==== 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 29-OCT-04 1XW2 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR T.COLLINS,D.DE VOS,A.HOYOUX,S.N.SAVVIDES,C.GERDAY,J.VAN . 403 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 68.2 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 . 35 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 0 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 0 121 0, 0.0 23,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 147.7 11.5 20.7 -1.3 2 2 A F - 0 0 25 1,-0.1 2,-1.2 22,-0.1 356,-0.1 -0.395 360.0-128.7 -61.0 130.3 11.8 17.4 0.7 3 3 A N + 0 0 65 1,-0.1 -1,-0.1 -2,-0.1 352,-0.0 -0.740 29.6 177.2 -82.2 98.0 15.1 17.1 2.5 4 4 A N S S+ 0 0 81 -2,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.293 71.1 66.7 -85.7 9.7 16.2 13.6 1.3 5 5 A N S S- 0 0 115 0, 0.0 -1,-0.2 0, 0.0 351,-0.1 -0.562 76.7-167.4-126.8 66.2 19.5 14.0 3.2 6 6 A P - 0 0 7 0, 0.0 -2,-0.0 0, 0.0 288,-0.0 -0.278 29.5-101.0 -61.9 139.3 18.4 14.1 6.9 7 7 A S - 0 0 71 2,-0.1 291,-2.8 1,-0.1 4,-0.1 -0.235 9.4-141.4 -63.9 144.6 21.1 15.2 9.3 8 8 A S S S+ 0 0 74 289,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.540 90.9 79.6 -76.8 -10.4 23.2 12.8 11.4 9 9 A V S S- 0 0 79 288,-0.1 288,-0.3 4,-0.0 -2,-0.1 -0.893 85.2-132.2 -98.6 125.1 22.9 15.5 14.1 10 10 A G > - 0 0 2 286,-0.6 4,-2.5 -2,-0.5 3,-0.5 -0.289 15.3-117.3 -78.5 160.4 19.5 15.4 15.8 11 11 A A H > S+ 0 0 3 283,-2.7 4,-2.4 1,-0.2 284,-0.2 0.799 114.1 63.5 -60.7 -31.9 17.2 18.3 16.6 12 12 A Y H 4 S+ 0 0 30 283,-2.3 -1,-0.2 2,-0.2 284,-0.1 0.893 112.1 35.5 -60.8 -40.2 17.7 17.5 20.4 13 13 A S H 4 S+ 0 0 90 282,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.922 127.2 34.2 -77.9 -49.3 21.4 18.4 20.0 14 14 A S H < S- 0 0 60 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.749 92.4-131.6 -82.8 -27.1 21.2 21.2 17.4 15 15 A G < + 0 0 54 -4,-2.4 2,-0.8 -5,-0.3 -4,-0.1 0.424 67.8 127.5 82.3 0.4 17.9 22.9 18.4 16 16 A T - 0 0 105 -6,-0.3 2,-0.5 -5,-0.0 -1,-0.2 -0.821 41.6-167.6 -94.3 107.6 17.0 22.8 14.7 17 17 A Y - 0 0 46 -2,-0.8 2,-0.1 -3,-0.1 278,-0.1 -0.821 17.3-128.5 -97.0 130.4 13.6 21.1 14.2 18 18 A R - 0 0 32 -2,-0.5 2,-0.5 276,-0.1 3,-0.1 -0.445 6.4-150.6 -68.1 146.7 12.5 20.2 10.7 19 19 A N > - 0 0 26 1,-0.1 4,-2.3 375,-0.1 3,-0.3 -0.886 15.4-176.4-115.4 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 0.882 80.6 54.1 -60.0 -41.9 8.2 18.5 7.1 21 21 A A H 4>S+ 0 0 0 372,-3.0 5,-2.6 1,-0.2 -1,-0.2 0.866 109.7 49.2 -60.3 -37.0 4.9 20.0 5.9 22 22 A Q H >45S+ 0 0 131 371,-0.3 3,-2.0 -3,-0.3 -2,-0.2 0.913 107.7 53.0 -67.8 -45.6 6.9 23.2 5.0 23 23 A E H 3<5S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.872 107.1 54.8 -53.5 -37.9 9.5 21.2 3.1 24 24 A M T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.329 121.0-110.1 -82.7 6.3 6.6 19.7 1.2 25 25 A G T < 5 + 0 0 59 -3,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.673 64.1 153.7 76.9 19.8 5.3 23.1 0.2 26 26 A K < - 0 0 60 -5,-2.6 2,-0.2 -6,-0.1 3,-0.2 -0.461 28.3-150.4 -81.4 153.3 2.2 23.1 2.4 27 27 A T S S+ 0 0 108 1,-0.2 -1,-0.0 -2,-0.1 -5,-0.0 -0.754 70.7 29.0-118.4 167.9 0.5 26.3 3.7 28 28 A N S > S+ 0 0 126 -2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.851 72.8 153.5 49.5 41.1 -1.5 27.1 6.8 29 29 A I H > + 0 0 14 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.940 66.6 45.2 -64.9 -51.9 0.4 24.4 8.6 30 30 A Q H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.887 110.2 55.5 -65.1 -38.3 0.1 25.8 12.2 31 31 A Q H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.912 109.2 48.0 -56.0 -44.4 -3.6 26.5 11.7 32 32 A K H X S+ 0 0 46 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.882 111.7 49.3 -65.8 -41.7 -4.1 22.8 10.7 33 33 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.928 113.4 47.3 -59.2 -48.5 -2.1 21.6 13.8 34 34 A N H X S+ 0 0 74 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.900 111.9 48.6 -62.7 -44.7 -4.1 23.9 16.0 35 35 A S H X S+ 0 0 46 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.870 107.3 57.1 -64.5 -37.7 -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 0.947 111.8 41.3 -58.1 -50.0 -6.5 19.2 15.0 37 37 A F H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.953 113.8 53.1 -61.7 -49.1 -5.9 19.7 18.7 38 38 A D H < S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.865 112.7 43.7 -56.3 -40.9 -9.0 21.9 19.1 39 39 A N H >< S+ 0 0 57 -4,-2.7 3,-0.9 1,-0.2 5,-0.3 0.857 114.7 48.0 -74.6 -37.6 -11.3 19.3 17.5 40 40 A M H 3< S+ 0 0 4 -4,-2.1 9,-2.8 -5,-0.3 10,-1.8 0.870 121.3 38.0 -67.6 -35.6 -9.8 16.3 19.3 41 41 A F T 3< S+ 0 0 14 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 -0.226 101.7 94.8-110.1 37.8 -10.0 18.2 22.6 42 42 A G S < S- 0 0 18 -3,-0.9 2,-2.0 -5,-0.0 3,-0.4 -0.938 83.8-110.8-128.7 154.5 -13.4 19.9 22.0 43 43 A Y S S+ 0 0 151 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.427 79.4 113.8 -86.7 67.4 -16.9 18.9 23.0 44 44 A N - 0 0 51 -2,-2.0 -1,-0.2 -5,-0.3 -4,-0.1 0.486 67.0-141.7-114.0 -8.5 -18.1 18.1 19.5 45 45 A N S S+ 0 0 110 -3,-0.4 -2,-0.1 1,-0.1 330,-0.0 0.683 85.5 83.4 48.4 24.2 -18.6 14.3 19.6 46 46 A T S S- 0 0 66 -7,-0.2 330,-0.6 329,-0.1 -1,-0.1 0.748 112.0 -2.3-115.9 -73.8 -17.2 14.3 16.1 47 47 A Q S S+ 0 0 41 -8,-0.2 -8,-0.1 328,-0.2 -4,-0.1 0.593 104.2 129.8 -88.8 -17.8 -13.4 14.2 16.1 48 48 A Q + 0 0 8 1,-0.1 -8,-0.2 -6,-0.1 -7,-0.2 -0.020 20.0 155.5 -49.3 131.1 -13.5 14.4 19.9 49 49 A L + 0 0 1 -9,-2.8 16,-2.6 1,-0.1 2,-0.6 0.453 54.6 87.0-123.6 -14.3 -11.5 12.0 21.9 50 50 A Y E +A 64 0A 12 -10,-1.8 14,-0.2 14,-0.2 -1,-0.1 -0.820 57.6 174.7 -98.7 112.7 -11.1 14.0 25.2 51 51 A Y E -A 63 0A 20 12,-2.9 12,-2.7 -2,-0.6 2,-0.1 -0.942 28.8-120.4-125.6 139.8 -14.0 13.5 27.6 52 52 A P E -A 62 0A 48 0, 0.0 2,-0.5 0, 0.0 10,-0.3 -0.483 20.0-147.4 -74.0 146.0 -14.8 14.7 31.1 53 53 A Y E +A 61 0A 4 8,-3.4 7,-2.3 -2,-0.1 8,-1.3 -0.982 20.4 179.6-114.3 124.3 -15.4 12.1 33.9 54 54 A T E -A 59 0A 71 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.889 18.7-152.4-121.3 154.2 -17.8 13.1 36.6 55 55 A E E > S-A 58 0A 49 3,-2.5 3,-2.0 -2,-0.3 77,-0.1 -0.982 82.1 -20.1-128.1 118.8 -19.1 11.2 39.7 56 56 A N T 3 S- 0 0 144 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.865 129.4 -50.5 49.0 42.8 -22.6 12.1 41.0 57 57 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.359 113.2 121.8 82.0 -3.4 -22.4 15.4 39.1 58 58 A V E < -A 55 0A 80 -3,-2.0 -3,-2.5 1,-0.0 -1,-0.2 -0.818 65.2-123.5 -96.4 123.6 -19.0 16.3 40.5 59 59 A Y E +A 54 0A 92 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.422 39.0 162.5 -64.7 136.2 -16.3 16.9 38.0 60 60 A K E - 0 0 76 -7,-2.3 2,-0.2 1,-0.4 -6,-0.2 0.727 50.2 -50.5-117.4 -62.7 -13.2 14.7 38.5 61 61 A A E -A 53 0A 0 -8,-1.3 -8,-3.4 40,-0.1 -1,-0.4 -0.857 50.4 -96.8-164.2-171.8 -10.9 14.5 35.6 62 62 A H E -A 52 0A 5 36,-2.2 40,-0.3 -10,-0.3 2,-0.3 -0.913 27.1-168.8-126.4 155.1 -10.7 13.8 31.8 63 63 A Y E -A 51 0A 15 -12,-2.7 -12,-2.9 -2,-0.3 2,-0.6 -0.964 29.5-114.8-138.6 159.1 -9.9 10.7 29.7 64 64 A I E -A 50 0A 0 -2,-0.3 2,-0.6 12,-0.2 12,-0.6 -0.855 40.4-135.7 -88.9 119.8 -9.1 9.8 26.1 65 65 A K E -B 75 0B 38 -16,-2.6 2,-1.7 -2,-0.6 10,-0.2 -0.712 5.9-149.4 -87.0 118.9 -12.0 7.6 25.1 66 66 A A E -B 74 0B 2 8,-2.6 8,-2.0 -2,-0.6 -1,-0.1 -0.644 23.4-150.7 -84.4 80.9 -11.1 4.4 23.2 67 67 A I + 0 0 22 -2,-1.7 313,-0.3 6,-0.2 314,-0.2 -0.320 21.3 176.1 -57.8 130.9 -14.4 4.3 21.2 68 68 A N > - 0 0 20 1,-0.1 4,-1.5 312,-0.1 310,-0.1 -0.830 19.6-176.5-147.7 99.2 -15.2 0.6 20.4 69 69 A P T 4 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.700 86.6 46.6 -71.7 -20.4 -18.4 -0.3 18.6 70 70 A D T 4 S+ 0 0 122 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.883 128.1 17.5 -88.8 -43.6 -17.7 -4.0 18.8 71 71 A E T 4 S- 0 0 129 1,-0.2 -1,-0.1 3,-0.0 2,-0.0 0.394 115.2 -92.3-114.5 -0.6 -16.7 -4.5 22.5 72 72 A G < - 0 0 33 -4,-1.5 -1,-0.2 2,-0.0 -2,-0.1 0.213 53.7 -65.2 94.2 141.1 -17.9 -1.4 24.2 73 73 A D + 0 0 75 -4,-0.1 55,-0.3 -6,-0.1 2,-0.2 -0.267 60.6 172.5 -57.0 139.0 -16.0 1.9 24.7 74 74 A D E -B 66 0B 2 -8,-2.0 -8,-2.6 53,-0.1 2,-0.4 -0.748 29.8-114.0-136.1-171.5 -13.0 1.6 27.1 75 75 A I E -BC 65 126B 3 51,-2.5 51,-2.6 -2,-0.2 2,-0.3 -0.997 29.0-166.1-134.5 127.9 -10.1 3.7 28.3 76 76 A R E > - C 0 125B 56 -12,-0.6 4,-1.9 -2,-0.4 -12,-0.2 -0.850 28.1-135.1-122.7 148.9 -6.5 2.9 27.6 77 77 A T H > S+ 0 0 1 47,-0.8 4,-2.8 -2,-0.3 5,-0.2 0.847 106.1 57.3 -69.5 -33.9 -3.1 4.1 28.9 78 78 A Q H > S+ 0 0 23 46,-0.2 4,-2.7 2,-0.2 5,-0.2 0.976 110.4 42.6 -57.7 -54.9 -1.7 4.4 25.4 79 79 A G H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.873 115.4 50.5 -59.8 -40.1 -4.4 6.9 24.4 80 80 A Q H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.935 113.5 44.0 -63.0 -48.6 -4.2 8.7 27.7 81 81 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.868 113.3 50.7 -68.1 -38.8 -0.4 9.1 27.6 82 82 A W H X S+ 0 0 3 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.886 108.7 53.8 -63.6 -38.6 -0.4 10.2 23.9 83 83 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.901 108.9 47.4 -62.6 -43.8 -3.1 12.7 24.8 84 84 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.872 110.2 53.7 -63.0 -39.5 -0.9 14.2 27.5 85 85 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.935 109.4 47.6 -61.6 -46.2 2.0 14.3 25.1 86 86 A A H X S+ 0 0 1 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.925 111.4 51.6 -59.7 -46.7 -0.0 16.2 22.5 87 87 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 3,-0.6 0.922 108.9 48.4 -58.5 -48.2 -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 0.878 107.2 56.8 -64.3 -34.9 2.3 19.5 26.5 89 89 A M H 3<5S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 113.6 39.7 -64.3 -30.0 3.7 20.1 22.9 90 90 A L T <<5S- 0 0 24 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.261 115.9-111.1-105.0 11.3 1.0 22.7 22.3 91 91 A N T < 5 + 0 0 87 -3,-1.1 2,-1.0 -4,-0.3 -3,-0.2 0.864 63.5 152.6 64.0 40.0 1.2 24.3 25.8 92 92 A K >< + 0 0 59 -5,-2.9 4,-2.1 1,-0.2 -1,-0.2 -0.718 11.4 168.6-104.3 83.9 -2.3 23.1 26.8 93 93 A Q H > + 0 0 78 -2,-1.0 4,-3.1 2,-0.2 5,-0.2 0.871 69.4 49.6 -72.4 -43.7 -2.0 22.8 30.5 94 94 A E H > S+ 0 0 124 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.933 113.1 48.9 -61.2 -45.0 -5.6 22.3 31.7 95 95 A E H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.929 114.0 47.2 -58.2 -46.9 -6.0 19.5 29.2 96 96 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.948 113.4 46.9 -56.6 -53.7 -2.8 17.9 30.3 97 97 A D H X S+ 0 0 8 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.870 110.1 52.8 -60.9 -40.8 -3.6 18.2 34.0 98 98 A N H X S+ 0 0 13 -4,-2.7 -36,-2.2 -5,-0.2 4,-1.4 0.880 113.6 43.7 -64.5 -38.6 -7.1 16.8 33.6 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.915 114.8 48.4 -71.1 -44.8 -5.7 13.7 31.8 100 100 A W H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.910 107.8 55.3 -64.9 -40.5 -2.9 13.3 34.2 101 101 A R H X S+ 0 0 54 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.912 109.9 47.8 -55.5 -43.8 -5.3 13.6 37.2 102 102 A F H X>S+ 0 0 0 -4,-1.4 4,-2.9 -40,-0.3 5,-0.8 0.926 112.2 48.2 -62.7 -48.1 -7.3 10.7 35.7 103 103 A A H X>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 4,-1.4 0.937 114.0 45.6 -59.4 -50.7 -4.3 8.5 35.1 104 104 A K H <5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 121.0 38.7 -62.4 -38.5 -2.9 8.9 38.6 105 105 A A H <5S+ 0 0 59 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.890 133.5 15.0 -78.4 -41.8 -6.2 8.4 40.3 106 106 A Y H <5S+ 0 0 46 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.714 124.9 44.5-116.4 -30.1 -7.8 5.7 38.3 107 107 A Q T < - 0 0 58 0, 0.0 3,-1.7 0, 0.0 10,-0.5 -0.155 24.4-125.9 -55.6 145.6 -1.7 0.8 44.1 111 111 A D T 3 S+ 0 0 95 1,-0.3 8,-0.1 8,-0.3 -2,-0.0 0.679 112.7 50.2 -65.3 -18.7 1.9 0.7 45.3 112 112 A N T 3 S+ 0 0 136 6,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.045 76.9 149.6-109.0 24.2 0.9 -1.9 47.8 113 113 A H < - 0 0 17 -3,-1.7 6,-0.2 1,-0.1 5,-0.1 -0.304 57.8-121.4 -50.7 135.7 -0.9 -4.2 45.3 114 114 A P S S+ 0 0 130 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.799 103.0 70.4 -54.7 -30.5 -0.6 -7.8 46.6 115 115 A D S >> S- 0 0 51 1,-0.2 3,-1.9 2,-0.0 4,-0.7 -0.820 74.6-157.0 -90.4 110.1 1.1 -8.7 43.2 116 116 A A G >4 S+ 0 0 53 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.810 90.1 63.4 -57.5 -30.0 4.5 -7.0 43.3 117 117 A K G 34 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.1 77,-0.0 0.672 105.1 45.3 -71.3 -17.4 4.7 -7.0 39.5 118 118 A K G X4 S+ 0 0 40 -3,-1.9 3,-1.6 -5,-0.1 -9,-0.2 0.529 80.2 125.5 -99.4 -9.8 1.6 -4.7 39.3 119 119 A Q T << S- 0 0 54 -3,-0.7 -8,-0.3 -4,-0.7 3,-0.1 -0.322 89.3 -9.2 -62.1 118.1 2.7 -2.2 42.0 120 120 A G T 3 S+ 0 0 1 -11,-1.2 -1,-0.3 -10,-0.5 -9,-0.1 0.361 102.5 124.7 78.9 -6.2 2.7 1.3 40.5 121 121 A V < - 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