.9 91 929 A M E -DE 42 75A 12 -49,-3.1 -49,-2.8 -2,-0.5 -16,-0.2 -0.888 41.8 -82.8-131.7 160.9 5.7 10.4 0.3 92 930 A E E -D 41 0A 26 -18,-2.1 2,-0.6 -2,-0.3 -51,-0.2 -0.334 47.0-119.3 -55.8 143.9 7.2 7.3 -1.2 93 931 A Y - 0 0 64 -53,-0.6 -1,-0.1 -20,-0.0 -53,-0.1 -0.846 21.2-159.5 -91.2 120.6 10.0 5.9 1.0 94 932 A L > - 0 0 10 -2,-0.6 3,-1.6 1,-0.1 52,-0.2 -0.872 8.2-156.2-103.8 106.3 13.4 5.8 -0.9 95 933 A P T 3 S+ 0 0 72 0, 0.0 52,-0.1 0, 0.0 -1,-0.1 0.654 81.0 61.3 -70.5 -21.3 15.4 3.3 1.0 96 934 A Y T 3 S- 0 0 97 50,-1.1 51,-0.2 51,-0.2 6,-0.1 0.560 94.3-151.2 -84.0 -6.5 19.0 4.3 0.1 97 935 A G < + 0 0 27 -3,-1.6 49,-3.0 49,-0.4 -1,-0.2 -0.295 43.4 1.0 81.4-155.6 18.5 7.7 1.7 98 936 A S B > -G 145 0B 20 47,-0.2 4,-2.6 1,-0.1 47,-0.3 -0.359 58.1-131.0 -74.0 147.3 20.2 11.0 0.9 99 937 A L H > S+ 0 0 0 45,-2.9 4,-2.5 42,-0.7 5,-0.3 0.839 109.1 59.8 -62.8 -34.2 22.7 11.2 -1.9 100 938 A R H > S+ 0 0 54 41,-1.4 4,-1.9 44,-0.4 -1,-0.2 0.951 111.2 37.9 -58.7 -50.2 25.0 13.1 0.6 101 939 A D H > S+ 0 0 96 40,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.919 115.6 54.0 -68.0 -43.5 25.0 10.1 3.0 102 940 A Y H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.907 112.2 42.5 -56.8 -47.6 25.2 7.5 0.2 103 941 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.874 111.2 55.6 -70.3 -38.1 28.2 9.1 -1.4 104 942 A Q H < S+ 0 0 72 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.883 117.1 37.9 -58.8 -38.0 29.9 9.6 1.9 105 943 A K H < S+ 0 0 89 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.838 125.4 33.1 -82.1 -39.1 29.5 5.9 2.6 106 944 A H H >X S+ 0 0 85 -4,-2.5 3,-2.0 -5,-0.2 4,-0.7 0.088 70.4 127.7-111.9 23.0 30.1 4.3 -0.8 107 945 A K T 3< S+ 0 0 83 -4,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.746 70.5 62.8 -55.2 -25.5 32.7 6.6 -2.4 108 946 A E T 34 S+ 0 0 109 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.775 110.5 35.9 -69.8 -29.4 35.0 3.6 -3.1 109 947 A R T <4 S+ 0 0 92 -3,-2.0 2,-0.7 1,-0.1 -1,-0.2 0.382 96.7 90.5-105.8 2.0 32.4 2.0 -5.5 110 948 A I < - 0 0 10 -4,-0.7 2,-0.1 -3,-0.4 -1,-0.1 -0.861 59.2-171.0-106.8 106.4 31.0 5.1 -7.1 111 949 A D > - 0 0 94 -2,-0.7 4,-2.2 1,-0.1 3,-0.4 -0.328 39.1 -95.3 -93.8 174.7 33.0 6.0 -10.3 112 950 A H H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 122.1 57.5 -59.4 -40.7 32.8 9.2 -12.5 113 951 A I H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 109.5 45.6 -54.8 -43.3 30.4 7.6 -14.9 114 952 A K H > S+ 0 0 40 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.894 109.8 54.1 -68.8 -41.2 27.9 6.9 -12.1 115 953 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.893 108.8 49.9 -58.8 -38.8 28.3 10.4 -10.7 116 954 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.818 105.4 56.1 -71.7 -30.6 27.4 11.8 -14.2 117 955 A Q H X S+ 0 0 34 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.951 111.3 44.2 -61.5 -47.3 24.3 9.6 -14.4 118 956 A Y H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.901 112.4 53.1 -62.0 -41.6 23.2 11.2 -11.1 119 957 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.916 108.9 48.8 -58.9 -47.5 24.2 14.6 -12.4 120 958 A S H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.919 111.5 49.9 -58.6 -46.4 22.1 14.1 -15.6 121 959 A Q H X S+ 0 0 25 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.889 110.0 49.9 -62.0 -42.0 19.1 13.0 -13.5 122 960 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.926 110.6 50.8 -62.1 -45.9 19.4 16.0 -11.2 123 961 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.897 110.1 50.1 -56.3 -42.8 19.5 18.3 -14.3 124 962 A K H X S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.906 109.4 49.9 -67.9 -42.7 16.4 16.7 -15.7 125 963 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.914 114.0 46.5 -57.1 -43.2 14.4 17.0 -12.5 126 964 A M H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.878 109.2 53.0 -70.7 -40.2 15.4 20.7 -12.3 127 965 A E H X S+ 0 0 76 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.930 111.1 48.1 -58.5 -44.1 14.6 21.4 -16.0 128 966 A Y H >X S+ 0 0 40 -4,-2.2 3,-0.9 1,-0.2 4,-0.7 0.949 109.0 52.6 -62.7 -46.9 11.1 19.9 -15.4 129 967 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.3 3,-1.1 0.881 105.7 56.5 -53.7 -42.3 10.7 22.0 -12.3 130 968 A G H ><5S+ 0 0 25 -4,-2.2 3,-1.4 1,-0.2 -1,-0.3 0.795 95.7 63.6 -61.3 -31.0 11.6 25.1 -14.4 131 969 A T H <<5S+ 0 0 88 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.734 103.5 49.2 -68.2 -19.9 8.8 24.3 -16.9 132 970 A K T <<5S- 0 0 81 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.380 117.8-115.5 -94.5 2.0 6.3 24.9 -14.0 133 971 A R T < 5 + 0 0 76 -3,-1.4 30,-2.6 1,-0.3 2,-0.4 0.850 66.4 146.6 62.7 37.0 8.0 28.2 -13.1 134 972 A Y E < -I 162 0C 30 -5,-1.7 2,-0.5 28,-0.2 -1,-0.3 -0.861 38.9-152.4-100.1 141.0 9.1 26.9 -9.7 135 973 A I E -I 161 0C 0 26,-3.0 26,-2.5 -2,-0.4 60,-0.1 -0.968 1.8-161.3-114.8 117.2 12.4 28.0 -8.1 136 974 A H - 0 0 1 -2,-0.5 2,-0.4 24,-0.2 23,-0.3 0.902 10.2-176.5 -68.7 -45.5 13.9 25.3 -5.8 137 975 A R + 0 0 10 57,-0.2 -1,-0.1 1,-0.1 45,-0.1 0.035 69.5 63.3 74.4 -23.1 16.3 27.6 -3.9 138 976 A D + 0 0 14 -2,-0.4 2,-0.5 18,-0.1 5,-0.1 -0.178 59.8 157.0-127.4 36.3 17.8 24.7 -1.8 139 977 A L + 0 0 1 43,-0.1 2,-0.3 3,-0.1 66,-0.1 -0.542 22.6 131.7 -71.7 119.9 19.5 22.4 -4.3 140 978 A A > - 0 0 5 -2,-0.5 3,-1.8 64,-0.1 -40,-0.1 -0.959 69.5-104.8-162.5 155.5 22.1 20.4 -2.3 141 979 A T G > S+ 0 0 0 -2,-0.3 -41,-1.4 1,-0.3 3,-1.3 0.769 116.5 65.7 -63.5 -23.7 23.1 16.7 -2.0 142 980 A R G 3 S+ 0 0 146 1,-0.2 -1,-0.3 -43,-0.2 -41,-0.1 0.707 103.7 47.1 -68.7 -16.9 21.4 16.5 1.4 143 981 A N G < S+ 0 0 25 -3,-1.8 12,-2.8 -5,-0.1 13,-0.6 0.195 96.2 87.3-107.2 11.5 18.0 17.2 -0.3 144 982 A I E < - H 0 154B 0 -3,-1.3 -45,-2.9 10,-0.2 -44,-0.4 -0.917 66.5-149.0-114.7 140.1 18.5 14.6 -3.1 145 983 A L E -GH 98 153B 40 8,-3.5 8,-2.3 -2,-0.4 2,-0.6 -0.815 9.1-137.0-115.3 150.7 17.5 11.0 -2.6 146 984 A V E + H 0 152B 0 -49,-3.0 -50,-1.1 -2,-0.3 -49,-0.4 -0.929 19.1 175.6-106.9 116.5 18.8 7.6 -3.8 147 985 A E E S- 0 0 45 4,-2.3 2,-0.3 -2,-0.6 -51,-0.2 0.902 72.6 -26.3 -82.8 -49.8 16.0 5.2 -4.9 148 986 A N E > S- H 0 151B 53 3,-1.3 3,-1.7 -53,-0.1 -1,-0.4 -0.907 82.6 -74.9-149.6-178.8 18.4 2.6 -6.1 149 987 A E T 3 S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 0.673 129.5 41.0 -56.4 -18.5 22.0 2.4 -7.5 150 988 A N T 3 S+ 0 0 84 1,-0.2 2,-0.3 -33,-0.0 -1,-0.3 0.347 110.5 54.2-114.7 4.8 20.7 3.8 -10.9 151 989 A R E < + H 0 148B 58 -3,-1.7 -4,-2.3 2,-0.0 -3,-1.3 -0.960 49.4 179.4-147.5 129.3 18.2 6.5 -9.9 152 990 A V E - H 0 146B 0 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.857 10.9-162.8-117.2 159.3 18.2 9.6 -7.8 153 991 A K E - H 0 145B 1 -8,-2.3 -8,-3.5 -2,-0.3 2,-0.3 -0.997 31.5-105.6-140.5 145.9 15.4 12.1 -7.2 154 992 A I E -fH 72 144B 1 -83,-2.6 -81,-2.5 -2,-0.3 -10,-0.2 -0.579 42.0-172.5 -68.0 127.9 15.0 15.7 -5.8 155 993 A G + 0 0 11 -12,-2.8 2,-0.3 -2,-0.3 -11,-0.2 0.383 49.7 42.0-118.8 -1.2 13.6 14.9 -2.4 156 994 A D + 0 0 27 -13,-0.6 -1,-0.1 1,-0.0 -18,-0.1 -0.989 38.7 179.5-150.4 146.0 12.5 18.1 -0.6 157 995 A F > + 0 0 3 -2,-0.3 3,-1.2 3,-0.1 -94,-0.1 0.019 40.5 127.9-134.0 25.4 10.7 21.4 -1.7 158 996 A G T 3 S+ 0 0 29 1,-0.3 -98,-0.1 -20,-0.1 -1,-0.1 0.731 82.5 34.9 -62.0 -27.8 10.6 23.3 1.6 159 997 A L T 3 S+ 0 0 20 -23,-0.3 -1,-0.3 -3,-0.1 -24,-0.1 0.420 88.2 131.4-103.9 3.1 12.1 26.5 0.2 160 998 A T < - 0 0 11 -3,-1.2 2,-0.3 -22,-0.1 -24,-0.2 -0.304 36.0-168.1 -67.5 134.4 10.5 26.2 -3.3 161 999 A K E -I 135 0C 34 -26,-2.5 -26,-3.0 -2,-0.0 2,-0.5 -0.844 19.4-127.4-121.3 154.2 8.8 29.4 -4.6 162 1000 A V E -I 134 0C 69 -2,-0.3 -28,-0.2 -28,-0.2 -29,-0.1 -0.903 30.3-121.3-103.5 126.7 6.5 30.0 -7.5 163 1001 A L - 0 0 11 -30,-2.6 7,-0.1 -2,-0.5 5,-0.1 -0.344 30.9-106.1 -60.7 142.6 7.5 32.8 -9.9 164 1002 A P > - 0 0 46 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.367 31.1-112.0 -61.5 153.0 5.1 35.7 -10.3 165 1003 A Q T 3 S+ 0 0 101 1,-0.2 -2,-0.1 -3,-0.1 -32,-0.0 0.838 115.3 40.4 -53.5 -35.6 3.2 35.7 -13.7 166 1004 A D T 3 S+ 0 0 137 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.397 109.7 60.9-100.7 1.7 5.1 38.9 -14.8 167 1005 A K < - 0 0 30 -3,-1.1 3,-0.0 2,-0.1 0, 0.0 -0.912 60.2-145.1-135.1 154.8 8.6 38.3 -13.5 168 1006 A E S S+ 0 0 123 -2,-0.3 27,-0.5 -5,-0.1 2,-0.3 0.266 86.4 50.2-101.9 12.5 11.5 35.9 -14.0 169 1007 A X - 0 0 166 25,-0.1 2,-0.4 26,-0.1 25,-0.2 -0.964 67.7-141.3-141.8 160.3 12.7 36.1 -10.3 170 1008 A X E -J 193 0D 118 23,-2.8 23,-2.4 -2,-0.3 2,-0.6 -0.993 15.3-148.5-121.9 128.6 11.2 35.9 -6.8 171 1009 A K E -J 192 0D 58 -2,-0.4 2,-0.7 21,-0.2 21,-0.2 -0.876 4.1-151.0 -98.9 119.9 12.3 38.2 -4.0 172 1010 A V - 0 0 17 19,-2.2 -2,-0.0 -2,-0.6 0, 0.0 -0.819 11.1-169.1 -89.6 113.5 12.2 36.9 -0.5 173 1011 A K S S+ 0 0 141 -2,-0.7 -1,-0.2 1,-0.3 18,-0.0 0.838 76.3 19.8 -77.1 -36.6 11.7 39.9 1.8 174 1012 A E S S- 0 0 187 17,-0.1 -1,-0.3 0, 0.0 17,-0.0 -0.681 83.1-164.1-136.1 78.7 12.3 38.4 5.2 175 1013 A P + 0 0 62 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.282 17.6 174.7 -69.4 148.1 14.3 35.3 4.9 176 1014 A G + 0 0 66 1,-0.4 -155,-0.0 -155,-0.0 0, 0.0 0.327 69.6 34.9-103.0-109.6 14.8 32.7 7.6 177 1015 A E + 0 0 82 -2,-0.1 -1,-0.4 1,-0.1 0, 0.0 -0.177 69.2 172.8 -46.2 121.9 16.7 29.5 6.5 178 1016 A S - 0 0 43 -3,-0.1 2,-2.2 -40,-0.0 3,-0.2 -0.881 27.5-157.1-140.1 105.7 19.4 30.6 4.0 179 1017 A P > + 0 0 28 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.490 25.2 177.1 -75.5 70.8 21.9 28.0 2.8 180 1018 A I G > + 0 0 35 -2,-2.2 3,-1.0 1,-0.3 8,-0.1 0.720 67.3 64.1 -55.4 -28.3 24.3 30.9 1.9 181 1019 A F G 3 S+ 0 0 31 1,-0.2 -1,-0.3 -3,-0.2 42,-0.0 0.529 107.7 43.7 -77.5 -5.4 27.2 28.8 0.7 182 1020 A W G < S+ 0 0 32 -3,-2.3 -1,-0.2 -45,-0.1 2,-0.2 0.341 95.8 113.6-107.7 -1.7 25.0 27.4 -2.2 183 1021 A Y < - 0 0 11 -3,-1.0 15,-0.1 -4,-0.4 -45,-0.0 -0.507 66.7-123.1 -84.2 137.7 23.6 30.9 -3.0 184 1022 A A >> - 0 0 0 -2,-0.2 4,-1.8 13,-0.1 3,-0.8 -0.343 33.6-108.9 -62.4 151.6 24.2 33.0 -6.1 185 1023 A P H 3> S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.885 119.7 52.8 -53.5 -43.9 25.7 36.5 -5.5 186 1024 A E H 3> S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 6,-1.4 0.733 106.7 53.7 -67.6 -23.9 22.3 38.2 -6.4 187 1025 A S H <> S+ 0 0 4 -3,-0.8 4,-1.1 4,-0.3 -1,-0.2 0.866 111.7 45.4 -73.6 -38.2 20.6 36.0 -3.9 188 1026 A L H < S+ 0 0 21 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.1 0.902 122.6 35.1 -68.4 -41.5 23.0 37.1 -1.2 189 1027 A T H < S+ 0 0 75 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.866 138.5 12.0 -84.1 -39.2 22.9 40.8 -2.1 190 1028 A E H < S- 0 0 110 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.327 91.2-119.5-123.6 3.9 19.2 41.3 -3.1 191 1029 A S < + 0 0 33 -4,-1.1 -19,-2.2 1,-0.2 2,-0.5 0.820 61.1 153.2 51.1 38.7 17.4 38.1 -2.0 192 1030 A K E -J 171 0D 46 -6,-1.4 2,-0.4 -21,-0.2 -21,-0.2 -0.852 23.8-171.0-101.7 126.6 16.5 37.5 -5.7 193 1031 A F E +J 170 0D 5 -23,-2.4 -23,-2.8 -2,-0.5 2,-0.3 -0.953 15.5 147.5-123.9 139.3 15.9 33.9 -6.8 194 1032 A S > - 0 0 15 -2,-0.4 4,-2.0 -25,-0.2 3,-0.3 -0.866 64.2 -82.8-153.2 176.6 15.5 32.6 -10.3 195 1033 A V H > S+ 0 0 56 -27,-0.5 4,-2.0 -2,-0.3 5,-0.1 0.912 128.7 56.7 -56.1 -40.3 16.1 29.6 -12.6 196 1034 A A H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.819 104.4 49.4 -64.1 -34.4 19.6 31.1 -13.0 197 1035 A S H > S+ 0 0 2 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.850 108.3 54.6 -73.3 -32.9 20.3 31.1 -9.2 198 1036 A D H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.891 106.3 52.4 -60.7 -39.0 19.1 27.4 -9.2 199 1037 A V H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.903 106.6 52.6 -64.6 -41.1 21.8 26.8 -11.9 200 1038 A W H X S+ 0 0 4 -4,-1.7 4,-1.2 2,-0.2 3,-0.2 0.949 110.8 47.4 -53.4 -49.3 24.4 28.4 -9.6 201 1039 A S H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.876 105.5 58.7 -62.6 -37.3 23.4 26.0 -6.8 202 1040 A F H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.871 100.7 56.9 -59.2 -38.6 23.5 23.1 -9.2 203 1041 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.893 105.9 49.9 -57.0 -40.3 27.2 24.0 -9.8 204 1042 A V H X S+ 0 0 1 -4,-1.2 4,-2.9 -3,-0.2 -2,-0.2 0.901 108.3 53.0 -67.0 -40.3 27.7 23.6 -6.0 205 1043 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.918 107.4 51.4 -57.6 -44.1 26.0 20.2 -6.1 206 1044 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.910 110.0 49.9 -62.9 -40.1 28.3 19.1 -8.9 207 1045 A Y H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.949 109.3 51.9 -56.4 -50.8 31.3 20.3 -6.7 208 1046 A E H ><>S+ 0 0 9 -4,-2.9 5,-1.7 1,-0.2 3,-0.5 0.916 110.0 49.5 -53.1 -47.7 29.8 18.3 -3.8 209 1047 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.928 111.4 46.9 -60.5 -48.2 29.6 15.1 -5.9 210 1048 A F H 3<5S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.612 109.0 54.2 -79.2 -8.9 33.2 15.4 -7.2 211 1049 A T T X<5S- 0 0 15 -4,-1.5 3,-1.3 -3,-0.5 -1,-0.3 0.400 105.3-131.8 -90.2 -3.2 34.6 16.0 -3.7 212 1050 A Y T < 5 - 0 0 42 -3,-1.5 -3,-0.2 -4,-0.3 -105,-0.1 0.796 60.9 -68.0 52.4 32.1 32.8 12.8 -2.6 213 1051 A I T 3 S+ 0 0 88 -2,-0.4 3,-1.5 1,-0.3 6,-0.3 0.853 97.6 53.8 -57.8 -42.9 34.2 17.2 5.1 216 1054 A S G 3 S+ 0 0 67 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.592 112.2 47.4 -68.3 -12.0 37.3 19.4 4.9 217 1055 A K G < S+ 0 0 61 -3,-1.8 -1,-0.3 -6,-0.1 -2,-0.2 0.211 81.4 130.2-112.7 11.7 36.4 20.3 1.3 218 1056 A S S <> S- 0 0 27 -3,-1.5 4,-2.7 -4,-0.1 5,-0.3 -0.259 72.6-109.6 -63.0 153.4 32.7 21.1 1.9 219 1057 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.899 119.5 49.9 -54.3 -42.4 31.4 24.5 0.5 220 1058 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.944 112.5 46.9 -61.4 -43.9 31.1 25.9 4.0 221 1059 A A H > S+ 0 0 37 -6,-0.3 4,-1.8 2,-0.2 5,-0.1 0.914 116.3 44.0 -61.7 -43.6 34.6 24.9 5.0 222 1060 A E H X S+ 0 0 17 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.906 114.9 46.5 -72.8 -42.9 36.2 26.2 1.8 223 1061 A F H X S+ 0 0 10 -4,-2.5 4,-2.4 -5,-0.3 5,-0.3 0.902 111.9 51.7 -65.5 -40.3 34.4 29.5 1.7 224 1062 A M H X S+ 0 0 30 -4,-2.3 4,-1.8 -5,-0.3 7,-0.2 0.883 110.1 50.9 -63.5 -36.3 35.1 30.1 5.4 225 1063 A R H < S+ 0 0 127 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.952 110.9 48.0 -61.5 -48.8 38.8 29.4 4.6 226 1064 A M H < S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.861 119.8 36.3 -65.0 -37.3 38.7 31.9 1.7 227 1065 A I H < S- 0 0 15 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.704 126.2 -95.8 -85.8 -19.6 37.0 34.7 3.7 228 1066 A G >< - 0 0 17 -4,-1.8 3,-1.9 -5,-0.3 -3,-0.2 0.245 18.1-112.8 107.9 127.2 38.9 33.8 6.9 229 1067 A N T 3 S+ 0 0 124 1,-0.3 -4,-0.1 -4,-0.2 -1,-0.1 0.585 110.5 72.3 -66.9 -9.9 37.7 31.7 9.8 230 1068 A D T 3 S+ 0 0 112 -6,-0.1 -1,-0.3 -3,-0.1 2,-0.3 0.612 73.5 103.5 -75.3 -14.8 37.6 34.8 12.1 231 1069 A K < - 0 0 41 -3,-1.9 2,-0.3 -7,-0.2 -3,-0.1 -0.547 54.0-174.5 -76.7 137.3 34.5 36.1 10.2 232 1070 A Q > - 0 0 158 -2,-0.3 3,-1.7 4,-0.0 4,-0.2 -0.939 37.6 -27.1-135.3 151.9 31.3 35.7 12.2 233 1071 A G T >> S+ 0 0 57 -2,-0.3 3,-2.3 1,-0.3 4,-0.7 -0.123 127.2 1.7 48.6-135.2 27.5 36.2 11.8 234 1072 A Q H 3> S+ 0 0 173 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.713 125.7 68.3 -57.7 -23.6 26.5 38.9 9.3 235 1073 A M H <> S+ 0 0 86 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.770 90.6 62.5 -66.4 -26.3 30.2 39.6 8.5 236 1074 A I H <> S+ 0 0 30 -3,-2.3 4,-2.4 -4,-0.2 -1,-0.2 0.947 105.8 45.3 -61.0 -46.2 30.4 36.1 6.8 237 1075 A V H X S+ 0 0 44 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.919 111.6 52.3 -64.4 -44.2 27.7 37.3 4.3 238 1076 A F H X S+ 0 0 101 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.941 115.2 40.6 -55.3 -49.9 29.5 40.6 3.7 239 1077 A H H X S+ 0 0 53 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.841 111.6 56.0 -73.0 -33.2 32.9 39.0 3.0 240 1078 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.920 107.3 50.8 -62.7 -42.6 31.3 36.2 0.9 241 1079 A I H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 112.0 46.3 -57.7 -49.2 29.7 38.8 -1.3 242 1080 A E H X S+ 0 0 63 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.886 112.0 52.0 -63.4 -40.0 33.1 40.6 -1.8 243 1081 A L H ><>S+ 0 0 35 -4,-2.5 5,-2.7 2,-0.2 3,-0.6 0.946 111.5 45.2 -58.9 -52.0 34.8 37.3 -2.5 244 1082 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.873 108.2 57.5 -64.1 -37.1 32.3 36.2 -5.2 245 1083 A K H 3<5S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 107.1 49.7 -60.6 -31.4 32.4 39.7 -6.8 246 1084 A N T <<5S- 0 0 120 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.163 125.8-101.8 -94.5 17.6 36.2 39.3 -7.2 247 1085 A N T < 5 + 0 0 111 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.665 64.9 160.1 64.2 24.8 35.8 35.8 -8.8 248 1086 A G < + 0 0 17 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.584 18.5 165.6 -65.8 135.0 36.7 34.0 -5.7 249 1087 A R - 0 0 41 -2,-0.3 16,-0.0 -3,-0.1 -5,-0.0 -0.968 43.2 -79.8-149.1 160.1 35.4 30.4 -6.1 250 1088 A L - 0 0 3 -2,-0.3 2,-0.0 1,-0.1 -27,-0.0 -0.348 58.2-110.1 -54.7 144.0 35.5 26.9 -4.8 251 1089 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.285 37.1 -83.5 -75.1 165.3 38.6 25.1 -6.1 252 1090 A R - 0 0 97 1,-0.1 3,-0.1 -2,-0.0 2,-0.1 -0.526 53.4-112.4 -62.1 127.3 38.6 22.2 -8.6 253 1091 A P > - 0 0 5 0, 0.0 3,-2.2 0, 0.0 -42,-0.1 -0.402 42.3 -90.1 -61.4 142.3 38.0 19.0 -6.7 254 1092 A D T 3 S+ 0 0 134 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.316 111.8 6.5 -55.8 124.4 41.0 16.7 -6.6 255 1093 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -44,-0.0 0.559 89.4 151.8 81.7 9.8 40.9 14.4 -9.7 256 1094 A C < - 0 0 7 -3,-2.2 -1,-0.2 1,-0.1 -4,-0.0 -0.571 51.1-111.0 -76.9 131.6 37.9 16.1 -11.3 257 1095 A P >> - 0 0 22 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.354 22.2-123.4 -60.6 142.3 37.8 15.8 -15.1 258 1096 A D H 3> S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 109.6 56.9 -50.1 -47.1 38.4 19.2 -16.9 259 1097 A E H 3> S+ 0 0 72 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.804 110.6 43.4 -60.2 -31.6 35.1 19.0 -18.8 260 1098 A I H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.889 111.9 52.4 -81.1 -42.9 33.1 18.7 -15.6 261 1099 A Y H X S+ 0 0 58 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 106.1 55.6 -58.3 -41.1 35.1 21.4 -13.8 262 1100 A M H X S+ 0 0 95 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.894 105.9 51.3 -58.9 -40.9 34.4 23.7 -16.8 263 1101 A I H X S+ 0 0 1 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.938 108.5 51.5 -61.9 -46.7 30.6 23.1 -16.3 264 1102 A M H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.932 110.5 48.1 -51.3 -52.6 30.9 24.0 -12.6 265 1103 A T H < S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.825 108.7 53.3 -66.1 -31.2 32.7 27.2 -13.4 266 1104 A E H >< S+ 0 0 69 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.859 106.1 53.7 -69.2 -37.9 30.2 28.3 -16.1 267 1105 A C H 3< S+ 0 0 0 -4,-2.0 2,-0.5 1,-0.3 -1,-0.2 0.823 102.6 61.4 -61.2 -32.7 27.3 27.8 -13.6 268 1106 A W T 3< S+ 0 0 6 -4,-1.3 2,-0.4 -5,-0.2 -1,-0.3 -0.214 73.8 141.0 -93.2 43.0 29.2 30.1 -11.2 269 1107 A N < - 0 0 46 -3,-0.8 6,-0.1 -2,-0.5 -3,-0.1 -0.710 51.1-144.8 -82.4 133.0 29.1 33.1 -13.5 270 1108 A N S S+ 0 0 53 -2,-0.4 2,-0.8 -26,-0.1 -1,-0.1 0.857 88.4 79.5 -60.0 -34.4 28.5 36.5 -11.8 271 1109 A N S >> S- 0 0 72 1,-0.2 3,-1.5 2,-0.1 4,-0.5 -0.672 74.5-155.7 -80.2 110.5 26.5 37.5 -15.0 272 1110 A V G >4 S+ 0 0 45 -2,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.868 89.6 55.5 -57.1 -39.6 23.1 35.8 -14.5 273 1111 A N G 34 S+ 0 0 154 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.661 101.2 58.8 -68.8 -19.3 22.3 35.7 -18.2 274 1112 A Q G <4 S+ 0 0 123 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.525 78.5 106.9 -90.2 -8.4 25.5 33.9 -19.0 275 1113 A R S << S- 0 0 18 -3,-1.2 -8,-0.2 -4,-0.5 -75,-0.0 -0.427 79.1-105.2 -67.3 145.2 24.8 30.8 -16.9 276 1114 A P - 0 0 18 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.226 31.3-112.3 -68.1 162.2 23.9 27.7 -18.9 277 1115 A S > - 0 0 45 1,-0.1 4,-2.4 -78,-0.0 5,-0.1 -0.599 19.9-120.5 -88.3 156.1 20.3 26.5 -19.1 278 1116 A F H > S+ 0 0 9 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.854 114.8 57.7 -64.5 -33.8 19.2 23.1 -17.5 279 1117 A R H > S+ 0 0 161 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.950 111.0 42.0 -58.6 -48.4 18.2 21.9 -20.9 280 1118 A D H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.866 111.1 55.7 -69.9 -36.1 21.7 22.5 -22.2 281 1119 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.927 107.4 49.4 -58.1 -46.6 23.3 21.1 -19.1 282 1120 A A H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.909 112.6 48.3 -60.5 -42.2 21.4 17.8 -19.5 283 1121 A L H X S+ 0 0 112 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.949 114.4 45.4 -59.5 -50.2 22.5 17.7 -23.2 284 1122 A R H X S+ 0 0 80 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.915 113.6 48.0 -64.2 -45.5 26.2 18.4 -22.4 285 1123 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.897 111.6 50.1 -63.5 -41.5 26.3 15.9 -19.5 286 1124 A D H X S+ 0 0 51 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.855 109.3 52.3 -67.2 -33.4 24.7 13.2 -21.5 287 1125 A Q H X S+ 0 0 107 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.920 110.0 48.7 -64.7 -43.1 27.3 13.8 -24.3 288 1126 A I H X S+ 0 0 20 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.911 110.4 51.0 -62.2 -43.7 30.1 13.5 -21.8 289 1127 A R H X S+ 0 0 65 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.893 111.1 48.9 -57.9 -42.7 28.6 10.2 -20.5 290 1128 A D H < S+ 0 0 115 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.934 110.0 50.9 -64.0 -46.7 28.4 9.0 -24.1 291 1129 A N H < S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.871 114.9 43.2 -58.1 -40.5 32.1 10.0 -24.7 292 1130 A M H < 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.826 360.0 360.0 -74.6 -34.8 33.1 8.1 -21.6 293 1131 A A < 0 0 112 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.924 360.0 360.0 -86.0 360.0 30.9 5.1 -22.4