==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-APR-13 4K6Z . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.FONG,P.J.LUPARDUS . 281 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14641.0 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 . 4 1.4 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 . 1 0.4 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 . 1 0.4 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 29.2 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+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 1 0 2 1 0 0 1 2 0 0 0 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 2 1 1 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 1 865 A V 0 0 200 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.9 37.6 28.1 -4.8 2 866 A D > - 0 0 87 1,-0.1 3,-1.0 3,-0.1 0, 0.0 -0.892 360.0-151.9-101.0 128.0 36.2 25.8 -2.0 3 867 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.732 99.4 55.2 -71.5 -19.8 37.3 22.1 -2.1 4 868 A T T 3 S+ 0 0 47 70,-0.1 71,-2.5 2,-0.0 2,-0.6 0.428 88.5 96.0 -88.1 -3.8 34.0 21.1 -0.3 5 869 A H B < -a 75 0A 75 -3,-1.0 2,-0.4 69,-0.2 71,-0.2 -0.832 57.3-171.9 -95.0 117.8 32.0 22.8 -3.2 6 870 A F - 0 0 11 69,-1.9 71,-0.2 -2,-0.6 2,-0.2 -0.956 16.2-135.3-116.9 130.3 30.9 20.4 -5.9 7 871 A E > - 0 0 62 -2,-0.4 4,-0.5 69,-0.1 69,-0.0 -0.538 9.2-140.0 -81.2 141.6 29.2 21.3 -9.3 8 872 A K T >4 S+ 0 0 137 -2,-0.2 3,-0.7 69,-0.2 -1,-0.1 0.865 101.3 58.4 -67.3 -40.9 26.2 19.3 -10.6 9 873 A R T 34 S+ 0 0 149 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.888 108.7 44.3 -56.2 -44.9 27.5 19.3 -14.2 10 874 A F T 34 S+ 0 0 55 1,-0.1 21,-2.4 20,-0.1 2,-1.2 0.564 93.0 91.8 -79.6 -10.7 30.8 17.6 -13.2 11 875 A L E << +B 30 0A 16 -3,-0.7 2,-0.5 -4,-0.5 19,-0.2 -0.691 58.9 179.8 -89.4 85.7 28.9 15.1 -11.0 12 876 A K E -B 29 0A 136 17,-1.6 17,-2.4 -2,-1.2 -3,-0.0 -0.814 24.9-123.7 -93.5 128.2 28.2 12.1 -13.4 13 877 A R E +B 28 0A 125 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.222 30.5 172.5 -64.9 153.5 26.4 9.1 -12.0 14 878 A I E - 0 0 71 13,-2.5 2,-0.3 1,-0.3 14,-0.2 0.566 63.8 -22.9-125.5 -59.1 27.8 5.5 -12.1 15 879 A R E -B 27 0A 118 12,-1.2 12,-2.9 0, 0.0 2,-0.4 -0.978 63.9 -98.3-158.7 153.6 25.4 3.3 -10.0 16 880 A D E -B 26 0A 74 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.646 35.1-176.6 -75.2 123.8 22.8 3.6 -7.2 17 881 A L E - 0 0 56 8,-2.0 2,-0.3 -2,-0.4 9,-0.2 0.933 56.5 -12.5 -86.6 -67.7 24.5 2.6 -3.9 18 882 A G E -B 25 0A 39 7,-2.0 7,-2.9 0, 0.0 2,-0.4 -0.969 53.5-127.9-143.8 155.1 21.8 2.7 -1.3 19 883 A E E -B 24 0A 141 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.869 27.1-172.3-103.5 131.9 18.2 3.8 -0.6 20 884 A G - 0 0 16 3,-2.1 130,-0.0 -2,-0.4 5,-0.0 -0.577 39.4 -94.1-112.9 176.9 17.3 5.9 2.4 21 885 A H S S- 0 0 45 -2,-0.2 -1,-0.1 1,-0.1 151,-0.0 0.965 117.1 -5.3 -55.8 -61.0 14.0 7.1 4.0 22 886 A F S S+ 0 0 83 28,-0.1 25,-1.5 24,-0.0 2,-0.1 0.757 128.8 65.4-104.8 -37.0 13.8 10.5 2.2 23 887 A G E - C 0 46A 4 23,-0.2 -3,-2.1 -4,-0.0 2,-0.4 -0.445 64.4-142.1 -94.1 162.5 17.2 10.5 0.4 24 888 A K E -BC 19 45A 54 21,-1.6 21,-2.1 -5,-0.2 2,-0.7 -0.992 12.7-152.0-124.2 123.0 18.8 8.4 -2.4 25 889 A V E +BC 18 44A 21 -7,-2.9 -7,-2.0 -2,-0.4 -8,-2.0 -0.881 21.7 171.4-105.0 112.0 22.6 7.6 -2.3 26 890 A E E -BC 16 43A 20 17,-2.7 17,-2.0 -2,-0.7 2,-0.4 -0.944 34.7-117.0-120.8 141.2 24.3 7.1 -5.7 27 891 A L E +BC 15 42A 1 -12,-2.9 -13,-2.5 -2,-0.4 -12,-1.2 -0.591 39.5 177.1 -74.8 124.6 28.0 6.6 -6.6 28 892 A C E -BC 13 41A 3 13,-2.8 13,-3.4 -2,-0.4 2,-0.6 -0.955 29.2-135.8-128.0 149.0 29.2 9.5 -8.9 29 893 A R E -BC 12 40A 59 -17,-2.4 -17,-1.6 -2,-0.3 2,-1.1 -0.931 19.4-144.7-101.9 120.5 32.6 10.3 -10.3 30 894 A Y E +BC 11 39A 35 9,-2.7 9,-0.6 -2,-0.6 -19,-0.2 -0.820 30.4 169.5 -87.3 100.1 33.2 14.0 -9.8 31 895 A D + 0 0 13 -21,-2.4 5,-0.1 -2,-1.1 -2,-0.1 -0.729 17.1 166.8-116.7 87.1 35.2 14.7 -13.0 32 896 A P S S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 0.860 85.8 50.2 -63.4 -34.6 35.7 18.5 -13.6 33 897 A E S S- 0 0 151 -23,-0.1 -2,-0.1 2,-0.0 -23,-0.0 0.911 106.8-135.4 -65.3 -45.8 38.3 17.8 -16.4 34 898 A G + 0 0 60 -24,-0.1 -3,-0.0 -4,-0.0 -4,-0.0 0.950 69.0 104.8 86.2 64.3 35.9 15.3 -18.0 35 899 A D S S- 0 0 91 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.052 96.7 -88.2-158.8 34.1 37.8 12.1 -19.0 36 900 A N S S+ 0 0 120 -5,-0.1 -6,-0.0 -7,-0.1 -5,-0.0 0.885 102.3 104.0 55.8 45.7 36.9 9.3 -16.4 37 901 A T + 0 0 83 2,-0.1 2,-0.1 -8,-0.0 3,-0.1 0.319 45.4 108.1-134.8 2.8 39.7 10.4 -13.9 38 902 A G S S- 0 0 10 1,-0.1 -7,-0.2 -9,-0.0 2,-0.1 -0.394 79.7 -84.2 -81.0 162.5 37.9 12.2 -11.1 39 903 A E E -C 30 0A 105 -9,-0.6 -9,-2.7 -10,-0.1 2,-0.3 -0.450 40.0-119.3 -72.8 139.5 37.4 10.9 -7.6 40 904 A Q E +C 29 0A 73 -11,-0.3 47,-0.5 -2,-0.1 2,-0.3 -0.650 40.4 179.4 -76.9 128.2 34.5 8.5 -7.0 41 905 A V E -C 28 0A 0 -13,-3.4 -13,-2.8 -2,-0.3 2,-0.4 -0.963 31.2-117.0-135.3 149.1 32.2 10.0 -4.3 42 906 A A E -CD 27 85A 6 43,-1.7 43,-3.1 -2,-0.3 2,-0.5 -0.756 33.0-159.6 -90.3 130.4 28.9 9.0 -2.6 43 907 A V E -CD 26 84A 0 -17,-2.0 -17,-2.7 -2,-0.4 2,-0.6 -0.973 9.7-163.4-122.6 122.0 26.1 11.4 -3.4 44 908 A K E +CD 25 83A 5 39,-2.9 39,-2.5 -2,-0.5 2,-0.4 -0.915 19.1 164.2-106.7 117.0 22.8 11.8 -1.4 45 909 A S E -C 24 0A 17 -21,-2.1 -21,-1.6 -2,-0.6 37,-0.1 -0.999 37.8-109.5-135.5 134.1 20.0 13.7 -3.1 46 910 A L E -C 23 0A 39 35,-0.5 -23,-0.2 -2,-0.4 -24,-0.0 -0.253 34.9-109.0 -60.3 146.2 16.3 13.8 -2.1 47 911 A K 0 0 92 -25,-1.5 -1,-0.1 1,-0.1 0, 0.0 -0.596 360.0 360.0 -77.2 133.7 13.7 12.0 -4.3 48 912 A P 0 0 183 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.210 360.0 360.0 -86.2 360.0 11.4 14.4 -6.3 49 ! 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 50 918 A H >> 0 0 137 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 57.4 12.1 17.9 2.5 51 919 A I H 3> + 0 0 80 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.780 360.0 64.8 -48.5 -45.0 15.1 20.1 1.9 52 920 A A H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 105.3 45.6 -51.2 -46.1 15.1 21.5 5.6 53 921 A D H <> S+ 0 0 65 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.924 113.9 45.9 -65.7 -50.4 15.9 18.0 6.9 54 922 A L H X S+ 0 0 6 -4,-1.4 4,-2.6 2,-0.2 3,-0.2 0.956 114.2 50.5 -57.2 -50.7 18.7 17.2 4.3 55 923 A K H X S+ 0 0 114 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.876 111.7 47.7 -50.9 -48.0 20.2 20.7 5.0 56 924 A K H X S+ 0 0 115 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.861 110.6 51.5 -63.2 -38.5 20.0 19.9 8.8 57 925 A E H X S+ 0 0 10 -4,-2.4 4,-2.9 -3,-0.2 3,-0.4 0.919 106.9 55.2 -65.1 -44.1 21.7 16.4 8.2 58 926 A I H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.871 107.7 47.5 -58.6 -41.5 24.5 18.1 6.2 59 927 A E H X S+ 0 0 92 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.781 113.1 50.0 -74.8 -21.6 25.4 20.5 9.1 60 928 A I H >< S+ 0 0 12 -4,-1.1 3,-0.7 -3,-0.4 -2,-0.2 0.968 115.7 40.6 -74.2 -52.2 25.4 17.6 11.5 61 929 A L H >< S+ 0 0 1 -4,-2.9 3,-2.2 1,-0.2 11,-0.3 0.867 107.6 62.3 -61.7 -43.3 27.7 15.4 9.3 62 930 A R H 3< S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.775 108.2 44.2 -54.2 -32.0 30.0 18.3 8.4 63 931 A N T << S+ 0 0 75 -3,-0.7 2,-0.5 -4,-0.6 -1,-0.3 0.049 91.3 100.7-105.2 25.8 30.9 18.7 12.1 64 932 A L < + 0 0 11 -3,-2.2 2,-0.4 6,-0.1 8,-0.3 -0.949 42.2 172.8-110.3 121.1 31.4 15.0 12.9 65 933 A Y + 0 0 165 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.870 25.2 125.5-133.7 95.0 35.0 13.9 12.9 66 934 A H > - 0 0 49 -2,-0.4 3,-1.6 3,-0.4 -2,-0.0 -0.970 63.7-122.2-151.4 142.8 35.4 10.3 14.1 67 935 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 48,-0.0 0.710 113.5 47.1 -63.5 -20.6 37.1 7.3 12.6 68 936 A N T 3 S+ 0 0 2 47,-0.1 80,-2.8 79,-0.1 2,-0.4 -0.100 97.7 84.4-111.3 29.2 33.9 5.2 12.6 69 937 A I B < S-f 148 0B 3 -3,-1.6 -3,-0.4 78,-0.3 80,-0.2 -0.997 90.3-105.9-131.2 126.6 31.7 8.0 11.1 70 938 A V - 0 0 2 78,-3.0 2,-0.4 -2,-0.4 -6,-0.1 -0.209 39.9-110.9 -52.5 134.5 31.6 8.5 7.3 71 939 A K - 0 0 117 -4,-0.1 15,-2.3 -6,-0.1 2,-0.3 -0.622 20.5-133.3 -78.7 131.5 33.6 11.5 6.1 72 940 A Y E - E 0 85A 40 -2,-0.4 13,-0.3 -8,-0.3 3,-0.1 -0.590 20.4-175.2 -73.3 134.0 31.6 14.4 4.7 73 941 A K E - 0 0 57 11,-3.1 2,-0.3 1,-0.4 12,-0.2 0.675 49.4 -86.8-105.9 -29.7 33.3 15.5 1.4 74 942 A G E - E 0 84A 0 10,-2.0 10,-2.6 2,-0.0 -1,-0.4 -0.991 42.8 -76.8 156.4-157.0 31.1 18.6 0.8 75 943 A I E -aE 5 83A 35 -71,-2.5 -69,-1.9 -2,-0.3 2,-0.3 -0.684 13.6-143.5-131.9-178.0 27.9 19.9 -0.8 76 944 A C E - E 0 82A 7 6,-0.6 6,-1.8 -2,-0.2 2,-0.3 -0.867 28.9-162.4-153.8 108.6 26.2 20.7 -4.1 77 945 A T E E 0 81A 70 -2,-0.3 4,-0.2 -71,-0.2 -69,-0.2 -0.788 360.0 360.0-110.2 155.3 23.8 23.8 -4.1 78 946 A E 0 0 198 2,-2.5 3,-0.1 -2,-0.3 -1,-0.1 -0.449 360.0 360.0 172.7 360.0 20.9 25.3 -6.3 79 ! 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 80 951 A G 0 0 60 0, 0.0 -2,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 107.7 18.0 22.7 -3.6 81 952 A I E - E 0 77A 31 -4,-0.2 -35,-0.5 -3,-0.1 2,-0.4 -0.989 360.0-156.2-156.2 149.9 21.0 20.8 -2.1 82 953 A K E - E 0 76A 37 -6,-1.8 -6,-0.6 -2,-0.3 2,-0.4 -1.000 22.5-129.2-130.8 130.2 22.9 17.4 -2.4 83 954 A L E -DE 44 75A 0 -39,-2.5 -39,-2.9 -2,-0.4 2,-0.6 -0.688 18.5-154.3 -81.3 124.1 25.1 15.8 0.4 84 955 A I E +DE 43 74A 0 -10,-2.6 -11,-3.1 -2,-0.4 -10,-2.0 -0.913 23.3 168.2-103.7 114.5 28.6 14.8 -0.8 85 956 A M E -DE 42 72A 7 -43,-3.1 -43,-1.7 -2,-0.6 -13,-0.2 -0.670 39.0 -88.4-114.9 171.1 30.1 11.9 1.2 86 957 A E - 0 0 21 -15,-2.3 2,-0.5 -2,-0.2 -45,-0.1 -0.450 40.4-121.9 -76.8 156.7 33.2 9.6 0.8 87 958 A F - 0 0 35 -47,-0.5 -47,-0.1 -2,-0.1 -1,-0.0 -0.897 18.3-164.2-103.2 125.5 32.7 6.3 -1.1 88 959 A L > - 0 0 9 -2,-0.5 3,-1.8 1,-0.1 52,-0.2 -0.949 8.1-157.2-110.0 102.3 33.5 3.0 0.8 89 960 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 0.747 86.6 64.4 -57.0 -25.6 33.8 0.3 -2.0 90 961 A S T 3 S- 0 0 54 50,-0.6 51,-0.1 51,-0.2 5,-0.1 0.636 95.9-154.6 -73.2 -12.6 33.1 -2.7 0.4 91 962 A G < - 0 0 18 -3,-1.8 49,-3.1 49,-0.3 -1,-0.2 -0.336 33.8 -22.3 76.4-156.4 29.6 -1.2 0.9 92 963 A S B >> -G 139 0B 9 47,-0.3 4,-1.9 1,-0.1 3,-1.1 -0.479 57.6-111.8 -89.2 161.0 27.3 -1.8 3.8 93 964 A L H 3> S+ 0 0 0 45,-2.8 4,-2.7 42,-0.7 43,-0.2 0.862 112.5 73.6 -55.5 -35.1 27.3 -4.6 6.4 94 965 A K H 34 S+ 0 0 120 41,-0.8 -1,-0.2 44,-0.3 42,-0.1 0.780 114.7 18.1 -46.6 -41.8 23.9 -5.7 4.8 95 966 A E H <> S+ 0 0 101 -3,-1.1 4,-0.9 2,-0.1 -1,-0.2 0.547 123.7 57.2-110.0 -17.9 25.7 -7.0 1.6 96 967 A Y H X S+ 0 0 13 -4,-1.9 4,-2.4 2,-0.1 -3,-0.2 0.877 101.5 56.4 -81.3 -39.6 29.3 -7.4 2.9 97 968 A L H < S+ 0 0 0 -4,-2.7 7,-0.2 2,-0.2 110,-0.2 0.926 111.1 39.8 -62.3 -50.5 28.5 -9.8 5.8 98 969 A P H >4 S+ 0 0 44 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.971 117.9 52.0 -62.4 -45.6 26.7 -12.5 3.7 99 970 A K H 3< S+ 0 0 174 -4,-0.9 -2,-0.2 1,-0.2 3,-0.2 0.793 119.2 32.3 -53.4 -43.2 29.4 -12.1 0.9 100 971 A N T 3X S+ 0 0 22 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 -0.131 71.9 133.5-115.3 37.3 32.5 -12.5 3.3 101 972 A K T <4 S+ 0 0 105 -3,-1.2 3,-0.2 1,-0.2 -1,-0.2 0.856 79.0 48.6 -49.9 -45.7 31.2 -15.0 6.0 102 973 A N T 4 S+ 0 0 172 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.892 111.3 49.0 -63.4 -44.9 34.4 -17.0 5.7 103 974 A K T 4 S+ 0 0 107 -3,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.687 106.9 63.6 -66.6 -30.6 36.7 -13.9 5.9 104 975 A I < + 0 0 1 -4,-1.6 2,-0.2 -3,-0.2 -1,-0.1 -0.922 64.2 175.0-108.5 123.2 34.9 -12.5 9.1 105 976 A N > - 0 0 102 -2,-0.5 4,-2.5 1,-0.0 3,-0.2 -0.558 48.4 -79.8-116.4-179.1 34.8 -14.3 12.4 106 977 A L H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.826 125.6 50.1 -49.3 -47.7 33.6 -13.7 16.0 107 978 A K H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 113.5 46.7 -60.5 -43.6 36.5 -11.4 17.1 108 979 A Q H > S+ 0 0 7 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.881 110.1 54.4 -64.0 -39.9 36.1 -9.3 13.9 109 980 A Q H X S+ 0 0 9 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.904 112.0 43.2 -62.3 -40.0 32.3 -9.2 14.6 110 981 A L H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.733 109.0 57.1 -79.0 -23.0 33.0 -7.8 18.2 111 982 A K H X S+ 0 0 77 -4,-1.7 4,-2.0 2,-0.2 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108.0 54.9 -59.8 -43.0 29.2 7.6 21.8 122 993 A Y H X S+ 0 0 30 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.928 111.0 45.3 -54.2 -50.5 30.8 10.5 19.8 123 994 A L H < S+ 0 0 2 -4,-1.9 5,-0.4 2,-0.2 -1,-0.2 0.872 116.8 46.3 -60.1 -43.1 27.3 11.4 18.4 124 995 A G H >< S+ 0 0 12 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.915 108.1 52.7 -67.0 -49.2 25.7 11.1 21.9 125 996 A S H 3< S+ 0 0 74 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.682 106.7 56.7 -61.4 -18.3 28.4 13.1 23.7 126 997 A R T 3< S- 0 0 142 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.087 123.8-109.6 -99.5 18.5 27.7 15.8 21.1 127 998 A Q S < S+ 0 0 138 -3,-2.1 30,-0.6 1,-0.2 2,-0.3 0.958 74.0 129.6 46.1 72.2 24.0 15.7 22.2 128 999 A Y E -I 156 0C 63 -5,-0.4 2,-0.5 28,-0.2 28,-0.2 -0.973 46.4-145.9-148.5 141.1 22.5 14.1 19.0 129 1000 A V E -I 155 0C 0 26,-3.0 26,-2.4 -2,-0.3 60,-0.1 -0.967 2.3-156.2-121.1 124.6 20.1 11.1 18.7 130 1001 A H - 0 0 0 -2,-0.5 23,-0.3 24,-0.2 -1,-0.1 0.912 10.3-175.3 -64.1 -54.5 20.4 8.7 15.7 131 1002 A R S S+ 0 0 15 57,-0.2 -1,-0.1 1,-0.1 23,-0.1 0.421 72.3 62.4 67.8 5.1 16.9 7.2 15.5 132 1003 A D + 0 0 1 18,-0.1 2,-1.1 40,-0.1 20,-0.1 -0.056 59.2 154.9-150.7 38.1 17.9 4.8 12.6 133 1004 A L + 0 0 0 43,-0.1 66,-0.4 40,-0.1 2,-0.3 -0.621 22.9 129.8 -84.6 99.0 20.6 2.4 13.9 134 1005 A A S > S- 0 0 0 -2,-1.1 3,-2.4 64,-0.1 62,-0.1 -0.936 70.7 -99.8-140.9 158.1 20.5 -0.8 11.8 135 1006 A A G > S+ 0 0 0 -2,-0.3 3,-1.0 1,-0.3 -41,-0.8 0.657 117.6 65.5 -55.0 -22.8 23.1 -2.9 9.9 136 1007 A R G 3 S+ 0 0 74 1,-0.2 -1,-0.3 -43,-0.2 -3,-0.1 0.641 98.9 55.6 -76.2 -12.8 22.1 -1.3 6.5 137 1008 A N G < S+ 0 0 11 -3,-2.4 12,-2.7 -5,-0.1 13,-0.6 0.243 90.1 88.9-102.4 13.9 23.4 2.1 7.9 138 1009 A V E < - H 0 148B 0 -3,-1.0 -45,-2.8 10,-0.2 -44,-0.3 -0.955 63.0-159.4-118.3 116.4 26.9 0.7 8.7 139 1010 A L E -GH 92 147B 38 8,-2.8 8,-2.6 -2,-0.5 2,-0.6 -0.609 17.4-122.8 -93.0 150.0 29.5 0.9 5.9 140 1011 A V E + H 0 146B 0 -49,-3.1 -50,-0.6 6,-0.2 -49,-0.3 -0.868 24.3 179.0 -98.7 116.0 32.7 -1.2 5.7 141 1012 A E E S- 0 0 65 4,-2.2 2,-0.3 -2,-0.6 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A K < - 0 0 73 -3,-0.9 -1,-0.2 2,-0.1 -4,-0.0 -0.657 64.8-147.8 -90.8 143.3 15.4 17.6 28.1 162 1033 A E S S+ 0 0 144 -2,-0.3 27,-0.6 -3,-0.1 2,-0.3 0.348 78.6 25.3 -87.4 -0.3 16.7 14.0 28.1 163 1034 A X E S-J 188 0D 98 25,-0.2 -5,-0.9 -5,-0.1 2,-0.5 -0.916 73.6-107.9-154.4 176.2 15.1 13.4 24.7 164 1035 A X E -J 187 0D 99 23,-2.5 23,-3.1 -2,-0.3 2,-0.7 -0.980 36.0-131.8-113.8 123.2 13.8 14.6 21.3 165 1036 A T E -J 186 0D 65 -2,-0.5 2,-0.4 21,-0.2 21,-0.2 -0.723 24.8-131.7 -83.9 113.3 10.0 14.5 21.0 166 1037 A V + 0 0 17 19,-1.4 3,-0.1 -2,-0.7 -1,-0.1 -0.551 29.4 175.2 -70.6 118.1 9.2 12.7 17.6 167 1038 A K + 0 0 168 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.821 67.9 27.8 -84.4 -95.8 6.6 14.4 15.4 168 1039 A D + 0 0 87 1,-0.1 -1,-0.3 3,-0.0 3,-0.0 -0.457 59.5 161.9 -70.3 134.7 6.3 12.5 12.1 169 1040 A D > + 0 0 74 -2,-0.2 3,-0.9 -3,-0.1 -1,-0.1 -0.156 23.8 131.5-145.7 42.1 7.2 8.8 12.3 170 1041 A R T 3 S+ 0 0 220 1,-0.2 -1,-0.0 0, 0.0 -2,-0.0 0.811 85.0 32.7 -66.8 -32.8 5.6 7.3 9.1 171 1042 A D T 3 S+ 0 0 64 2,-0.1 -1,-0.2 -3,-0.0 -150,-0.0 -0.074 80.6 146.9-119.9 36.4 8.9 5.3 8.2 172 1043 A S < - 0 0 23 -3,-0.9 2,-1.9 1,-0.1 3,-0.1 -0.517 56.3-123.0 -67.0 125.1 10.2 4.5 11.7 173 1044 A P > - 0 0 21 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.549 36.1-175.5 -75.8 85.6 12.1 1.1 11.7 174 1045 A V G > S+ 0 0 37 -2,-1.9 3,-1.3 1,-0.2 7,-0.1 0.788 73.1 57.7 -53.7 -42.3 9.8 -0.4 14.5 175 1046 A F G 3 S+ 0 0 15 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.739 109.7 47.1 -67.1 -19.1 11.5 -3.8 14.9 176 1047 A W G < S+ 0 0 34 -3,-1.2 -1,-0.3 2,-0.1 22,-0.2 0.518 98.9 105.8 -91.7 -10.8 14.8 -1.9 15.7 177 1048 A Y < - 0 0 9 -3,-1.3 15,-0.1 -4,-0.4 -3,-0.0 -0.472 67.7-127.3 -86.0 145.6 12.9 0.5 18.2 178 1049 A A >> - 0 0 0 -2,-0.2 4,-1.2 13,-0.1 3,-0.9 -0.350 32.3-110.5 -75.2 159.6 12.8 0.6 22.0 179 1050 A P H 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.885 114.3 64.0 -69.7 -33.8 9.4 0.6 23.7 180 1051 A E H 3> S+ 0 0 4 1,-0.3 6,-1.0 83,-0.3 4,-0.8 0.705 108.7 44.2 -55.4 -25.2 9.5 4.3 24.9 181 1052 A C H <4 S+ 0 0 9 -3,-0.9 -1,-0.3 4,-0.2 4,-0.1 0.751 113.3 50.0 -89.0 -34.5 9.5 5.1 21.2 182 1053 A L H < S+ 0 0 23 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.1 0.848 128.2 22.0 -74.0 -35.3 6.8 2.6 20.4 183 1054 A M H < S+ 0 0 92 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.905 136.4 26.4 -96.0 -62.1 4.5 4.0 23.3 184 1055 A Q S < S- 0 0 106 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.631 86.7-140.4 -80.6 -19.6 5.5 7.6 24.2 185 1056 A S + 0 0 36 -5,-0.4 -19,-1.4 -6,-0.3 2,-0.4 0.843 60.7 126.1 56.2 39.8 7.0 8.5 20.7 186 1057 A K E -J 165 0D 35 -6,-1.0 2,-0.5 -21,-0.2 -21,-0.2 -0.999 55.2-137.3-126.5 124.1 9.9 10.4 22.4 187 1058 A F E -J 164 0D 1 -23,-3.1 -23,-2.5 -2,-0.4 2,-0.3 -0.792 21.2-176.0 -95.2 124.6 13.5 9.4 21.4 188 1059 A Y E >> -J 163 0D 27 -2,-0.5 3,-1.3 -25,-0.2 4,-1.0 -0.762 39.9-116.3-111.1 156.5 16.2 9.1 24.1 189 1060 A I H >> S+ 0 0 61 -27,-0.6 3,-0.9 1,-0.3 4,-0.8 0.915 119.2 62.5 -57.8 -39.0 20.0 8.4 23.7 190 1061 A A H 3> S+ 0 0 14 1,-0.3 4,-1.1 2,-0.2 3,-0.4 0.767 95.0 59.9 -56.8 -27.9 19.2 5.2 25.6 191 1062 A S H <> S+ 0 0 0 -3,-1.3 4,-1.9 1,-0.2 3,-0.4 0.888 96.6 58.8 -70.7 -35.9 16.8 4.2 22.7 192 1063 A D H S+ 0 0 18 -4,-2.1 5,-3.1 2,-0.2 -2,-0.2 0.860 109.7 53.5 -62.0 -40.1 22.2 -8.7 12.6 203 1074 A L H ><5S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.979 109.4 46.5 -59.0 -53.9 26.0 -8.5 12.8 204 1075 A L H 3<5S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.655 114.4 48.4 -64.2 -20.3 26.2 -12.0 14.5 205 1076 A T T 3<5S- 0 0 12 -4,-1.2 3,-0.4 -5,-0.1 -1,-0.3 0.171 113.1-119.1-104.4 11.9 23.8 -13.5 11.9 206 1077 A Y T < 5 - 0 0 51 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.748 64.4 -65.7 55.4 31.1 25.8 -11.9 9.0 207 1078 A C S - 0 0 54 -3,-0.4 3,-2.0 -6,-0.2 -1,-0.2 -0.812 26.1-148.3 -94.9 120.3 20.6 -12.9 6.9 209 1080 A S G > S+ 0 0 91 -2,-0.6 3,-1.9 1,-0.3 6,-0.3 0.873 98.0 55.2 -43.5 -53.9 17.2 -12.2 5.4 210 1081 A D G 3 S+ 0 0 147 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.499 121.0 31.0 -66.6 -6.5 15.6 -15.4 6.8 211 1082 A S G < S+ 0 0 30 -3,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 -0.030 86.5 141.7-140.8 27.9 16.7 -14.4 10.3 212 1083 A S <> - 0 0 30 -3,-1.9 4,-2.2 -5,-0.1 5,-0.2 -0.302 68.0-104.6 -67.8 154.9 16.5 -10.6 10.1 213 1084 A P H > S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.744 121.1 52.6 -59.6 -23.3 15.2 -8.8 13.2 214 1085 A M H >> S+ 0 0 97 2,-0.2 4,-2.1 3,-0.1 3,-0.5 0.985 110.6 45.5 -69.4 -61.1 11.8 -8.2 11.5 215 1086 A A H 3> S+ 0 0 38 -6,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.856 112.7 49.9 -48.1 -50.9 11.2 -11.9 10.5 216 1087 A L H 3X S+ 0 0 34 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.839 111.7 48.1 -64.3 -34.3 12.2 -13.3 13.9 217 1088 A F H X< S+ 0 0 6 -4,-1.0 3,-0.8 -3,-0.5 -1,-0.2 0.860 107.7 56.3 -72.4 -36.3 9.9 -10.8 15.8 218 1089 A L H >X S+ 0 0 40 -4,-2.1 4,-3.1 1,-0.2 3,-1.5 0.822 96.2 64.1 -62.6 -34.8 7.0 -11.8 13.3 219 1090 A K H 3< S+ 0 0 193 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 107.7 44.0 -57.8 -30.7 7.5 -15.5 14.3 220 1091 A M T << S+ 0 0 74 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.416 130.5 21.0 -92.5 -6.0 6.4 -14.3 17.8 221 1092 A I T <4 S- 0 0 15 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.2 0.624 105.6-105.1-133.2 -37.1 3.4 -12.0 16.6 222 1093 A G >< - 0 0 15 -4,-3.1 3,-0.5 -5,-0.1 2,-0.5 0.211 11.2-115.5 112.8 134.6 2.2 -13.0 13.1 223 1094 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.156 102.2 68.7 -92.9 44.1 2.5 -11.6 9.5 224 1095 A T T 3 S+ 0 0 115 -2,-0.5 -2,-0.0 -3,-0.1 0, 0.0 0.003 73.4 82.1-144.1 27.9 -1.3 -10.9 9.1 225 1096 A H X + 0 0 46 -3,-0.5 3,-2.5 1,-0.1 2,-0.9 0.441 55.6 178.6-121.2 1.6 -2.0 -8.0 11.6 226 1097 A G T 3 S+ 0 0 69 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 -0.112 79.4 20.4 37.7 -78.8 -0.9 -4.9 9.6 227 1098 A Q T 3 S+ 0 0 182 -2,-0.9 -1,-0.3 1,-0.1 4,-0.2 0.270 124.3 56.1-101.8 9.4 -1.7 -2.0 12.0 228 1099 A M S <> S+ 0 0 102 -3,-2.5 4,-2.7 2,-0.1 5,-0.3 0.610 81.7 91.2-107.5 -22.6 -1.7 -4.2 15.2 229 1100 A T H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.833 91.3 42.4 -35.3 -57.7 1.9 -5.5 14.4 230 1101 A V H > S+ 0 0 50 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.882 112.7 52.5 -62.5 -48.0 3.4 -2.6 16.5 231 1102 A T H > S+ 0 0 76 -4,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.916 111.4 45.8 -60.2 -45.6 0.8 -2.9 19.4 232 1103 A R H >X S+ 0 0 109 -4,-2.7 4,-2.2 1,-0.2 3,-0.6 0.919 109.8 56.5 -61.0 -45.5 1.4 -6.7 19.8 233 1104 A L H 3X S+ 0 0 2 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.870 101.3 56.3 -52.9 -44.7 5.2 -6.0 19.7 234 1105 A V H 3X S+ 0 0 10 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.857 110.5 45.5 -56.9 -40.0 4.9 -3.6 22.6 235 1106 A N H S+ 0 0 12 -4,-2.2 5,-1.6 1,-0.3 4,-0.9 0.822 112.6 43.8 -53.5 -31.8 5.9 -9.1 23.8 237 1108 A L H <5S+ 0 0 2 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.814 109.3 54.9 -81.5 -35.0 8.5 -6.7 25.2 238 1109 A K H <5S+ 0 0 119 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.852 106.1 54.9 -63.8 -36.4 6.4 -5.8 28.4 239 1110 A E H <5S- 0 0 127 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.870 123.2-107.2 -61.9 -44.0 6.2 -9.6 29.0 240 1111 A G T <5 + 0 0 34 -4,-0.9 -3,-0.2 1,-0.3 2,-0.1 0.287 70.0 141.2 127.8 -2.0 10.1 -9.9 28.9 241 1112 A K < + 0 0 116 -5,-1.6 -1,-0.3 3,-0.0 2,-0.3 -0.425 23.3 178.3 -73.3 141.7 10.6 -11.6 25.6 242 1113 A R - 0 0 34 -2,-0.1 16,-0.1 1,-0.1 -5,-0.0 -0.853 41.3 -69.1-135.2 166.7 13.6 -10.6 23.3 243 1114 A L - 0 0 1 -2,-0.3 -1,-0.1 1,-0.1 -26,-0.0 -0.185 65.0 -97.1 -54.1 149.1 15.0 -11.8 19.9 244 1115 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.129 44.1 -84.5 -69.2 170.9 16.6 -15.3 20.0 245 1116 A C - 0 0 55 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.562 50.4-113.4 -71.4 133.7 20.4 -16.0 20.4 246 1117 A P > - 0 0 4 0, 0.0 3,-1.7 0, 0.0 2,-0.5 -0.317 42.0 -88.3 -64.2 152.0 22.2 -15.9 17.0 247 1118 A P T 3 S+ 0 0 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.556 113.0 7.3 -71.2 118.8 23.6 -19.3 15.8 248 1119 A N T 3 S+ 0 0 164 -2,-0.5 -142,-0.1 1,-0.3 -43,-0.0 0.597 93.6 137.7 85.1 26.4 27.1 -19.8 17.2 249 1120 A C < - 0 0 17 -3,-1.7 -1,-0.3 1,-0.0 -4,-0.0 -0.811 54.2-120.7 -95.6 132.5 27.0 -16.7 19.4 250 1121 A P > - 0 0 35 0, 0.0 4,-2.2 0, 0.0 3,-0.1 -0.302 16.8-120.9 -69.1 160.4 28.5 -17.1 23.0 251 1122 A D H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.890 112.0 56.7 -66.9 -42.0 26.3 -16.5 26.0 252 1123 A E H > S+ 0 0 119 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.811 111.1 45.2 -59.6 -32.6 28.6 -13.7 27.4 253 1124 A V H >> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 3,-1.3 0.947 112.2 50.9 -73.3 -52.1 28.1 -11.8 24.1 254 1125 A Y H 3X S+ 0 0 27 -4,-2.2 4,-2.7 1,-0.3 -2,-0.2 0.783 105.5 57.3 -57.8 -29.4 24.3 -12.5 24.1 255 1126 A Q H 3X S+ 0 0 72 -4,-2.3 4,-1.6 2,-0.2 -1,-0.3 0.752 105.8 49.1 -74.7 -24.4 24.1 -11.2 27.7 256 1127 A L H << S+ 0 0 31 -3,-1.3 -2,-0.2 -4,-0.6 4,-0.2 0.850 113.2 48.1 -77.0 -36.0 25.6 -7.9 26.5 257 1128 A M H >< S+ 0 0 0 -4,-1.8 3,-1.0 2,-0.2 -2,-0.2 0.909 112.0 48.9 -67.1 -45.0 22.9 -8.0 23.7 258 1129 A R H >< S+ 0 0 91 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.865 106.6 55.5 -63.1 -40.2 20.2 -8.8 26.3 259 1130 A K G >< S+ 0 0 140 -4,-1.6 10,-0.7 1,-0.3 3,-0.6 0.487 94.1 69.6 -74.7 -2.7 21.3 -5.9 28.6 260 1131 A C G < S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.2 -63,-0.2 0.433 96.0 58.0 -84.9 -6.9 20.9 -3.6 25.5 261 1132 A W G < + 0 0 4 -3,-1.8 2,-0.9 -64,-0.1 -1,-0.2 -0.054 63.1 148.1-121.7 35.1 17.1 -4.3 26.1 262 1133 A E < - 0 0 99 -3,-0.6 6,-0.3 1,-0.1 5,-0.1 -0.612 52.6-130.8 -70.8 102.5 16.6 -3.1 29.7 263 1134 A F S S+ 0 0 42 -2,-0.9 -83,-0.3 -26,-0.1 -1,-0.1 0.567 84.6 69.5 -32.7 -31.1 12.9 -1.9 29.3 264 1135 A Q > - 0 0 96 1,-0.1 4,-1.9 -85,-0.1 -2,-0.1 -0.809 68.8-148.8-101.1 139.5 13.5 1.6 30.9 265 1136 A P T 4 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.890 102.6 49.2 -68.1 -39.5 15.6 4.5 29.3 266 1137 A S T 4 S+ 0 0 103 1,-0.2 -2,-0.0 -76,-0.0 0, 0.0 0.822 117.7 43.5 -64.4 -33.1 16.8 5.9 32.7 267 1138 A N T 4 S+ 0 0 99 -5,-0.1 -1,-0.2 2,-0.0 -4,-0.1 0.739 94.6 101.9 -80.7 -36.0 17.8 2.2 33.7 268 1139 A R S < S- 0 0 16 -4,-1.9 -8,-0.1 -6,-0.3 -78,-0.1 -0.208 75.3-102.2 -62.9 147.4 19.4 1.2 30.3 269 1140 A T - 0 0 31 -10,-0.7 2,-0.2 1,-0.1 -76,-0.1 0.037 29.3-129.6 -59.4 164.7 23.2 1.0 29.7 270 1141 A S > - 0 0 64 1,-0.1 4,-1.2 -77,-0.1 -1,-0.1 -0.567 27.6-103.4-109.9 177.4 25.3 3.6 27.8 271 1142 A F H > S+ 0 0 4 1,-0.2 4,-2.2 -2,-0.2 3,-0.4 0.950 117.8 59.2 -70.4 -43.9 27.8 3.1 24.9 272 1143 A Q H > S+ 0 0 100 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.782 105.7 50.8 -50.5 -35.9 30.9 3.5 27.2 273 1144 A N H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.899 109.8 48.9 -71.1 -41.6 29.7 0.5 29.3 274 1145 A L H X S+ 0 0 2 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.837 109.0 53.1 -66.9 -37.1 29.2 -1.7 26.2 275 1146 A I H X S+ 0 0 5 -4,-2.2 4,-3.0 2,-0.2 3,-0.4 0.981 111.8 44.2 -60.2 -59.6 32.7 -0.9 24.8 276 1147 A E H X S+ 0 0 116 -4,-1.8 4,-1.7 1,-0.3 -2,-0.2 0.846 114.2 52.4 -53.6 -38.6 34.4 -1.9 28.2 277 1148 A G H < S+ 0 0 21 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.889 113.2 42.9 -64.2 -41.6 32.1 -4.9 28.2 278 1149 A F H >X S+ 0 0 0 -4,-2.2 3,-1.7 -3,-0.4 4,-0.9 0.894 111.0 53.6 -71.8 -43.7 33.2 -5.8 24.6 279 1150 A E H 3X S+ 0 0 62 -4,-3.0 4,-2.0 1,-0.3 3,-0.4 0.834 98.5 66.1 -60.4 -33.2 37.0 -5.1 25.3 280 1151 A A H 3< S+ 0 0 79 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.599 107.0 41.7 -62.8 -17.1 36.7 -7.5 28.3 281 1152 A L H <4 S+ 0 0 63 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.586 117.1 46.0-102.9 -24.8 36.1 -10.3 25.6 282 1153 A L H < 0 0 24 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.1 0.958 360.0 360.0 -84.2 -58.1 38.7 -9.3 23.1 283 1154 A K < 0 0 226 -4,-2.0 0, 0.0 0, 0.0 0, 0.0 0.194 360.0 360.0 -29.6 360.0 41.9 -8.5 25.2