==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-DEC-09 3ABX . COMPND 2 MOLECULE: CELLOBIOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COPRINOPSIS CINEREA; . AUTHOR Y.LIU,M.YOSHIDA,Y.KURAKATA,T.MIYAZAKI,A.NISHIKAWA,T.TONOZUKA . 372 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.6 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 . 0 0.0 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 . 20 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 0 2 0 1 0 0 0 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 1 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 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 13 A V 0 0 151 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.6 14.1 11.5 -9.3 2 14 A N > - 0 0 27 1,-0.2 3,-1.5 2,-0.1 215,-0.0 -0.628 360.0-158.9 -67.4 106.8 12.3 10.9 -5.9 3 15 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.605 83.4 65.3 -70.3 -13.1 8.9 12.2 -6.9 4 16 A Y T > S+ 0 0 8 2,-0.1 3,-1.3 294,-0.0 2,-0.3 0.703 73.4 106.6 -78.1 -20.3 7.9 12.7 -3.2 5 17 A I T < S- 0 0 96 -3,-1.5 3,-0.1 1,-0.3 306,-0.0 -0.427 99.0 -5.5 -70.6 123.1 10.5 15.4 -2.6 6 18 A G T 3 S+ 0 0 52 -2,-0.3 70,-0.4 1,-0.3 -1,-0.3 0.290 108.5 120.1 82.6 -10.6 8.9 18.8 -2.2 7 19 A R < - 0 0 72 -3,-1.3 -1,-0.3 68,-0.1 70,-0.2 -0.465 59.4-137.4 -90.9 158.3 5.5 17.4 -3.2 8 20 A S E -a 77 0A 36 68,-3.1 70,-1.9 -2,-0.1 3,-0.1 -0.891 21.5-138.3-115.6 97.9 2.3 17.4 -1.1 9 21 A P E -a 78 0A 29 0, 0.0 70,-0.2 0, 0.0 2,-0.2 -0.251 35.0 -96.3 -58.3 142.9 0.5 14.1 -1.3 10 22 A L - 0 0 12 68,-2.6 36,-0.7 35,-0.1 2,-0.5 -0.387 24.3-134.4 -71.7 129.9 -3.2 14.5 -1.6 11 23 A V - 0 0 55 34,-0.2 2,-0.9 -2,-0.2 3,-0.1 -0.706 25.8-129.2 -74.8 126.2 -5.5 14.4 1.4 12 24 A I >> - 0 0 10 -2,-0.5 4,-2.4 32,-0.3 3,-0.8 -0.737 15.8-158.3 -85.7 105.8 -8.5 12.2 0.3 13 25 A K H 3> S+ 0 0 112 -2,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.840 89.2 54.8 -53.9 -42.1 -11.6 14.2 1.2 14 26 A S H 3> S+ 0 0 70 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.839 111.2 46.4 -65.8 -31.0 -13.9 11.2 1.4 15 27 A Y H X> S+ 0 0 6 -3,-0.8 4,-1.1 2,-0.2 3,-0.7 0.942 109.7 52.1 -73.6 -48.3 -11.6 9.5 3.9 16 28 A A H 3< S+ 0 0 14 -4,-2.4 3,-0.3 1,-0.2 4,-0.3 0.858 105.6 57.0 -55.0 -35.3 -11.2 12.7 6.0 17 29 A E H >< S+ 0 0 108 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.852 99.1 58.8 -67.1 -34.9 -15.0 12.9 6.2 18 30 A K H X< S+ 0 0 68 -4,-0.9 3,-1.4 -3,-0.7 4,-0.4 0.845 95.9 64.6 -61.8 -33.2 -15.3 9.4 7.7 19 31 A L T 3X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.3 3,-0.4 0.617 78.6 82.4 -69.7 -11.3 -13.1 10.6 10.6 20 32 A E H <> S+ 0 0 105 -3,-1.3 4,-2.6 -4,-0.3 -1,-0.3 0.869 88.3 56.3 -58.1 -33.2 -15.8 13.0 11.7 21 33 A E H <> S+ 0 0 110 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.2 0.855 106.9 48.2 -66.0 -34.4 -17.4 10.0 13.4 22 34 A T H > S+ 0 0 0 -4,-0.4 4,-2.2 -3,-0.4 -2,-0.2 0.897 110.4 50.6 -74.4 -40.8 -14.2 9.4 15.3 23 35 A I H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.933 110.0 51.1 -59.2 -47.2 -13.9 13.1 16.3 24 36 A A H X S+ 0 0 52 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.918 107.8 52.8 -57.0 -46.1 -17.6 12.9 17.5 25 37 A Y H X S+ 0 0 89 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.942 111.8 44.7 -54.2 -52.0 -16.8 9.8 19.6 26 38 A F H <>S+ 0 0 2 -4,-2.2 5,-2.7 1,-0.2 3,-0.4 0.884 111.3 52.4 -64.6 -39.1 -13.9 11.5 21.4 27 39 A E H ><5S+ 0 0 90 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.920 107.6 53.1 -61.3 -42.0 -15.8 14.8 22.0 28 40 A A H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 106.5 53.3 -63.5 -24.5 -18.6 12.7 23.6 29 41 A Q T 3<5S- 0 0 123 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.453 116.9-115.0 -85.9 -3.9 -16.0 11.1 25.9 30 42 A G T < 5S+ 0 0 62 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.2 0.820 73.3 139.1 68.4 33.1 -14.8 14.6 27.0 31 43 A D >< + 0 0 46 -5,-2.7 4,-1.8 1,-0.2 -1,-0.2 -0.778 19.2 165.1-114.3 82.9 -11.5 13.8 25.3 32 44 A E H > S+ 0 0 97 -2,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.804 72.7 58.3 -71.4 -32.4 -10.4 16.9 23.5 33 45 A L H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 110.5 41.4 -63.3 -48.4 -6.8 15.8 23.0 34 46 A N H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.861 112.3 55.3 -72.1 -31.1 -7.8 12.7 21.1 35 47 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.945 111.3 45.9 -56.8 -47.0 -10.4 14.7 19.2 36 48 A A H X S+ 0 0 0 -4,-2.4 334,-1.8 1,-0.2 4,-1.7 0.834 109.7 53.4 -67.4 -34.1 -7.6 17.1 18.2 37 49 A R H X S+ 0 0 51 -4,-2.2 4,-2.0 332,-0.2 -1,-0.2 0.866 106.7 53.1 -66.7 -36.5 -5.3 14.2 17.2 38 50 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.891 104.6 54.6 -66.5 -38.9 -8.1 12.8 15.0 39 51 A R H X S+ 0 0 62 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.902 105.3 53.9 -60.2 -37.7 -8.2 16.2 13.3 40 52 A T H >< S+ 0 0 24 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.942 105.5 53.3 -58.0 -44.9 -4.5 15.8 12.7 41 53 A V H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.878 99.0 63.3 -60.8 -35.1 -5.3 12.5 11.0 42 54 A Q H 3< S+ 0 0 36 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.781 104.3 48.5 -57.2 -28.4 -7.8 14.3 8.7 43 55 A G T << S+ 0 0 48 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.317 89.3 99.4 -95.1 4.7 -4.9 16.2 7.3 44 56 A I S < S- 0 0 28 -3,-2.0 -32,-0.3 -4,-0.2 2,-0.1 -0.824 76.1-121.2 -94.8 124.5 -2.6 13.2 6.7 45 57 A P + 0 0 17 0, 0.0 269,-0.3 0, 0.0 2,-0.3 -0.362 32.5 179.6 -69.0 147.0 -2.6 12.0 3.1 46 58 A T - 0 0 1 -36,-0.7 34,-0.3 267,-0.1 2,-0.3 -0.838 32.8 -91.1-133.5 168.6 -3.6 8.4 2.3 47 59 A F - 0 0 2 267,-1.3 2,-0.5 268,-0.6 34,-0.2 -0.658 29.8-132.7 -82.6 141.6 -3.9 6.4 -1.0 48 60 A A E -b 81 0A 14 32,-2.8 34,-2.3 -2,-0.3 2,-0.4 -0.852 25.2-140.0 -89.8 125.6 -7.1 6.2 -3.0 49 61 A W E -b 82 0A 47 -2,-0.5 2,-0.7 32,-0.2 34,-0.2 -0.728 17.1-166.9 -93.7 129.7 -7.9 2.7 -3.9 50 62 A I E +b 83 0A 2 32,-2.9 34,-1.9 -2,-0.4 -1,-0.0 -0.777 28.8 153.0-109.0 82.1 -9.3 1.7 -7.3 51 63 A S + 0 0 37 -2,-0.7 48,-0.3 32,-0.2 2,-0.3 0.341 62.9 18.7 -99.5 4.4 -10.3 -1.9 -6.4 52 64 A D S S- 0 0 53 46,-0.1 4,-0.3 -3,-0.1 3,-0.3 -0.952 83.4-101.6-160.5 170.1 -13.1 -2.3 -8.9 53 65 A S S > S+ 0 0 19 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 0.852 114.5 62.0 -70.3 -36.7 -14.3 -0.7 -12.1 54 66 A A G > S+ 0 0 65 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.871 95.1 62.9 -56.0 -37.1 -17.1 1.3 -10.5 55 67 A T G > S+ 0 0 36 1,-0.3 3,-2.0 -3,-0.3 4,-0.4 0.702 82.3 78.5 -67.4 -15.0 -14.5 3.2 -8.4 56 68 A I G X> S+ 0 0 2 -3,-1.5 3,-1.8 -4,-0.3 4,-0.6 0.860 81.9 68.6 -58.6 -30.8 -13.1 4.6 -11.7 57 69 A D G <4 S+ 0 0 114 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.670 93.7 57.9 -60.3 -19.7 -16.0 7.0 -11.5 58 70 A T G <> S+ 0 0 73 -3,-2.0 4,-1.8 -4,-0.2 -1,-0.3 0.615 88.5 77.5 -84.1 -14.0 -14.4 8.7 -8.5 59 71 A I H <> S+ 0 0 1 -3,-1.8 4,-2.7 -4,-0.4 5,-0.2 0.925 90.2 47.2 -71.6 -47.4 -11.2 9.5 -10.2 60 72 A Q H X S+ 0 0 46 -4,-0.6 4,-3.0 1,-0.2 5,-0.2 0.935 113.6 48.2 -65.0 -43.6 -12.1 12.6 -12.2 61 73 A P H > S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.896 112.1 51.4 -59.0 -35.1 -13.9 14.3 -9.3 62 74 A L H X S+ 0 0 23 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.926 111.9 46.4 -63.8 -45.3 -10.8 13.5 -7.2 63 75 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.917 110.8 51.6 -62.2 -46.4 -8.6 15.1 -9.9 64 76 A A H X S+ 0 0 43 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.933 112.7 46.2 -57.4 -45.8 -10.8 18.1 -10.2 65 77 A D H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.875 112.0 52.2 -60.3 -42.1 -10.6 18.6 -6.3 66 78 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.894 109.2 48.5 -65.5 -41.1 -6.9 18.1 -6.5 67 79 A V H X S+ 0 0 11 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.931 111.4 49.7 -64.2 -45.4 -6.4 20.7 -9.1 68 80 A A H X S+ 0 0 60 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.919 112.4 48.5 -59.3 -42.5 -8.6 23.2 -7.2 69 81 A H H X S+ 0 0 79 -4,-2.4 4,-3.0 2,-0.2 6,-0.4 0.910 110.0 51.6 -63.5 -43.2 -6.5 22.5 -4.1 70 82 A Q H X S+ 0 0 35 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.930 112.8 45.7 -58.0 -46.4 -3.3 22.9 -6.1 71 83 A E H < S+ 0 0 133 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.936 117.2 44.3 -62.0 -47.3 -4.5 26.3 -7.4 72 84 A A H < S+ 0 0 89 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.908 124.1 32.1 -63.1 -44.4 -5.7 27.4 -3.9 73 85 A S H < S- 0 0 51 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.674 91.4-131.4 -93.0 -22.3 -2.6 26.2 -1.9 74 86 A G < + 0 0 68 -4,-2.1 -4,-0.1 -5,-0.3 -3,-0.1 0.589 61.0 140.6 71.9 12.3 0.3 26.7 -4.3 75 87 A E - 0 0 74 -6,-0.4 2,-0.9 -5,-0.2 -1,-0.2 -0.305 64.0-115.9 -77.2 164.2 1.3 23.1 -3.4 76 88 A Q - 0 0 98 -70,-0.4 -68,-3.1 -3,-0.1 2,-0.3 -0.865 41.2-145.6 -97.0 95.3 2.7 20.5 -5.8 77 89 A V E -a 8 0A 1 -2,-0.9 53,-1.7 -70,-0.2 2,-0.6 -0.458 14.5-164.4 -74.0 128.5 -0.1 18.0 -5.4 78 90 A L E -ac 9 130A 0 -70,-1.9 -68,-2.6 -2,-0.3 2,-0.4 -0.934 9.0-152.1-114.9 105.6 0.8 14.3 -5.6 79 91 A V E - c 0 131A 1 51,-2.8 53,-2.6 -2,-0.6 2,-0.5 -0.662 9.7-153.4 -81.7 125.5 -2.2 12.1 -6.1 80 92 A Q E + c 0 132A 3 -2,-0.4 -32,-2.8 -34,-0.3 2,-0.3 -0.915 19.4 173.8-109.1 122.5 -1.7 8.6 -4.7 81 93 A L E -bc 48 133A 2 51,-2.4 53,-2.7 -2,-0.5 2,-0.5 -0.931 23.6-149.6-127.7 149.8 -3.6 5.7 -6.2 82 94 A V E -bc 49 134A 0 -34,-2.3 -32,-2.9 -2,-0.3 2,-0.6 -0.980 8.7-155.2-116.4 129.6 -3.7 1.9 -5.9 83 95 A I E +bc 50 135A 1 51,-2.7 53,-2.9 -2,-0.5 2,-0.2 -0.925 26.4 161.9-100.9 119.7 -4.6 -0.2 -8.9 84 96 A Y + 0 0 37 -34,-1.9 51,-0.1 -2,-0.6 -2,-0.0 -0.657 31.5 96.9-145.4 77.8 -6.0 -3.5 -7.5 85 97 A N + 0 0 0 -2,-0.2 15,-0.1 13,-0.1 -1,-0.1 0.170 36.7 159.6-156.6 29.6 -8.1 -5.5 -9.9 86 98 A L > - 0 0 1 -3,-0.1 3,-1.0 1,-0.1 14,-0.3 -0.200 51.6 -98.5 -56.3 149.8 -6.1 -8.3 -11.6 87 99 A P T 3 S+ 0 0 1 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.405 113.0 18.1 -68.6 146.0 -8.1 -11.2 -13.1 88 100 A D T 3 S- 0 0 25 12,-2.2 3,-0.3 1,-0.1 13,-0.1 0.884 99.7-164.8 52.4 41.9 -8.2 -14.2 -10.7 89 101 A R < + 0 0 20 -3,-1.0 9,-0.1 11,-0.6 -1,-0.1 -0.083 60.6 16.9 -53.3 148.3 -7.1 -11.7 -8.0 90 102 A D S > S- 0 0 10 48,-0.4 3,-2.1 47,-0.2 -1,-0.2 0.912 76.2-174.8 56.0 51.4 -5.8 -12.9 -4.7 91 103 A a T 3 S+ 0 0 2 -3,-0.3 61,-0.3 1,-0.3 60,-0.3 0.706 75.1 49.3 -57.8 -28.8 -5.1 -16.4 -6.1 92 104 A A T 3 S+ 0 0 40 59,-0.1 -1,-0.3 60,-0.1 2,-0.2 0.540 91.5 98.3 -88.6 -8.1 -4.0 -18.1 -2.8 93 105 A A S < S- 0 0 38 -3,-2.1 3,-0.1 1,-0.1 0, 0.0 -0.478 79.5-127.1 -77.9 150.0 -7.0 -16.8 -0.8 94 106 A K S S+ 0 0 205 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.831 95.7 13.2 -62.2 -32.2 -10.1 -19.0 -0.2 95 107 A A - 0 0 46 236,-0.1 2,-0.4 -5,-0.1 -1,-0.2 -0.990 65.9-165.4-144.8 149.4 -12.2 -16.2 -1.6 96 108 A S - 0 0 25 -2,-0.3 -8,-0.0 2,-0.1 -6,-0.0 -0.998 18.8-155.5-136.1 142.0 -11.7 -13.0 -3.6 97 109 A D + 0 0 113 -2,-0.4 -1,-0.1 234,-0.0 -7,-0.1 0.423 54.7 130.5 -88.7 -0.8 -13.9 -10.0 -4.3 98 110 A G - 0 0 4 1,-0.1 -2,-0.1 -9,-0.1 -10,-0.1 -0.283 54.5-145.1 -55.6 133.0 -12.0 -9.2 -7.4 99 111 A E S S+ 0 0 84 -48,-0.3 2,-0.4 -12,-0.1 -1,-0.1 0.613 71.4 78.6 -83.8 -8.5 -14.5 -8.8 -10.2 100 112 A F - 0 0 20 -14,-0.3 -12,-2.2 -15,-0.1 -11,-0.6 -0.840 54.9-173.9-108.6 136.3 -12.5 -10.3 -13.1 101 113 A H > > - 0 0 72 -2,-0.4 3,-2.2 3,-0.3 5,-1.6 -0.986 28.7-133.7-129.0 135.5 -12.0 -14.0 -13.8 102 114 A L G > 5S+ 0 0 49 -2,-0.4 3,-0.8 1,-0.3 5,-0.3 0.858 107.6 55.7 -56.0 -36.8 -9.8 -15.5 -16.4 103 115 A D G 3 5S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.506 106.3 53.1 -77.3 -2.7 -12.5 -17.9 -17.4 104 116 A D G < 5S- 0 0 99 -3,-2.2 -3,-0.3 0, 0.0 -1,-0.3 -0.370 133.2 -81.8-124.3 53.2 -14.8 -15.0 -18.1 105 117 A D T <>5S+ 0 0 86 -3,-0.8 4,-2.3 -5,-0.1 -3,-0.2 0.774 78.6 154.5 59.5 31.0 -12.6 -12.9 -20.4 106 118 A G H >< + 0 0 0 -5,-1.6 4,-2.3 1,-0.2 -4,-0.2 0.815 62.5 55.3 -64.1 -36.8 -10.8 -11.5 -17.4 107 119 A A H > S+ 0 0 48 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.941 113.2 41.4 -63.4 -45.6 -7.5 -10.7 -19.1 108 120 A N H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 114.2 52.9 -67.8 -38.6 -9.2 -8.5 -21.7 109 121 A K H X S+ 0 0 74 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.871 107.2 52.4 -65.8 -35.5 -11.5 -7.0 -19.2 110 122 A Y H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.927 107.2 52.2 -65.9 -44.4 -8.5 -6.0 -17.0 111 123 A R H X S+ 0 0 106 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.934 110.5 47.7 -54.4 -47.3 -6.9 -4.3 -20.0 112 124 A A H X S+ 0 0 49 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.846 109.2 53.6 -65.4 -34.4 -10.0 -2.3 -20.6 113 125 A Y H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.933 110.4 47.1 -61.8 -45.7 -10.2 -1.4 -16.9 114 126 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.940 110.0 53.8 -58.5 -44.7 -6.6 -0.1 -17.1 115 127 A D H X S+ 0 0 71 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.841 106.4 51.9 -60.0 -35.7 -7.6 1.8 -20.3 116 128 A R H X S+ 0 0 114 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.895 110.5 47.9 -68.0 -39.3 -10.5 3.5 -18.4 117 129 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.945 109.4 53.9 -64.3 -45.6 -8.0 4.5 -15.7 118 130 A V H < S+ 0 0 30 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.924 104.9 54.1 -55.3 -46.1 -5.6 5.8 -18.4 119 131 A A H >< S+ 0 0 56 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.921 110.1 46.8 -55.2 -44.7 -8.4 8.0 -19.9 120 132 A E H >< S+ 0 0 59 -4,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.855 112.3 50.0 -67.4 -32.5 -9.0 9.6 -16.5 121 133 A L T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.288 104.7 61.7 -86.6 10.7 -5.3 10.2 -15.9 122 134 A S T < S+ 0 0 45 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.232 75.7 113.3-120.9 10.4 -4.9 11.8 -19.4 123 135 A T S <> S- 0 0 42 -3,-0.7 4,-2.2 -4,-0.1 5,-0.2 -0.324 82.3-104.9 -77.1 164.6 -7.2 14.8 -19.1 124 136 A A H > S+ 0 0 74 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.881 124.5 49.7 -56.5 -39.8 -6.0 18.4 -19.1 125 137 A D H >4 S+ 0 0 51 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.923 108.1 52.2 -64.3 -44.9 -6.6 18.5 -15.3 126 138 A A H >4 S+ 0 0 0 1,-0.3 3,-1.8 -6,-0.2 -2,-0.2 0.894 102.0 61.5 -57.4 -36.8 -4.7 15.3 -14.8 127 139 A D H 3< S+ 0 0 95 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.721 97.2 58.8 -64.2 -22.4 -1.8 16.7 -16.7 128 140 A K T << S+ 0 0 101 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.605 104.2 62.3 -78.6 -14.6 -1.5 19.5 -14.1 129 141 A L S < S- 0 0 7 -3,-1.8 2,-0.4 -4,-0.4 -51,-0.2 -0.500 75.0-128.1-107.4 170.8 -0.9 17.0 -11.3 130 142 A H E -c 78 0A 17 -53,-1.7 -51,-2.8 -2,-0.2 2,-0.4 -0.931 24.3-152.3-116.4 149.8 1.7 14.3 -10.4 131 143 A F E -cd 79 175A 0 43,-2.5 45,-2.6 -2,-0.4 2,-0.5 -0.957 15.0-165.9-124.9 141.0 0.7 10.7 -9.5 132 144 A S E -cd 80 176A 0 -53,-2.6 -51,-2.4 -2,-0.4 2,-0.5 -0.997 22.2-170.3-118.5 122.7 2.2 8.0 -7.4 133 145 A I E -cd 81 177A 0 43,-2.6 45,-2.9 -2,-0.5 2,-0.5 -0.958 17.1-151.7-127.5 124.1 0.6 4.7 -8.2 134 146 A V E -cd 82 178A 0 -53,-2.7 -51,-2.7 -2,-0.5 2,-0.7 -0.797 22.4-140.2 -88.4 129.0 0.9 1.3 -6.4 135 147 A L E -cd 83 179A 0 43,-2.8 45,-2.4 -2,-0.5 -51,-0.1 -0.839 54.2 -35.0-104.4 111.3 0.4 -1.6 -8.7 136 148 A E > - 0 0 1 -53,-2.9 3,-0.7 -2,-0.7 4,-0.4 0.927 58.0-148.3 60.2 72.3 -1.5 -4.7 -7.6 137 149 A P T 3 S+ 0 0 12 0, 0.0 -47,-0.2 0, 0.0 -1,-0.1 -0.241 81.8 26.0 -57.4 155.2 -1.2 -5.7 -4.0 138 150 A D T 3 S+ 0 0 49 1,-0.1 -48,-0.4 -49,-0.1 -47,-0.3 0.823 102.7 98.9 60.4 35.7 -1.4 -9.4 -3.2 139 151 A S S X S+ 0 0 3 -3,-0.7 3,-2.0 -49,-0.1 4,-0.4 0.675 73.4 27.4-113.8 -84.3 -0.2 -10.4 -6.7 140 152 A L T >> S+ 0 0 1 -4,-0.4 3,-1.2 1,-0.3 4,-0.5 0.690 106.1 71.2 -67.8 -23.7 3.4 -11.4 -7.6 141 153 A G H >> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 3,-1.1 0.814 90.8 64.6 -55.9 -30.1 4.4 -12.8 -4.2 142 154 A N H <> S+ 0 0 2 -3,-2.0 4,-1.9 1,-0.3 -1,-0.3 0.788 94.8 56.7 -66.7 -29.1 2.0 -15.6 -5.0 143 155 A M H <4 S+ 0 0 21 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.664 110.1 47.2 -72.9 -17.2 4.2 -16.7 -7.9 144 156 A V H << S+ 0 0 30 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.889 132.5 9.1 -88.2 -44.3 7.1 -17.0 -5.4 145 157 A T H < S+ 0 0 42 -4,-2.1 3,-0.2 1,-0.1 -3,-0.2 0.561 123.8 53.5-116.5 -12.6 5.5 -18.9 -2.6 146 158 A N >< + 0 0 33 -4,-1.9 3,-2.0 -5,-0.3 6,-0.3 0.084 58.8 119.1-121.3 25.8 2.0 -20.2 -3.8 147 159 A M T 3 + 0 0 76 1,-0.3 -1,-0.1 5,-0.1 -4,-0.1 0.529 69.7 69.2 -73.3 -2.4 2.7 -22.0 -7.0 148 160 A H T 3 S+ 0 0 135 -3,-0.2 -1,-0.3 4,-0.0 -2,-0.1 0.511 81.5 92.9 -83.2 -8.1 1.3 -25.2 -5.4 149 161 A V S <> S- 0 0 31 -3,-2.0 4,-2.7 -7,-0.2 3,-0.5 -0.791 75.9-142.0 -89.9 120.2 -2.1 -23.5 -5.5 150 162 A P H > S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.867 101.0 51.4 -47.2 -46.7 -4.1 -24.4 -8.6 151 163 A K H > S+ 0 0 64 -60,-0.3 4,-0.9 1,-0.2 -59,-0.1 0.890 111.8 47.1 -62.0 -39.7 -5.5 -20.8 -8.9 152 164 A a H >> S+ 0 0 0 -3,-0.5 4,-1.4 -61,-0.3 3,-0.5 0.910 109.7 53.3 -67.0 -41.7 -2.1 -19.3 -8.6 153 165 A Q H 3< S+ 0 0 113 -4,-2.7 4,-0.4 -7,-0.2 3,-0.3 0.914 112.9 44.7 -53.9 -44.2 -0.7 -21.8 -11.2 154 166 A G H 3< S+ 0 0 55 -4,-2.3 -1,-0.2 -5,-0.2 4,-0.2 0.638 118.3 43.3 -78.3 -14.0 -3.4 -20.7 -13.6 155 167 A A H S+ 0 0 81 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.915 115.3 53.5 -61.0 -40.8 1.2 -15.6 -16.5 158 170 A A H > S+ 0 0 14 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.836 106.7 51.4 -63.6 -36.5 -1.9 -13.4 -16.3 159 171 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.941 114.0 43.5 -65.1 -45.9 -0.5 -11.5 -13.2 160 172 A K H X S+ 0 0 33 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.929 117.9 44.6 -65.4 -45.1 2.8 -10.8 -15.0 161 173 A E H X S+ 0 0 108 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.854 114.0 50.8 -69.0 -35.5 1.0 -9.8 -18.3 162 174 A G H X S+ 0 0 9 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.964 113.7 42.1 -65.5 -53.4 -1.6 -7.7 -16.5 163 175 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.898 112.1 57.0 -61.4 -38.8 0.9 -5.7 -14.4 164 176 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.917 108.0 47.1 -58.4 -42.9 3.1 -5.4 -17.5 165 177 A Y H X S+ 0 0 32 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.901 110.5 51.7 -65.5 -42.5 0.2 -3.8 -19.4 166 178 A T H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.943 113.1 45.2 -60.0 -44.9 -0.5 -1.5 -16.5 167 179 A I H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.957 114.2 48.5 -59.8 -51.3 3.2 -0.4 -16.4 168 180 A A H 3< S+ 0 0 6 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.746 111.1 52.2 -63.4 -26.0 3.3 -0.0 -20.2 169 181 A S H 3< S+ 0 0 28 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.556 105.8 53.2 -84.8 -11.6 0.1 2.0 -20.2 170 182 A L << + 0 0 1 -3,-1.4 2,-1.0 -4,-0.7 -1,-0.2 -0.221 64.6 135.0-125.5 41.8 1.1 4.6 -17.6 171 183 A Q + 0 0 60 -3,-0.5 5,-0.1 3,-0.0 45,-0.0 -0.817 29.4 133.5 -92.5 101.3 4.4 5.9 -19.0 172 184 A K > - 0 0 62 -2,-1.0 3,-1.8 3,-0.4 -2,-0.0 -0.985 66.1-116.5-146.5 150.0 4.1 9.7 -18.5 173 185 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.767 115.5 50.8 -62.0 -22.8 6.4 12.3 -17.1 174 186 A N T 3 S+ 0 0 20 -44,-0.1 -43,-2.5 2,-0.0 2,-0.4 0.157 98.1 80.2-100.8 16.1 3.9 13.1 -14.3 175 187 A I E < -d 131 0A 13 -3,-1.8 2,-0.4 -45,-0.2 -3,-0.4 -0.992 52.7-171.4-128.0 126.5 3.4 9.5 -13.2 176 188 A D E -d 132 0A 31 -45,-2.6 -43,-2.6 -2,-0.4 2,-0.4 -0.966 14.4-153.4-112.3 137.3 5.6 7.3 -10.9 177 189 A L E -d 133 0A 2 -2,-0.4 40,-2.3 -45,-0.2 41,-1.5 -0.893 11.3-171.0-116.0 135.7 4.8 3.6 -10.5 178 190 A Y E -de 134 218A 0 -45,-2.9 -43,-2.8 -2,-0.4 2,-0.3 -0.985 18.3-141.6-125.5 119.2 5.6 1.3 -7.6 179 191 A I E -de 135 219A 0 39,-2.6 41,-2.2 -2,-0.5 -43,-0.1 -0.619 31.0-108.8 -77.0 133.8 5.0 -2.4 -8.0 180 192 A D E - e 0 220A 10 -45,-2.4 -40,-0.2 -2,-0.3 41,-0.2 -0.420 35.1-177.8 -62.7 136.1 3.6 -4.0 -4.9 181 193 A A - 0 0 1 39,-3.2 6,-0.2 1,-0.4 -1,-0.1 -0.122 30.8-129.0-129.2 35.9 6.3 -6.2 -3.2 182 194 A A - 0 0 9 38,-0.1 40,-2.5 39,-0.1 41,-0.5 -0.198 41.6 -68.9 57.5-142.9 4.4 -7.6 -0.2 183 195 A H >>> - 0 0 24 38,-0.2 3,-2.1 39,-0.2 4,-1.9 -0.911 44.0 -90.7-146.8 168.8 6.1 -7.3 3.2 184 196 A G H 3>5S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.3 59,-0.3 0.806 120.4 57.7 -58.7 -31.3 9.1 -8.7 5.0 185 197 A G H 345S+ 0 0 14 3,-0.1 -1,-0.3 2,-0.1 59,-0.1 0.550 115.8 36.2 -77.8 -6.5 7.2 -11.6 6.5 186 198 A W H <45S+ 0 0 48 -3,-2.1 3,-0.4 96,-0.0 -2,-0.2 0.795 135.3 12.4-104.1 -64.6 6.2 -12.8 3.0 187 199 A L H <5S+ 0 0 2 -4,-1.9 -3,-0.2 -6,-0.2 9,-0.2 0.440 107.9 81.4-100.7 3.3 9.1 -12.2 0.6 188 200 A G << + 0 0 0 -4,-1.1 54,-0.5 -5,-0.6 -1,-0.2 0.658 61.8 111.2 -85.0 -17.3 11.9 -11.4 3.1 189 201 A W S >> S- 0 0 85 -3,-0.4 3,-2.2 -5,-0.2 4,-0.9 -0.283 83.8-109.4 -56.0 143.8 12.7 -15.0 3.9 190 202 A N H >> S+ 0 0 94 50,-0.5 3,-0.8 1,-0.3 4,-0.5 0.840 115.3 47.3 -49.4 -45.9 16.1 -16.0 2.5 191 203 A D H 34 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.577 109.2 55.7 -78.7 -6.5 14.9 -18.3 -0.3 192 204 A N H <> S+ 0 0 29 -3,-2.2 4,-1.7 2,-0.1 -1,-0.2 0.615 88.1 77.3 -96.3 -14.8 12.2 -15.8 -1.5 193 205 A L H S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.860 111.4 53.0 -58.9 -31.7 12.9 -15.2 -7.1 196 208 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.962 109.7 46.2 -63.4 -52.7 11.1 -12.0 -6.0 197 209 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.924 113.0 52.4 -55.0 -43.6 13.7 -9.8 -7.6 198 210 A E H X S+ 0 0 95 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.901 108.6 48.0 -62.0 -40.0 13.6 -12.0 -10.7 199 211 A I H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.864 109.8 52.3 -74.1 -32.3 9.8 -11.8 -11.1 200 212 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.939 113.9 44.4 -63.7 -43.8 9.8 -8.0 -10.7 201 213 A K H X S+ 0 0 38 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.898 111.4 53.2 -66.7 -40.8 12.4 -7.8 -13.5 202 214 A E H X S+ 0 0 82 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.906 110.5 48.0 -59.4 -42.4 10.5 -10.3 -15.6 203 215 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.900 111.2 49.3 -67.5 -41.9 7.4 -8.2 -15.4 204 216 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 109.1 53.3 -62.8 -41.5 9.2 -5.0 -16.2 205 217 A D H X S+ 0 0 72 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.891 107.5 50.9 -62.0 -37.4 10.8 -6.7 -19.2 206 218 A L H >< S+ 0 0 39 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.912 107.0 54.6 -65.5 -39.5 7.3 -7.7 -20.4 207 219 A A H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-1.5 0.889 103.5 55.9 -58.3 -38.1 6.2 -4.1 -20.1 208 220 A R H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.682 97.3 62.4 -73.1 -17.4 9.1 -3.1 -22.3 209 221 A Q T << S+ 0 0 156 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.564 113.5 37.1 -75.9 -13.6 7.9 -5.4 -25.1 210 222 A I T <4 S+ 0 0 72 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.815 132.6 22.0-100.2 -54.2 4.7 -3.3 -25.1 211 223 A T S >< S- 0 0 46 -4,-2.6 3,-2.3 1,-0.1 -1,-0.3 -0.934 83.3-140.1-119.1 103.4 6.1 0.2 -24.5 212 224 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 93.0 28.7 -35.1 -57.7 9.8 0.3 -25.5 213 225 A N T 3 S+ 0 0 149 -45,-0.1 -5,-0.1 -6,-0.1 -4,-0.1 0.119 84.6 157.1-101.3 29.8 11.4 2.4 -22.8 214 226 A A < + 0 0 0 -3,-2.3 2,-0.3 -7,-0.2 -6,-0.1 -0.156 13.6 174.1 -57.8 136.8 9.0 1.6 -20.0 215 227 A T - 0 0 75 -48,-0.2 2,-0.3 -8,-0.1 -38,-0.1 -0.913 21.8-150.0-134.2 165.7 10.2 2.1 -16.4 216 228 A V - 0 0 11 -2,-0.3 -38,-0.2 1,-0.1 3,-0.1 -0.902 21.8-131.4-125.2 162.5 8.9 2.0 -12.9 217 229 A R - 0 0 47 -40,-2.3 48,-0.4 -2,-0.3 2,-0.3 0.857 63.7 -93.3 -77.4 -36.6 10.2 4.0 -9.9 218 230 A G E -e 178 0A 0 -41,-1.5 -39,-2.6 46,-0.1 2,-0.3 -0.901 56.8 -31.0 162.5-135.7 10.4 0.9 -7.7 219 231 A L E -ef 179 266A 0 46,-2.7 48,-2.1 -41,-0.3 2,-0.4 -0.849 31.5-141.9-125.7 153.5 8.4 -1.1 -5.2 220 232 A A E -ef 180 267A 0 -41,-2.2 -39,-3.2 -2,-0.3 2,-0.3 -0.975 27.2-169.4-113.1 131.9 5.8 -0.6 -2.5 221 233 A I E + f 0 268A 0 46,-2.4 48,-2.6 -2,-0.4 -38,-0.2 -0.873 56.0 19.5-125.9 157.0 6.0 -2.6 0.7 222 234 A N S > S+ 0 0 0 -40,-2.5 3,-2.5 -2,-0.3 -39,-0.2 0.572 71.7 174.5 66.4 16.7 4.0 -3.4 3.8 223 235 A V T 3 S- 0 0 17 -41,-0.5 -1,-0.2 1,-0.3 3,-0.1 -0.317 72.5 -4.8 -58.2 124.4 0.8 -2.3 2.0 224 236 A S T 3 S+ 0 0 35 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.475 115.9 108.6 68.3 5.7 -2.2 -3.1 4.3 225 237 A N < - 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