==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-JUL-00 1F9O . COMPND 2 MOLECULE: ENDO-1,4-BETA-GLUCANASE F; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR G.PARSIEGLA,C.REVERBEL-LEROY,C.TARDIF,J.P.BELAICH,H.DRIGUEZ, . 629 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 26 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 3 0 0 0 1 2 0 0 0 2 0 2 0 2 4 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 13 7 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 5 3 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 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 1 A A 0 0 131 0, 0.0 248,-0.2 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 152.3 109.0 73.8 42.3 2 2 A S - 0 0 30 243,-0.1 3,-0.1 1,-0.1 243,-0.0 -0.245 360.0-106.1 -60.6 140.9 106.5 76.5 41.2 3 3 A S - 0 0 61 1,-0.1 -1,-0.1 622,-0.0 245,-0.0 -0.275 45.6 -88.6 -64.5 149.7 106.8 77.9 37.7 4 4 A P - 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.312 46.5-152.3 -62.5 142.0 108.2 81.4 37.2 5 5 A A - 0 0 21 -3,-0.1 2,-0.7 622,-0.1 620,-0.2 -0.848 29.1 -87.8-120.4 156.1 105.7 84.3 37.4 6 6 A N > - 0 0 15 618,-2.9 4,-2.0 -2,-0.3 3,-0.3 -0.437 38.2-154.0 -61.7 104.6 105.5 87.8 36.0 7 7 A K H > S+ 0 0 136 -2,-0.7 4,-2.3 621,-0.3 5,-0.2 0.779 86.4 60.0 -53.2 -36.4 107.3 89.8 38.6 8 8 A V H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.969 113.6 35.3 -59.2 -54.1 105.5 93.1 37.9 9 9 A Y H > S+ 0 0 11 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.752 113.5 58.5 -73.3 -25.1 102.1 91.7 38.7 10 10 A Q H X S+ 0 0 41 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.916 105.3 51.8 -68.4 -41.5 103.4 89.4 41.5 11 11 A D H X S+ 0 0 68 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 106.2 54.0 -59.6 -41.3 104.7 92.6 43.2 12 12 A R H X S+ 0 0 35 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.867 108.6 48.6 -63.8 -36.4 101.3 94.2 42.9 13 13 A F H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.943 110.5 50.5 -66.7 -48.3 99.7 91.3 44.6 14 14 A E H X S+ 0 0 76 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.870 110.6 51.2 -56.7 -38.9 102.3 91.3 47.4 15 15 A S H X S+ 0 0 39 -4,-2.3 4,-1.9 2,-0.2 3,-0.3 0.973 112.1 44.5 -62.8 -56.1 101.6 95.1 47.8 16 16 A M H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.888 109.8 57.7 -55.5 -41.2 97.8 94.6 48.1 17 17 A Y H X S+ 0 0 28 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.907 106.6 47.8 -58.2 -42.2 98.4 91.7 50.4 18 18 A S H X S+ 0 0 77 -4,-1.8 4,-1.3 -3,-0.3 -1,-0.2 0.870 112.8 49.3 -66.4 -36.8 100.3 93.9 52.9 19 19 A K H < S+ 0 0 49 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.901 111.6 48.0 -69.3 -41.7 97.6 96.5 52.7 20 20 A I H < S+ 0 0 0 -4,-3.0 7,-0.3 1,-0.2 -2,-0.2 0.888 118.6 39.1 -67.6 -38.5 94.8 94.0 53.3 21 21 A K H < S+ 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.638 85.2 118.2 -86.8 -14.9 96.5 92.4 56.3 22 22 A D >X - 0 0 62 -4,-1.3 3,-2.1 -5,-0.2 4,-0.6 -0.341 59.3-147.8 -57.8 111.4 97.9 95.7 57.7 23 23 A P G >4 S+ 0 0 121 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.764 95.8 64.0 -51.8 -27.6 96.4 96.1 61.2 24 24 A A G 34 S+ 0 0 81 1,-0.2 -2,-0.1 2,-0.1 -5,-0.1 0.818 97.1 56.9 -67.9 -29.6 96.5 99.9 60.7 25 25 A N G <4 S- 0 0 11 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 0.665 98.3-137.9 -77.4 -18.0 94.0 99.6 57.8 26 26 A G << + 0 0 27 -4,-0.6 11,-0.1 -3,-0.6 -2,-0.1 0.766 55.1 138.0 70.0 30.3 91.3 97.8 59.8 27 27 A Y + 0 0 1 -5,-0.4 8,-3.0 -7,-0.3 2,-0.3 0.754 68.4 51.2 -76.3 -22.5 90.0 95.1 57.4 28 28 A F B S-A 34 0A 41 6,-0.3 2,-0.1 -8,-0.1 -2,-0.0 -0.798 79.1-125.6-116.1 157.7 89.9 92.6 60.3 29 29 A S > - 0 0 8 4,-2.5 3,-2.4 -2,-0.3 4,-0.1 -0.430 44.4 -92.7 -89.6 171.2 88.4 92.5 63.7 30 30 A E T 3 S+ 0 0 166 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.589 126.6 58.9 -62.2 -8.7 90.4 91.7 66.8 31 31 A Q T 3 S- 0 0 37 2,-0.2 -1,-0.3 127,-0.1 -3,-0.0 0.386 121.8-104.0 -99.8 3.1 89.4 88.0 66.4 32 32 A G S < S+ 0 0 15 -3,-2.4 -2,-0.1 1,-0.3 51,-0.1 0.658 75.9 139.2 85.2 16.3 90.9 87.8 62.9 33 33 A I - 0 0 1 -4,-0.1 -4,-2.5 125,-0.1 -1,-0.3 -0.794 52.2-124.3 -96.0 131.8 87.5 88.0 61.2 34 34 A P B -A 28 0A 0 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.510 21.1-133.0 -76.3 144.9 87.3 90.1 58.0 35 35 A Y - 0 0 21 -8,-3.0 575,-0.3 -2,-0.2 15,-0.2 -0.501 20.2-117.2 -88.0 162.2 84.7 92.8 57.8 36 36 A H S S- 0 0 3 13,-1.1 574,-1.7 15,-0.5 575,-0.4 0.863 96.3 -15.2 -66.7 -32.6 82.5 93.3 54.8 37 37 A S B -B 609 0B 0 12,-1.3 -1,-0.3 572,-0.3 572,-0.2 -0.970 62.4-115.8-164.6 155.3 84.2 96.7 54.5 38 38 A I S S+ 0 0 28 570,-1.6 2,-0.1 -2,-0.3 -1,-0.1 0.941 98.6 74.6 -62.1 -47.3 86.3 99.1 56.5 39 39 A E - 0 0 27 569,-0.2 -2,-0.1 1,-0.1 -3,-0.0 -0.438 69.9-154.9 -68.7 138.3 83.6 101.7 56.5 40 40 A T S S+ 0 0 25 9,-0.1 9,-2.6 1,-0.1 2,-2.1 0.828 76.7 83.3 -84.4 -34.1 80.7 101.0 58.9 41 41 A L + 0 0 1 7,-0.2 2,-0.4 8,-0.1 -1,-0.1 -0.497 69.1 139.6 -71.8 85.1 78.0 103.0 57.1 42 42 A M + 0 0 0 -2,-2.1 2,-0.3 5,-0.2 8,-0.1 -0.981 25.0 164.9-140.1 126.2 77.2 100.2 54.7 43 43 A V + 0 0 5 -2,-0.4 4,-0.2 5,-0.1 503,-0.1 -0.931 38.7 92.3-143.2 116.5 74.0 98.8 53.2 44 44 A E S S- 0 0 66 2,-2.1 144,-0.3 -2,-0.3 3,-0.1 0.226 105.8 -7.6-162.4 -52.0 73.6 96.5 50.2 45 45 A A S S+ 0 0 39 1,-0.7 2,-0.1 143,-0.1 -3,-0.0 0.492 140.8 33.5-123.4 -67.8 73.6 92.8 51.1 46 46 A P S S- 0 0 0 0, 0.0 -2,-2.1 0, 0.0 -1,-0.7 -0.556 83.6-136.3 -82.3 166.9 74.5 93.0 54.8 47 47 A D S S+ 0 0 2 -4,-0.2 2,-0.3 -2,-0.1 -5,-0.2 0.181 83.0 49.8-107.1 18.7 73.0 96.2 56.4 48 48 A Y S > S- 0 0 23 3,-0.1 3,-1.5 -7,-0.1 -12,-0.2 -0.957 76.6-130.6-155.3 134.5 76.1 97.1 58.4 49 49 A G T 3 S+ 0 0 0 -9,-2.6 -12,-1.3 -2,-0.3 -13,-1.1 0.821 103.9 48.8 -55.4 -38.8 79.7 97.5 57.4 50 50 A H T 3 S+ 0 0 31 -10,-0.2 108,-0.5 -15,-0.2 2,-0.5 0.074 85.7 94.4 -96.8 26.4 81.2 95.4 60.2 51 51 A V E < -C 157 0C 0 -3,-1.5 -15,-0.5 106,-0.2 106,-0.2 -0.938 68.1-149.3-106.6 135.4 78.9 92.3 59.9 52 52 A T E -C 156 0C 0 104,-2.3 104,-3.0 -2,-0.5 2,-0.3 -0.559 6.8-143.6-106.3 174.5 80.6 89.7 57.8 53 53 A T E > -C 155 0C 4 102,-0.2 4,-1.4 -2,-0.2 102,-0.2 -0.796 29.4-114.4-127.9 168.5 79.5 87.0 55.4 54 54 A S H > S+ 0 0 1 100,-1.5 4,-2.5 -2,-0.3 5,-0.2 0.874 118.5 64.4 -69.7 -34.9 80.6 83.5 54.4 55 55 A E H > S+ 0 0 34 99,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.865 100.9 50.6 -52.0 -39.6 81.3 85.1 51.0 56 56 A A H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.933 107.9 50.6 -67.1 -47.6 83.9 87.2 52.8 57 57 A M H X S+ 0 0 1 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.882 108.0 53.6 -58.3 -40.3 85.6 84.2 54.5 58 58 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.846 109.4 47.9 -65.0 -33.0 85.8 82.4 51.2 59 59 A Y H X S+ 0 0 2 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.746 107.8 56.9 -76.6 -23.1 87.6 85.4 49.7 60 60 A Y H X S+ 0 0 8 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.932 107.0 47.8 -71.5 -43.2 89.8 85.4 52.7 61 61 A M H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.860 110.4 52.2 -63.3 -38.4 90.8 81.8 51.9 62 62 A W H X S+ 0 0 4 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.913 109.0 49.6 -65.2 -45.2 91.5 82.6 48.2 63 63 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.940 112.5 46.8 -59.1 -50.4 93.7 85.5 49.1 64 64 A E H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 13,-0.3 0.806 109.0 54.7 -64.3 -32.3 95.8 83.4 51.6 65 65 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.911 108.6 48.8 -67.0 -41.5 96.1 80.6 49.1 66 66 A M H X S+ 0 0 1 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.819 109.9 53.0 -66.6 -32.2 97.5 83.1 46.5 67 67 A H H X S+ 0 0 34 -4,-1.6 4,-2.2 2,-0.2 6,-0.4 0.886 105.1 53.6 -70.4 -40.1 99.9 84.3 49.2 68 68 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.921 103.9 57.9 -59.5 -41.8 101.1 80.7 49.9 69 69 A R H < S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.7 33.8 -57.8 -34.6 101.9 80.4 46.2 70 70 A F H < S+ 0 0 28 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.680 128.9 32.2 -98.2 -19.2 104.2 83.4 46.2 71 71 A S H < S- 0 0 59 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.570 93.1-127.0-112.4 -14.3 105.8 83.1 49.7 72 72 A G S < S+ 0 0 7 -4,-2.7 2,-0.6 -5,-0.4 -4,-0.2 0.538 74.2 121.4 78.2 4.4 105.8 79.4 50.3 73 73 A D + 0 0 70 -6,-0.4 3,-0.2 -5,-0.1 -1,-0.2 -0.895 29.9 166.6-106.6 114.0 104.0 80.1 53.5 74 74 A F > + 0 0 11 -2,-0.6 4,-1.6 1,-0.1 3,-0.5 0.329 51.2 98.2-108.1 8.7 100.6 78.4 53.9 75 75 A T H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.758 81.1 56.9 -66.5 -25.0 100.0 79.0 57.6 76 76 A G H > S+ 0 0 15 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.789 105.2 50.3 -75.9 -28.8 97.8 82.0 56.8 77 77 A F H > S+ 0 0 0 -3,-0.5 4,-1.4 -13,-0.3 -2,-0.2 0.846 110.2 51.1 -74.8 -36.4 95.5 79.9 54.7 78 78 A D H X S+ 0 0 54 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.876 109.7 49.0 -68.4 -37.1 95.3 77.4 57.5 79 79 A K H X S+ 0 0 103 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.834 104.5 60.3 -71.0 -29.3 94.4 80.1 59.9 80 80 A S H X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.895 107.8 44.7 -64.5 -36.0 91.8 81.3 57.4 81 81 A W H X S+ 0 0 1 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.717 109.7 56.2 -78.3 -22.2 90.1 77.9 57.8 82 82 A S H X S+ 0 0 60 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.926 106.2 48.9 -74.0 -44.8 90.5 77.9 61.6 83 83 A V H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.889 111.3 51.6 -60.0 -40.9 88.6 81.2 61.9 84 84 A T H X>S+ 0 0 0 -4,-1.3 4,-3.3 -5,-0.2 5,-1.5 0.985 112.0 43.5 -59.8 -60.4 85.8 79.9 59.7 85 85 A E H <5S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.784 118.2 47.3 -56.2 -31.5 85.3 76.6 61.6 86 86 A Q H <5S+ 0 0 114 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.891 130.1 14.7 -79.3 -41.6 85.5 78.5 64.9 87 87 A Y H <5S+ 0 0 50 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.688 129.6 35.8-111.6 -23.9 83.1 81.4 64.1 88 88 A L T <5S+ 0 0 1 -4,-3.3 65,-2.8 -5,-0.4 -3,-0.2 0.663 102.7 68.9-106.8 -19.8 81.0 80.7 60.9 89 89 A I S - 0 0 33 -5,-0.2 4,-1.8 -4,-0.1 -5,-0.0 0.007 33.8 -84.0 -79.1-171.4 79.7 74.5 66.9 92 92 A E T 4 S+ 0 0 134 1,-0.2 5,-0.3 2,-0.2 -1,-0.1 0.839 131.4 49.9 -65.6 -34.4 78.2 71.8 69.2 93 93 A K T 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.861 111.3 48.7 -72.4 -35.8 76.8 74.5 71.5 94 94 A D T 4 S+ 0 0 11 1,-0.3 -2,-0.2 103,-0.0 -1,-0.2 0.775 123.5 28.7 -77.0 -29.0 75.2 76.4 68.6 95 95 A Q S < S- 0 0 3 -4,-1.8 -1,-0.3 208,-0.1 5,-0.1 -0.557 89.6-144.4-133.4 71.7 73.5 73.4 66.9 96 96 A P >> - 0 0 22 0, 0.0 4,-2.4 0, 0.0 3,-1.6 -0.014 4.5-148.2 -38.1 114.5 72.8 70.8 69.8 97 97 A N H 3> S+ 0 0 69 -5,-0.3 4,-2.7 1,-0.3 5,-0.2 0.807 96.9 69.5 -59.6 -27.4 73.3 67.3 68.6 98 98 A T H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.857 110.1 33.5 -58.9 -32.8 70.5 66.3 71.1 99 99 A S H X4 S+ 0 0 2 -3,-1.6 3,-1.4 2,-0.1 -2,-0.2 0.870 116.8 52.7 -89.5 -41.4 68.1 68.2 68.8 100 100 A M H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.818 103.9 58.5 -64.5 -30.6 69.8 67.4 65.4 101 101 A S T 3< S+ 0 0 63 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.565 94.9 64.7 -77.5 -6.6 69.8 63.7 66.1 102 102 A R T < S+ 0 0 156 -3,-1.4 209,-0.3 -5,-0.2 -1,-0.3 0.418 77.7 127.7 -92.1 1.3 66.0 63.8 66.6 103 103 A Y < - 0 0 22 -3,-1.3 2,-0.5 207,-0.2 209,-0.1 -0.255 50.7-147.6 -59.5 139.8 65.7 64.7 62.9 104 104 A D > - 0 0 74 207,-0.4 3,-0.9 3,-0.4 -1,-0.1 -0.945 7.7-159.8-118.2 116.7 63.4 62.6 60.7 105 105 A A T 3 S+ 0 0 29 -2,-0.5 29,-2.5 1,-0.2 -1,-0.1 0.646 91.1 57.6 -68.0 -16.7 64.3 62.1 57.1 106 106 A N T 3 S+ 0 0 86 1,-0.3 -1,-0.2 27,-0.2 25,-0.2 0.693 120.9 26.6 -85.6 -22.0 60.7 61.1 56.0 107 107 A K S < S+ 0 0 86 -3,-0.9 -3,-0.4 1,-0.1 -1,-0.3 -0.643 73.9 169.9-138.4 71.4 59.3 64.4 57.3 108 108 A P - 0 0 1 0, 0.0 205,-1.3 0, 0.0 2,-0.3 0.761 63.8 -19.7 -58.2 -29.0 62.3 66.8 57.0 109 109 A A - 0 0 10 203,-0.2 2,-0.5 166,-0.1 203,-0.1 -0.988 68.1 -91.0-169.6 172.7 60.2 69.9 57.7 110 110 A T - 0 0 47 -2,-0.3 17,-0.1 -3,-0.1 21,-0.0 -0.854 44.7-116.5-101.8 128.5 56.7 71.6 57.8 111 111 A Y B +E 126 0D 19 15,-0.5 15,-2.6 -2,-0.5 18,-0.1 -0.306 35.3 173.2 -64.7 143.4 55.5 73.3 54.7 112 112 A A - 0 0 6 13,-0.2 13,-0.2 15,-0.1 11,-0.0 -0.960 28.8-118.1-150.7 129.9 54.9 77.1 54.8 113 113 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 268,-0.2 -0.146 17.7-131.0 -68.2 165.2 54.0 79.3 51.8 114 114 A E - 0 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-1,-0.2 -3,-0.2 -2,-0.2 0.665 125.8 24.6-105.5 -16.4 83.9 64.6 41.6 334 334 A T H << S+ 0 0 79 -4,-1.7 2,-0.7 -3,-0.5 -3,-0.2 0.615 98.1 86.3-122.1 -16.3 87.2 63.9 39.9 335 335 A D >< - 0 0 25 -4,-2.4 3,-1.7 -5,-0.4 4,-0.3 -0.784 59.4-154.0 -95.2 115.2 90.0 64.7 42.3 336 336 A A G > S+ 0 0 87 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.813 94.9 60.4 -52.7 -34.0 90.9 61.8 44.7 337 337 A N G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 -76,-0.1 0.774 112.6 37.1 -67.5 -26.0 92.2 64.4 47.2 338 338 A F G < S+ 0 0 0 -3,-1.7 -1,-0.2 -7,-0.3 -2,-0.2 0.169 80.7 137.2-110.9 15.9 88.8 65.9 47.5 339 339 A K < - 0 0 122 -3,-1.0 -6,-0.1 -4,-0.3 -7,-0.1 -0.501 56.7-122.8 -65.3 117.5 86.7 62.8 47.2 340 340 A P - 0 0 2 0, 0.0 6,-0.3 0, 0.0 -78,-0.1 -0.266 7.2-131.5 -62.8 149.1 83.9 63.1 49.8 341 341 A K S S+ 0 0 141 4,-0.1 -79,-0.1 3,-0.1 -2,-0.0 0.843 78.2 97.1 -69.6 -36.1 83.6 60.4 52.4 342 342 A S S S- 0 0 1 1,-0.1 4,-0.4 2,-0.1 3,-0.4 -0.146 87.1-113.6 -54.5 151.9 79.8 59.9 51.9 343 343 A S S S+ 0 0 84 1,-0.2 4,-0.2 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2,-0.4 0.393 81.2 120.6 -93.9 1.1 70.2 80.8 29.9 364 364 A Q B < -T 370 0N 1 -3,-0.9 6,-0.2 -4,-0.5 116,-0.1 -0.551 55.5-141.2 -72.6 124.4 72.7 82.3 27.4 365 365 A S - 0 0 0 4,-3.0 120,-0.2 -2,-0.4 117,-0.1 -0.179 27.4 -93.7 -79.3 173.4 71.0 85.2 25.6 366 366 A A S S+ 0 0 31 118,-2.7 119,-0.1 115,-0.7 116,-0.1 0.897 127.4 43.1 -52.1 -45.0 71.2 86.2 21.9 367 367 A E S S- 0 0 70 117,-0.4 -1,-0.2 2,-0.1 77,-0.1 0.881 122.6-100.2 -72.5 -40.0 74.0 88.6 22.8 368 368 A G S S+ 0 0 0 1,-0.4 73,-0.1 76,-0.1 -2,-0.1 0.181 78.6 120.8 142.5 -22.8 76.0 86.3 25.2 369 369 A A - 0 0 0 -5,-0.1 -4,-3.0 71,-0.1 2,-0.5 -0.242 63.6-109.6 -69.0 160.2 75.1 87.3 28.8 370 370 A I B -T 364 0N 0 -6,-0.2 -6,-0.2 71,-0.0 -1,-0.1 -0.820 27.5-135.3-100.2 129.3 73.5 84.7 31.1 371 371 A A - 0 0 0 -8,-2.6 -50,-0.3 -2,-0.5 -8,-0.1 -0.218 31.0 -90.8 -74.9 167.2 69.9 85.0 32.2 372 372 A G - 0 0 0 27,-0.5 -51,-2.8 1,-0.1 -50,-0.3 0.910 56.1-113.8 -42.1 -85.7 68.6 84.6 35.8 373 373 A G E -QR 320 398M 0 25,-1.6 25,-2.1 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B < -U 378 0O 79 -5,-1.7 -5,-0.5 1,-0.1 2,-0.2 -0.219 42.6 -71.5 -82.2 174.7 51.7 77.1 42.0 384 384 A A - 0 0 87 1,-0.1 -1,-0.1 -7,-0.1 3,-0.0 -0.450 45.9-120.5 -70.4 134.7 50.8 76.5 38.4 385 385 A V - 0 0 57 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.645 35.5-111.2 -76.7 118.9 53.4 77.6 35.8 386 386 A P > - 0 0 62 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.124 40.3 -99.0 -47.4 143.8 51.7 80.2 33.5 387 387 A S T 3 S+ 0 0 132 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 -0.399 109.3 34.2 -66.8 145.3 51.2 78.8 30.0 388 388 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.121 84.2 132.3 97.4 -22.0 53.9 79.9 27.6 389 389 A T < - 0 0 28 -3,-1.5 -1,-0.3 1,-0.1 -4,-0.0 -0.476 56.6-125.1 -69.6 128.7 56.6 80.0 30.3 390 390 A S - 0 0 6 -2,-0.3 7,-2.2 79,-0.1 2,-0.3 -0.288 30.2-156.1 -68.5 157.2 59.9 78.3 29.2 391 391 A T E -S 396 0M 36 5,-0.2 81,-2.1 -17,-0.1 2,-0.5 -0.963 24.6-152.4-143.2 159.1 61.3 75.5 31.4 392 392 A F E > S-S 395 0M 0 3,-2.2 3,-1.6 -2,-0.3 -112,-0.1 -0.942 92.0 -25.6-128.7 100.7 64.4 73.6 32.4 393 393 A Y T 3 S- 0 0 77 -2,-0.5 3,-0.1 79,-0.3 -1,-0.1 0.858 128.8 -46.6 60.0 38.5 63.5 70.0 33.5 394 394 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.3 -114,-0.1 2,-0.3 0.192 113.6 120.3 92.2 -18.7 60.0 71.1 34.5 395 395 A M E < - S 0 392M 0 -3,-1.6 -3,-2.2 -116,-0.1 -1,-0.3 -0.599 63.6-119.9 -83.0 141.2 61.2 74.2 36.4 396 396 A G E -RS 375 391M 1 -21,-1.8 -21,-2.1 -2,-0.3 2,-0.3 -0.546 24.7-108.8 -83.7 145.3 59.9 77.6 35.2 397 397 A Y E -R 374 0M 13 -7,-2.2 2,-0.4 -23,-0.2 -23,-0.3 -0.538 33.4-168.8 -72.5 128.9 62.2 80.3 34.0 398 398 A V E -R 373 0M 30 -25,-2.1 -25,-1.6 -2,-0.3 -79,-0.0 -0.986 17.1-152.8-123.3 127.8 62.5 83.3 36.3 399 399 A E S S+ 0 0 68 -2,-0.4 -27,-0.5 1,-0.3 -1,-0.1 0.892 92.4 18.9 -64.3 -43.7 64.1 86.6 35.2 400 400 A N S S- 0 0 41 -28,-0.1 -1,-0.3 8,-0.1 8,-0.1 -0.806 86.9-145.9-133.7 91.2 65.2 87.6 38.7 401 401 A P - 0 0 2 0, 0.0 2,-3.0 0, 0.0 7,-0.3 -0.225 68.5 -15.2 -59.7 141.1 65.2 84.7 41.2 402 402 A V S S+ 0 0 26 5,-0.1 2,-0.4 6,-0.1 5,-0.0 -0.109 124.2 59.5 62.0 -43.5 64.4 85.1 44.9 403 403 A Y > + 0 0 49 -2,-3.0 5,-1.7 1,-0.1 6,-0.3 -0.947 39.2 167.9-124.7 143.6 64.6 89.0 44.9 404 404 A A B > 5 +V 407 0P 41 -220,-2.6 3,-0.8 -2,-0.4 -219,-0.2 0.422 61.2 90.4-122.8 -6.7 62.8 91.7 43.0 405 405 A D T 3 5S- 0 0 33 -221,-0.8 -217,-0.3 1,-0.8 -1,-0.1 -0.669 123.5 -4.5-130.3 78.3 63.9 94.8 45.1 406 406 A P T 3 5S- 0 0 85 0, 0.0 -1,-0.8 0, 0.0 5,-0.1 0.635 108.9-106.3 -90.3 166.3 66.2 95.1 43.3 407 407 A G B X 5 -V 404 0P 11 -3,-0.8 3,-1.5 1,-0.2 -3,-0.3 -0.231 23.4-130.3 -52.1 133.0 66.2 92.1 40.9 408 408 A S T 3 S-W 462 0Q 76 -3,-0.4 3,-1.5 -4,-0.2 4,-0.4 -0.848 73.4-143.9 -96.6 121.0 73.7 93.5 38.9 412 412 A F T >> S+ 0 0 0 49,-2.7 3,-2.2 -2,-0.6 4,-0.8 0.813 89.5 82.5 -51.3 -32.9 76.5 92.9 36.3 413 413 A G H 3> S+ 0 0 0 48,-0.3 4,-2.3 1,-0.3 5,-0.3 0.803 79.1 61.3 -42.1 -46.2 78.5 91.2 39.1 414 414 A M H <> S+ 0 0 17 -3,-1.5 4,-1.7 1,-0.2 5,-0.4 0.847 98.9 61.5 -55.3 -32.2 76.7 87.9 38.8 415 415 A Q H <> S+ 0 0 0 -3,-2.2 4,-1.9 -4,-0.4 -1,-0.2 0.968 111.2 33.4 -58.8 -56.7 78.0 87.7 35.2 416 416 A V H X S+ 0 0 0 -4,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.894 115.5 55.0 -70.0 -42.3 81.8 87.8 36.1 417 417 A W H X S+ 0 0 12 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.908 115.6 38.0 -58.0 -45.4 81.6 85.8 39.4 418 418 A S H >X S+ 0 0 0 -4,-1.7 3,-1.2 -5,-0.3 4,-0.9 0.954 117.3 48.2 -73.1 -50.2 79.9 82.8 37.9 419 419 A M H 3X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.4 -1,-0.2 0.656 99.0 68.4 -65.7 -18.0 81.7 82.8 34.5 420 420 A Q H 3X S+ 0 0 5 -4,-1.5 4,-1.6 2,-0.2 -1,-0.3 0.828 100.1 50.5 -70.0 -28.8 85.1 83.1 36.2 421 421 A R H - 0 0 33 -6,-0.5 4,-1.7 1,-0.1 -1,-0.2 -0.179 23.1-137.9 -52.0 135.3 85.9 71.2 28.3 432 432 A A H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.827 99.7 54.9 -65.7 -36.7 83.9 71.8 25.1 433 433 A R H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.873 109.6 48.3 -66.1 -37.0 80.7 73.0 26.9 434 434 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.880 107.8 55.0 -70.6 -40.0 82.7 75.7 28.7 435 435 A K H X S+ 0 0 78 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.946 107.7 49.0 -58.8 -50.2 84.4 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71.6 565 565 A M > - 0 0 6 4,-2.1 3,-3.4 -2,-0.3 -402,-0.1 -0.638 46.5 -96.8 -89.2 156.2 65.9 95.4 70.1 566 566 A P T 3 S+ 0 0 38 0, 0.0 -403,-0.1 0, 0.0 -1,-0.1 0.807 125.7 54.3 -42.2 -39.6 68.7 94.8 72.6 567 567 A N T 3 S- 0 0 71 -405,-0.4 -404,-0.1 1,-0.1 14,-0.0 0.495 125.5 -99.9 -77.5 -3.5 69.6 98.5 72.7 568 568 A G < + 0 0 35 -3,-3.4 2,-0.1 1,-0.3 -1,-0.1 0.353 68.2 151.9 104.5 -7.7 66.0 99.4 73.6 569 569 A D - 0 0 26 11,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.387 45.8-124.0 -61.0 128.8 64.6 100.5 70.2 570 570 A V E -M 564 0I 63 -6,-0.2 2,-0.6 -2,-0.1 -6,-0.2 -0.546 17.0-149.8 -76.9 137.2 60.9 99.8 70.1 571 571 A I E +M 563 0I 0 -8,-3.6 -8,-2.0 -2,-0.2 2,-0.3 -0.932 39.9 127.4-111.7 113.6 59.6 97.7 67.3 572 572 A K > - 0 0 104 -2,-0.6 3,-1.7 -10,-0.2 -17,-0.2 -0.953 65.7 -63.5-155.2 167.5 56.1 98.5 66.2 573 573 A S T 3 S+ 0 0 65 -12,-0.4 -17,-0.1 -2,-0.3 -19,-0.0 -0.290 117.4 35.2 -57.3 139.9 54.1 99.3 63.1 574 574 A G T 3 S+ 0 0 44 -19,-0.5 -1,-0.2 1,-0.3 -18,-0.1 0.151 81.2 131.4 103.0 -19.9 55.3 102.6 61.6 575 575 A V < - 0 0 12 -3,-1.7 -20,-2.2 -20,-0.2 -1,-0.3 -0.219 44.9-142.1 -65.0 159.1 59.0 102.3 62.4 576 576 A K B >> -B 554 0U 69 -22,-0.2 3,-0.9 1,-0.1 4,-0.9 -0.708 33.2 -88.5-115.9 171.1 61.5 103.0 59.6 577 577 A F G >4 S+ 0 0 0 -24,-2.0 3,-1.2 -28,-0.4 -26,-0.1 0.912 127.7 46.1 -41.5 -59.2 64.9 101.4 58.8 578 578 A I G >4 S+ 0 0 9 -28,-1.6 3,-1.4 1,-0.2 -1,-0.3 0.768 99.7 70.6 -59.6 -29.5 66.8 103.8 61.1 579 579 A D G <4 S+ 0 0 70 -3,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.762 102.0 41.1 -64.8 -26.2 64.3 103.4 64.0 580 580 A I G << S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.235 120.2 46.0-104.5 14.6 65.3 99.8 64.8 581 581 A R X + 0 0 6 -3,-1.4 3,-2.2 -4,-0.1 -1,-0.2 -0.299 65.6 154.0-144.7 47.4 69.0 100.6 64.3 582 582 A S G > + 0 0 34 -3,-0.4 3,-1.6 1,-0.3 4,-0.1 0.666 61.9 75.4 -58.0 -17.1 69.4 103.9 66.2 583 583 A K G > S+ 0 0 81 1,-0.3 3,-2.4 2,-0.2 -1,-0.3 0.741 75.3 80.0 -67.4 -20.4 73.1 103.3 66.9 584 584 A Y G X S+ 0 0 0 -3,-2.2 3,-1.0 1,-0.3 -1,-0.3 0.665 78.1 72.3 -59.7 -14.6 73.7 104.2 63.2 585 585 A K G < S+ 0 0 109 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.587 89.0 59.0 -78.8 -8.5 73.4 107.8 64.4 586 586 A Q G < S+ 0 0 151 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.391 79.0 121.3 -96.1 -0.6 76.8 107.5 66.1 587 587 A D S X S- 0 0 18 -3,-1.0 3,-1.5 -4,-0.2 4,-0.5 -0.398 70.1-129.3 -67.5 140.6 78.5 106.6 62.8 588 588 A P T 3 S+ 0 0 114 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.779 110.4 46.2 -58.4 -28.9 81.3 109.0 61.8 589 589 A E T 3> S+ 0 0 57 1,-0.1 4,-2.1 2,-0.1 5,-0.2 0.439 87.8 94.3 -94.7 -0.3 79.7 109.3 58.3 590 590 A W H <> S+ 0 0 15 -3,-1.5 4,-2.7 2,-0.2 5,-0.2 0.937 84.6 43.1 -58.4 -56.8 76.2 109.8 59.6 591 591 A Q H > S+ 0 0 143 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.903 115.0 52.1 -57.9 -42.3 75.9 113.7 59.6 592 592 A T H > S+ 0 0 105 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.894 111.4 47.2 -60.8 -40.4 77.6 113.8 56.2 593 593 A M H X S+ 0 0 6 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.939 115.0 44.3 -68.1 -47.9 75.1 111.3 54.8 594 594 A V H X S+ 0 0 27 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.875 107.8 57.8 -66.3 -39.1 72.1 113.1 56.2 595 595 A A H X S+ 0 0 60 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.897 106.9 50.1 -58.9 -39.2 73.2 116.6 55.2 596 596 A A H <>S+ 0 0 13 -4,-1.3 5,-3.4 -5,-0.2 -1,-0.2 0.889 110.8 48.3 -66.7 -40.2 73.4 115.4 51.6 597 597 A L H ><5S+ 0 0 33 -4,-1.5 3,-2.1 3,-0.2 -2,-0.2 0.947 109.7 52.5 -64.6 -47.9 69.9 114.0 51.7 598 598 A Q H 3<5S+ 0 0 147 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.876 109.8 48.4 -54.7 -41.3 68.5 117.1 53.3 599 599 A A T 3<5S- 0 0 72 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.357 121.7-110.8 -82.3 5.9 70.0 119.2 50.5 600 600 A G T < 5S+ 0 0 68 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.855 72.9 132.3 69.8 36.9 68.6 116.8 48.0 601 601 A Q < - 0 0 123 -5,-3.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.864 63.0-112.0-116.4 153.0 71.8 115.2 46.8 602 602 A V - 0 0 65 -2,-0.3 -57,-0.1 1,-0.1 -5,-0.0 -0.729 42.6-118.7 -80.9 127.6 72.6 111.5 46.4 603 603 A P - 0 0 9 0, 0.0 -59,-2.6 0, 0.0 2,-0.3 -0.183 29.2-153.9 -62.1 162.4 75.2 110.7 49.0 604 604 A T E -A 543 0T 77 -61,-0.3 2,-0.3 -60,-0.1 -61,-0.2 -0.946 11.0-173.8-136.2 156.7 78.6 109.4 47.9 605 605 A Q E -A 542 0T 10 -63,-2.2 -63,-2.3 -2,-0.3 2,-0.6 -0.978 28.2-136.6-148.3 161.3 81.2 107.2 49.5 606 606 A R E -A 541 0T 127 -2,-0.3 2,-0.2 -65,-0.2 -65,-0.2 -0.895 43.4-166.6-119.7 92.1 84.7 105.9 48.9 607 607 A L - 0 0 7 -2,-0.6 2,-0.5 -67,-0.6 -67,-0.3 -0.541 27.5-160.2 -93.3 150.6 84.3 102.3 49.9 608 608 A H - 0 0 6 -2,-0.2 -570,-1.6 -69,-0.1 2,-0.5 -0.789 15.3-171.9-125.5 86.0 86.7 99.5 50.7 609 609 A R B >> -B 37 0B 21 -2,-0.5 4,-2.1 -572,-0.2 3,-0.7 -0.694 22.9-137.3 -80.4 124.3 84.8 96.2 50.4 610 610 A F H 3> S+ 0 0 1 -574,-1.7 4,-2.4 -2,-0.5 5,-0.2 0.872 102.3 49.8 -49.2 -46.1 87.0 93.3 51.6 611 611 A W H 3> S+ 0 0 12 -575,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.835 107.8 53.0 -67.0 -31.7 86.0 91.1 48.8 612 612 A A H <> S+ 0 0 7 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.907 110.3 48.4 -69.3 -39.5 86.7 93.7 46.1 613 613 A Q H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.957 114.0 44.9 -64.4 -50.0 90.2 94.2 47.5 614 614 A S H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.889 110.2 56.6 -61.0 -37.6 90.9 90.5 47.6 615 615 A E H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.881 107.3 48.7 -60.6 -39.6 89.4 90.2 44.1 616 616 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.902 114.3 45.1 -68.5 -41.4 91.9 92.8 42.9 617 617 A A H >X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 3,-0.6 0.990 114.1 47.1 -65.3 -59.3 94.9 91.0 44.5 618 618 A V H 3X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.3 5,-0.2 0.885 109.8 56.0 -47.8 -44.1 93.9 87.5 43.4 619 619 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.3 0.905 106.7 49.0 -57.5 -43.2 93.3 88.9 39.9 620 620 A N H