==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-OCT-04 1WB6 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE Y; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR N.TARBOURIECH,J.A.PRATES,C.FONTES,G.J.DAVIES . 566 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 6.0 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 . 35 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 24.0 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 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 2 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 . 3 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 88,-0.0 0.000 360.0 360.0 360.0 -54.1 43.0 109.3 2.6 2 804 A F + 0 0 26 87,-0.5 2,-0.4 268,-0.0 280,-0.1 -0.240 360.0 178.1 -65.4 133.8 40.5 108.9 5.4 3 805 A K - 0 0 122 -2,-0.0 280,-0.1 237,-0.0 2,-0.1 -0.999 30.6-114.9-130.4 133.2 41.7 109.1 9.0 4 806 A Y - 0 0 23 279,-2.6 2,-0.3 -2,-0.4 236,-0.1 -0.397 24.1-157.9 -60.8 137.8 39.5 108.8 12.1 5 807 A E - 0 0 113 234,-0.2 3,-0.5 -2,-0.1 236,-0.1 -0.852 17.7-134.8-103.9 155.0 39.2 111.9 14.4 6 808 A S S S+ 0 0 80 -2,-0.3 233,-2.0 1,-0.2 234,-0.4 0.697 100.4 20.9 -85.6 -20.6 38.1 111.3 18.0 7 809 A A S S- 0 0 50 231,-0.2 -1,-0.2 232,-0.2 240,-0.0 -0.498 84.2-164.5-143.1 67.7 35.6 114.3 18.0 8 810 A V - 0 0 10 -3,-0.5 2,-0.3 1,-0.1 -4,-0.0 -0.215 11.0-141.4 -59.5 140.2 34.8 115.0 14.4 9 811 A Q - 0 0 133 240,-0.1 2,-0.1 1,-0.1 242,-0.1 -0.738 24.7 -89.9-103.7 155.1 33.2 118.4 13.9 10 812 A Y + 0 0 48 240,-0.3 254,-0.1 -2,-0.3 -1,-0.1 -0.400 48.9 166.3 -61.3 132.7 30.4 119.4 11.5 11 813 A R - 0 0 133 252,-0.2 2,-0.0 -2,-0.1 256,-0.0 -0.924 29.1-133.4-148.7 116.2 31.6 120.5 8.1 12 814 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 248,-0.1 -0.399 31.9-101.3 -64.8 152.5 29.3 120.9 5.1 13 815 A A - 0 0 3 1,-0.1 5,-0.1 2,-0.1 250,-0.1 -0.448 53.9 -87.7 -59.7 148.7 30.3 119.4 1.8 14 816 A P > - 0 0 41 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.211 37.4-112.0 -53.8 150.8 31.7 122.1 -0.5 15 817 A D G > S+ 0 0 138 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.837 117.5 65.1 -55.4 -33.6 29.0 123.8 -2.6 16 818 A S G > S+ 0 0 69 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.767 89.0 67.3 -63.4 -22.8 30.5 122.2 -5.7 17 819 A Y G < S+ 0 0 25 -3,-2.0 -1,-0.3 1,-0.2 67,-0.3 0.642 90.1 65.0 -71.5 -12.4 29.5 118.8 -4.3 18 820 A L G < S+ 0 0 24 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.560 91.9 75.7 -88.8 -6.3 25.8 119.7 -4.8 19 821 A N S < S- 0 0 94 -3,-1.2 0, 0.0 -4,-0.3 0, 0.0 -0.641 101.1 -76.3-100.5 157.8 26.2 119.9 -8.5 20 822 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.226 41.5-143.0 -57.3 141.4 26.5 116.8 -10.8 21 823 A C - 0 0 8 1,-0.1 3,-0.2 -4,-0.1 63,-0.0 -0.827 13.1-134.2-100.2 138.8 29.8 114.9 -10.9 22 824 A P S S+ 0 0 111 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 0.792 103.6 65.7 -63.3 -26.2 31.0 113.4 -14.2 23 825 A Q S S+ 0 0 72 24,-0.1 2,-0.4 60,-0.0 24,-0.3 -0.543 82.9 175.4 -92.2 66.9 31.8 110.1 -12.3 24 826 A A - 0 0 53 -2,-1.4 24,-0.2 -3,-0.2 2,-0.1 -0.628 27.6-133.6 -87.3 126.4 28.2 109.5 -11.6 25 827 A G - 0 0 10 -2,-0.4 2,-0.3 54,-0.3 22,-0.1 -0.418 30.8-107.0 -63.5 148.8 26.9 106.4 -10.0 26 828 A R E -A 45 0A 176 19,-0.6 19,-3.0 20,-0.2 2,-0.5 -0.607 25.7-151.9 -79.7 135.2 23.9 104.7 -11.5 27 829 A I E -A 44 0A 58 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.963 12.3-164.1-110.3 120.4 20.6 105.0 -9.7 28 830 A V E -A 43 0A 18 15,-2.8 15,-2.5 -2,-0.5 2,-0.5 -0.928 12.1-144.0-111.1 122.4 18.3 102.1 -10.4 29 831 A K E -A 42 0A 100 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.770 27.2-171.0 -83.3 123.7 14.6 102.2 -9.6 30 832 A E E -A 41 0A 16 11,-3.0 11,-1.9 -2,-0.5 2,-0.4 -0.846 16.3-159.3-118.4 152.4 13.4 98.8 -8.3 31 833 A T E +A 40 0A 79 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 20.3 162.5-131.8 132.5 10.1 97.2 -7.6 32 834 A Y E -A 39 0A 11 7,-2.8 7,-2.7 -2,-0.4 2,-0.4 -0.912 31.5-126.0-141.6 165.6 9.6 94.2 -5.4 33 835 A T E +A 38 0A 99 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.989 40.8 144.2-122.3 130.8 6.8 92.4 -3.5 34 836 A G E > -A 37 0A 19 3,-1.9 3,-2.1 -2,-0.4 80,-0.1 -0.615 66.9 -51.9-141.1-156.8 7.1 91.7 0.2 35 837 A I T 3 S+ 0 0 58 1,-0.3 70,-0.2 -2,-0.2 3,-0.1 0.635 134.4 47.6 -69.3 -15.6 5.0 91.5 3.4 36 838 A N T 3 S- 0 0 15 1,-0.4 -1,-0.3 68,-0.1 70,-0.2 0.082 118.0-109.3-109.6 23.4 3.7 95.0 2.7 37 839 A G E < -A 34 0A 29 -3,-2.1 -3,-1.9 67,-0.1 2,-0.5 -0.430 67.0 -13.9 86.9-163.1 2.8 94.4 -0.9 38 840 A T E S+A 33 0A 97 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.665 75.1 157.7 -83.4 125.4 4.4 95.7 -4.0 39 841 A K E -A 32 0A 12 -7,-2.7 -7,-2.8 -2,-0.5 2,-0.3 -0.899 28.2-130.8-142.2 169.9 6.8 98.6 -3.3 40 842 A S E +A 31 0A 24 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.785 18.4 174.7-127.6 162.7 9.7 100.4 -4.8 41 843 A L E -A 30 0A 0 -11,-1.9 -11,-3.0 -2,-0.3 2,-0.4 -0.954 26.3-119.0-151.4 168.3 13.2 101.6 -3.8 42 844 A N E -AB 29 98A 11 56,-1.8 56,-2.7 -2,-0.3 2,-0.5 -0.958 16.5-156.1-114.0 143.9 16.2 103.1 -5.4 43 845 A V E -AB 28 97A 0 -15,-2.5 -15,-2.8 -2,-0.4 2,-0.6 -0.969 4.0-156.0-117.7 119.3 19.7 101.6 -5.5 44 846 A Y E -AB 27 96A 1 52,-3.3 52,-1.9 -2,-0.5 -17,-0.2 -0.838 11.1-165.4 -88.3 122.3 22.8 103.9 -6.0 45 847 A L E -A 26 0A 11 -19,-3.0 -19,-0.6 -2,-0.6 50,-0.1 -0.907 24.9-112.5-105.7 135.8 25.6 101.9 -7.4 46 848 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 -20,-0.2 -0.269 40.8 -88.3 -67.0 154.4 29.1 103.6 -7.2 47 849 A Y T 3 S+ 0 0 131 -24,-0.3 -22,-0.2 1,-0.3 3,-0.1 -0.373 119.6 23.7 -58.1 132.3 30.8 104.8 -10.4 48 850 A G T 3 S- 0 0 61 1,-0.2 -1,-0.3 -24,-0.2 -23,-0.1 0.565 86.4-177.2 82.6 9.0 32.8 101.8 -11.7 49 851 A Y < - 0 0 52 -3,-2.1 -1,-0.2 1,-0.1 -4,-0.0 -0.140 5.0-169.6 -43.8 127.8 30.6 99.3 -10.0 50 852 A D > - 0 0 60 -3,-0.1 3,-2.4 78,-0.1 -1,-0.1 -0.973 18.1-152.6-128.1 110.6 32.0 95.8 -10.7 51 853 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.592 95.3 65.1 -65.0 -8.6 29.7 92.9 -9.6 52 854 A N T 3 S+ 0 0 147 2,-0.1 2,-0.2 76,-0.0 -3,-0.0 0.469 96.2 68.8 -92.0 4.3 32.8 90.7 -9.2 53 855 A K S < S- 0 0 127 -3,-2.4 2,-0.5 75,-0.0 75,-0.0 -0.631 86.4-119.5-106.9 165.7 33.9 93.0 -6.3 54 856 A K - 0 0 100 -2,-0.2 2,-0.4 76,-0.1 75,-0.2 -0.962 28.4-163.1-111.6 132.3 32.2 93.2 -2.9 55 857 A Y - 0 0 20 73,-2.0 75,-0.5 -2,-0.5 39,-0.2 -0.876 22.0-116.3-117.3 141.2 30.8 96.6 -1.7 56 858 A N E -c 94 0A 14 37,-0.6 39,-2.6 -2,-0.4 2,-0.4 -0.321 35.2-145.2 -53.7 154.2 29.6 97.9 1.6 57 859 A I E -cd 95 146A 0 88,-2.0 90,-2.2 37,-0.2 2,-0.4 -0.996 16.1-171.9-136.3 135.3 25.9 98.7 1.7 58 860 A F E -cd 96 147A 0 37,-2.5 39,-2.5 -2,-0.4 2,-0.4 -0.987 9.4-156.0-128.3 119.0 24.1 101.5 3.5 59 861 A Y E -cd 97 148A 0 88,-2.5 90,-2.5 -2,-0.4 2,-0.4 -0.846 14.2-167.3 -96.3 134.1 20.3 101.6 3.6 60 862 A L E - d 0 149A 0 37,-2.9 2,-0.4 -2,-0.4 90,-0.3 -0.976 5.4-150.6-136.3 118.0 18.9 105.1 4.2 61 863 A M E - d 0 150A 0 88,-2.6 90,-2.2 -2,-0.4 93,-0.2 -0.717 9.9-133.4-100.2 136.0 15.4 106.0 5.1 62 864 A H - 0 0 1 37,-0.5 2,-0.1 -2,-0.4 3,-0.1 -0.082 26.1-109.6 -67.5 175.8 13.4 109.2 4.3 63 865 A G > - 0 0 1 1,-0.2 3,-1.7 90,-0.2 89,-0.1 -0.267 52.0 -50.5-102.1-173.8 11.3 111.2 6.8 64 866 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.298 123.7 16.3 -62.8 139.7 7.6 111.7 7.2 65 867 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.463 108.8 101.5 80.7 0.2 5.7 112.7 4.2 66 868 A E < - 0 0 42 -3,-1.7 -1,-0.3 2,-0.0 2,-0.3 -0.344 53.9-151.6-108.6-174.1 8.5 111.6 1.9 67 869 A N > - 0 0 59 -2,-0.1 3,-1.6 -3,-0.1 4,-0.5 -0.871 41.0 -75.4-151.7-178.9 9.1 108.6 -0.2 68 870 A E T 3 S+ 0 0 31 1,-0.3 -26,-0.2 -2,-0.3 4,-0.2 0.564 125.8 52.4 -62.3 -15.9 11.8 106.3 -1.8 69 871 A N T 3 S+ 0 0 58 1,-0.1 4,-0.4 2,-0.1 -1,-0.3 0.509 85.9 85.6 -95.3 -11.2 12.6 109.0 -4.4 70 872 A T S X S+ 0 0 17 -3,-1.6 3,-1.4 1,-0.2 7,-0.3 0.909 83.3 52.8 -61.1 -47.8 13.1 111.9 -2.0 71 873 A I T 3 S+ 0 0 2 -4,-0.5 7,-1.9 1,-0.3 8,-0.3 0.842 116.8 39.1 -65.4 -30.5 16.8 111.5 -1.2 72 874 A F T 3 S+ 0 0 18 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.289 99.4 103.5 -99.5 10.6 17.9 111.3 -4.8 73 875 A S S X> S- 0 0 34 -3,-1.4 4,-2.3 -4,-0.4 3,-1.9 -0.329 92.6 -97.1 -81.8 172.9 15.4 114.0 -5.9 74 876 A N T 34 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 0.675 120.1 67.8 -64.4 -14.8 16.3 117.6 -6.7 75 877 A D T 34 S+ 0 0 127 -5,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.588 122.1 9.8 -79.0 -12.6 15.2 118.5 -3.2 76 878 A V T <4 S- 0 0 1 -3,-1.9 -2,-0.2 -6,-0.2 -4,-0.1 0.610 71.9-166.0-133.2 -52.2 18.2 116.7 -1.6 77 879 A K >X + 0 0 69 -4,-2.3 3,-1.5 -7,-0.3 4,-1.0 0.804 24.3 158.8 66.6 33.6 20.7 115.6 -4.3 78 880 A L H 3> + 0 0 2 -7,-1.9 4,-2.6 1,-0.3 5,-0.2 0.840 65.8 66.6 -61.0 -31.7 22.6 113.2 -2.1 79 881 A Q H 3> S+ 0 0 37 -8,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.809 96.2 56.0 -59.1 -30.8 23.9 111.3 -5.1 80 882 A N H <> S+ 0 0 20 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.926 109.3 45.6 -67.6 -44.0 25.9 114.4 -6.1 81 883 A I H X S+ 0 0 2 -4,-1.0 4,-2.6 2,-0.2 5,-0.2 0.932 114.9 47.9 -61.5 -48.2 27.6 114.3 -2.7 82 884 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.944 111.9 50.0 -57.4 -48.3 28.2 110.6 -2.9 83 885 A D H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.934 114.4 42.5 -57.6 -50.9 29.6 110.8 -6.4 84 886 A H H X S+ 0 0 34 -4,-2.4 4,-2.2 -67,-0.3 6,-0.2 0.899 113.9 51.1 -66.8 -39.0 32.0 113.6 -5.6 85 887 A A H <>S+ 0 0 2 -4,-2.6 5,-1.6 -5,-0.2 6,-1.4 0.887 113.4 45.3 -65.6 -40.8 33.1 112.1 -2.2 86 888 A I H ><5S+ 0 0 25 -4,-2.6 3,-1.0 -5,-0.2 -2,-0.2 0.930 112.4 51.0 -66.8 -44.3 33.8 108.7 -3.9 87 889 A M H 3<5S+ 0 0 90 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.891 112.1 47.4 -61.4 -38.3 35.7 110.3 -6.8 88 890 A N T 3<5S- 0 0 108 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.504 114.7-115.3 -84.3 -4.3 37.9 112.3 -4.5 89 891 A G T < 5S+ 0 0 42 -3,-1.0 -87,-0.5 -4,-0.4 -3,-0.2 0.516 84.8 116.4 86.3 8.3 38.7 109.3 -2.3 90 892 A E S S- 0 0 38 1,-0.3 3,-2.6 3,-0.2 -64,-0.1 0.365 91.0 -0.8 101.9 140.2 2.7 101.1 1.6 104 906 A G T 3 S- 0 0 62 1,-0.3 -1,-0.3 -66,-0.1 -68,-0.1 -0.275 127.8 -24.4 57.2-131.4 0.6 98.3 2.9 105 907 A N T 3 S+ 0 0 64 -70,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.247 103.0 132.7 -90.7 6.1 0.8 97.8 6.6 106 908 A C < + 0 0 8 -3,-2.6 2,-0.3 -70,-0.2 -3,-0.2 -0.363 27.1 170.0 -72.5 142.8 4.2 99.4 6.7 107 909 A T > - 0 0 17 -5,-0.1 4,-1.5 -2,-0.1 -5,-0.1 -0.916 49.8-104.7-135.5 166.6 5.2 102.1 9.2 108 910 A A T 4 S+ 0 0 8 -2,-0.3 4,-0.2 1,-0.2 52,-0.1 0.889 123.1 48.6 -57.4 -35.5 8.4 103.9 10.2 109 911 A Q T 4 S+ 0 0 5 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.886 118.1 35.4 -69.8 -43.7 8.2 101.7 13.4 110 912 A N T >> S+ 0 0 9 1,-0.2 3,-2.1 -5,-0.1 4,-0.6 0.457 83.3 102.7 -98.7 -0.6 7.6 98.3 11.8 111 913 A F H 3X + 0 0 0 -4,-1.5 4,-2.6 1,-0.3 3,-0.5 0.796 66.6 74.7 -56.4 -31.8 9.7 98.7 8.6 112 914 A Y H 3> S+ 0 0 3 -3,-0.4 4,-2.3 -4,-0.2 -1,-0.3 0.772 89.1 60.4 -51.7 -31.5 12.5 96.6 10.0 113 915 A Q H <> S+ 0 0 10 -3,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.954 109.9 39.2 -60.7 -52.7 10.3 93.5 9.5 114 916 A E H X>S+ 0 0 0 -4,-0.6 4,-2.6 -3,-0.5 5,-2.2 0.848 112.3 59.5 -64.7 -36.8 10.1 94.0 5.8 115 917 A F H <>S+ 0 0 0 -4,-2.6 5,-2.3 3,-0.2 -2,-0.2 0.950 110.4 41.0 -55.4 -50.7 13.8 95.1 5.7 116 918 A R H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.917 125.3 33.1 -64.6 -47.7 14.8 91.7 7.2 117 919 A Q H <5S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.807 135.5 8.9 -85.0 -32.7 12.5 89.5 5.1 118 920 A N T X5S+ 0 0 33 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.774 119.2 51.0-120.8 -50.2 12.2 91.2 1.8 119 921 A V H > S+ 0 0 32 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.913 115.4 48.6 -61.5 -36.7 17.3 89.5 0.1 122 924 A F H X S+ 0 0 61 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.958 120.0 34.9 -65.6 -52.8 15.9 91.4 -2.9 123 925 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 3,-0.5 0.926 120.3 46.6 -68.0 -48.3 18.7 94.0 -3.1 124 926 A E H < S+ 0 0 8 -4,-2.8 5,-0.4 -5,-0.4 -1,-0.2 0.603 106.4 57.1 -83.8 -7.8 21.6 91.8 -2.1 125 927 A S H < S+ 0 0 79 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.743 115.3 40.0 -81.6 -24.6 20.7 88.9 -4.3 126 928 A K H < S+ 0 0 112 -4,-0.8 2,-0.3 -3,-0.5 -2,-0.2 0.833 117.6 44.3 -89.0 -38.8 20.9 91.3 -7.3 127 929 A Y S < S- 0 0 21 -4,-2.2 2,-1.1 -5,-0.1 -1,-0.0 -0.744 89.1-100.3-115.2 161.5 23.9 93.4 -6.3 128 930 A S + 0 0 24 -2,-0.3 -73,-2.0 2,-0.1 2,-0.1 -0.630 54.5 143.9 -95.3 98.2 27.3 92.5 -5.0 129 931 A T - 0 0 6 -2,-1.1 -73,-0.2 -5,-0.4 17,-0.1 -0.329 69.7 -84.2-106.0-166.2 27.7 93.1 -1.3 130 932 A Y S S+ 0 0 34 -75,-0.5 2,-0.7 15,-0.2 3,-0.1 0.551 97.8 107.4 -80.4 -5.8 29.7 91.0 1.2 131 933 A A - 0 0 14 1,-0.2 -2,-0.3 11,-0.1 8,-0.1 -0.619 52.4-168.2 -71.9 114.0 26.7 88.6 1.5 132 934 A E S S+ 0 0 181 -2,-0.7 2,-0.3 6,-0.3 -1,-0.2 0.823 79.1 2.9 -72.9 -29.3 27.8 85.5 -0.3 133 935 A S S S- 0 0 54 2,-0.2 -1,-0.2 -3,-0.1 -8,-0.0 -0.939 70.8-125.0-142.3 168.4 24.1 84.4 -0.1 134 936 A T + 0 0 32 -2,-0.3 -9,-0.1 4,-0.1 -10,-0.1 0.047 68.1 118.3-109.6 24.6 20.9 86.0 1.2 135 937 A T S > S- 0 0 66 1,-0.1 4,-2.5 -14,-0.0 5,-0.3 -0.430 86.5 -99.3 -66.8 162.1 19.9 83.3 3.6 136 938 A P H > S+ 0 0 66 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.896 127.9 52.0 -50.5 -40.9 19.7 84.5 7.2 137 939 A Q H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.913 109.5 47.7 -63.8 -43.8 23.1 82.9 7.7 138 940 A G H > S+ 0 0 10 2,-0.2 4,-0.5 1,-0.2 -6,-0.3 0.878 113.8 47.7 -67.0 -34.9 24.6 84.7 4.7 139 941 A I H >< S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.946 113.4 47.3 -69.6 -49.0 23.2 88.1 5.8 140 942 A A H >< S+ 0 0 35 -4,-2.8 3,-1.4 -5,-0.3 -2,-0.2 0.878 106.7 57.8 -60.8 -37.2 24.4 87.7 9.4 141 943 A A H 3< S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.681 110.6 43.4 -68.4 -16.9 27.8 86.6 8.2 142 944 A S T X< S+ 0 0 3 -3,-1.2 3,-2.1 -4,-0.5 -1,-0.3 0.196 77.0 117.1-112.0 16.7 28.2 89.9 6.3 143 945 A R G X + 0 0 23 -3,-1.4 3,-1.5 1,-0.3 27,-1.3 0.745 64.3 67.0 -61.2 -28.9 26.8 92.2 9.0 144 946 A M G 3 S+ 0 0 16 1,-0.3 -1,-0.3 -4,-0.2 131,-0.2 0.655 102.7 49.1 -68.8 -8.7 30.0 94.2 9.5 145 947 A H G < S+ 0 0 11 -3,-2.1 -88,-2.0 -90,-0.1 2,-0.4 0.049 98.0 83.7-116.6 22.9 29.6 95.6 6.0 146 948 A R E < +d 57 0A 1 -3,-1.5 24,-1.7 -90,-0.2 25,-1.5 -0.990 52.5 178.6-133.0 133.4 26.0 96.6 6.3 147 949 A G E -de 58 171A 0 -90,-2.2 -88,-2.5 -2,-0.4 2,-0.3 -0.909 12.7-158.5-134.5 161.4 24.6 99.9 7.7 148 950 A F E +de 59 172A 0 23,-2.3 25,-2.5 -2,-0.3 2,-0.3 -0.997 20.4 152.4-139.3 135.2 21.3 101.6 8.3 149 951 A G E +de 60 173A 0 -90,-2.5 -88,-2.6 -2,-0.3 2,-0.3 -0.899 8.0 168.3-148.9 178.6 20.4 105.3 8.8 150 952 A G E -de 61 174A 0 23,-1.8 25,-2.7 -90,-0.3 2,-0.4 -0.924 29.1-102.4 173.3 162.0 17.6 107.7 8.2 151 953 A F E > S- e 0 175A 8 -90,-2.2 3,-2.6 -2,-0.3 2,-0.2 -0.885 72.4 -38.8-109.1 129.5 16.1 111.1 8.9 152 954 A A T >> S+ 0 0 15 23,-2.5 4,-2.0 -2,-0.4 3,-1.3 -0.414 141.8 11.7 67.9-117.6 13.4 112.2 11.3 153 955 A M H 3> S+ 0 0 50 1,-0.3 4,-2.0 -2,-0.2 -1,-0.3 0.823 133.4 56.4 -59.2 -28.0 10.7 109.5 11.2 154 956 A G H <> S+ 0 0 0 -3,-2.6 4,-1.7 2,-0.2 -2,-0.3 0.691 100.3 56.7 -71.6 -22.5 13.5 107.6 9.3 155 957 A G H <> S+ 0 0 0 -3,-1.3 4,-1.9 20,-0.3 -2,-0.2 0.877 106.0 49.9 -66.9 -46.7 15.7 108.1 12.3 156 958 A L H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.935 108.0 54.0 -52.2 -46.8 13.0 106.4 14.4 157 959 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.929 105.5 54.5 -54.0 -43.7 13.1 103.6 11.8 158 960 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.890 106.2 49.6 -58.6 -44.1 16.8 103.4 12.3 159 961 A W H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.912 111.6 48.8 -64.8 -39.4 16.5 102.9 16.1 160 962 A Y H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.875 110.4 52.2 -69.3 -33.1 13.9 100.1 15.5 161 963 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.932 109.5 50.3 -63.0 -46.5 16.2 98.5 13.0 162 964 A M H X S+ 0 0 2 -4,-2.7 4,-0.6 1,-0.2 3,-0.4 0.939 111.2 46.1 -55.9 -52.1 19.0 98.6 15.5 163 965 A V H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.842 125.5 31.5 -65.2 -28.1 17.0 97.0 18.3 164 966 A N H < S+ 0 0 9 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.477 123.5 42.2-107.7 -7.4 15.6 94.3 16.1 165 967 A C H >X + 0 0 0 -4,-1.7 4,-1.8 -3,-0.4 3,-1.5 0.061 60.3 122.8-135.9 25.0 18.4 93.7 13.5 166 968 A L T 3< S+ 0 0 7 -4,-0.6 -1,-0.1 1,-0.3 -3,-0.1 0.818 77.3 63.1 -57.6 -28.9 21.8 93.7 15.3 167 969 A D T 34 S+ 0 0 44 1,-0.2 -1,-0.3 -3,-0.1 -24,-0.3 0.765 115.4 29.5 -63.7 -27.5 22.3 90.3 13.8 168 970 A Y T <4 S+ 0 0 14 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.584 119.8 47.9-105.0 -20.6 22.2 91.8 10.3 169 971 A V < + 0 0 0 -4,-1.8 -1,-0.2 -8,-0.1 -22,-0.2 -0.993 43.1 176.5-137.2 133.6 23.6 95.3 10.7 170 972 A A + 0 0 0 -24,-1.7 37,-2.3 -27,-1.3 2,-0.4 0.654 68.0 59.0-105.6 -26.1 26.6 96.7 12.4 171 973 A Y E -ef 147 207A 0 -25,-1.5 -23,-2.3 -28,-0.3 2,-0.4 -0.951 59.9-172.0-120.4 131.1 26.6 100.4 11.6 172 974 A F E -ef 148 208A 1 35,-2.3 37,-2.9 -2,-0.4 -23,-0.2 -0.980 11.8-176.6-127.7 133.0 23.7 102.9 12.5 173 975 A M E -e 149 0A 0 -25,-2.5 -23,-1.8 -2,-0.4 2,-0.5 -0.662 8.5-178.0-129.1 72.2 23.2 106.5 11.5 174 976 A P E -e 150 0A 0 0, 0.0 37,-2.0 0, 0.0 2,-0.5 -0.642 10.8-163.9 -74.3 126.8 20.1 107.9 13.1 175 977 A L E -eg 151 211A 0 -25,-2.7 -23,-2.5 -2,-0.5 -20,-0.3 -0.944 61.4 -24.4-118.1 115.1 19.6 111.5 11.9 176 978 A S S S+ 0 0 2 35,-2.7 2,-0.3 -2,-0.5 -21,-0.2 0.853 110.9 95.3 51.6 48.8 17.3 113.9 13.8 177 979 A G - 0 0 7 34,-0.2 2,-0.2 -22,-0.2 34,-0.1 -0.946 57.3-146.2-162.6 142.4 15.1 111.3 15.4 178 980 A D - 0 0 6 -2,-0.3 2,-0.6 -3,-0.1 -19,-0.1 -0.551 32.6 -95.1-102.7 172.0 15.0 109.6 18.7 179 981 A Y - 0 0 0 -2,-0.2 -23,-0.1 42,-0.2 287,-0.1 -0.796 29.2-156.8 -89.0 117.6 13.9 106.0 19.7 180 982 A W + 0 0 49 -2,-0.6 286,-2.4 -24,-0.1 2,-1.2 0.475 57.4 109.4 -83.9 2.1 10.2 106.1 20.8 181 983 A Y B +K 465 0B 13 284,-0.2 10,-0.2 7,-0.1 284,-0.2 -0.628 69.7 26.2 -81.5 100.2 10.3 102.9 23.0 182 984 A G S S- 0 0 0 282,-2.5 284,-0.2 -2,-1.2 6,-0.0 -0.441 74.2-106.2 131.0 157.2 10.0 103.9 26.7 183 985 A N S S+ 0 0 60 -2,-0.2 -1,-0.1 282,-0.1 3,-0.0 0.388 100.2 25.1 -94.9 1.0 8.7 106.5 29.1 184 986 A S S > S- 0 0 31 -3,-0.1 4,-1.7 1,-0.1 3,-0.1 -0.971 85.7-103.6-151.5 165.1 12.1 107.9 29.9 185 987 A P H > S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.865 121.5 56.5 -60.5 -33.5 15.6 108.2 28.3 186 988 A Q H > S+ 0 0 109 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 103.4 53.0 -66.0 -37.8 16.8 105.5 30.6 187 989 A D H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 110.5 48.8 -60.8 -44.0 14.1 103.1 29.3 188 990 A K H X S+ 0 0 9 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.944 114.2 44.4 -60.4 -51.0 15.3 103.8 25.8 189 991 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.906 112.3 52.3 -60.2 -41.8 18.9 103.2 26.6 190 992 A N H X S+ 0 0 78 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.880 107.0 53.0 -67.2 -33.5 18.1 100.1 28.6 191 993 A S H X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.924 110.5 47.1 -64.2 -44.3 16.1 98.7 25.7 192 994 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 112.3 51.5 -63.0 -44.6 19.1 99.2 23.3 193 995 A A H X S+ 0 0 7 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.906 108.7 49.8 -59.3 -42.9 21.3 97.6 26.0 194 996 A E H X S+ 0 0 106 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.889 108.9 52.3 -66.1 -36.6 19.1 94.6 26.3 195 997 A A H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.924 110.7 48.0 -62.1 -42.8 19.1 94.2 22.5 196 998 A I H X>S+ 0 0 4 -4,-2.4 4,-1.1 2,-0.2 5,-0.6 0.939 111.4 50.5 -62.0 -46.7 22.9 94.2 22.6 197 999 A N H ><5S+ 0 0 103 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.941 110.7 49.0 -54.2 -50.7 22.9 91.7 25.4 198 1000 A R H 3<5S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 107.5 55.7 -59.9 -35.6 20.5 89.4 23.5 199 1001 A S H 3<5S- 0 0 46 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.732 96.1-141.0 -69.1 -25.3 22.7 89.6 20.4 200 1002 A G T <<5 + 0 0 66 -4,-1.1 -3,-0.1 -3,-0.9 -2,-0.1 0.394 49.4 147.5 76.6 -0.3 25.8 88.5 22.2 201 1003 A L < - 0 0 32 -5,-0.6 -1,-0.2 1,-0.1 2,-0.1 -0.262 45.4-123.8 -68.6 152.3 27.9 91.0 20.3 202 1004 A S > - 0 0 53 -3,-0.1 3,-1.9 1,-0.1 4,-0.1 -0.462 30.8-103.7 -82.6 167.2 31.0 92.8 21.6 203 1005 A K T 3 S+ 0 0 75 1,-0.3 3,-0.3 2,-0.2 33,-0.2 0.565 120.7 62.2 -68.0 -9.0 31.4 96.5 21.7 204 1006 A R T 3 S+ 0 0 80 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.273 96.1 62.6 -95.8 9.6 33.7 96.3 18.7 205 1007 A E S < S+ 0 0 63 -3,-1.9 2,-0.3 1,-0.1 -2,-0.2 0.302 99.9 45.3-123.0 5.6 30.9 94.8 16.6 206 1008 A Y - 0 0 3 -3,-0.3 2,-0.4 -4,-0.1 -35,-0.2 -0.984 61.2-170.0-149.4 150.0 28.2 97.6 16.5 207 1009 A F E -f 171 0A 0 -37,-2.3 -35,-2.3 -2,-0.3 2,-0.5 -1.000 6.7-162.8-146.2 132.6 28.6 101.4 16.0 208 1010 A V E +fh 172 246A 0 37,-2.5 39,-2.2 -2,-0.4 2,-0.6 -0.980 8.3 177.8-125.3 116.5 26.3 104.3 16.3 209 1011 A F E - h 0 247A 0 -37,-2.9 2,-0.2 -2,-0.5 39,-0.2 -0.913 16.8-178.2-117.3 94.6 27.0 107.7 14.7 210 1012 A A E + h 0 248A 0 37,-2.7 39,-2.6 -2,-0.6 2,-0.3 -0.640 2.0 179.4 -88.6 153.5 24.0 109.9 15.5 211 1013 A A E +gh 175 249A 0 -37,-2.0 -35,-2.7 -2,-0.2 2,-0.3 -0.997 12.0 150.7-154.1 152.4 23.6 113.4 14.3 212 1014 A T E - 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