==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-MAR-12 4E4L . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT . 1125 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 787 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 68 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.3 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 4 1 3 8 4 0 8 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 4 4 4 12 0 0 4 4 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 . 8 0 4 0 4 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 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.5 -38.3 15.2 5.1 2 866 A D > - 0 0 84 1,-0.1 3,-1.8 3,-0.1 0, 0.0 -0.904 360.0-159.4-102.2 113.6 -36.4 17.4 2.6 3 867 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.684 92.4 57.3 -67.6 -15.7 -32.7 16.5 2.5 4 868 A T T 3 S+ 0 0 47 69,-0.1 70,-2.4 2,-0.0 2,-0.7 0.252 86.2 95.0 -95.0 10.7 -31.9 19.9 1.0 5 869 A H B < -a 74 0A 88 -3,-1.8 2,-0.5 68,-0.2 70,-0.2 -0.919 58.0-168.7-105.9 113.0 -33.5 21.7 4.0 6 870 A F - 0 0 13 68,-2.7 70,-0.4 -2,-0.7 2,-0.4 -0.880 17.2-133.2-104.4 126.0 -30.9 22.6 6.6 7 871 A E >> - 0 0 78 -2,-0.5 3,-1.2 1,-0.1 4,-0.5 -0.645 7.6-140.5 -81.3 131.8 -32.1 23.8 10.0 8 872 A K G >4 S+ 0 0 159 -2,-0.4 3,-1.3 1,-0.2 -1,-0.1 0.865 98.0 64.3 -57.6 -39.0 -30.3 26.9 11.3 9 873 A R G 34 S+ 0 0 167 1,-0.3 -1,-0.2 3,-0.0 22,-0.0 0.743 106.1 42.9 -59.6 -27.8 -30.2 25.5 14.9 10 874 A F G <4 S+ 0 0 40 -3,-1.2 21,-2.9 1,-0.1 2,-1.0 0.477 88.0 103.0 -96.7 -4.1 -27.9 22.6 13.9 11 875 A L E << -B 30 0A 23 -3,-1.3 2,-0.6 -4,-0.5 19,-0.2 -0.683 57.5-163.7 -89.7 97.2 -25.6 24.7 11.7 12 876 A K E -B 29 0A 109 17,-3.6 17,-2.7 -2,-1.0 2,-0.2 -0.719 13.4-132.2 -96.9 117.1 -22.4 25.3 13.6 13 877 A R E +B 28 0A 149 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.395 32.4 163.4 -66.1 130.6 -20.0 28.0 12.5 14 878 A I E - 0 0 73 13,-2.7 2,-0.3 1,-0.3 14,-0.2 0.766 56.0 -35.0-109.9 -67.2 -16.3 27.1 12.3 15 879 A R E -B 27 0A 125 12,-1.2 12,-3.3 0, 0.0 -1,-0.3 -0.983 60.9 -85.1-156.2 165.3 -14.4 29.7 10.3 16 880 A D E -B 26 0A 76 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.515 25.4-176.4 -74.9 136.1 -14.5 32.0 7.3 17 881 A L E - 0 0 61 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.693 65.1 -51.4-101.1 -30.6 -13.7 30.6 3.8 18 882 A G E -B 25 0A 35 7,-1.7 7,-3.1 2,-0.0 -1,-0.4 -0.918 51.7-142.4 175.6 173.2 -14.0 33.9 2.1 19 883 A E E -B 24 0A 105 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.998 8.0-159.3-150.4 156.6 -16.0 37.0 1.4 20 884 A G - 0 0 46 3,-2.6 -2,-0.0 -2,-0.3 5,-0.0 -0.349 54.6 -85.4-100.8-163.1 -17.2 39.6 -0.9 21 885 A H S S+ 0 0 103 -2,-0.2 3,-0.0 1,-0.1 26,-0.0 0.898 125.5 21.9 -74.8 -37.5 -18.5 43.0 0.1 22 886 A F S S+ 0 0 58 24,-0.1 25,-2.1 27,-0.0 2,-0.3 0.551 123.2 44.3-108.9 -11.7 -22.1 41.7 0.5 23 887 A G E - C 0 46A 17 23,-0.3 -3,-2.6 2,-0.0 2,-0.3 -0.917 56.8-164.8-134.0 158.8 -21.7 37.9 1.1 24 888 A K E -BC 19 45A 44 21,-2.4 21,-2.4 -2,-0.3 2,-0.5 -0.995 10.7-146.6-141.1 146.9 -19.6 35.6 3.1 25 889 A V E -BC 18 44A 18 -7,-3.1 -8,-3.3 -2,-0.3 -7,-1.7 -0.964 20.7-175.6-115.5 134.2 -18.9 31.9 3.0 26 890 A E E -BC 16 43A 25 17,-2.1 17,-3.1 -2,-0.5 2,-0.5 -0.934 29.3-120.1-126.0 146.6 -18.1 30.0 6.2 27 891 A L E +BC 15 42A 3 -12,-3.3 -13,-2.7 -2,-0.3 -12,-1.2 -0.774 44.5 174.4 -78.9 129.3 -17.1 26.5 7.0 28 892 A C E -BC 13 41A 4 13,-2.9 13,-2.9 -2,-0.5 2,-0.5 -0.922 31.2-131.5-133.3 156.1 -19.9 25.0 9.2 29 893 A R E -BC 12 40A 46 -17,-2.7 -17,-3.6 -2,-0.3 2,-0.9 -0.963 14.1-147.7-102.9 128.0 -20.7 21.7 10.8 30 894 A Y E +BC 11 39A 34 9,-3.2 9,-0.7 -2,-0.5 -19,-0.2 -0.878 29.8 169.9 -93.4 107.4 -24.3 20.6 10.3 31 895 A D > + 0 0 14 -21,-2.9 3,-1.0 -2,-0.9 5,-0.1 -0.620 15.9 158.9-127.8 65.6 -24.6 18.7 13.6 32 896 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.736 81.2 52.7 -64.1 -24.5 -28.3 17.7 14.3 33 897 A E T 3 S- 0 0 156 -23,-0.1 -2,-0.1 0, 0.0 -23,-0.0 0.606 103.8-136.1 -85.6 -16.2 -27.2 14.9 16.7 34 898 A G S < S+ 0 0 60 -3,-1.0 -3,-0.1 -24,-0.1 -4,-0.0 0.558 75.1 103.9 80.6 12.1 -25.1 17.4 18.6 35 899 A D S S- 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.233 95.1-104.4-113.6 11.6 -22.0 15.2 19.1 36 900 A N S S+ 0 0 108 -5,-0.1 -5,-0.0 1,-0.0 -6,-0.0 0.707 94.6 108.8 69.1 24.2 -19.7 16.8 16.5 37 901 A T + 0 0 84 2,-0.0 -6,-0.1 -8,-0.0 -7,-0.1 0.485 49.4 112.5-101.6 -6.7 -20.1 13.9 14.1 38 902 A G S S- 0 0 15 1,-0.1 -7,-0.2 -9,-0.1 2,-0.1 -0.078 76.0 -80.2 -69.1 168.0 -22.2 15.8 11.5 39 903 A E E -C 30 0A 98 -9,-0.7 -9,-3.2 -10,-0.1 2,-0.4 -0.332 36.3-124.2 -70.0 141.5 -21.2 16.8 8.0 40 904 A Q E +C 29 0A 72 -11,-0.2 45,-0.6 45,-0.1 2,-0.3 -0.731 38.6 177.2 -80.6 136.6 -18.9 19.8 7.2 41 905 A V E -CD 28 84A 0 -13,-2.9 -13,-2.9 -2,-0.4 2,-0.5 -0.951 33.1-119.6-139.5 154.7 -20.5 22.2 4.8 42 906 A A E -CD 27 83A 7 41,-2.6 41,-3.3 -2,-0.3 2,-0.5 -0.892 31.8-162.8 -96.5 124.8 -19.8 25.5 3.1 43 907 A V E -CD 26 82A 2 -17,-3.1 -17,-2.1 -2,-0.5 2,-0.5 -0.931 6.9-159.2-119.2 116.3 -22.5 28.1 4.0 44 908 A K E +CD 25 81A 16 37,-2.8 37,-2.1 -2,-0.5 2,-0.3 -0.861 22.0 165.9 -98.5 127.8 -23.0 31.4 2.0 45 909 A S E -C 24 0A 2 -21,-2.4 -21,-2.4 -2,-0.5 2,-0.2 -0.912 38.6-105.3-133.9 155.7 -24.8 34.2 3.9 46 910 A L E C 23 0A 50 33,-0.4 -23,-0.3 -2,-0.3 -24,-0.1 -0.593 360.0 360.0 -77.1 146.4 -25.4 37.9 3.4 47 911 A K 0 0 143 -25,-2.1 -1,-0.1 -2,-0.2 -26,-0.0 -0.590 360.0 360.0 -78.6 360.0 -23.4 40.2 5.7 48 ! 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 49 918 A H >> 0 0 110 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -18.6 -29.1 41.9 -1.6 50 919 A I H 3> + 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 360.0 57.7 -53.9 -43.1 -31.4 38.9 -0.7 51 920 A A H 3> S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 103.9 53.1 -58.5 -37.5 -32.7 38.7 -4.3 52 921 A D H <> S+ 0 0 79 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.905 108.8 47.6 -66.2 -43.2 -29.2 38.3 -5.7 53 922 A L H X S+ 0 0 6 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.902 109.4 54.3 -66.0 -41.5 -28.4 35.3 -3.4 54 923 A K H X S+ 0 0 97 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 109.5 48.0 -55.7 -44.4 -31.7 33.7 -4.3 55 924 A K H X S+ 0 0 110 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.935 110.2 51.7 -63.6 -45.5 -30.8 34.0 -8.0 56 925 A E H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.909 109.3 50.9 -54.8 -45.1 -27.3 32.5 -7.3 57 926 A I H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.924 110.3 49.0 -56.9 -46.8 -29.0 29.6 -5.5 58 927 A E H X S+ 0 0 91 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.882 112.8 47.2 -66.1 -38.8 -31.3 28.9 -8.4 59 928 A I H >< S+ 0 0 16 -4,-2.4 3,-1.0 2,-0.2 -2,-0.2 0.980 116.9 42.2 -60.8 -57.7 -28.4 29.0 -10.9 60 929 A L H >< S+ 0 0 1 -4,-2.8 3,-1.9 1,-0.3 11,-0.3 0.877 106.9 60.2 -64.0 -43.2 -26.2 26.7 -8.8 61 930 A R H 3< S+ 0 0 99 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.746 111.1 44.1 -49.8 -29.7 -29.0 24.2 -7.9 62 931 A N T << S+ 0 0 64 -3,-1.0 2,-0.5 -4,-0.6 -1,-0.3 0.289 90.5 96.1-108.1 6.5 -29.4 23.6 -11.6 63 932 A L < - 0 0 13 -3,-1.9 2,-0.4 -4,-0.1 8,-0.3 -0.879 48.8-177.4 -96.2 131.6 -25.8 23.3 -12.7 64 933 A Y + 0 0 166 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.917 26.6 125.1-131.1 102.8 -24.5 19.7 -12.9 65 934 A H > - 0 0 52 -2,-0.4 3,-1.7 3,-0.4 -2,-0.0 -0.969 61.2-126.5-155.5 143.0 -20.9 19.3 -13.9 66 935 A E T 3 S+ 0 0 126 -2,-0.3 4,-0.1 1,-0.3 51,-0.0 0.708 113.0 51.9 -67.9 -16.0 -18.0 17.4 -12.2 67 936 A N T 3 S+ 0 0 4 78,-0.1 79,-3.0 46,-0.1 2,-0.4 0.047 97.1 80.4-105.4 24.4 -15.9 20.7 -12.3 68 937 A I B < S-f 146 0B 3 -3,-1.7 -3,-0.4 77,-0.3 79,-0.2 -1.000 90.8-105.8-133.2 128.4 -18.7 22.8 -10.7 69 938 A V - 0 0 3 77,-3.0 2,-0.4 -2,-0.4 -6,-0.1 -0.165 41.0-107.2 -56.9 143.1 -19.1 22.8 -6.9 70 939 A K - 0 0 107 -4,-0.1 14,-2.3 -6,-0.1 2,-0.3 -0.588 19.1-136.9 -84.0 128.0 -22.1 20.8 -5.6 71 940 A Y E + E 0 83A 49 -2,-0.4 12,-0.2 -11,-0.3 3,-0.1 -0.613 22.8 176.4 -68.7 135.3 -25.2 22.5 -4.2 72 941 A K E - 0 0 55 10,-3.0 2,-0.3 1,-0.4 11,-0.2 0.661 48.3 -79.8-109.4 -33.1 -26.5 20.7 -1.1 73 942 A G E - E 0 82A 0 9,-2.1 9,-3.3 -68,-0.0 -1,-0.4 -0.997 40.6 -77.6 164.3-165.6 -29.4 22.9 0.0 74 943 A I E -aE 5 81A 39 -70,-2.4 -68,-2.7 -2,-0.3 2,-0.4 -0.892 15.6-147.3-131.6 159.8 -30.7 26.0 1.7 75 944 A C E E 0 80A 5 5,-1.9 5,-2.0 -2,-0.3 -68,-0.1 -0.997 360.0 360.0-126.2 124.1 -31.4 27.3 5.2 76 945 A T 0 0 109 -2,-0.4 3,-0.2 -70,-0.4 -68,-0.1 -0.930 360.0 360.0-121.3 360.0 -34.4 29.6 5.5 77 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 78 951 A G 0 0 82 0, 0.0 2,-0.3 0, 0.0 -28,-0.0 0.000 360.0 360.0 360.0 143.8 -33.8 35.4 4.8 79 952 A I - 0 0 25 -3,-0.2 -33,-0.4 -5,-0.0 2,-0.4 -0.994 360.0-154.9-154.2 151.8 -31.9 32.5 3.2 80 953 A K E - E 0 75A 62 -5,-2.0 -5,-1.9 -2,-0.3 2,-0.5 -0.993 19.2-132.2-128.9 142.2 -28.5 30.8 3.2 81 954 A L E -DE 44 74A 0 -37,-2.1 -37,-2.8 -2,-0.4 2,-0.5 -0.803 18.4-155.7 -89.3 128.6 -26.9 28.6 0.4 82 955 A I E +DE 43 73A 0 -9,-3.3 -10,-3.0 -2,-0.5 -9,-2.1 -0.937 19.6 170.9-110.3 121.3 -25.4 25.3 1.6 83 956 A M E -DE 42 71A 5 -41,-3.3 -41,-2.6 -2,-0.5 -12,-0.2 -0.812 41.2 -84.9-120.1 163.4 -22.7 23.8 -0.6 84 957 A E E -D 41 0A 33 -14,-2.3 2,-0.5 -2,-0.3 -43,-0.2 -0.389 44.5-128.2 -58.3 142.8 -20.3 20.9 -0.3 85 958 A F - 0 0 29 -45,-0.6 -45,-0.1 -57,-0.0 3,-0.1 -0.890 12.5-155.0 -98.0 127.7 -17.1 21.8 1.6 86 959 A L > - 0 0 5 -2,-0.5 3,-2.3 1,-0.1 52,-0.2 -0.893 4.1-158.5-103.6 104.4 -13.8 21.0 -0.2 87 960 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.725 87.9 63.5 -61.4 -23.0 -11.1 20.6 2.6 88 961 A S T 3 S- 0 0 52 50,-0.5 51,-0.1 1,-0.2 5,-0.1 0.601 97.5-153.9 -74.6 -9.6 -8.2 21.3 0.3 89 962 A G < - 0 0 14 -3,-2.3 49,-2.8 49,-0.2 -1,-0.2 -0.259 32.9 -32.3 75.9-159.8 -9.6 24.8 -0.2 90 963 A S B >> -G 137 0B 6 47,-0.3 4,-2.6 -3,-0.1 3,-1.2 -0.422 64.6 -97.3 -87.3 170.0 -9.0 26.9 -3.3 91 964 A L H 3> S+ 0 0 0 45,-2.2 4,-1.9 42,-1.0 43,-0.2 0.786 123.1 67.5 -55.2 -28.8 -5.9 27.1 -5.5 92 965 A K H 34 S+ 0 0 122 41,-0.5 -1,-0.3 44,-0.3 42,-0.1 0.861 112.6 28.1 -60.1 -37.5 -5.0 30.1 -3.4 93 966 A E H <> S+ 0 0 79 -3,-1.2 4,-0.7 2,-0.1 -2,-0.2 0.802 125.9 46.7 -89.4 -35.7 -4.5 27.9 -0.3 94 967 A Y H X S+ 0 0 14 -4,-2.6 4,-0.7 2,-0.2 3,-0.3 0.914 102.5 55.4 -81.3 -46.1 -3.5 24.7 -2.1 95 968 A L H >X S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 4,-0.6 0.899 106.5 49.3 -60.2 -48.2 -0.9 25.6 -4.7 96 969 A P H 34 S+ 0 0 59 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.821 115.7 45.3 -61.5 -30.4 1.6 27.3 -2.4 97 970 A K H 3< S+ 0 0 177 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.1 0.519 119.1 40.5 -86.6 -9.4 1.5 24.4 0.1 98 971 A N H XX + 0 0 37 -3,-1.0 3,-1.6 -4,-0.7 4,-1.5 0.191 66.8 124.0-131.5 16.5 1.8 21.6 -2.6 99 972 A K T 3< S+ 0 0 109 -4,-0.6 3,-0.3 -3,-0.3 -1,-0.1 0.837 77.5 55.4 -43.9 -46.2 4.3 22.9 -5.2 100 973 A N T 34 S+ 0 0 175 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.779 112.9 43.8 -60.9 -28.4 6.5 19.7 -4.8 101 974 A K T <4 S+ 0 0 112 -3,-1.6 2,-0.7 1,-0.1 -1,-0.2 0.760 105.1 67.4 -86.0 -29.7 3.4 17.6 -5.6 102 975 A I < + 0 0 1 -4,-1.5 -1,-0.1 -3,-0.3 2,-0.1 -0.835 60.6 178.0-113.5 103.5 2.0 19.7 -8.6 103 976 A N >> - 0 0 100 -2,-0.7 4,-2.2 -3,-0.1 3,-0.5 -0.349 48.2 -87.7 -96.9 178.4 3.9 19.7 -11.9 104 977 A L H 3> S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 124.3 56.2 -55.7 -43.8 3.2 21.4 -15.2 105 978 A K H 3> S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.882 109.8 44.7 -55.2 -44.6 1.2 18.4 -16.5 106 979 A Q H <> S+ 0 0 11 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.876 110.9 55.3 -67.5 -39.3 -1.2 18.5 -13.5 107 980 A Q H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 108.4 47.8 -56.7 -46.2 -1.5 22.3 -13.9 108 981 A L H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.883 108.8 54.6 -67.5 -34.4 -2.6 21.8 -17.5 109 982 A K H X S+ 0 0 79 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.911 108.7 48.3 -62.8 -41.8 -5.1 19.2 -16.4 110 983 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 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-93.7 120.7 2.1 64.4 -19.4 448 1037 B V + 0 0 6 19,-2.5 3,-0.1 -2,-0.6 -2,-0.0 -0.628 21.8 178.3 -93.1 147.8 1.3 63.9 -15.7 449 1038 B K S S+ 0 0 160 -2,-0.2 2,-0.9 1,-0.2 -1,-0.2 0.725 72.1 62.8-109.0 -51.2 2.5 61.1 -13.6 450 1039 B D + 0 0 86 1,-0.2 -1,-0.2 2,-0.0 -227,-0.1 -0.718 58.3 142.5 -82.7 106.9 1.0 61.9 -10.1 451 1040 B D > + 0 0 5 -2,-0.9 3,-1.8 -229,-0.2 -1,-0.2 0.301 22.9 115.8-130.7 6.7 -2.8 61.9 -10.6 452 1041 B R T 3 S+ 0 0 67 -230,-0.4 -227,-0.5 1,-0.3 -229,-0.1 0.887 87.3 38.5 -40.4 -51.3 -4.3 60.4 -7.4 453 1042 B D T 3 S+ 0 0 76 -229,-0.1 -1,-0.3 2,-0.1 -149,-0.1 -0.055 80.7 152.4-105.6 32.8 -6.1 63.6 -6.6 454 1043 B S < - 0 0 13 -3,-1.8 2,-1.8 1,-0.1 3,-0.1 -0.338 52.7-124.3 -59.4 139.6 -7.2 64.8 -10.0 455 1044 B P > + 0 0 23 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.575 39.8 178.1 -81.4 75.5 -10.4 67.0 -10.1 456 1045 B V G > + 0 0 4 -2,-1.8 3,-1.2 1,-0.3 8,-0.1 0.725 68.5 62.2 -62.3 -27.5 -11.9 64.6 -12.5 457 1046 B F G 3 S+ 0 0 18 1,-0.3 -1,-0.3 -3,-0.1 42,-0.0 0.543 108.0 45.8 -77.6 -4.1 -15.3 66.4 -12.9 458 1047 B W G < S+ 0 0 35 -3,-2.4 2,-0.3 2,-0.1 -1,-0.3 0.287 97.0 106.6-107.7 1.6 -13.4 69.4 -14.3 459 1048 B Y < - 0 0 4 -3,-1.2 15,-0.1 -4,-0.2 14,-0.0 -0.690 65.7-126.4-103.2 139.0 -11.2 67.4 -16.7 460 1049 B A >> - 0 0 0 -2,-0.3 4,-2.0 13,-0.2 3,-0.8 -0.242 36.6-103.4 -68.3 158.7 -11.2 66.9 -20.4 461 1050 B P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.852 119.2 56.4 -56.9 -36.2 -11.3 63.4 -21.9 462 1051 B E H 3> S+ 0 0 11 83,-0.3 4,-2.1 1,-0.2 6,-1.5 0.814 108.4 48.0 -65.8 -32.5 -7.6 63.4 -22.8 463 1052 B C H <> S+ 0 0 5 -3,-0.8 4,-1.2 4,-0.3 -1,-0.2 0.909 115.7 44.2 -71.5 -43.5 -6.7 64.2 -19.2 464 1053 B L H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.910 123.7 35.1 -66.6 -41.9 -9.0 61.4 -18.0 465 1054 B M H < S+ 0 0 35 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.853 138.8 7.9 -84.9 -40.4 -7.9 58.8 -20.6 466 1055 B Q H < S- 0 0 79 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.351 87.8-118.9-127.9 1.8 -4.2 59.6 -21.1 467 1056 B S < + 0 0 8 -4,-1.2 -19,-2.5 -5,-0.4 2,-0.5 0.836 64.4 146.1 55.2 33.0 -3.1 62.1 -18.5 468 1057 B K E -T 447 0H 38 -6,-1.5 2,-0.6 -21,-0.2 -1,-0.2 -0.903 33.3-159.9-100.3 127.4 -2.2 64.5 -21.3 469 1058 B F E +T 446 0H 6 -23,-2.8 -23,-2.3 -2,-0.5 2,-0.2 -0.937 14.3 172.4-116.5 114.3 -2.7 68.2 -20.5 470 1059 B Y E >> -T 445 0H 49 -2,-0.6 4,-1.1 -25,-0.2 3,-0.8 -0.647 49.9-106.7-105.5 166.4 -3.1 70.8 -23.3 471 1060 B I H >> S+ 0 0 69 -27,-0.6 4,-1.5 1,-0.2 3,-1.0 0.933 125.5 60.0 -53.6 -45.5 -4.0 74.5 -23.1 472 1061 B A H 3> S+ 0 0 21 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.755 96.2 60.5 -51.8 -30.4 -7.3 73.2 -24.7 473 1062 B S H <> S+ 0 0 3 -3,-0.8 4,-1.8 2,-0.2 -1,-0.3 0.869 102.6 51.0 -66.8 -37.2 -7.6 71.1 -21.5 474 1063 B D H <>S+ 0 0 4 -4,-2.3 5,-2.8 1,-0.2 3,-0.6 0.922 109.0 51.3 -54.7 -49.6 -20.2 77.0 -11.5 485 1074 B L H ><5S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.911 109.0 51.9 -55.9 -44.0 -20.3 80.8 -11.8 486 1075 B L H 3<5S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.700 111.3 46.0 -70.0 -21.9 -23.7 80.6 -13.5 487 1076 B T T X<5S- 0 0 12 -4,-1.2 3,-1.6 -3,-0.6 -1,-0.3 0.234 113.5-119.9 -98.9 10.0 -25.1 78.4 -10.7 488 1077 B Y T < 5 - 0 0 46 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.837 61.0 -70.4 53.2 35.2 -23.6 80.7 -8.1 489 1078 B C T 3 S+ 0 0 80 -2,-0.3 3,-1.0 1,-0.3 6,-0.3 0.837 101.9 56.8 -60.9 -34.7 -23.4 72.7 -3.9 492 1081 B D G 3 S+ 0 0 112 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.615 112.1 43.0 -73.0 -10.7 -26.5 70.9 -5.2 493 1082 B S G < S+ 0 0 29 -3,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 0.253 85.8 131.1-114.8 8.8 -25.7 72.1 -8.8 494 1083 B S S <> S- 0 0 17 -3,-1.0 4,-2.9 -4,-0.3 5,-0.3 -0.231 71.9-111.2 -64.4 152.4 -21.9 71.5 -8.6 495 1084 B P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.873 119.6 49.9 -51.2 -42.7 -20.2 69.6 -11.5 496 1085 B M H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.942 111.9 46.7 -60.3 -52.3 -19.6 66.7 -9.2 497 1086 B A H > S+ 0 0 18 -6,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.931 117.1 43.3 -55.7 -48.5 -23.2 66.5 -8.0 498 1087 B L H X S+ 0 0 38 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.846 115.0 47.7 -71.7 -38.5 -24.6 66.8 -11.5 499 1088 B F H X S+ 0 0 7 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.899 109.9 53.2 -66.9 -40.2 -22.2 64.4 -13.1 500 1089 B L H X S+ 0 0 38 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.750 108.5 51.1 -68.6 -25.7 -22.8 61.8 -10.3 501 1090 B K H < S+ 0 0 158 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.892 112.9 46.7 -68.0 -44.1 -26.5 62.2 -11.0 502 1091 B M H < S+ 0 0 73 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.889 127.5 23.3 -66.8 -43.3 -25.8 61.5 -14.7 503 1092 B I H < S- 0 0 17 -4,-2.6 -3,-0.2 1,-0.1 -1,-0.2 0.657 119.0 -92.1-100.7 -20.3 -23.5 58.5 -14.3 504 1093 B G < - 0 0 15 -4,-1.2 3,-0.4 -5,-0.3 -3,-0.2 0.038 21.2-122.6 110.1 137.6 -24.5 57.1 -10.9 505 1094 B P S S+ 0 0 96 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.574 98.0 61.9 -87.6 -9.5 -23.0 58.0 -7.5 506 1095 B T + 0 0 78 1,-0.2 -338,-0.4 -6,-0.1 -339,-0.2 -0.163 64.4 103.9-114.6 41.6 -22.1 54.5 -6.3 507 1096 B H > - 0 0 18 -3,-0.4 3,-2.7 1,-0.2 4,-0.2 0.390 53.3-174.4-100.7 3.1 -19.5 53.2 -8.9 508 1097 B G G > S+ 0 0 40 -3,-0.3 3,-2.4 1,-0.3 4,-0.2 -0.072 72.4 7.3 44.2-127.4 -16.4 53.7 -6.7 509 1098 B Q G 3 S+ 0 0 74 -341,-0.5 4,-0.3 1,-0.3 -281,-0.3 0.632 129.2 62.4 -58.1 -17.6 -13.1 53.0 -8.6 510 1099 B M G <> S+ 0 0 4 -3,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.393 75.3 97.4 -87.7 1.2 -15.2 52.7 -11.8 511 1100 B T H <> S+ 0 0 20 -3,-2.4 4,-2.4 -4,-0.2 -1,-0.2 0.920 81.9 47.3 -54.8 -49.7 -16.4 56.4 -11.6 512 1101 B V H > S+ 0 0 2 -287,-0.3 4,-2.9 -3,-0.3 -1,-0.2 0.914 110.9 49.8 -64.7 -44.8 -13.8 57.8 -14.0 513 1102 B T H > S+ 0 0 12 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.880 113.2 48.3 -62.6 -37.4 -14.3 55.2 -16.7 514 1103 B R H X S+ 0 0 49 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.872 109.7 51.8 -67.9 -36.8 -18.0 55.8 -16.5 515 1104 B L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.952 109.8 49.3 -62.7 -46.7 -17.4 59.5 -16.7 516 1105 B V H X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.868 111.1 50.8 -58.2 -38.4 -15.3 59.0 -19.8 517 1106 B N H X S+ 0 0 33 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.926 108.7 50.1 -67.7 -45.9 -18.1 56.8 -21.3 518 1107 B T H <>S+ 0 0 13 -4,-2.6 5,-1.8 1,-0.2 -2,-0.2 0.882 113.0 47.2 -56.9 -41.3 -20.8 59.5 -20.6 519 1108 B L H ><5S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.888 105.9 58.0 -71.4 -38.7 -18.5 62.1 -22.3 520 1109 B K H 3<5S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.797 102.0 56.8 -58.1 -29.6 -17.9 59.8 -25.3 521 1110 B E T 3<5S- 0 0 116 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.520 121.8-108.2 -79.8 -7.2 -21.7 59.7 -25.9 522 1111 B G T < 5 + 0 0 39 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.594 68.8 147.4 89.9 12.7 -21.8 63.5 -26.1 523 1112 B K < + 0 0 110 -5,-1.8 -1,-0.3 3,-0.0 2,-0.3 -0.643 19.6 171.7 -82.1 138.1 -23.5 64.1 -22.8 524 1113 B R - 0 0 29 -2,-0.3 16,-0.0 1,-0.0 -5,-0.0 -0.864 42.9 -69.1-137.9 167.7 -22.6 67.3 -21.0 525 1114 B L - 0 0 2 -2,-0.3 -26,-0.0 1,-0.1 -1,-0.0 -0.375 62.7-110.7 -56.4 137.8 -23.6 69.4 -18.0 526 1115 B P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.226 38.8 -79.5 -74.3 164.8 -27.0 70.9 -18.6 527 1116 B C - 0 0 53 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.435 53.4-114.7 -61.9 125.7 -27.8 74.6 -19.2 528 1117 B P > - 0 0 5 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.236 41.1 -86.5 -58.1 151.4 -27.9 76.4 -15.9 529 1118 B P T 3 S+ 0 0 94 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.325 114.9 8.2 -54.9 138.5 -31.2 77.9 -14.8 530 1119 B N T 3 S+ 0 0 168 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.567 93.9 136.1 65.5 9.2 -31.7 81.4 -16.2 531 1120 B C < - 0 0 12 -3,-2.0 -1,-0.2 1,-0.0 -4,-0.0 -0.798 57.5-122.2 -89.7 122.5 -28.6 81.0 -18.4 532 1121 B P > - 0 0 30 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.266 15.2-121.7 -60.8 149.9 -29.3 82.3 -21.9 533 1122 B D H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 113.2 59.1 -61.9 -37.1 -28.7 79.8 -24.8 534 1123 B E H > S+ 0 0 109 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.873 109.4 44.1 -58.2 -37.9 -26.2 82.1 -26.4 535 1124 B V H >> S+ 0 0 2 -3,-0.4 4,-1.8 2,-0.2 3,-0.5 0.929 112.2 52.2 -70.9 -45.6 -24.1 81.9 -23.1 536 1125 B Y H 3X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.858 104.5 57.0 -60.0 -35.7 -24.6 78.1 -22.9 537 1126 B Q H 3X S+ 0 0 85 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.834 104.7 51.4 -66.4 -31.8 -23.3 77.7 -26.6 538 1127 B L H < S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 4,-0.4 0.898 106.9 54.5 -60.2 -47.3 -19.8 77.0 -22.7 540 1129 B R H >< S+ 0 0 85 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.787 99.4 61.8 -61.3 -28.8 -20.5 74.0 -25.1 541 1130 B K H >< S+ 0 0 106 -4,-1.1 10,-1.6 1,-0.2 3,-0.7 0.721 96.7 60.1 -71.2 -19.0 -17.6 75.1 -27.3 542 1131 B C T << S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.624 103.3 55.1 -74.7 -16.1 -15.3 74.5 -24.3 543 1132 B W T < + 0 0 6 -3,-1.0 2,-0.2 -4,-0.4 -1,-0.2 -0.033 64.1 141.0-117.6 29.1 -16.4 70.9 -24.3 544 1133 B E < - 0 0 91 -3,-0.7 6,-0.2 1,-0.1 5,-0.1 -0.564 56.7-128.9 -63.9 134.1 -15.7 69.6 -27.8 545 1134 B F S S+ 0 0 46 -2,-0.2 -83,-0.3 -26,-0.1 -1,-0.1 0.919 95.3 63.3 -55.6 -46.4 -14.4 66.0 -27.2 546 1135 B Q S > S- 0 0 104 1,-0.1 3,-1.4 -85,-0.1 4,-0.4 -0.689 81.2-141.7 -83.2 126.8 -11.4 66.7 -29.4 547 1136 B P G > S+ 0 0 24 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.867 99.9 59.0 -52.8 -41.1 -9.1 69.4 -28.0 548 1137 B S G 3 S+ 0 0 110 1,-0.3 -3,-0.1 -3,-0.0 -2,-0.0 0.677 102.4 53.9 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-1,-0.2 0.901 112.0 51.1 -61.6 -41.0 -14.6 88.1 -27.9 559 1148 B G H X S+ 0 0 19 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.927 113.0 43.8 -64.2 -46.0 -17.8 86.1 -27.5 560 1149 B F H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.916 112.5 52.7 -64.9 -46.3 -18.5 87.4 -24.0 561 1150 B E H X S+ 0 0 90 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.876 106.8 53.2 -56.7 -41.1 -17.6 91.0 -25.0 562 1151 B A H < S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 109.9 48.6 -62.1 -38.9 -20.1 90.8 -27.9 563 1152 B L H < S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 110.7 51.7 -70.9 -25.6 -22.7 89.7 -25.4 564 1153 B L H < 0 0 30 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.839 360.0 360.0 -81.8 -36.8 -21.9 92.6 -23.0 565 1154 B K < 0 0 222 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.688 360.0 360.0-133.6 360.0 -22.1 95.4 -25.6 566 !* 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 0.0 567 864 E E 0 0 253 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 -40.4 15.5 -39.3 568 865 E V - 0 0 138 2,-0.0 0, 0.0 0, 0.0 0, 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5,-0.1 -0.273 38.3 -91.6 -60.1 145.1 11.6 73.4 -66.8 1012 1030 D T T 3 S+ 0 0 84 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.364 114.6 16.0 -56.8 136.6 12.5 75.6 -69.8 1013 1031 D D T 3 S+ 0 0 160 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.678 108.1 103.9 65.1 21.3 11.2 74.1 -73.1 1014 1032 D K < - 0 0 110 -3,-1.7 -1,-0.2 1,-0.1 -4,-0.0 -0.980 60.5-152.2-128.1 145.7 8.9 71.7 -71.1 1015 1033 D E + 0 0 153 -2,-0.3 27,-0.6 -3,-0.1 2,-0.3 0.544 69.9 24.4 -94.6 -9.8 5.1 72.2 -70.8 1016 1034 D X E -N 1041 0P 140 25,-0.2 2,-0.4 -5,-0.1 -5,-0.4 -0.954 63.2-120.9-151.6 165.3 4.5 70.4 -67.5 1017 1035 D X E -N 1040 0P 119 23,-2.4 23,-2.6 -2,-0.3 2,-0.6 -0.956 24.6-141.8-113.0 134.7 5.7 69.3 -64.1 1018 1036 D T E -N 1039 0P 75 -2,-0.4 2,-0.2 21,-0.2 21,-0.2 -0.832 20.8-149.3 -95.7 118.4 5.5 65.6 -63.1 1019 1037 D V + 0 0 15 19,-2.7 3,-0.1 -2,-0.6 -2,-0.0 -0.632 24.6 176.5 -96.2 152.2 4.5 65.0 -59.5 1020 1038 D K S S+ 0 0 164 -2,-0.2 2,-0.9 1,-0.2 -1,-0.1 0.756 71.1 64.7-111.3 -56.1 5.5 62.2 -57.2 1021 1039 D D + 0 0 89 1,-0.2 -1,-0.2 2,-0.0 -229,-0.1 -0.637 55.6 143.8 -75.8 105.2 3.9 63.1 -53.8 1022 1040 D D > + 0 0 5 -2,-0.9 3,-1.8 -231,-0.3 -1,-0.2 0.353 26.7 113.2-127.9 3.1 0.2 62.9 -54.5 1023 1041 D R T 3 S+ 0 0 79 -232,-0.4 -229,-0.5 1,-0.3 -231,-0.1 0.815 88.7 35.4 -38.2 -46.5 -1.3 61.5 -51.2 1024 1042 D D T 3 S+ 0 0 93 -231,-0.1 -1,-0.3 2,-0.1 -151,-0.1 -0.103 79.7 152.9-115.7 33.7 -3.1 64.7 -50.5 1025 1043 D S < - 0 0 14 -3,-1.8 2,-2.2 1,-0.1 3,-0.2 -0.437 52.3-124.8 -65.5 130.6 -4.1 66.0 -53.9 1026 1044 D P > - 0 0 24 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.533 38.7-178.0 -74.6 79.8 -7.2 68.2 -53.8 1027 1045 D V G > + 0 0 5 -2,-2.2 3,-1.6 1,-0.3 8,-0.1 0.786 69.9 60.8 -62.2 -32.3 -8.8 65.9 -56.3 1028 1046 D F G 3 S+ 0 0 17 1,-0.3 -1,-0.3 -3,-0.2 42,-0.0 0.526 109.5 45.6 -75.6 -2.7 -12.1 67.8 -56.8 1029 1047 D W G < S+ 0 0 35 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.353 97.0 103.2-109.1 -0.6 -10.1 70.8 -58.0 1030 1048 D Y < - 0 0 11 -3,-1.6 15,-0.1 -4,-0.3 14,-0.0 -0.678 68.3-124.0-100.4 140.1 -7.8 68.7 -60.4 1031 1049 D A >> - 0 0 0 -2,-0.3 4,-2.0 13,-0.2 3,-1.1 -0.326 34.3-104.9 -71.6 154.0 -7.8 68.3 -64.1 1032 1050 D P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.863 119.2 55.5 -48.5 -44.0 -8.1 64.8 -65.7 1033 1051 D E H 3> S+ 0 0 9 83,-0.3 4,-2.0 1,-0.2 6,-1.3 0.799 108.6 47.9 -62.3 -32.4 -4.4 64.8 -66.7 1034 1052 D C H <> S+ 0 0 10 -3,-1.1 4,-1.0 4,-0.2 -1,-0.2 0.888 116.0 44.6 -70.8 -41.6 -3.3 65.5 -63.1 1035 1053 D L H < S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.790 123.5 34.5 -71.5 -32.5 -5.7 62.7 -61.8 1036 1054 D M H < S+ 0 0 37 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.887 136.9 11.2 -92.5 -43.3 -4.7 60.2 -64.5 1037 1055 D Q H < S- 0 0 88 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.394 88.9-119.8-121.8 -2.6 -0.9 60.8 -65.1 1038 1056 D S < + 0 0 8 -4,-1.0 -19,-2.7 -5,-0.4 2,-0.4 0.833 66.0 140.3 59.7 34.2 0.3 63.1 -62.4 1039 1057 D K E -N 1018 0P 39 -6,-1.3 2,-0.5 -21,-0.2 -1,-0.2 -0.923 37.1-157.6-107.4 135.5 1.3 65.7 -65.0 1040 1058 D F E +N 1017 0P 3 -23,-2.6 -23,-2.4 -2,-0.4 2,-0.2 -0.947 13.7 175.3-122.8 115.8 0.7 69.4 -64.2 1041 1059 D Y E >> -N 1016 0P 40 -2,-0.5 4,-1.2 -25,-0.2 3,-0.7 -0.661 48.7-108.5-106.6 165.3 0.4 72.1 -66.9 1042 1060 D I H >> S+ 0 0 67 -27,-0.6 4,-1.8 1,-0.2 3,-0.8 0.927 126.2 59.5 -52.2 -42.8 -0.5 75.8 -66.7 1043 1061 D A H 3> S+ 0 0 19 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.774 97.6 59.3 -56.5 -28.7 -3.7 74.5 -68.3 1044 1062 D S H <> S+ 0 0 0 -3,-0.7 4,-1.7 2,-0.2 -1,-0.3 0.864 103.4 49.7 -68.6 -36.2 -4.1 72.4 -65.2 1045 1063 D D H S+ 0 0 4 -4,-2.3 5,-2.6 1,-0.2 3,-0.4 0.943 110.2 48.8 -54.4 -51.4 -16.6 78.4 -55.4 1056 1074 D L H ><5S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.914 110.2 51.6 -58.1 -42.5 -16.6 82.2 -55.6 1057 1075 D L H 3<5S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 111.1 46.8 -70.2 -24.5 -20.0 82.2 -57.4 1058 1076 D T T ><5S- 0 0 12 -4,-1.6 3,-1.4 -3,-0.4 -1,-0.3 0.291 114.2-118.9 -93.7 8.3 -21.6 80.0 -54.7 1059 1077 D Y T < 5 - 0 0 48 -3,-1.4 -3,-0.2 1,-0.3 3,-0.1 0.799 60.6 -70.5 56.4 34.9 -20.0 82.3 -52.0 1060 1078 D C T 3 S+ 0 0 75 -2,-0.3 3,-1.1 1,-0.3 6,-0.3 0.851 101.8 53.4 -56.0 -38.1 -20.0 74.4 -47.7 1063 1081 D D G 3 S+ 0 0 114 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.557 112.5 44.1 -77.8 -8.4 -23.1 72.6 -49.1 1064 1082 D S G < S+ 0 0 28 -3,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 0.105 86.9 133.7-114.8 17.2 -22.3 73.8 -52.6 1065 1083 D S S <> S- 0 0 13 -3,-1.1 4,-2.9 -5,-0.1 5,-0.3 -0.295 71.8-110.5 -65.6 152.1 -18.6 73.1 -52.4 1066 1084 D P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.868 119.8 47.6 -49.7 -40.1 -16.9 71.3 -55.3 1067 1085 D M H > S+ 0 0 96 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.955 112.5 46.9 -66.4 -53.5 -16.4 68.2 -53.1 1068 1086 D A H > S+ 0 0 20 -6,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.893 116.7 44.7 -56.9 -41.3 -20.0 68.1 -51.8 1069 1087 D L H X S+ 0 0 35 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.944 114.8 46.7 -71.4 -46.8 -21.4 68.6 -55.3 1070 1088 D F H X S+ 0 0 8 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.905 110.0 53.6 -60.5 -43.1 -19.1 66.0 -57.0 1071 1089 D L H X S+ 0 0 39 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.872 106.9 52.9 -61.0 -39.0 -19.7 63.4 -54.2 1072 1090 D K H < S+ 0 0 160 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.866 112.3 46.6 -57.3 -41.4 -23.5 63.9 -54.9 1073 1091 D M H < S+ 0 0 74 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.930 127.2 23.5 -69.1 -47.8 -22.8 63.2 -58.6 1074 1092 D I H < S- 0 0 17 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.642 118.7 -91.1 -98.5 -18.0 -20.6 60.1 -58.2 1075 1093 D G < - 0 0 17 -4,-2.6 3,-0.4 -5,-0.3 -3,-0.1 0.073 20.4-123.1 110.4 135.5 -21.6 58.7 -54.8 1076 1094 D P S S+ 0 0 95 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.484 97.8 62.0 -89.9 -0.2 -20.1 59.5 -51.3 1077 1095 D T + 0 0 76 1,-0.1 -340,-0.4 -6,-0.1 -341,-0.3 -0.179 65.0 103.5-120.9 41.9 -19.2 55.9 -50.2 1078 1096 D H > - 0 0 20 -3,-0.4 3,-2.8 1,-0.2 4,-0.2 0.461 52.6-173.7-102.9 -0.4 -16.6 54.7 -52.8 1079 1097 D G G > S+ 0 0 44 1,-0.3 3,-1.7 -3,-0.2 4,-0.3 -0.174 74.4 5.6 48.8-122.0 -13.5 55.1 -50.6 1080 1098 D Q G 3 S+ 0 0 69 -343,-0.5 -283,-0.3 1,-0.3 4,-0.3 0.555 129.3 63.1 -70.9 -8.2 -10.4 54.3 -52.6 1081 1099 D M G <> S+ 0 0 4 -3,-2.8 4,-2.2 1,-0.1 5,-0.3 0.534 76.4 94.8 -87.6 -9.0 -12.5 54.0 -55.8 1082 1100 D T H <> S+ 0 0 14 -3,-1.7 4,-2.3 1,-0.2 -1,-0.1 0.898 82.5 48.0 -50.0 -52.5 -13.6 57.7 -55.5 1083 1101 D V H > S+ 0 0 0 -289,-0.4 4,-3.7 -4,-0.3 5,-0.2 0.904 110.7 50.5 -59.6 -44.5 -10.9 59.1 -57.9 1084 1102 D T H > S+ 0 0 14 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.912 113.0 46.1 -61.3 -42.7 -11.5 56.6 -60.6 1085 1103 D R H X S+ 0 0 51 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.839 112.7 51.9 -66.9 -34.0 -15.3 57.3 -60.5 1086 1104 D L H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.988 111.6 45.2 -60.5 -57.7 -14.4 61.0 -60.5 1087 1105 D V H X S+ 0 0 11 -4,-3.7 4,-2.1 1,-0.2 -2,-0.2 0.843 113.1 52.7 -55.6 -35.6 -12.1 60.5 -63.6 1088 1106 D N H X S+ 0 0 37 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.931 107.8 48.6 -67.8 -46.6 -14.9 58.4 -65.2 1089 1107 D T H <>S+ 0 0 15 -4,-2.4 5,-2.0 1,-0.2 -2,-0.2 0.856 113.0 48.8 -60.6 -38.7 -17.6 61.1 -64.7 1090 1108 D L H ><5S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.868 108.6 53.4 -67.6 -41.2 -15.3 63.8 -66.2 1091 1109 D K H 3<5S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.841 102.3 58.9 -59.5 -36.7 -14.5 61.5 -69.1 1092 1110 D E T 3<5S- 0 0 113 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.494 123.9-106.5 -71.8 -5.7 -18.3 61.2 -69.7 1093 1111 D G T < 5S+ 0 0 42 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.520 70.6 146.5 92.5 8.9 -18.4 65.0 -70.1 1094 1112 D K < + 0 0 106 -5,-2.0 -1,-0.3 3,-0.0 2,-0.3 -0.599 19.5 172.3 -83.6 138.7 -20.0 65.7 -66.8 1095 1113 D R - 0 0 32 -2,-0.3 16,-0.0 1,-0.1 -5,-0.0 -0.866 41.9 -68.6-137.1 167.1 -19.1 69.0 -65.0 1096 1114 D L - 0 0 2 -2,-0.3 -1,-0.1 1,-0.1 -26,-0.0 -0.273 61.3-107.6 -55.9 141.7 -20.1 71.0 -62.0 1097 1115 D P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.272 39.0 -85.0 -72.9 160.8 -23.6 72.6 -62.5 1098 1116 D C - 0 0 51 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.463 52.3-114.2 -61.1 127.0 -24.2 76.3 -63.1 1099 1117 D P > - 0 0 4 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.306 42.1 -82.8 -60.8 151.2 -24.4 78.1 -59.7 1100 1118 D P T 3 S+ 0 0 94 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.303 114.8 4.3 -54.0 129.9 -27.7 79.7 -58.6 1101 1119 D N T 3 S+ 0 0 166 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.590 92.5 138.6 69.2 11.1 -28.2 83.1 -60.2 1102 1120 D C < - 0 0 14 -3,-2.0 -1,-0.2 2,-0.0 -4,-0.0 -0.800 57.5-120.2 -87.4 123.3 -24.9 82.8 -62.3 1103 1121 D P >> - 0 0 49 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.305 19.3-119.9 -60.2 148.7 -25.5 84.2 -65.8 1104 1122 D D H 3> S+ 0 0 100 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.807 111.8 57.7 -64.4 -30.0 -25.0 81.6 -68.5 1105 1123 D E H 3> S+ 0 0 124 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.787 107.8 46.8 -75.8 -24.0 -22.2 83.6 -70.2 1106 1124 D V H <> S+ 0 0 3 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.894 113.5 50.3 -69.3 -44.4 -20.2 83.6 -66.9 1107 1125 D Y H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.857 106.0 55.9 -61.3 -35.1 -21.0 79.9 -66.8 1108 1126 D Q H X S+ 0 0 77 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.879 105.5 50.3 -66.9 -38.3 -19.7 79.5 -70.4 1109 1127 D L H X S+ 0 0 18 -4,-1.1 4,-0.6 1,-0.2 3,-0.2 0.893 108.7 54.1 -62.7 -39.7 -16.4 81.0 -69.5 1110 1128 D M H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 4,-0.5 0.901 104.4 54.3 -59.0 -45.4 -16.2 78.6 -66.6 1111 1129 D R H >< S+ 0 0 89 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.796 97.8 62.6 -63.5 -29.6 -16.7 75.6 -68.9 1112 1130 D K H >< S+ 0 0 97 -4,-1.2 10,-1.4 1,-0.2 3,-0.7 0.744 98.0 58.9 -67.1 -20.9 -13.8 76.6 -71.2 1113 1131 D C T << S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.719 105.7 52.1 -71.9 -21.5 -11.6 76.0 -68.1 1114 1132 D W T < + 0 0 6 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.037 67.7 138.3-112.5 22.4 -12.9 72.5 -68.1 1115 1133 D E < - 0 0 93 -3,-0.7 6,-0.1 1,-0.1 -68,-0.0 -0.440 59.6-125.4 -56.9 145.3 -12.2 71.2 -71.6 1116 1134 D F S S+ 0 0 47 4,-0.1 -83,-0.3 -85,-0.1 -1,-0.1 0.895 93.3 64.4 -68.2 -40.9 -10.9 67.7 -71.2 1117 1135 D Q S >> S- 0 0 100 1,-0.1 3,-1.2 -85,-0.1 4,-0.5 -0.737 79.8-138.5 -87.3 129.8 -7.7 68.2 -73.2 1118 1136 D P G >4 S+ 0 0 24 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.835 102.0 57.7 -49.6 -40.0 -5.2 70.8 -71.7 1119 1137 D S G 34 S+ 0 0 105 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.753 102.5 53.4 -68.5 -25.7 -4.6 72.3 -75.2 1120 1138 D N G <4 S+ 0 0 105 -3,-1.2 -1,-0.2 2,-0.0 2,-0.1 0.537 87.0 108.8 -85.8 -8.2 -8.3 73.2 -75.8 1121 1139 D R S << S- 0 0 19 -3,-1.0 -8,-0.2 -4,-0.5 -9,-0.1 -0.445 75.7-106.8 -73.4 143.9 -8.6 75.1 -72.5 1122 1140 D T - 0 0 14 -10,-1.4 2,-0.2 -13,-0.2 -1,-0.1 -0.123 35.8-121.6 -54.4 158.8 -8.9 78.9 -72.4 1123 1141 D S > - 0 0 60 1,-0.1 4,-2.2 -77,-0.0 5,-0.1 -0.639 19.4-111.6 -99.7 165.2 -5.9 80.9 -71.2 1124 1142 D F H > S+ 0 0 5 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 121.2 53.0 -63.1 -37.1 -5.8 83.3 -68.2 1125 1143 D Q H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 110.1 47.4 -61.5 -43.5 -5.3 86.1 -70.7 1126 1144 D N H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.840 111.5 51.2 -65.5 -37.3 -8.4 85.0 -72.6 1127 1145 D L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.926 107.9 51.9 -63.5 -47.2 -10.4 84.7 -69.3 1128 1146 D I H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 111.2 47.4 -55.9 -49.7 -9.4 88.2 -68.2 1129 1147 D E H X S+ 0 0 121 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.919 112.1 51.0 -56.5 -45.4 -10.6 89.6 -71.6 1130 1148 D G H X S+ 0 0 17 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.920 112.8 44.2 -60.6 -46.9 -13.9 87.6 -71.2 1131 1149 D F H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.906 112.4 53.2 -65.8 -40.0 -14.6 88.9 -67.7 1132 1150 D E H X S+ 0 0 88 -4,-2.6 4,-1.2 1,-0.2 3,-0.4 0.889 104.3 55.4 -64.9 -39.1 -13.6 92.5 -68.8 1133 1151 D A H < S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.866 108.9 48.7 -57.4 -37.1 -16.1 92.3 -71.7 1134 1152 D L H < S+ 0 0 58 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.739 107.7 54.6 -76.6 -23.4 -18.8 91.4 -69.1 1135 1153 D L H < 0 0 27 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.662 360.0 360.0 -86.0 -20.8 -17.9 94.3 -66.8 1136 1154 D K < 0 0 226 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.1 -0.641 360.0 360.0-148.4 360.0 -18.2 97.0 -69.5