==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-NOV-04 1XWT . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR D.DE VOS,T.COLLINS,A.HOYOUX,S.N.SAVVIDES,C.GERDAY,J.J.VAN . 403 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 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 . 22 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 2 0 0 0 0 0 2 0 2 1 3 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 5 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 0 122 0, 0.0 23,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 148.9 11.6 20.6 -1.2 2 2 A F - 0 0 24 1,-0.1 2,-1.1 356,-0.1 356,-0.1 -0.398 360.0-128.4 -58.9 130.3 11.9 17.4 0.8 3 3 A N + 0 0 65 1,-0.1 -1,-0.1 -2,-0.1 352,-0.1 -0.730 29.2 178.6 -81.8 100.0 15.3 17.1 2.6 4 4 A N S S+ 0 0 81 -2,-1.1 -1,-0.1 1,-0.2 -2,-0.1 0.286 70.7 65.7 -87.2 12.0 16.4 13.6 1.4 5 5 A N S S- 0 0 114 0, 0.0 -1,-0.2 0, 0.0 351,-0.1 -0.541 77.1-165.7-127.8 65.1 19.7 13.9 3.3 6 6 A P - 0 0 6 0, 0.0 -2,-0.0 0, 0.0 288,-0.0 -0.232 28.8-102.1 -59.5 139.8 18.6 14.0 7.0 7 7 A S - 0 0 70 2,-0.1 291,-2.5 1,-0.1 4,-0.1 -0.253 9.4-139.9 -64.9 144.3 21.4 15.2 9.3 8 8 A S S S+ 0 0 75 289,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.506 91.4 78.8 -75.1 -10.6 23.3 12.7 11.5 9 9 A V S S- 0 0 79 288,-0.1 288,-0.3 4,-0.0 -2,-0.1 -0.913 84.7-134.1 -99.2 123.8 23.1 15.4 14.2 10 10 A G >> - 0 0 2 286,-0.6 4,-2.4 -2,-0.5 3,-0.6 -0.324 16.3-115.5 -78.5 160.9 19.7 15.4 15.9 11 11 A A H 3> S+ 0 0 3 283,-2.7 4,-2.3 1,-0.2 284,-0.2 0.787 114.2 64.7 -57.6 -31.6 17.4 18.3 16.7 12 12 A Y H 34 S+ 0 0 30 283,-2.3 -1,-0.2 282,-0.2 284,-0.1 0.897 112.0 34.4 -63.5 -38.4 17.8 17.5 20.4 13 13 A S H <4 S+ 0 0 92 -3,-0.6 -2,-0.2 282,-0.5 -1,-0.2 0.897 128.4 34.1 -79.0 -44.1 21.6 18.4 20.1 14 14 A S H < S- 0 0 60 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.737 92.3-132.1 -86.6 -26.1 21.4 21.2 17.5 15 15 A G < + 0 0 55 -4,-2.3 2,-0.8 -5,-0.3 -4,-0.1 0.386 67.4 126.0 77.7 1.5 18.1 22.9 18.4 16 16 A T - 0 0 105 -6,-0.2 2,-0.4 -5,-0.0 -1,-0.2 -0.838 41.9-168.0 -97.0 109.6 17.1 22.8 14.7 17 17 A Y - 0 0 46 -2,-0.8 2,-0.1 -3,-0.1 381,-0.0 -0.831 17.8-128.4 -98.1 129.9 13.7 21.1 14.2 18 18 A R - 0 0 33 -2,-0.4 2,-0.5 276,-0.1 377,-0.2 -0.471 6.7-150.6 -67.6 147.8 12.6 20.2 10.7 19 19 A N > - 0 0 27 1,-0.1 4,-2.4 375,-0.1 3,-0.2 -0.898 15.1-176.0-117.1 92.1 9.1 21.3 9.5 20 20 A L H > S+ 0 0 0 -2,-0.5 4,-2.0 372,-0.3 374,-0.2 0.889 80.4 55.5 -61.3 -40.3 8.3 18.5 7.1 21 21 A A H 4>S+ 0 0 0 372,-2.9 5,-2.4 1,-0.2 -1,-0.2 0.892 109.3 48.2 -60.6 -37.3 5.0 20.0 6.0 22 22 A Q H >45S+ 0 0 131 371,-0.3 3,-1.9 -3,-0.2 -2,-0.2 0.916 107.8 53.7 -71.0 -43.1 6.9 23.2 5.0 23 23 A E H 3<5S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.876 107.0 54.5 -53.1 -35.6 9.6 21.2 3.2 24 24 A M T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.313 121.4-108.7 -86.7 7.1 6.7 19.6 1.2 25 25 A G T < 5 + 0 0 60 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.632 64.9 152.2 82.3 16.7 5.4 23.1 0.2 26 26 A K < - 0 0 58 -5,-2.4 2,-0.2 1,-0.0 -1,-0.2 -0.410 28.1-151.9 -82.5 157.9 2.2 23.1 2.4 27 27 A T S S+ 0 0 107 1,-0.2 -1,-0.0 -2,-0.1 -5,-0.0 -0.749 70.0 31.6-122.3 169.2 0.6 26.3 3.8 28 28 A N S > S+ 0 0 127 -2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.855 73.1 153.1 51.1 39.5 -1.5 27.1 6.8 29 29 A I H > + 0 0 15 2,-0.2 4,-2.1 -3,-0.2 5,-0.2 0.944 66.1 43.4 -66.9 -52.0 0.5 24.4 8.7 30 30 A Q H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.886 111.5 56.1 -65.8 -36.5 0.2 25.8 12.2 31 31 A Q H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.919 108.5 47.8 -57.4 -44.0 -3.5 26.5 11.7 32 32 A K H X S+ 0 0 45 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.900 111.5 49.7 -66.6 -41.5 -4.1 22.9 10.7 33 33 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.936 113.0 47.7 -59.3 -46.3 -2.1 21.6 13.8 34 34 A N H X S+ 0 0 79 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.902 111.2 49.1 -65.6 -42.7 -4.2 23.9 16.1 35 35 A S H X S+ 0 0 50 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.861 107.5 56.7 -65.4 -35.3 -7.5 22.9 14.6 36 36 A T H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.958 111.7 41.6 -60.5 -50.1 -6.6 19.2 15.0 37 37 A F H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.953 114.3 52.1 -59.9 -49.1 -5.9 19.7 18.7 38 38 A D H < S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.881 112.9 44.1 -60.7 -38.2 -9.1 21.9 19.2 39 39 A N H >< S+ 0 0 56 -4,-2.6 3,-0.7 2,-0.2 5,-0.3 0.867 114.4 48.3 -73.0 -39.1 -11.4 19.4 17.5 40 40 A M H 3< S+ 0 0 4 -4,-2.1 9,-2.7 -5,-0.2 10,-1.6 0.864 121.2 37.6 -66.3 -35.5 -9.9 16.4 19.3 41 41 A F T 3< S+ 0 0 12 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.119 101.5 96.0-104.9 19.6 -10.1 18.2 22.7 42 42 A G S < S- 0 0 19 -3,-0.7 2,-1.9 -5,-0.1 3,-0.4 -0.769 82.9-112.0-111.9 157.6 -13.5 20.0 22.0 43 43 A Y S S+ 0 0 152 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.434 79.3 113.4 -88.1 66.9 -17.0 18.9 23.0 44 44 A N - 0 0 52 -2,-1.9 -1,-0.2 -5,-0.3 -4,-0.1 0.495 67.5-141.1-114.4 -8.5 -18.2 18.2 19.4 45 45 A N S S+ 0 0 107 -3,-0.4 331,-0.1 1,-0.1 -2,-0.1 0.689 85.6 84.1 45.9 30.8 -18.8 14.4 19.6 46 46 A T S S- 0 0 65 -7,-0.2 330,-0.6 329,-0.1 -1,-0.1 0.699 111.9 -2.7-121.1 -76.7 -17.3 14.3 16.0 47 47 A Q S S+ 0 0 42 -8,-0.2 -8,-0.1 328,-0.2 -4,-0.1 0.602 103.9 130.3 -85.7 -18.3 -13.5 14.3 16.1 48 48 A Q + 0 0 8 1,-0.1 -8,-0.2 -6,-0.1 -7,-0.2 -0.063 20.4 156.5 -48.1 129.4 -13.6 14.5 20.0 49 49 A L + 0 0 1 -9,-2.7 16,-2.5 334,-0.1 2,-0.6 0.459 54.5 86.0-119.4 -15.2 -11.6 12.0 22.0 50 50 A Y E +A 64 0A 11 -10,-1.6 14,-0.2 14,-0.2 -1,-0.1 -0.837 57.2 173.3 -98.5 116.3 -11.3 14.1 25.3 51 51 A Y E -A 63 0A 22 12,-2.7 12,-2.5 -2,-0.6 2,-0.1 -0.962 29.8-117.3-129.1 142.2 -14.2 13.6 27.6 52 52 A P E -A 62 0A 49 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.467 19.5-147.5 -75.1 147.8 -15.0 14.7 31.2 53 53 A Y E +A 61 0A 4 8,-3.1 7,-2.4 -2,-0.1 8,-1.3 -0.982 21.4 178.7-114.9 122.8 -15.5 12.1 34.0 54 54 A T E -A 59 0A 71 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.891 18.8-153.4-122.4 153.6 -18.1 13.1 36.7 55 55 A E E > S-A 58 0A 49 3,-2.4 3,-2.1 -2,-0.3 77,-0.1 -0.981 82.0 -19.0-129.3 117.2 -19.3 11.2 39.8 56 56 A N T 3 S- 0 0 144 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.866 129.6 -51.6 51.2 40.2 -22.8 12.1 41.1 57 57 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.387 112.7 122.4 82.0 -0.3 -22.6 15.3 39.2 58 58 A V E < -A 55 0A 80 -3,-2.1 -3,-2.4 1,-0.0 -1,-0.2 -0.831 64.6-123.2 -98.1 122.3 -19.2 16.3 40.6 59 59 A Y E +A 54 0A 95 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.402 38.7 163.3 -62.3 133.4 -16.4 16.9 38.0 60 60 A K E - 0 0 77 -7,-2.4 2,-0.3 1,-0.4 -6,-0.2 0.731 50.2 -50.9-114.2 -62.4 -13.3 14.8 38.6 61 61 A A E -A 53 0A 1 -8,-1.3 -8,-3.1 40,-0.1 -1,-0.4 -0.880 50.6 -96.9-165.0-174.2 -11.0 14.5 35.6 62 62 A H E -A 52 0A 6 36,-1.9 2,-0.3 -2,-0.3 40,-0.3 -0.909 27.2-168.7-124.1 155.4 -10.8 13.8 31.9 63 63 A Y E -A 51 0A 14 -12,-2.5 -12,-2.7 -2,-0.3 2,-0.6 -0.958 29.8-114.2-136.6 159.3 -10.0 10.8 29.8 64 64 A I E -A 50 0A 0 -2,-0.3 2,-0.6 -14,-0.2 12,-0.6 -0.856 40.7-135.4 -87.0 118.5 -9.2 9.8 26.2 65 65 A K E -B 75 0B 39 -16,-2.5 2,-1.7 -2,-0.6 10,-0.2 -0.732 6.6-150.3 -86.2 118.1 -12.1 7.6 25.2 66 66 A A E -B 74 0B 3 8,-2.4 8,-2.1 -2,-0.6 -1,-0.1 -0.618 24.0-152.7 -84.7 80.2 -11.2 4.4 23.3 67 67 A I + 0 0 23 -2,-1.7 313,-0.3 6,-0.2 314,-0.2 -0.319 20.3 175.9 -57.0 134.6 -14.5 4.3 21.3 68 68 A N > - 0 0 31 1,-0.1 4,-1.6 312,-0.1 310,-0.1 -0.786 22.0-176.7-154.0 100.7 -15.3 0.7 20.4 69 69 A P T 4 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.722 86.3 50.8 -72.6 -22.7 -18.5 -0.4 18.7 70 70 A D T 4 S+ 0 0 124 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.868 128.1 13.3 -83.8 -38.6 -17.7 -4.1 18.8 71 71 A E T 4 S- 0 0 86 1,-0.1 -1,-0.1 3,-0.0 2,-0.0 0.381 114.9 -88.8-124.7 3.6 -16.8 -4.6 22.5 72 72 A G < - 0 0 33 -4,-1.6 -1,-0.1 2,-0.0 -2,-0.1 0.215 55.6 -65.4 92.9 142.3 -18.0 -1.4 24.2 73 73 A D + 0 0 76 -4,-0.1 55,-0.3 -6,-0.1 -6,-0.2 -0.270 60.6 173.7 -59.2 140.4 -16.1 1.9 24.8 74 74 A D E -B 66 0B 3 -8,-2.1 -8,-2.4 53,-0.1 2,-0.4 -0.739 29.1-116.4-138.0-173.9 -13.1 1.6 27.1 75 75 A I E -BC 65 126B 4 51,-2.1 51,-2.5 -2,-0.2 2,-0.3 -0.999 28.9-166.8-135.5 126.2 -10.2 3.8 28.4 76 76 A R E > - C 0 125B 60 -12,-0.6 4,-1.9 -2,-0.4 -12,-0.2 -0.855 28.8-133.5-123.0 149.7 -6.6 2.9 27.7 77 77 A T H > S+ 0 0 1 47,-0.9 4,-2.6 -2,-0.3 5,-0.2 0.853 105.9 57.6 -68.3 -33.4 -3.2 4.1 29.0 78 78 A E H > S+ 0 0 26 46,-0.2 4,-2.5 2,-0.2 5,-0.2 0.983 110.1 42.6 -61.1 -54.4 -1.7 4.5 25.5 79 79 A G H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 114.9 51.2 -58.7 -41.8 -4.4 7.0 24.5 80 80 A Q H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.929 113.4 43.7 -59.5 -48.8 -4.2 8.8 27.8 81 81 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.851 113.0 51.5 -69.6 -37.7 -0.4 9.2 27.6 82 82 A W H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.897 108.8 52.5 -64.6 -40.5 -0.5 10.2 24.0 83 83 A G H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.899 109.4 48.4 -60.8 -43.6 -3.1 12.9 24.8 84 84 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.901 109.9 52.8 -63.7 -38.9 -0.9 14.3 27.6 85 85 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.928 110.0 48.1 -62.9 -43.9 2.0 14.3 25.2 86 86 A A H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.928 110.6 52.0 -60.8 -46.2 -0.0 16.3 22.6 87 87 A A H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-0.4 0.919 108.8 48.4 -60.1 -45.6 -1.2 18.7 25.2 88 88 A V H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.892 107.2 56.3 -67.1 -34.8 2.3 19.6 26.5 89 89 A M H 3<5S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 113.8 40.1 -64.0 -31.2 3.7 20.1 23.0 90 90 A L T 3<5S- 0 0 27 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.285 115.5-111.8-100.3 9.9 1.0 22.8 22.3 91 91 A N T < 5 + 0 0 87 -3,-1.1 2,-1.0 -4,-0.4 -3,-0.2 0.868 63.4 152.7 64.5 42.6 1.2 24.4 25.8 92 92 A K >< + 0 0 67 -5,-2.8 4,-2.0 1,-0.2 -1,-0.2 -0.718 11.4 168.4-106.7 81.6 -2.3 23.1 26.8 93 93 A Q H > + 0 0 80 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.879 68.5 50.3 -74.3 -42.8 -2.0 22.9 30.6 94 94 A E H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 112.8 48.9 -60.0 -46.0 -5.6 22.4 31.8 95 95 A E H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.928 113.3 47.7 -57.7 -48.6 -6.1 19.5 29.3 96 96 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.945 113.6 46.5 -54.7 -52.9 -2.8 17.9 30.4 97 97 A D H X S+ 0 0 8 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.874 109.8 53.0 -63.8 -39.7 -3.6 18.3 34.1 98 98 A N H X S+ 0 0 17 -4,-2.6 -36,-1.9 -5,-0.2 4,-1.3 0.889 113.5 44.1 -64.8 -38.8 -7.2 16.9 33.7 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.917 114.2 48.5 -69.9 -42.7 -5.8 13.8 31.9 100 100 A W H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.912 107.6 55.6 -68.0 -37.3 -2.9 13.3 34.4 101 101 A R H X S+ 0 0 56 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.909 109.5 47.6 -57.4 -43.6 -5.3 13.6 37.3 102 102 A F H X>S+ 0 0 0 -4,-1.3 4,-2.8 -40,-0.3 5,-0.8 0.925 112.5 48.7 -63.2 -46.0 -7.4 10.8 35.9 103 103 A A H X>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-1.3 0.948 113.3 45.3 -61.6 -50.2 -4.4 8.5 35.2 104 104 A K H <5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 121.1 39.2 -65.8 -37.3 -2.9 8.9 38.7 105 105 A A H <5S+ 0 0 62 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.885 133.3 14.9 -75.2 -44.2 -6.3 8.4 40.4 106 106 A Y H <5S+ 0 0 48 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.712 125.8 44.2-114.4 -32.1 -7.9 5.7 38.4 107 107 A Q T < - 0 0 60 0, 0.0 3,-1.8 0, 0.0 10,-0.5 -0.161 24.1-125.1 -58.9 148.7 -1.7 0.8 44.2 111 111 A D T 3 S+ 0 0 93 1,-0.3 8,-0.1 8,-0.3 -2,-0.0 0.683 112.8 49.5 -66.9 -18.1 1.9 0.7 45.4 112 112 A N T 3 S+ 0 0 136 6,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.031 76.9 149.2-109.7 25.4 0.9 -2.0 47.9 113 113 A H < - 0 0 18 -3,-1.8 6,-0.2 1,-0.1 5,-0.1 -0.277 58.4-120.3 -50.4 140.6 -1.0 -4.2 45.5 114 114 A P S S+ 0 0 130 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.791 103.4 69.9 -60.9 -25.9 -0.6 -7.8 46.7 115 115 A D S >> S- 0 0 50 1,-0.2 3,-2.0 2,-0.0 4,-0.6 -0.838 75.0-156.9 -92.6 109.2 1.0 -8.7 43.3 116 116 A A G >4 S+ 0 0 53 -2,-0.8 3,-0.9 1,-0.3 -1,-0.2 0.816 90.1 63.9 -57.4 -30.5 4.5 -7.0 43.5 117 117 A K G 34 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 77,-0.0 0.698 104.7 45.5 -68.8 -18.7 4.6 -7.0 39.7 118 118 A K G X4 S+ 0 0 40 -3,-2.0 3,-1.7 -5,-0.1 -1,-0.2 0.513 80.1 127.1 -96.9 -8.3 1.6 -4.7 39.4 119 119 A Q T << S- 0 0 55 -3,-0.9 -8,-0.3 -4,-0.6 3,-0.1 -0.325 88.7 -10.7 -64.5 120.1 2.7 -2.2 42.1 120 120 A G T 3 S+ 0 0 3 -11,-1.2 -1,-0.3 -10,-0.5 2,-0.1 0.416 102.1 125.6 73.4 -0.8 2.6 1.3 40.7 121 121 A V < - 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0 0 1 -2,-0.8 3,-1.3 1,-0.1 4,-1.0 -0.789 16.2-174.6-129.0 82.4 11.6 4.9 21.3 206 206 A P H >> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.861 78.6 58.1 -55.0 -40.7 15.4 5.3 21.7 207 207 A A H 3> S+ 0 0 0 1,-0.3 4,-2.1 81,-0.2 5,-0.2 0.811 98.8 60.3 -60.3 -32.4 15.4 9.1 21.8 208 208 A F H <> S+ 0 0 0 -3,-1.3 4,-2.6 1,-0.2 -1,-0.3 0.907 103.8 50.9 -60.1 -41.1 13.1 9.1 24.9 209 209 A Y H X S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 4,-0.5 0.935 106.7 54.3 -55.2 -47.9 15.4 10.5 30.4 213 213 A A H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.865 108.2 48.9 -56.2 -39.2 19.2 10.2 30.9 214 214 A N H 3< S+ 0 0 86 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.525 111.3 51.3 -79.1 -7.3 19.6 14.0 30.6 215 215 A N H << S+ 0 0 6 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 0.296 90.7 82.5-117.1 7.6 16.8 14.6 33.1 216 216 A V << - 0 0 8 -3,-0.7 -43,-0.0 -4,-0.5 6,-0.0 -0.738 67.8-144.5-102.8 161.2 17.7 12.5 36.0 217 217 A T + 0 0 119 -2,-0.3 2,-0.1 5,-0.0 -1,-0.1 0.901 67.1 79.3 -98.5 -38.6 20.2 13.8 38.5 218 218 A N S > S- 0 0 69 1,-0.1 4,-2.1 4,-0.0 3,-0.2 -0.388 73.5-128.7 -84.6 146.5 22.4 10.9 39.7 219 219 A Q H > S+ 0 0 156 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.877 105.3 53.1 -57.6 -45.7 25.3 9.4 37.8 220 220 A A H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 111.9 45.6 -60.4 -42.7 24.2 5.7 38.0 221 221 A D H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.846 109.4 54.8 -73.4 -33.5 20.7 6.6 36.6 222 222 A K H X S+ 0 0 72 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.939 112.2 44.0 -60.9 -47.1 22.1 8.8 33.8 223 223 A N H X S+ 0 0 80 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.905 110.1 57.2 -64.9 -41.3 24.3 5.8 32.7 224 224 A Y H X S+ 0 0 30 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.940 109.8 42.9 -52.4 -52.9 21.4 3.4 33.0 225 225 A W H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.859 110.9 54.7 -70.8 -32.7 19.1 5.3 30.6 226 226 A R H X S+ 0 0 48 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.903 109.6 49.0 -64.0 -37.9 22.0 5.9 28.1 227 227 A Q H X S+ 0 0 88 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.891 107.7 53.1 -67.4 -38.6 22.5 2.2 28.0 228 228 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 109.0 52.0 -61.1 -41.0 18.8 1.5 27.5 229 229 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.948 112.0 43.8 -60.5 -49.6 19.0 4.0 24.5 230 230 A T H X S+ 0 0 86 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.926 114.5 49.4 -63.1 -44.4 21.9 2.1 23.0 231 231 A K H X S+ 0 0 86 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.815 109.2 53.4 -64.2 -30.5 20.3 -1.3 23.6 232 232 A S H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.925 108.3 48.1 -73.0 -42.5 17.1 -0.1 22.1 233 233 A R H X S+ 0 0 39 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.913 112.7 50.9 -62.3 -39.6 18.8 1.0 18.9 234 234 A T H X S+ 0 0 59 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.927 109.5 49.8 -62.3 -43.6 20.5 -2.4 18.8 235 235 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.940 114.3 44.3 -59.1 -50.0 17.2 -4.2 19.2 236 236 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.921 113.1 50.9 -64.7 -42.1 15.6 -2.2 16.4 237 237 A K H X S+ 0 0 87 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.933 113.8 45.4 -57.7 -46.9 18.7 -2.6 14.1 238 238 A N H X S+ 0 0 66 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.899 112.0 50.9 -65.6 -40.5 18.6 -6.4 14.8 239 239 A H H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.937 110.9 48.9 -62.3 -44.9 14.8 -6.6 14.2 240 240 A F H X S+ 0 0 20 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.859 110.2 51.2 -67.0 -34.1 15.1 -4.7 10.9 241 241 A T H >< S+ 0 0 107 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.937 111.7 48.5 -61.9 -45.4 18.0 -7.1 9.8 242 242 A K H 3< S+ 0 0 94 -4,-2.4 6,-0.3 1,-0.2 -2,-0.2 0.818 112.7 46.2 -68.9 -29.0 15.8 -10.1 10.7 243 243 A V H 3< S+ 0 0 0 -4,-2.1 7,-3.1 -5,-0.1 8,-0.3 0.504 86.6 114.4 -92.3 -1.2 12.7 -8.8 8.8 244 244 A S S << S- 0 0 47 -3,-0.8 4,-0.2 -4,-0.6 5,-0.1 -0.432 82.9 -22.8 -70.0 136.1 14.7 -7.8 5.7 245 245 A G S >> S+ 0 0 20 -2,-0.1 4,-2.7 3,-0.1 3,-0.5 -0.112 109.4 36.9 61.4-159.6 13.9 -9.8 2.5 246 246 A S T 34 S+ 0 0 88 1,-0.3 -2,-0.1 2,-0.2 86,-0.0 -0.452 114.4 11.5 -67.1 142.1 12.3 -13.2 2.8 247 247 A P T 34 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.998 134.4 31.5 -98.1 -5.2 10.3 -14.2 4.7 248 248 A H T X4 S- 0 0 19 -3,-0.5 3,-1.1 -6,-0.3 84,-0.5 0.636 86.4-142.8 -89.1 -13.3 9.1 -11.0 6.5 249 249 A W T 3< - 0 0 119 -4,-2.7 -5,-0.2 1,-0.2 -3,-0.1 0.843 58.8 -57.4 53.4 45.9 9.5 -8.7 3.5 250 250 A N T 3 S+ 0 0 23 -7,-3.1 -1,-0.2 -5,-0.5 -6,-0.2 0.449 102.4 115.4 79.3 7.7 10.7 -5.6 5.3 251 251 A L < - 0 0 7 -3,-1.1 -1,-0.2 -8,-0.3 80,-0.1 -0.904 62.6-124.5-107.7 135.9 7.9 -4.8 7.7 252 252 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 30,-0.1 -0.306 30.3-127.1 -70.3 164.3 8.5 -5.0 11.5 253 253 A T - 0 0 2 25,-0.1 25,-0.2 1,-0.1 -51,-0.2 -0.681 14.9-110.2-118.6 166.5 6.3 -7.3 13.6 254 254 A F S S+ 0 0 11 23,-2.3 -52,-0.3 20,-0.3 2,-0.3 0.916 99.6 26.7 -56.5 -52.2 4.0 -7.2 16.7 255 255 A L + 0 0 0 20,-2.2 8,-2.1 8,-0.3 2,-0.3 -0.904 64.9 178.7-125.1 147.1 6.3 -9.3 18.9 256 256 A S B -GH 199 262E 0 -57,-2.5 -57,-2.7 -2,-0.3 2,-0.1 -0.991 27.1-120.9-140.9 150.4 10.1 -9.9 19.1 257 257 A R > - 0 0 72 4,-2.7 3,-1.9 -2,-0.3 -59,-0.2 -0.354 47.1 -96.7 -77.2 169.1 12.6 -11.8 21.1 258 258 A L T 3 S+ 0 0 39 1,-0.3 -60,-0.1 2,-0.1 -1,-0.1 0.661 124.7 58.4 -71.1 -12.9 15.4 -9.8 22.8 259 259 A D T 3 S- 0 0 86 -62,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.312 124.7-101.0 -90.3 6.2 17.8 -10.6 19.9 260 260 A G S < S+ 0 0 0 -3,-1.9 -2,-0.1 1,-0.3 -18,-0.1 0.370 74.0 145.6 91.9 -3.9 15.3 -9.0 17.4 261 261 A S - 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