==== 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 16-JUL-00 1FBO . 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) . 21599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 65.2 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 . 85 13.5 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 . 4 0.6 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 . 2 0.3 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 . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 30.2 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 0 1 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 . 12 9 3 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 . 6 3 1 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 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 0 127 0, 0.0 248,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 137.3 108.8 74.1 42.2 2 2 A S - 0 0 32 1,-0.1 3,-0.1 243,-0.1 243,-0.0 -0.385 360.0-103.1 -70.1 145.3 106.2 76.7 41.1 3 3 A S - 0 0 63 1,-0.1 -1,-0.1 -2,-0.1 245,-0.0 -0.253 48.0 -84.5 -64.7 152.9 106.5 78.1 37.6 4 4 A P - 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.260 46.9-152.3 -58.8 144.8 107.9 81.6 37.1 5 5 A A - 0 0 21 -3,-0.1 2,-0.4 623,-0.1 620,-0.2 -0.909 29.3 -88.4-122.6 150.8 105.4 84.5 37.5 6 6 A N > - 0 0 18 618,-2.9 4,-1.7 -2,-0.3 5,-0.2 -0.401 35.1-147.7 -59.7 114.1 105.3 88.0 36.0 7 7 A K H > S+ 0 0 129 -2,-0.4 4,-2.2 621,-0.3 5,-0.2 0.867 90.3 56.0 -50.1 -49.7 107.3 90.2 38.4 8 8 A V H > S+ 0 0 72 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.929 114.1 36.4 -52.1 -55.4 105.3 93.3 37.8 9 9 A Y H > S+ 0 0 10 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.710 111.4 60.4 -75.7 -21.1 101.9 91.9 38.7 10 10 A Q H X S+ 0 0 40 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.911 105.8 48.9 -70.8 -41.4 103.2 89.7 41.5 11 11 A D H X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.859 107.2 54.9 -65.0 -36.0 104.5 92.8 43.3 12 12 A R H X S+ 0 0 32 -4,-1.2 4,-2.0 -5,-0.2 -1,-0.2 0.870 109.6 48.4 -66.2 -33.6 101.1 94.4 42.8 13 13 A F H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.962 111.4 48.0 -68.0 -51.7 99.6 91.4 44.5 14 14 A E H X S+ 0 0 69 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.821 111.3 52.5 -58.4 -32.2 102.1 91.5 47.4 15 15 A S H X S+ 0 0 40 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.950 111.7 44.4 -68.3 -49.6 101.4 95.2 47.8 16 16 A M H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.896 110.0 56.2 -61.3 -41.8 97.6 94.8 48.0 17 17 A Y H X S+ 0 0 26 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.906 107.7 49.1 -57.9 -41.7 98.1 91.8 50.4 18 18 A S H X S+ 0 0 77 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.846 110.7 49.4 -67.0 -36.4 100.1 94.1 52.8 19 19 A K H < S+ 0 0 45 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.876 112.7 48.1 -70.9 -36.9 97.5 96.8 52.6 20 20 A I H < S+ 0 0 1 -4,-2.6 7,-0.3 1,-0.2 -2,-0.2 0.856 117.4 39.7 -72.2 -35.3 94.7 94.3 53.4 21 21 A K H < S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.481 86.2 120.8 -92.4 -3.4 96.5 92.6 56.3 22 22 A D >X - 0 0 65 -4,-0.7 3,-2.3 -5,-0.2 4,-0.7 -0.490 58.8-147.5 -67.1 112.6 97.8 95.9 57.6 23 23 A P G >4 S+ 0 0 119 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.837 97.0 59.5 -46.3 -41.6 96.5 96.4 61.2 24 24 A A G 34 S+ 0 0 87 1,-0.2 -2,-0.1 2,-0.1 -5,-0.1 0.716 98.0 58.5 -64.3 -23.6 96.4 100.1 60.7 25 25 A N G <4 S- 0 0 15 -3,-2.3 -1,-0.2 -6,-0.2 -6,-0.0 0.714 97.2-139.9 -81.4 -19.9 94.0 99.8 57.8 26 26 A G << + 0 0 29 -3,-0.9 -2,-0.1 -4,-0.7 9,-0.1 0.794 53.3 139.7 69.5 33.8 91.3 98.0 59.8 27 27 A Y + 0 0 2 -5,-0.4 8,-2.5 -7,-0.3 2,-0.3 0.713 67.8 51.0 -78.3 -20.1 90.0 95.4 57.4 28 28 A F B S-A 34 0A 40 6,-0.2 2,-0.1 -6,-0.1 -2,-0.0 -0.836 79.9-124.6-119.0 155.8 89.8 92.8 60.3 29 29 A S > - 0 0 8 4,-2.5 3,-2.1 -2,-0.3 -2,-0.1 -0.359 44.3 -93.5 -85.3 174.1 88.3 92.8 63.8 30 30 A E T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.717 127.0 59.5 -62.8 -18.6 90.4 92.0 66.8 31 31 A Q T 3 S- 0 0 50 2,-0.1 -1,-0.3 127,-0.1 -3,-0.0 0.396 120.8-106.8 -90.2 3.8 89.3 88.4 66.5 32 32 A G S < S+ 0 0 16 -3,-2.1 -2,-0.1 1,-0.3 51,-0.1 0.629 74.7 137.7 82.9 13.3 90.8 88.1 63.0 33 33 A I - 0 0 0 50,-0.1 -4,-2.5 125,-0.1 -1,-0.3 -0.776 53.2-124.4 -93.2 133.2 87.4 88.2 61.2 34 34 A P B -A 28 0A 0 0, 0.0 -6,-0.2 0, 0.0 19,-0.2 -0.572 21.3-134.5 -78.9 141.7 87.2 90.3 58.0 35 35 A Y - 0 0 19 -8,-2.5 575,-0.3 -2,-0.2 15,-0.2 -0.413 21.0-114.9 -85.2 166.7 84.5 93.0 57.9 36 36 A H S S- 0 0 5 13,-1.1 574,-1.9 15,-1.1 575,-0.4 0.899 97.2 -11.3 -66.4 -40.3 82.3 93.5 54.8 37 37 A S B -B 609 0B 0 12,-1.5 -1,-0.3 572,-0.3 572,-0.2 -0.987 60.8-120.3-157.6 153.5 84.0 97.0 54.5 38 38 A I S S+ 0 0 24 570,-1.6 -1,-0.1 -2,-0.3 571,-0.1 0.962 97.5 75.5 -59.2 -52.1 86.2 99.3 56.4 39 39 A E S S- 0 0 26 1,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 -0.370 70.3-155.4 -63.5 136.2 83.6 102.0 56.4 40 40 A T S S+ 0 0 24 9,-0.1 9,-2.6 1,-0.1 2,-2.2 0.848 76.1 82.1 -84.3 -36.7 80.7 101.4 58.8 41 41 A L + 0 0 1 7,-0.2 2,-0.4 8,-0.1 -1,-0.1 -0.490 69.8 141.6 -70.9 85.0 77.9 103.4 57.2 42 42 A M + 0 0 0 -2,-2.2 2,-0.4 5,-0.1 3,-0.1 -0.965 23.4 161.6-140.1 121.1 77.1 100.5 54.8 43 43 A V + 0 0 5 -2,-0.4 4,-0.2 4,-0.1 503,-0.1 -0.927 37.3 98.0-139.8 112.2 73.8 99.2 53.4 44 44 A E S S- 0 0 65 2,-2.1 144,-0.2 -2,-0.4 3,-0.1 0.361 104.7 -11.3-158.2 -38.2 73.6 97.0 50.2 45 45 A A S S+ 0 0 41 1,-1.1 2,-0.2 143,-0.1 -2,-0.0 0.314 141.3 33.7-135.9 -65.3 73.4 93.3 51.1 46 46 A P S S- 0 0 1 0, 0.0 -2,-2.1 0, 0.0 -1,-1.1 -0.538 85.0-133.9 -85.7 168.0 74.3 93.3 54.8 47 47 A D S S+ 0 0 2 -4,-0.2 2,-0.3 -2,-0.2 -5,-0.1 0.168 82.3 48.1-110.9 21.3 72.9 96.5 56.5 48 48 A Y S > S- 0 0 24 -7,-0.1 3,-1.5 1,-0.1 -12,-0.2 -0.929 75.1-131.1-158.2 132.2 76.0 97.5 58.5 49 49 A G T 3 S+ 0 0 0 -9,-2.6 -12,-1.5 -2,-0.3 -13,-1.1 0.820 104.1 51.0 -54.3 -40.5 79.7 97.7 57.5 50 50 A H T 3 S+ 0 0 34 -10,-0.2 109,-0.6 -15,-0.2 108,-0.5 0.083 85.8 100.4 -92.2 27.7 81.2 95.7 60.3 51 51 A V < - 0 0 0 -3,-1.5 -15,-1.1 106,-0.2 106,-0.2 -0.853 65.0-148.2-101.8 142.5 78.9 92.8 59.8 52 52 A T E -C 156 0C 0 104,-2.9 104,-3.1 -2,-0.4 2,-0.3 -0.666 8.5-151.7-112.7 171.7 80.6 90.0 57.9 53 53 A T E >> -C 155 0C 5 102,-0.2 4,-1.7 -2,-0.2 3,-0.7 -0.939 32.9-114.5-138.1 159.9 79.4 87.3 55.5 54 54 A S H 3> S+ 0 0 1 100,-1.7 4,-2.2 -2,-0.3 5,-0.2 0.786 118.2 64.9 -63.8 -22.7 80.5 83.8 54.5 55 55 A E H 3> S+ 0 0 37 99,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.890 100.8 48.1 -64.5 -40.1 81.2 85.5 51.1 56 56 A A H <> S+ 0 0 2 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.908 109.1 53.1 -68.0 -42.4 83.9 87.5 52.8 57 57 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.918 106.9 52.0 -59.4 -44.0 85.4 84.4 54.4 58 58 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.872 110.4 48.5 -62.2 -34.5 85.6 82.7 51.1 59 59 A Y H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.786 107.4 56.0 -74.5 -25.1 87.5 85.7 49.6 60 60 A Y H X S+ 0 0 8 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.860 108.2 48.2 -72.5 -34.8 89.8 85.7 52.7 61 61 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.890 111.6 49.2 -70.6 -40.9 90.6 82.0 51.8 62 62 A W H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.918 111.5 50.2 -64.5 -44.2 91.3 82.9 48.2 63 63 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.969 112.8 44.8 -58.5 -56.1 93.5 85.8 49.2 64 64 A E H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 13,-0.4 0.807 110.0 55.6 -60.1 -33.6 95.6 83.8 51.6 65 65 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.921 108.2 47.6 -65.7 -44.0 95.9 80.9 49.1 66 66 A M H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.866 110.0 54.4 -63.8 -36.5 97.4 83.2 46.5 67 67 A H H >X S+ 0 0 32 -4,-1.9 4,-2.1 1,-0.2 3,-0.7 0.908 105.5 52.5 -63.7 -41.6 99.7 84.6 49.1 68 68 A G H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.905 103.3 59.2 -60.0 -39.9 100.8 81.0 49.8 69 69 A R H 3< S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.781 115.9 32.5 -59.7 -29.9 101.6 80.7 46.1 70 70 A F H << S+ 0 0 26 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.643 127.8 35.2-103.6 -17.5 104.0 83.6 46.2 71 71 A S H < S- 0 0 56 -4,-2.1 -3,-0.2 2,-0.2 -2,-0.2 0.619 90.1-129.9-110.8 -17.0 105.5 83.3 49.6 72 72 A G S < S+ 0 0 10 -4,-2.5 2,-0.7 -5,-0.3 -4,-0.2 0.432 74.8 118.7 79.7 -3.3 105.6 79.6 50.3 73 73 A D + 0 0 71 -6,-0.4 3,-0.3 1,-0.1 -1,-0.2 -0.863 32.3 168.1-101.1 110.6 103.9 80.4 53.5 74 74 A F > + 0 0 11 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.246 50.4 100.4-105.4 13.6 100.5 78.7 53.8 75 75 A T H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.852 80.5 56.7 -65.3 -33.8 99.9 79.3 57.5 76 76 A G H > S+ 0 0 12 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.904 106.1 49.5 -63.6 -41.5 97.6 82.3 56.6 77 77 A F H > S+ 0 0 0 -13,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.933 111.3 48.2 -63.0 -47.8 95.4 80.0 54.5 78 78 A D H X S+ 0 0 51 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.876 109.8 54.8 -60.8 -36.1 95.1 77.5 57.4 79 79 A K H X S+ 0 0 103 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.888 102.0 56.2 -64.7 -39.3 94.3 80.4 59.7 80 80 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.894 108.8 47.6 -61.3 -37.7 91.4 81.5 57.5 81 81 A W H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.824 110.1 52.9 -71.6 -31.4 89.9 78.0 57.8 82 82 A S H X S+ 0 0 56 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.947 110.5 46.2 -67.0 -48.4 90.4 78.1 61.5 83 83 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.904 113.5 50.8 -60.0 -42.5 88.6 81.4 61.9 84 84 A T H X>S+ 0 0 0 -4,-2.0 4,-3.4 -5,-0.2 5,-1.3 0.978 112.5 43.6 -58.3 -60.2 85.8 80.2 59.6 85 85 A E H <5S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 117.7 48.0 -57.3 -32.4 85.2 76.9 61.5 86 86 A Q H <5S+ 0 0 112 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.884 128.6 17.2 -77.9 -38.6 85.4 78.7 64.8 87 87 A Y H <5S+ 0 0 38 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.659 129.3 33.9-112.7 -19.6 83.1 81.6 64.0 88 88 A L T <5S+ 0 0 0 -4,-3.4 65,-2.9 -5,-0.3 -3,-0.2 0.608 101.5 70.5-113.4 -15.7 80.9 80.9 60.9 89 89 A I S > - 0 0 48 -5,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.134 33.3 -86.8 -79.2 178.5 79.6 74.7 66.8 92 92 A E T 34 S+ 0 0 138 1,-0.2 5,-0.3 2,-0.2 -1,-0.1 0.806 131.5 52.7 -57.1 -30.5 78.1 71.9 69.0 93 93 A K T 34 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.830 110.4 46.5 -74.6 -33.0 76.8 74.6 71.3 94 94 A D T <4 S+ 0 0 14 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.760 126.7 25.7 -81.9 -28.1 75.1 76.6 68.5 95 95 A Q S < S- 0 0 2 -4,-2.0 -1,-0.2 208,-0.1 -2,-0.1 -0.544 90.5-148.2-135.7 68.1 73.4 73.6 66.9 96 96 A P >> - 0 0 25 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.052 9.1-141.4 -42.3 120.8 73.0 71.0 69.7 97 97 A N H 3> S+ 0 0 66 -5,-0.3 4,-2.8 1,-0.3 5,-0.2 0.752 97.8 73.0 -58.5 -24.7 73.2 67.5 68.5 98 98 A T H 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.899 109.3 32.1 -58.3 -37.6 70.4 66.6 71.0 99 99 A S H X4 S+ 0 0 3 -3,-1.5 3,-1.4 2,-0.1 -2,-0.2 0.898 118.0 53.0 -84.4 -44.6 68.0 68.4 68.7 100 100 A M H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.824 103.7 57.8 -60.5 -34.4 69.7 67.7 65.4 101 101 A S T 3< S+ 0 0 61 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.603 95.9 65.0 -73.1 -10.6 69.7 63.9 66.1 102 102 A R T < S+ 0 0 150 -3,-1.4 209,-0.3 -5,-0.2 -1,-0.3 0.384 76.5 128.5 -90.4 3.9 65.9 64.1 66.5 103 103 A Y < - 0 0 21 -3,-1.4 2,-0.7 207,-0.2 209,-0.1 -0.334 53.3-144.5 -61.4 135.8 65.7 65.0 62.8 104 104 A D > - 0 0 79 207,-0.5 3,-1.9 3,-0.4 30,-0.1 -0.890 7.1-162.9-109.8 106.3 63.2 62.9 60.8 105 105 A A T 3 S+ 0 0 30 -2,-0.7 29,-3.0 1,-0.3 -1,-0.1 0.710 91.5 56.1 -58.7 -23.0 64.5 62.3 57.2 106 106 A N T 3 S+ 0 0 89 1,-0.3 -1,-0.3 27,-0.2 25,-0.1 0.594 119.6 30.7 -84.6 -13.2 61.0 61.2 56.1 107 107 A K S < S+ 0 0 80 -3,-1.9 -3,-0.4 1,-0.1 -1,-0.3 -0.566 72.2 170.7-144.6 71.3 59.5 64.6 57.3 108 108 A P - 0 0 1 0, 0.0 205,-1.1 0, 0.0 2,-0.3 0.837 63.0 -19.7 -51.5 -46.3 62.3 67.2 56.9 109 109 A A - 0 0 9 203,-0.2 2,-0.5 166,-0.1 203,-0.1 -0.952 66.7 -95.4-157.6 174.2 60.2 70.3 57.6 110 110 A T - 0 0 50 -2,-0.3 17,-0.1 -3,-0.0 18,-0.0 -0.888 46.7-110.9-104.3 127.7 56.7 71.7 57.8 111 111 A Y + 0 0 19 -2,-0.5 15,-2.8 15,-0.5 18,-0.1 -0.215 38.4 172.1 -57.9 140.4 55.4 73.6 54.7 112 112 A A - 0 0 9 13,-0.2 13,-0.2 15,-0.1 11,-0.1 -0.966 27.9-121.1-149.9 130.1 54.9 77.3 54.9 113 113 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 268,-0.2 -0.272 15.6-130.6 -74.4 161.1 54.1 79.6 51.9 114 114 A E - 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0 0 5 4,-2.3 3,-2.8 -2,-0.4 -402,-0.1 -0.499 47.2 -95.3 -80.7 159.9 65.9 95.7 70.0 566 566 A P T 3 S+ 0 0 37 0, 0.0 -403,-0.1 0, 0.0 -1,-0.1 0.822 126.0 53.9 -46.0 -37.2 68.6 95.0 72.5 567 567 A N T 3 S- 0 0 68 -405,-0.4 -404,-0.1 1,-0.1 14,-0.0 0.462 124.8 -98.4 -80.3 -2.1 69.5 98.8 72.7 568 568 A G < + 0 0 37 -3,-2.8 -1,-0.1 1,-0.3 12,-0.0 0.133 69.5 149.7 109.2 -21.7 65.9 99.8 73.5 569 569 A D - 0 0 25 -5,-0.1 -4,-2.3 1,-0.1 2,-0.3 -0.208 48.4-122.7 -49.2 129.8 64.6 100.9 70.1 570 570 A V E -L 564 0H 61 -6,-0.2 2,-0.6 9,-0.2 -6,-0.2 -0.620 16.6-148.9 -80.9 132.8 60.9 100.2 70.0 571 571 A I E +L 563 0H 0 -8,-3.8 -8,-1.8 -2,-0.3 2,-0.3 -0.913 42.4 126.7-103.1 116.6 59.6 97.9 67.2 572 572 A K > - 0 0 107 -2,-0.6 3,-1.9 -10,-0.2 -17,-0.2 -0.980 65.3 -63.6-162.3 162.4 56.1 98.8 66.2 573 573 A S T 3 S+ 0 0 64 -12,-0.4 -17,-0.1 -2,-0.3 -19,-0.0 -0.228 116.9 33.7 -53.0 135.3 54.0 99.7 63.1 574 574 A G T 3 S+ 0 0 40 -19,-0.5 -1,-0.2 1,-0.3 -18,-0.1 0.150 81.9 136.1 105.3 -20.0 55.2 102.9 61.6 575 575 A V < - 0 0 9 -3,-1.9 -20,-2.9 -20,-0.2 -1,-0.3 -0.251 42.4-142.6 -64.0 150.4 58.9 102.6 62.3 576 576 A K B >> -B 554 0T 73 -22,-0.3 4,-0.8 1,-0.0 3,-0.6 -0.575 33.7 -90.5-105.5 171.3 61.4 103.5 59.6 577 577 A F G >4 S+ 0 0 0 -24,-1.8 3,-1.0 -28,-0.5 -26,-0.1 0.911 127.6 45.1 -46.4 -53.9 64.8 101.8 58.8 578 578 A I G >4 S+ 0 0 11 -28,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.777 97.9 74.2 -65.7 -27.4 66.7 104.1 61.1 579 579 A D G <4 S+ 0 0 68 -3,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.772 102.7 38.8 -60.3 -28.3 64.1 103.8 64.0 580 580 A I G << S+ 0 0 2 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.167 120.4 46.6-107.5 18.3 65.3 100.2 64.8 581 581 A R X + 0 0 6 -3,-1.8 3,-2.4 -16,-0.0 4,-0.2 -0.222 64.5 152.8-147.4 43.9 69.0 101.0 64.3 582 582 A S G > + 0 0 38 -3,-0.4 3,-1.6 1,-0.3 4,-0.1 0.661 62.1 74.8 -55.0 -19.8 69.4 104.3 66.2 583 583 A K G > S+ 0 0 73 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.727 77.7 77.1 -66.6 -19.8 73.1 103.7 66.9 584 584 A Y G X S+ 0 0 1 -3,-2.4 3,-1.3 1,-0.3 -1,-0.3 0.733 79.8 71.4 -60.9 -21.3 73.7 104.5 63.2 585 585 A K G < S+ 0 0 118 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.630 92.5 56.1 -71.4 -11.9 73.3 108.2 64.3 586 586 A Q G < S+ 0 0 156 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.466 80.0 119.1 -95.6 -4.7 76.6 107.9 66.1 587 587 A D S X S- 0 0 16 -3,-1.3 3,-1.9 -4,-0.2 4,-0.4 -0.379 73.4-125.2 -63.6 137.4 78.4 106.8 62.9 588 588 A P T 3 S+ 0 0 120 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.802 111.1 47.3 -52.9 -32.1 81.2 109.3 61.8 589 589 A E T 3> S+ 0 0 55 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.456 85.3 94.5 -91.4 -1.2 79.6 109.6 58.4 590 590 A W H <> S+ 0 0 15 -3,-1.9 4,-2.7 1,-0.2 5,-0.3 0.920 84.4 46.5 -57.8 -50.8 76.0 110.1 59.6 591 591 A Q H > S+ 0 0 137 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.889 112.9 50.7 -60.6 -40.7 75.9 114.0 59.6 592 592 A T H > S+ 0 0 100 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.929 112.6 46.3 -63.2 -44.8 77.5 114.1 56.1 593 593 A M H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.945 115.3 44.9 -63.7 -49.7 75.0 111.7 54.7 594 594 A V H X S+ 0 0 31 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.876 109.1 57.5 -63.4 -37.8 72.0 113.4 56.2 595 595 A A H X S+ 0 0 59 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.920 107.4 48.3 -59.0 -43.7 73.3 116.8 55.2 596 596 A A H <>S+ 0 0 15 -4,-1.8 5,-3.0 1,-0.2 -1,-0.2 0.886 109.5 51.2 -65.2 -40.4 73.4 115.7 51.6 597 597 A L H ><5S+ 0 0 35 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.866 110.1 50.5 -65.7 -34.8 69.8 114.3 51.7 598 598 A Q H 3<5S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.872 105.8 54.5 -69.7 -38.1 68.6 117.5 53.1 599 599 A A T 3<5S- 0 0 65 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.406 120.8-113.2 -75.9 4.5 70.3 119.5 50.4 600 600 A G T < 5S+ 0 0 69 -3,-0.9 -3,-0.2 1,-0.2 2,-0.2 0.729 75.6 128.6 71.0 23.2 68.4 117.3 48.0 601 601 A Q < - 0 0 125 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.585 65.0-104.5-106.1 170.0 71.5 115.6 46.7 602 602 A V - 0 0 66 -2,-0.2 -57,-0.1 -3,-0.1 -5,-0.0 -0.824 39.7-118.8 -94.7 126.3 72.6 112.0 46.4 603 603 A P - 0 0 9 0, 0.0 -59,-2.9 0, 0.0 2,-0.3 -0.281 28.8-155.9 -62.5 149.8 75.1 110.8 49.0 604 604 A T E -A 543 0S 77 -61,-0.2 2,-0.3 -60,-0.0 -61,-0.2 -0.933 9.6-171.8-127.5 151.4 78.5 109.7 47.8 605 605 A Q E -A 542 0S 7 -63,-2.6 -63,-2.5 -2,-0.3 2,-0.6 -0.974 25.5-144.4-142.4 156.7 81.0 107.3 49.4 606 606 A R E -A 541 0S 133 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.899 40.1-170.6-120.2 94.1 84.5 106.1 48.9 607 607 A L - 0 0 6 -2,-0.6 2,-0.5 -67,-0.5 -67,-0.3 -0.640 29.2-158.0 -98.9 148.5 84.3 102.5 50.0 608 608 A H - 0 0 8 -2,-0.3 -570,-1.6 -69,-0.1 2,-0.4 -0.747 19.3-171.3-119.3 80.7 86.7 99.7 50.7 609 609 A R B > -B 37 0B 17 -2,-0.5 4,-2.4 -572,-0.2 3,-0.4 -0.619 22.0-137.3 -75.9 125.4 84.8 96.5 50.4 610 610 A F H > S+ 0 0 0 -574,-1.9 4,-2.4 -2,-0.4 5,-0.2 0.876 102.6 48.3 -48.9 -49.2 86.8 93.5 51.6 611 611 A W H > S+ 0 0 12 -575,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.880 110.9 52.1 -63.5 -35.8 85.8 91.2 48.7 612 612 A A H > S+ 0 0 6 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.934 110.3 47.1 -64.6 -47.5 86.5 94.0 46.2 613 613 A Q H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 115.5 45.7 -60.0 -46.2 90.0 94.5 47.5 614 614 A S H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.877 109.0 56.6 -64.2 -39.5 90.7 90.8 47.5 615 615 A E H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.915 108.9 46.4 -57.8 -44.1 89.2 90.4 44.1 616 616 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.913 113.5 48.9 -66.3 -43.0 91.7 93.0 42.8 617 617 A A H >X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 3,-0.5 0.976 113.3 45.4 -59.8 -56.9 94.6 91.3 44.5 618 618 A V H 3X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.3 5,-0.2 0.878 108.5 57.7 -54.6 -41.9 93.7 87.9 43.3 619 619 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.3 0.891 107.1 48.4 -58.0 -40.4 93.2 89.2 39.7 620 620 A N H