==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-AUG-01 1GKK . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE Y; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR J.A.M.PRATES,N.TARBOURIECH,S.J.CHARNOCK,C.M.G.A.FONTES, . 566 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 2 2 0 2 2 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 1 1 4 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 PARALLEL BRIDGES PER LADDER . 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 2 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 1 803 A S 0 0 128 0, 0.0 89,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 155.1 43.3 109.1 2.7 2 804 A F - 0 0 29 87,-0.4 2,-0.4 268,-0.0 89,-0.0 -0.340 360.0-174.7 -54.4 137.5 40.8 109.0 5.5 3 805 A K - 0 0 114 -2,-0.1 280,-0.1 0, 0.0 2,-0.0 -0.995 26.6-115.1-135.3 130.3 42.0 109.2 9.1 4 806 A Y - 0 0 22 279,-2.6 2,-0.3 -2,-0.4 236,-0.1 -0.367 24.5-161.0 -62.9 141.1 39.8 108.9 12.2 5 807 A E - 0 0 108 234,-0.2 3,-0.4 1,-0.1 236,-0.1 -0.848 18.4-135.7-110.7 155.3 39.5 112.0 14.5 6 808 A S S S+ 0 0 79 -2,-0.3 233,-2.0 1,-0.2 234,-0.4 0.654 99.8 22.9 -87.0 -19.9 38.3 111.4 18.1 7 809 A A S S- 0 0 49 231,-0.2 -1,-0.2 232,-0.2 240,-0.0 -0.454 83.7-165.4-142.5 66.6 35.9 114.4 18.1 8 810 A V - 0 0 11 -3,-0.4 2,-0.3 1,-0.1 259,-0.0 -0.184 11.7-140.8 -56.8 139.3 35.0 115.1 14.5 9 811 A Q - 0 0 130 240,-0.1 2,-0.1 1,-0.1 242,-0.1 -0.718 24.6 -89.3-104.1 155.6 33.3 118.5 13.9 10 812 A Y + 0 0 48 240,-0.3 254,-0.1 -2,-0.3 -1,-0.1 -0.418 50.7 165.1 -60.3 133.2 30.5 119.5 11.6 11 813 A R - 0 0 132 252,-0.2 240,-0.0 -2,-0.1 2,-0.0 -0.903 29.8-133.2-151.9 115.8 31.8 120.6 8.2 12 814 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 248,-0.1 -0.370 31.0-103.1 -68.0 151.7 29.6 121.0 5.1 13 815 A A - 0 0 2 1,-0.1 5,-0.1 2,-0.1 250,-0.1 -0.434 55.1 -86.6 -63.7 148.0 30.7 119.5 1.8 14 816 A P > - 0 0 43 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.223 38.9-111.6 -54.6 150.6 32.0 122.2 -0.5 15 817 A D G > S+ 0 0 136 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.847 117.1 65.6 -54.9 -31.9 29.2 123.9 -2.5 16 818 A S G > S+ 0 0 69 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.729 88.1 68.4 -62.5 -21.7 30.7 122.4 -5.6 17 819 A Y G < S+ 0 0 25 -3,-2.3 -1,-0.3 1,-0.2 67,-0.3 0.623 88.1 65.5 -73.9 -12.5 29.8 119.0 -4.3 18 820 A L G < S+ 0 0 26 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.532 91.2 78.0 -85.3 -5.7 26.1 119.8 -4.7 19 821 A N S < S- 0 0 95 -3,-1.1 65,-0.1 -4,-0.2 0, 0.0 -0.693 100.6 -78.6 -99.3 154.5 26.5 119.9 -8.5 20 822 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.210 42.8-143.3 -55.5 138.9 26.7 116.8 -10.7 21 823 A C - 0 0 7 -4,-0.1 3,-0.2 1,-0.1 63,-0.0 -0.802 14.2-130.1 -99.7 141.8 30.1 115.0 -10.8 22 824 A P S S+ 0 0 114 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.784 105.0 64.3 -63.9 -24.5 31.4 113.5 -14.1 23 825 A Q S S+ 0 0 72 24,-0.1 2,-0.4 60,-0.0 24,-0.3 -0.595 82.6 176.9 -95.5 67.9 32.1 110.2 -12.2 24 826 A A - 0 0 53 -2,-1.2 2,-0.1 -3,-0.2 56,-0.1 -0.617 26.8-133.8 -84.7 128.2 28.4 109.6 -11.5 25 827 A G - 0 0 11 -2,-0.4 2,-0.4 54,-0.3 22,-0.1 -0.396 31.3-108.9 -67.0 154.5 27.2 106.5 -9.7 26 828 A R E -A 45 0A 155 19,-0.7 19,-2.9 20,-0.2 2,-0.6 -0.732 24.6-151.0 -89.6 133.2 24.2 104.8 -11.3 27 829 A I E -A 44 0A 58 -2,-0.4 2,-0.5 17,-0.2 17,-0.2 -0.924 11.7-164.1-108.2 120.4 20.9 105.0 -9.5 28 830 A V E -A 43 0A 18 15,-2.9 15,-2.5 -2,-0.6 2,-0.5 -0.899 12.5-143.7-109.4 123.6 18.6 102.1 -10.2 29 831 A K E -A 42 0A 98 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.775 27.5-172.3 -82.9 124.1 14.8 102.2 -9.3 30 832 A E E -A 41 0A 22 11,-2.9 11,-2.1 -2,-0.5 2,-0.4 -0.862 15.1-159.2-120.5 152.2 13.7 98.8 -8.1 31 833 A T E +A 40 0A 77 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 19.1 164.2-131.5 136.0 10.4 97.3 -7.3 32 834 A Y E -A 39 0A 11 7,-2.8 7,-2.7 -2,-0.4 2,-0.4 -0.915 31.6-123.6-144.8 166.7 9.8 94.3 -5.1 33 835 A T E +A 38 0A 102 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.983 41.4 146.0-120.0 131.0 7.0 92.6 -3.2 34 836 A G E > -A 37 0A 17 3,-1.9 3,-2.0 -2,-0.4 80,-0.1 -0.597 65.1 -55.9-142.4-159.7 7.3 91.9 0.5 35 837 A I T 3 S+ 0 0 55 1,-0.3 70,-0.2 -2,-0.2 3,-0.1 0.698 134.2 48.4 -65.5 -19.3 5.2 91.7 3.7 36 838 A N T 3 S- 0 0 16 1,-0.4 -1,-0.3 68,-0.1 70,-0.2 0.058 118.6-110.8-105.9 22.0 3.9 95.2 3.1 37 839 A G E < -A 34 0A 31 -3,-2.0 -3,-1.9 67,-0.1 2,-0.5 -0.357 66.4 -12.4 86.4-165.5 3.0 94.6 -0.5 38 840 A T E S+A 33 0A 96 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.633 75.1 157.8 -78.3 124.0 4.6 95.9 -3.7 39 841 A K E -A 32 0A 11 -7,-2.7 -7,-2.8 -2,-0.5 2,-0.3 -0.891 28.2-131.9-141.4 169.3 7.0 98.7 -3.0 40 842 A S E +A 31 0A 25 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.813 17.7 174.2-122.9 164.6 10.0 100.5 -4.6 41 843 A L E -A 30 0A 0 -11,-2.1 -11,-2.9 -2,-0.3 2,-0.4 -0.945 26.9-117.6-155.5 166.3 13.4 101.7 -3.5 42 844 A N E -AB 29 98A 11 56,-1.9 56,-2.8 -2,-0.3 2,-0.5 -0.954 17.0-155.9-112.8 142.9 16.5 103.3 -5.2 43 845 A V E -AB 28 97A 0 -15,-2.5 -15,-2.9 -2,-0.4 2,-0.6 -0.969 3.9-156.4-116.9 116.4 19.9 101.7 -5.3 44 846 A Y E -AB 27 96A 0 52,-3.4 52,-1.9 -2,-0.5 -17,-0.2 -0.861 10.4-166.5 -87.6 121.3 23.0 104.0 -5.7 45 847 A L E -A 26 0A 5 -19,-2.9 -19,-0.7 -2,-0.6 50,-0.1 -0.881 24.5-114.4-103.2 138.2 25.9 102.1 -7.2 46 848 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 -20,-0.2 -0.294 38.9 -88.5 -71.0 157.3 29.3 103.7 -7.1 47 849 A Y T 3 S+ 0 0 130 -24,-0.3 -22,-0.1 1,-0.3 -24,-0.1 -0.419 120.2 26.7 -60.4 133.1 31.1 104.9 -10.2 48 850 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -2,-0.1 -23,-0.1 0.514 84.8 179.3 89.5 1.4 33.2 101.9 -11.4 49 851 A Y < - 0 0 52 -3,-2.1 -1,-0.2 1,-0.1 -4,-0.0 -0.182 5.7-171.6 -43.9 126.0 30.8 99.4 -9.8 50 852 A D > - 0 0 61 78,-0.1 3,-2.3 1,-0.1 -1,-0.1 -0.980 18.8-151.4-127.4 110.3 32.1 95.9 -10.5 51 853 A P T 3 S+ 0 0 74 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.567 95.2 62.8 -65.3 -6.7 29.8 93.0 -9.5 52 854 A N T 3 S+ 0 0 152 2,-0.1 2,-0.3 76,-0.0 -3,-0.0 0.315 96.5 70.3 -98.1 10.0 32.8 90.7 -9.0 53 855 A K S < S- 0 0 123 -3,-2.3 2,-0.4 75,-0.1 75,-0.0 -0.717 87.0-119.8-108.9 166.3 34.0 93.0 -6.2 54 856 A K - 0 0 112 -2,-0.3 2,-0.4 76,-0.1 75,-0.2 -0.932 27.5-163.6-113.2 134.4 32.3 93.2 -2.9 55 857 A Y B -k 129 0B 19 73,-1.8 75,-0.6 -2,-0.4 39,-0.1 -0.915 20.8-118.5-119.6 143.4 30.9 96.5 -1.6 56 858 A N E -c 94 0A 14 37,-0.5 39,-2.8 -2,-0.4 2,-0.4 -0.400 34.0-141.9 -67.0 158.2 29.7 97.8 1.8 57 859 A I E -cd 95 146A 0 88,-2.0 90,-2.3 37,-0.2 2,-0.5 -0.991 16.7-170.8-136.0 133.5 26.1 98.7 1.9 58 860 A F E -cd 96 147A 0 37,-2.3 39,-2.4 -2,-0.4 2,-0.4 -0.988 9.6-156.1-126.4 121.2 24.3 101.6 3.7 59 861 A Y E -cd 97 148A 0 88,-2.5 90,-2.6 -2,-0.5 2,-0.4 -0.832 14.8-167.6 -98.7 132.9 20.5 101.8 3.9 60 862 A L E - d 0 149A 0 37,-3.0 2,-0.4 -2,-0.4 90,-0.3 -0.971 5.0-150.9-135.1 120.2 19.2 105.3 4.4 61 863 A X E - d 0 150A 0 88,-2.6 90,-2.2 -2,-0.4 93,-0.2 -0.714 9.3-133.3-101.7 135.1 15.7 106.3 5.3 62 864 A H - 0 0 1 37,-0.5 2,-0.1 -2,-0.4 -1,-0.1 -0.018 26.0-106.2 -68.0 175.5 13.7 109.4 4.6 63 865 A G > - 0 0 1 1,-0.2 3,-1.9 90,-0.2 89,-0.1 -0.257 52.5 -50.3 -97.7-175.8 11.7 111.5 6.9 64 866 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.313 124.2 13.9 -60.1 138.7 8.0 112.1 7.5 65 867 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.414 108.9 105.2 78.6 -1.3 6.0 112.9 4.4 66 868 A E < - 0 0 43 -3,-1.9 2,-0.3 1,-0.0 -1,-0.3 -0.239 52.0-153.2-100.5-171.8 8.8 111.8 2.2 67 869 A N > - 0 0 60 -3,-0.1 3,-1.7 -2,-0.1 4,-0.5 -0.890 41.4 -74.6-155.4-179.5 9.4 108.7 0.0 68 870 A E T 3 S+ 0 0 32 1,-0.3 -26,-0.2 -2,-0.3 4,-0.2 0.610 125.3 52.5 -62.9 -13.3 12.1 106.4 -1.5 69 871 A N T 3 S+ 0 0 56 1,-0.1 3,-0.4 2,-0.1 4,-0.3 0.557 85.3 85.5 -97.7 -12.5 12.9 109.1 -4.1 70 872 A T S X S+ 0 0 17 -3,-1.7 3,-1.4 1,-0.2 7,-0.3 0.889 82.9 53.8 -58.2 -48.4 13.4 112.1 -1.9 71 873 A I T 3 S+ 0 0 1 -4,-0.5 7,-2.0 1,-0.3 8,-0.3 0.818 116.1 38.9 -64.0 -28.5 17.1 111.6 -1.0 72 874 A F T 3 S+ 0 0 18 -3,-0.4 -1,-0.3 5,-0.2 -2,-0.2 0.273 99.9 104.3-104.6 9.2 18.2 111.5 -4.7 73 875 A S S X> S- 0 0 32 -3,-1.4 4,-2.2 -4,-0.3 3,-1.9 -0.278 92.7 -97.9 -80.7 172.0 15.7 114.2 -5.7 74 876 A N T 34 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 0.682 120.3 69.2 -64.5 -12.8 16.5 117.8 -6.5 75 877 A D T 34 S+ 0 0 128 -5,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.614 122.1 7.7 -79.8 -11.1 15.5 118.6 -3.0 76 878 A V T <4 S- 0 0 1 -3,-1.9 -2,-0.2 -6,-0.3 -4,-0.1 0.614 72.0-165.2-134.9 -51.5 18.5 116.8 -1.5 77 879 A K >X + 0 0 65 -4,-2.2 3,-1.4 -7,-0.3 4,-1.1 0.813 24.5 159.4 62.7 35.7 20.9 115.7 -4.2 78 880 A L H 3> + 0 0 1 -7,-2.0 4,-2.5 1,-0.3 5,-0.2 0.830 65.3 66.9 -59.1 -32.1 22.8 113.3 -2.0 79 881 A Q H 3> S+ 0 0 36 -8,-0.3 4,-2.7 1,-0.2 -54,-0.3 0.815 95.7 56.0 -59.2 -30.2 24.2 111.4 -5.0 80 882 A N H <> S+ 0 0 19 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.919 109.1 46.1 -68.8 -42.7 26.2 114.5 -6.0 81 883 A I H X S+ 0 0 2 -4,-1.1 4,-2.7 2,-0.2 5,-0.2 0.944 114.2 48.1 -61.6 -48.5 27.9 114.5 -2.6 82 884 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.930 112.4 49.9 -54.9 -48.0 28.5 110.7 -2.8 83 885 A D H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.941 114.2 42.4 -60.3 -53.1 29.9 111.0 -6.3 84 886 A H H X S+ 0 0 34 -4,-2.6 4,-2.1 -67,-0.3 6,-0.2 0.901 114.5 50.4 -62.3 -41.6 32.3 113.8 -5.5 85 887 A A H <>S+ 0 0 2 -4,-2.7 5,-1.9 -5,-0.2 6,-1.2 0.906 113.2 45.5 -65.3 -41.3 33.4 112.3 -2.2 86 888 A I H ><5S+ 0 0 25 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.935 112.9 50.9 -67.1 -42.9 34.1 108.9 -3.8 87 889 A X H 3<5S+ 0 0 95 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.884 112.0 47.2 -61.3 -38.8 35.9 110.5 -6.8 88 890 A N T 3<5S- 0 0 109 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.461 115.3-113.9 -88.2 2.6 38.1 112.5 -4.5 89 891 A G T < 5S+ 0 0 49 -3,-1.2 -87,-0.4 -4,-0.3 -3,-0.2 0.591 85.6 116.0 80.3 9.7 39.0 109.5 -2.2 90 892 A E S S- 0 0 38 1,-0.3 3,-2.4 3,-0.2 -64,-0.1 0.420 90.2 -10.0 102.0 132.5 3.0 101.3 1.8 104 906 A G T 3 S- 0 0 64 1,-0.3 -1,-0.3 -66,-0.1 -68,-0.1 -0.275 127.2 -20.7 58.0-132.5 0.6 98.7 3.0 105 907 A N T 3 S+ 0 0 70 -70,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.223 103.3 129.2 -89.6 3.5 0.9 98.2 6.8 106 908 A C < + 0 0 8 -3,-2.4 2,-0.3 -70,-0.2 -3,-0.2 -0.391 29.5 172.3 -70.1 144.5 4.4 99.7 6.9 107 909 A T > - 0 0 17 -5,-0.1 4,-1.5 -2,-0.1 -5,-0.1 -0.917 48.7-105.4-137.2 167.5 5.4 102.4 9.4 108 910 A A T 4 S+ 0 0 6 -2,-0.3 4,-0.3 1,-0.2 52,-0.1 0.880 122.7 49.1 -59.3 -34.8 8.6 104.0 10.4 109 911 A Q T 4 S+ 0 0 4 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.865 118.3 35.7 -74.2 -37.8 8.4 101.9 13.6 110 912 A N T >> S+ 0 0 11 1,-0.2 3,-1.9 -9,-0.1 4,-0.6 0.478 84.2 101.1-101.1 1.6 7.8 98.5 12.0 111 913 A F H >X + 0 0 0 -4,-1.5 4,-2.7 1,-0.3 3,-0.5 0.821 66.1 75.9 -56.1 -32.8 9.8 98.8 8.9 112 914 A Y H 3> S+ 0 0 3 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.3 0.805 89.6 58.0 -50.3 -31.4 12.6 96.7 10.3 113 915 A Q H <> S+ 0 0 10 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.950 110.2 41.3 -68.1 -44.3 10.6 93.6 9.8 114 916 A E H S+ 0 0 0 -4,-0.6 4,-2.6 -3,-0.5 5,-2.2 0.862 112.1 57.8 -64.9 -37.2 10.3 94.2 6.1 115 917 A F H <>S+ 0 0 0 -4,-2.7 5,-2.4 3,-0.2 -2,-0.2 0.943 110.9 41.9 -56.5 -48.6 13.9 95.2 6.0 116 918 A R H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.898 125.2 32.4 -63.2 -50.5 15.0 91.9 7.5 117 919 A Q H <5S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.805 134.9 9.9 -82.3 -37.2 12.7 89.6 5.4 118 920 A N T X5S+ 0 0 30 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.792 119.2 50.5-116.1 -51.1 12.3 91.4 2.1 119 921 A V H > S+ 0 0 30 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.901 115.4 49.1 -64.9 -35.9 17.4 89.6 0.4 122 924 A F H X S+ 0 0 61 -4,-2.1 4,-0.8 1,-0.2 3,-0.4 0.971 119.0 36.2 -63.7 -53.3 16.0 91.5 -2.6 123 925 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 3,-0.5 0.923 118.9 46.6 -67.9 -44.3 18.8 94.0 -2.8 124 926 A E H < S+ 0 0 8 -4,-2.8 5,-0.4 -5,-0.4 -1,-0.2 0.524 106.3 56.9 -86.7 -3.9 21.8 91.9 -1.9 125 927 A S H < S+ 0 0 81 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.645 115.5 40.2 -91.1 -16.0 20.9 89.0 -4.1 126 928 A K H < S+ 0 0 108 -4,-0.8 2,-0.3 -3,-0.5 -2,-0.2 0.784 118.5 43.7 -97.7 -32.0 21.0 91.4 -7.1 127 929 A Y S < S- 0 0 12 -4,-2.1 2,-1.1 -5,-0.1 -1,-0.1 -0.824 90.9-102.4-120.1 155.3 24.0 93.6 -6.2 128 930 A S + 0 0 28 -2,-0.3 -73,-1.8 2,-0.1 2,-0.1 -0.652 53.8 145.7 -89.2 98.4 27.4 92.6 -4.8 129 931 A T B -k 55 0B 7 -2,-1.1 -73,-0.2 -5,-0.4 17,-0.1 -0.344 68.5 -85.0-108.1-168.5 27.8 93.1 -1.1 130 932 A Y S S+ 0 0 31 -75,-0.6 2,-0.7 15,-0.2 3,-0.1 0.517 96.5 109.1 -80.8 -1.7 29.8 91.1 1.4 131 933 A A - 0 0 13 1,-0.2 -2,-0.3 11,-0.1 8,-0.1 -0.647 53.1-166.4 -75.4 114.5 26.8 88.8 1.7 132 934 A E S S- 0 0 188 -2,-0.7 2,-0.3 6,-0.3 -1,-0.2 0.829 78.9 -2.2 -70.9 -31.0 27.8 85.5 0.1 133 935 A S S S- 0 0 53 2,-0.2 -1,-0.2 -3,-0.1 -8,-0.0 -0.923 71.2-121.3-146.9 169.1 24.1 84.5 0.2 134 936 A T + 0 0 33 -2,-0.3 -9,-0.1 4,-0.1 -10,-0.1 0.010 68.3 118.5-110.1 29.0 20.9 86.1 1.5 135 937 A T S > S- 0 0 63 1,-0.1 4,-2.6 -14,-0.0 5,-0.3 -0.472 86.0 -98.5 -74.7 165.1 19.8 83.5 4.0 136 938 A P H > S+ 0 0 68 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.892 128.2 51.5 -52.6 -40.7 19.7 84.7 7.6 137 939 A Q H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.905 109.8 47.8 -61.7 -42.8 23.1 83.1 8.1 138 940 A G H > S+ 0 0 11 2,-0.2 4,-0.5 -3,-0.2 -6,-0.3 0.883 114.0 47.1 -68.9 -37.1 24.6 84.8 5.0 139 941 A I H >< S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.2 4,-0.2 0.950 113.1 48.6 -70.3 -48.5 23.2 88.2 6.1 140 942 A A H >< S+ 0 0 35 -4,-2.6 3,-1.4 -5,-0.3 -2,-0.2 0.887 106.5 56.8 -58.0 -40.4 24.4 87.8 9.7 141 943 A A H 3< S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.660 110.6 44.5 -67.9 -13.0 27.9 86.8 8.6 142 944 A S T X< S+ 0 0 3 -3,-1.3 3,-2.4 -4,-0.5 -1,-0.3 0.240 75.9 116.7-113.5 13.4 28.3 90.0 6.6 143 945 A R G X + 0 0 22 -3,-1.4 3,-1.6 1,-0.3 27,-1.4 0.753 66.8 65.5 -54.0 -33.7 26.9 92.4 9.3 144 946 A X G 3 S+ 0 0 22 1,-0.3 -1,-0.3 -4,-0.2 131,-0.1 0.627 103.1 49.6 -65.1 -11.1 30.2 94.2 9.7 145 947 A H G < S+ 0 0 15 -3,-2.4 -88,-2.0 -90,-0.1 2,-0.4 0.031 99.0 82.4-113.9 23.1 29.7 95.4 6.1 146 948 A R E < +d 57 0A 2 -3,-1.6 24,-1.7 -90,-0.2 25,-1.5 -0.990 51.8 177.7-137.2 132.8 26.1 96.7 6.5 147 949 A G E -de 58 171A 0 -90,-2.3 -88,-2.5 -2,-0.4 2,-0.3 -0.926 11.8-159.7-135.1 160.3 24.8 100.0 7.9 148 950 A F E +de 59 172A 0 23,-2.4 25,-2.6 -2,-0.3 2,-0.3 -0.999 20.4 152.2-139.5 135.2 21.5 101.7 8.5 149 951 A G E +de 60 173A 0 -90,-2.6 -88,-2.6 -2,-0.3 2,-0.3 -0.931 7.9 166.3-150.7 179.1 20.7 105.4 9.0 150 952 A G E -de 61 174A 0 23,-1.8 25,-2.6 -2,-0.3 2,-0.4 -0.931 30.2-101.5 171.3 162.0 17.9 107.9 8.4 151 953 A F E > S- e 0 175A 7 -90,-2.2 3,-2.5 -2,-0.3 2,-0.3 -0.885 72.9 -39.4-110.6 129.8 16.5 111.3 9.1 152 954 A X T >> S+ 0 0 42 23,-2.6 4,-2.1 -2,-0.4 3,-1.3 -0.457 141.6 13.0 67.8-116.8 13.7 112.3 11.5 153 955 A X H 3> S+ 0 0 51 -2,-0.3 4,-2.2 1,-0.3 -1,-0.3 0.848 133.3 55.6 -57.8 -29.0 11.0 109.6 11.3 154 956 A G H <> S+ 0 0 0 -3,-2.5 4,-1.5 2,-0.2 -2,-0.3 0.699 102.0 54.9 -74.4 -21.3 13.8 107.7 9.4 155 957 A G H <> S+ 0 0 0 -3,-1.3 4,-1.9 20,-0.3 -2,-0.2 0.888 107.1 49.8 -71.8 -44.2 16.0 108.3 12.5 156 958 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.916 108.6 53.5 -54.4 -44.5 13.3 106.7 14.5 157 959 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.925 106.4 53.7 -55.9 -44.6 13.3 103.9 11.9 158 960 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.882 106.4 50.2 -57.6 -45.7 17.1 103.5 12.5 159 961 A W H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.919 111.9 47.6 -64.9 -39.5 16.7 103.1 16.3 160 962 A Y H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.873 111.2 52.2 -68.8 -33.3 14.1 100.4 15.8 161 963 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.932 109.2 50.9 -62.5 -44.3 16.4 98.7 13.2 162 964 A X H X S+ 0 0 2 -4,-2.6 4,-0.5 1,-0.2 3,-0.5 0.957 111.6 44.8 -60.0 -50.0 19.2 98.8 15.8 163 965 A V H < S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 125.3 33.1 -74.0 -18.5 17.3 97.2 18.6 164 966 A N H < S+ 0 0 12 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.517 123.4 40.7-109.9 -5.8 15.8 94.5 16.3 165 967 A C H >X + 0 0 0 -4,-1.8 4,-1.9 -3,-0.5 3,-1.2 0.007 61.0 122.8-136.5 27.0 18.6 93.9 13.8 166 968 A L T 3< S+ 0 0 9 -4,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.835 77.1 63.1 -59.1 -28.8 21.9 93.9 15.6 167 969 A D T 34 S+ 0 0 44 1,-0.2 -24,-0.3 -3,-0.1 -1,-0.2 0.792 115.2 30.0 -64.5 -25.2 22.4 90.5 14.2 168 970 A Y T <4 S+ 0 0 14 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.615 119.6 48.5-107.6 -17.5 22.3 91.9 10.6 169 971 A V < + 0 0 0 -4,-1.9 -1,-0.2 -8,-0.1 -22,-0.2 -0.989 42.7 176.4-136.4 134.3 23.7 95.4 11.0 170 972 A A + 0 0 0 -24,-1.7 37,-2.4 -27,-1.4 2,-0.4 0.701 67.8 58.8-105.6 -24.2 26.8 96.8 12.7 171 973 A Y E -ef 147 207A 0 -25,-1.5 -23,-2.4 -28,-0.3 2,-0.4 -0.940 60.0-172.5-120.0 130.3 26.8 100.6 11.8 172 974 A F E -ef 148 208A 1 35,-2.3 37,-2.9 -2,-0.4 -23,-0.2 -0.975 12.5-176.1-127.5 135.1 24.0 103.0 12.7 173 975 A X E -e 149 0A 0 -25,-2.6 -23,-1.8 -2,-0.4 2,-0.4 -0.661 8.6-179.0-129.9 72.5 23.4 106.6 11.7 174 976 A P E -e 150 0A 0 0, 0.0 37,-1.9 0, 0.0 2,-0.5 -0.653 10.3-166.4 -74.4 124.0 20.4 108.1 13.4 175 977 A L E -eg 151 211A 0 -25,-2.6 -23,-2.6 -2,-0.4 -20,-0.3 -0.966 62.0 -23.5-118.6 120.4 19.9 111.7 12.3 176 978 A S S S+ 0 0 1 35,-2.6 2,-0.3 -2,-0.5 -21,-0.2 0.860 109.6 100.3 49.7 48.5 17.5 114.1 14.0 177 979 A G - 0 0 6 34,-0.2 2,-0.2 -22,-0.2 -1,-0.1 -0.964 55.3-148.3-157.3 143.3 15.3 111.4 15.5 178 980 A D - 0 0 12 -2,-0.3 2,-0.5 -3,-0.1 -19,-0.1 -0.632 31.4 -98.3-108.2 167.1 15.0 109.7 18.9 179 981 A Y - 0 0 0 -2,-0.2 9,-0.1 42,-0.2 -23,-0.1 -0.789 27.5-155.0 -85.4 120.5 14.0 106.2 19.9 180 982 A W + 0 0 48 -2,-0.5 286,-2.7 -24,-0.1 2,-1.1 0.402 59.0 107.9 -84.1 10.0 10.3 106.2 21.0 181 983 A Y + 0 0 17 284,-0.2 10,-0.2 7,-0.1 2,-0.2 -0.704 69.5 25.4 -98.3 96.6 10.5 103.2 23.2 182 984 A G S S- 0 0 0 -2,-1.1 284,-0.2 284,-0.2 281,-0.0 -0.562 72.3-108.0 136.0 162.3 10.2 104.1 26.8 183 985 A N S S+ 0 0 56 -2,-0.2 -1,-0.1 281,-0.1 -2,-0.0 0.294 100.6 26.7-103.4 4.7 8.9 106.8 29.2 184 986 A S S > S- 0 0 32 -3,-0.1 4,-1.8 1,-0.1 3,-0.1 -0.968 86.3-104.6-155.0 162.9 12.3 108.1 30.1 185 987 A P H > S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.819 121.9 56.4 -60.0 -31.3 15.8 108.4 28.5 186 988 A Q H > S+ 0 0 110 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 103.1 52.3 -66.9 -40.8 16.9 105.6 30.8 187 989 A D H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 112.4 48.0 -58.9 -43.9 14.1 103.3 29.5 188 990 A K H X S+ 0 0 7 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.938 113.4 44.1 -63.0 -51.8 15.4 104.1 26.0 189 991 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.870 113.5 52.5 -61.9 -38.3 19.1 103.4 26.8 190 992 A N H X S+ 0 0 74 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.863 105.0 54.7 -66.9 -37.0 18.2 100.3 28.7 191 993 A S H X S+ 0 0 10 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.913 111.3 45.1 -61.0 -43.0 16.2 98.9 25.8 192 994 A I H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.926 112.6 51.2 -66.2 -43.9 19.3 99.4 23.6 193 995 A A H X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.911 108.8 51.3 -58.6 -43.4 21.5 97.8 26.2 194 996 A E H X S+ 0 0 115 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.892 108.9 50.9 -63.5 -38.8 19.2 94.8 26.5 195 997 A A H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.910 110.6 48.8 -63.2 -42.7 19.3 94.3 22.8 196 998 A I H X>S+ 0 0 4 -4,-2.4 4,-1.1 2,-0.2 5,-0.6 0.948 110.9 51.1 -65.1 -43.4 23.1 94.4 22.8 197 999 A N H ><5S+ 0 0 102 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.950 110.5 48.5 -53.4 -52.6 23.1 91.9 25.7 198 1000 A R H 3<5S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.860 106.8 56.6 -60.2 -35.3 20.8 89.6 23.8 199 1001 A S H 3<5S- 0 0 45 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.724 95.9-141.4 -67.9 -24.4 23.0 89.8 20.7 200 1002 A G T <<5 + 0 0 67 -3,-1.2 -3,-0.1 -4,-1.1 -1,-0.1 0.401 48.2 150.3 74.6 0.8 26.1 88.7 22.5 201 1003 A L < - 0 0 33 -5,-0.6 -1,-0.2 1,-0.1 2,-0.1 -0.256 44.1-124.3 -68.7 151.0 28.1 91.1 20.6 202 1004 A S > - 0 0 55 -3,-0.1 3,-1.7 1,-0.1 4,-0.1 -0.391 31.3-103.0 -83.0 166.0 31.3 92.8 21.8 203 1005 A K T 3 S+ 0 0 76 1,-0.3 3,-0.4 2,-0.2 33,-0.2 0.605 121.4 61.8 -66.3 -12.3 31.7 96.6 22.0 204 1006 A R T 3 S+ 0 0 83 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.263 95.5 64.0 -93.6 12.1 33.9 96.4 18.9 205 1007 A E S < S+ 0 0 66 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.287 99.3 43.2-123.3 4.6 31.0 94.9 16.8 206 1008 A Y - 0 0 3 -3,-0.4 2,-0.4 -4,-0.1 -35,-0.2 -0.985 61.3-170.4-149.7 148.8 28.4 97.7 16.7 207 1009 A F E -f 171 0A 0 -37,-2.4 -35,-2.3 -2,-0.3 2,-0.5 -1.000 6.7-162.2-145.6 136.2 28.9 101.5 16.1 208 1010 A V E +fh 172 246A 0 37,-2.5 39,-2.2 -2,-0.4 2,-0.6 -0.980 8.2 178.6-126.4 119.6 26.5 104.5 16.5 209 1011 A F E - h 0 247A 0 -37,-2.9 2,-0.2 -2,-0.5 39,-0.2 -0.907 18.2-178.7-119.6 96.3 27.2 107.8 14.8 210 1012 A A E + h 0 248A 0 37,-2.7 39,-2.7 -2,-0.6 2,-0.3 -0.627 1.7 177.4 -91.7 154.8 24.3 110.0 15.7 211 1013 A A E +gh 175 249A 0 -37,-1.9 -35,-2.6 37,-0.2 2,-0.3 -0.997 12.4 152.6-154.1 156.3 23.8 113.6 14.5 212 1014 A T E - 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0 0 6 34,-0.2 2,-0.2 -22,-0.2 -1,-0.1 -0.953 56.1-148.0-157.3 142.0 0.9 97.8 30.9 462 980 B D - 0 0 12 -2,-0.3 2,-0.6 -3,-0.1 -19,-0.1 -0.645 33.0 -96.7-105.9 169.3 1.1 100.9 28.9 463 981 B Y - 0 0 0 -2,-0.2 2,-1.4 42,-0.2 -23,-0.1 -0.773 27.8-155.1 -87.6 119.5 2.2 101.5 25.3 464 982 B W + 0 0 51 -2,-0.6 2,-0.2 -24,-0.1 3,-0.1 -0.655 59.1 108.8 -96.4 69.9 5.8 102.5 25.1 465 983 B Y + 0 0 19 -2,-1.4 10,-0.2 -284,-0.1 -284,-0.2 -0.690 69.5 23.8-141.1 87.6 5.7 104.3 21.8 466 984 B G S S- 0 0 0 -286,-2.7 -284,-0.2 -284,-0.2 -1,-0.1 -0.500 70.7-108.0 138.5 160.3 6.0 108.1 22.4 467 985 B N S S+ 0 0 53 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.0 0.373 100.8 30.9-100.9 5.9 7.3 110.8 24.6 468 986 B S S > S- 0 0 31 -3,-0.1 4,-1.6 1,-0.1 -3,-0.1 -0.957 85.6-107.8-155.1 156.8 3.9 111.9 25.8 469 987 B P H > S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.819 122.2 56.3 -59.4 -29.8 0.4 110.3 26.4 470 988 B Q H > S+ 0 0 108 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.892 101.8 52.2 -67.6 -42.5 -0.6 112.2 23.3 471 989 B D H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 112.7 49.0 -56.6 -41.5 2.1 110.6 21.1 472 990 B K H X S+ 0 0 9 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.961 114.3 42.4 -62.7 -53.4 0.8 107.2 22.4 473 991 B A H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.887 113.9 52.4 -62.0 -43.0 -2.9 108.0 21.7 474 992 B N H X S+ 0 0 74 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.857 104.9 55.2 -63.5 -32.6 -2.0 109.5 18.4 475 993 B S H X S+ 0 0 8 -4,-1.8 4,-1.9 -10,-0.2 -1,-0.2 0.897 111.1 45.9 -62.8 -42.6 -0.1 106.4 17.3 476 994 B I H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.933 112.6 49.9 -66.4 -46.1 -3.2 104.3 18.1 477 995 B A H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.904 109.4 51.8 -59.0 -43.1 -5.4 106.8 16.2 478 996 B E H X S+ 0 0 104 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.894 109.0 50.4 -63.0 -39.2 -3.1 106.7 13.2 479 997 B A H X S+ 0 0 6 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.909 110.8 49.2 -63.9 -39.5 -3.2 103.0 13.1 480 998 B I H X>S+ 0 0 4 -4,-2.4 4,-1.0 2,-0.2 5,-0.6 0.941 110.6 50.7 -65.2 -45.2 -7.0 103.0 13.3 481 999 B N H ><5S+ 0 0 105 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.939 110.2 49.7 -55.7 -47.5 -7.1 105.6 10.4 482 1000 B R H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 106.1 56.5 -60.4 -34.4 -4.8 103.4 8.3 483 1001 B S H 3<5S- 0 0 43 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.717 96.6-140.7 -71.4 -21.5 -6.9 100.3 8.9 484 1002 B G T <<5 + 0 0 66 -4,-1.0 -3,-0.1 -3,-0.9 -2,-0.1 0.422 49.0 149.5 72.4 2.0 -10.0 102.1 7.5 485 1003 B L < - 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