==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-05 2B4F . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR D.DE VOS,T.COLLINS,S.N.SAVVIDES,G.FELLER,J.J.VAN BEEUMEN . 403 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 70.0 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 . 39 9.7 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 . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.7 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 . 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 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 0 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 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 0 119 0, 0.0 23,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 151.3 11.3 20.7 -0.5 2 2 A F - 0 0 24 1,-0.1 2,-1.1 22,-0.1 356,-0.1 -0.337 360.0-129.6 -58.6 128.6 11.7 17.4 1.4 3 3 A N + 0 0 68 1,-0.1 -1,-0.1 -2,-0.1 352,-0.1 -0.737 28.9 177.8 -80.1 97.9 15.1 17.1 3.2 4 4 A N S S+ 0 0 84 -2,-1.1 -1,-0.1 1,-0.2 -2,-0.1 0.269 70.3 66.5 -85.0 12.8 16.2 13.6 2.0 5 5 A N S S- 0 0 115 2,-0.0 -1,-0.2 0, 0.0 351,-0.1 -0.538 75.6-167.3-130.6 64.0 19.5 14.0 4.0 6 6 A P - 0 0 7 0, 0.0 4,-0.1 0, 0.0 2,-0.0 -0.270 29.2-103.9 -62.1 140.9 18.5 14.0 7.6 7 7 A S - 0 0 70 2,-0.2 291,-2.3 1,-0.1 4,-0.1 -0.296 8.3-138.4 -70.8 146.0 21.2 15.0 9.9 8 8 A S S S+ 0 0 74 289,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.522 92.3 78.3 -78.7 -8.9 23.2 12.6 12.1 9 9 A V S S- 0 0 79 288,-0.1 288,-0.3 4,-0.0 -2,-0.2 -0.923 84.1-134.9-101.3 124.9 22.8 15.2 14.8 10 10 A G >> - 0 0 1 286,-0.5 4,-2.3 -2,-0.5 3,-0.8 -0.306 17.3-114.5 -80.1 162.0 19.4 15.2 16.5 11 11 A A H 3> S+ 0 0 3 283,-2.5 4,-2.4 1,-0.2 284,-0.2 0.758 113.5 65.5 -62.7 -28.3 17.2 18.2 17.3 12 12 A Y H 34 S+ 0 0 28 283,-2.0 -1,-0.2 282,-0.2 284,-0.1 0.856 111.5 34.6 -65.0 -35.6 17.6 17.4 21.0 13 13 A S H <4 S+ 0 0 91 -3,-0.8 -2,-0.2 282,-0.5 -1,-0.1 0.928 128.3 34.7 -80.7 -51.9 21.4 18.3 20.7 14 14 A S H < S- 0 0 62 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.690 93.4-132.4 -77.5 -22.3 21.2 21.1 18.1 15 15 A G < + 0 0 56 -4,-2.4 2,-0.8 -5,-0.2 -4,-0.1 0.448 67.3 127.9 74.5 2.5 17.8 22.7 19.2 16 16 A T - 0 0 101 -6,-0.2 2,-0.5 -5,-0.0 -1,-0.2 -0.808 41.1-168.2 -97.2 106.8 16.9 22.6 15.5 17 17 A Y - 0 0 45 -2,-0.8 2,-0.1 378,-0.1 381,-0.0 -0.792 17.3-129.3 -98.0 127.4 13.5 21.0 14.9 18 18 A R - 0 0 33 -2,-0.5 2,-0.5 276,-0.1 377,-0.2 -0.411 6.3-150.7 -63.2 145.5 12.4 20.0 11.4 19 19 A N > - 0 0 26 375,-0.1 4,-2.3 1,-0.1 375,-0.2 -0.921 15.0-175.7-116.9 95.4 9.0 21.1 10.2 20 20 A L H > S+ 0 0 0 -2,-0.5 4,-1.8 372,-0.3 374,-0.2 0.864 80.8 54.6 -65.4 -38.6 8.2 18.4 7.7 21 21 A A H 4>S+ 0 0 0 372,-2.9 5,-2.4 2,-0.2 -1,-0.2 0.882 109.7 48.7 -62.3 -38.2 4.9 19.9 6.6 22 22 A Q H >45S+ 0 0 132 371,-0.3 3,-2.0 1,-0.2 -2,-0.2 0.924 108.0 53.7 -65.3 -47.2 6.8 23.1 5.7 23 23 A E H 3<5S+ 0 0 32 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.4 53.2 -52.5 -37.9 9.4 21.1 3.8 24 24 A M T 3<5S- 0 0 34 -4,-1.8 -1,-0.3 -23,-0.2 -2,-0.2 0.314 121.0-108.7 -87.5 6.7 6.6 19.6 1.8 25 25 A G T < 5 + 0 0 61 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.698 64.5 151.7 82.0 22.1 5.2 23.0 0.9 26 26 A K < - 0 0 56 -5,-2.4 2,-0.2 1,-0.0 3,-0.2 -0.526 29.3-149.4 -86.5 154.8 2.0 23.0 3.0 27 27 A T S S+ 0 0 120 1,-0.2 -1,-0.0 -2,-0.2 -5,-0.0 -0.754 71.3 30.7-118.5 166.6 0.4 26.2 4.4 28 28 A N S > S+ 0 0 69 -2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.866 72.6 154.2 54.7 40.7 -1.6 27.0 7.5 29 29 A I H > + 0 0 16 -3,-0.2 4,-2.0 2,-0.2 3,-0.2 0.959 66.5 44.2 -64.6 -55.0 0.4 24.3 9.3 30 30 A Q H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 111.2 54.9 -64.2 -36.0 0.1 25.6 12.9 31 31 A Q H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 108.3 49.4 -60.7 -40.5 -3.7 26.3 12.4 32 32 A K H X S+ 0 0 47 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.889 111.0 49.3 -66.8 -39.0 -4.2 22.7 11.4 33 33 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 112.7 48.9 -62.3 -46.1 -2.2 21.4 14.4 34 34 A N H X S+ 0 0 75 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.896 110.9 47.7 -63.9 -43.6 -4.3 23.7 16.7 35 35 A S H X S+ 0 0 48 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.820 107.6 58.2 -68.9 -29.5 -7.7 22.7 15.3 36 36 A T H X S+ 0 0 2 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.982 112.2 39.7 -63.1 -51.5 -6.6 19.0 15.6 37 37 A F H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.944 115.4 51.7 -58.7 -51.0 -6.1 19.5 19.3 38 38 A D H < S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.856 113.4 44.7 -57.8 -39.4 -9.2 21.7 19.8 39 39 A N H < S+ 0 0 55 -4,-2.4 3,-0.5 2,-0.2 5,-0.3 0.861 114.4 47.7 -72.6 -40.3 -11.4 19.1 18.0 40 40 A M H < S+ 0 0 4 -4,-2.2 9,-3.0 -5,-0.3 10,-1.6 0.859 122.2 36.0 -68.7 -34.6 -9.9 16.1 19.9 41 41 A F S < S+ 0 0 12 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.257 101.6 97.1-103.2 9.2 -10.2 17.9 23.3 42 42 A G S S- 0 0 20 -3,-0.5 2,-1.8 -5,-0.2 3,-0.4 -0.688 83.3-111.7-101.5 156.0 -13.5 19.8 22.5 43 43 A Y S S+ 0 0 145 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.492 78.3 115.2 -86.4 71.0 -17.0 18.8 23.5 44 44 A N - 0 0 53 -2,-1.8 -1,-0.2 -5,-0.3 -4,-0.1 0.483 67.4-138.9-117.2 -8.3 -18.2 18.0 20.0 45 45 A N S S+ 0 0 73 -3,-0.4 331,-0.1 1,-0.1 -2,-0.1 0.697 87.3 80.8 51.4 25.2 -18.9 14.2 20.0 46 46 A T S S- 0 0 63 -7,-0.2 330,-0.7 329,-0.1 -1,-0.1 0.685 112.7 -1.6-121.1 -75.7 -17.4 14.1 16.5 47 47 A Q S S+ 0 0 41 -8,-0.2 -8,-0.1 328,-0.2 -7,-0.1 0.623 102.9 130.3 -87.0 -18.8 -13.5 14.1 16.7 48 48 A Q + 0 0 10 1,-0.1 -8,-0.2 -6,-0.1 -7,-0.2 -0.005 20.1 156.1 -45.9 130.2 -13.7 14.3 20.5 49 49 A L + 0 0 1 -9,-3.0 16,-2.5 -10,-0.1 2,-0.6 0.453 52.7 88.2-123.0 -11.5 -11.7 11.8 22.6 50 50 A Y E +A 64 0A 11 -10,-1.6 14,-0.2 14,-0.2 -1,-0.1 -0.831 55.3 174.2 -99.1 115.2 -11.4 13.8 25.9 51 51 A Y E -A 63 0A 35 12,-2.8 12,-2.7 -2,-0.6 2,-0.1 -0.956 29.1-118.6-127.8 140.7 -14.3 13.3 28.3 52 52 A P E -A 62 0A 49 0, 0.0 2,-0.5 0, 0.0 10,-0.3 -0.477 19.2-147.6 -73.5 147.6 -15.0 14.4 31.8 53 53 A Y E +A 61 0A 4 8,-3.3 7,-2.5 -2,-0.1 8,-1.6 -0.986 22.0 177.5-113.9 123.8 -15.4 11.8 34.6 54 54 A T E -A 59 0A 70 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.907 19.1-153.5-123.8 152.7 -17.9 12.8 37.4 55 55 A E E > S-A 58 0A 48 3,-2.3 3,-1.7 -2,-0.3 77,-0.1 -0.986 82.0 -17.3-129.3 118.4 -19.1 10.9 40.5 56 56 A N T 3 S- 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.873 129.5 -51.3 52.5 42.6 -22.5 11.8 41.9 57 57 A G T 3 S+ 0 0 74 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.456 112.7 122.2 78.9 1.4 -22.5 15.1 39.9 58 58 A V E < -A 55 0A 78 -3,-1.7 -3,-2.3 1,-0.0 -1,-0.2 -0.867 64.7-125.2-103.0 120.9 -19.1 16.1 41.2 59 59 A Y E +A 54 0A 94 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.394 38.2 162.8 -63.1 134.2 -16.4 16.7 38.6 60 60 A K E - 0 0 76 -7,-2.5 2,-0.2 1,-0.4 -6,-0.2 0.730 50.6 -48.2-116.1 -59.9 -13.3 14.6 39.2 61 61 A A E -A 53 0A 0 -8,-1.6 -8,-3.3 40,-0.1 -1,-0.4 -0.875 50.3 -98.6-166.0-174.5 -11.0 14.4 36.2 62 62 A H E -A 52 0A 8 36,-1.8 40,-0.3 -10,-0.3 2,-0.3 -0.910 27.1-169.9-125.7 155.4 -10.8 13.7 32.4 63 63 A Y E -A 51 0A 14 -12,-2.7 -12,-2.8 -2,-0.3 2,-0.6 -0.943 30.1-113.8-138.0 163.3 -10.0 10.6 30.3 64 64 A I E -A 50 0A 0 -2,-0.3 2,-0.6 -14,-0.2 12,-0.5 -0.893 39.3-137.4 -93.1 121.6 -9.3 9.7 26.8 65 65 A K E -B 75 0B 41 -16,-2.5 2,-1.7 -2,-0.6 10,-0.2 -0.737 5.0-149.4 -89.9 118.6 -12.2 7.4 25.8 66 66 A A E -B 74 0B 3 8,-2.6 8,-1.7 -2,-0.6 -1,-0.1 -0.630 25.5-149.9 -83.8 79.8 -11.2 4.3 23.8 67 67 A I + 0 0 25 -2,-1.7 313,-0.3 6,-0.2 314,-0.2 -0.260 22.5 175.5 -56.3 133.6 -14.5 4.2 21.9 68 68 A N > - 0 0 35 1,-0.1 4,-1.5 312,-0.1 310,-0.1 -0.795 20.5-179.2-152.1 101.0 -15.3 0.6 21.1 69 69 A P T 4 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.896 85.8 48.1 -71.1 -40.8 -18.6 -0.5 19.4 70 70 A D T 4 S+ 0 0 96 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.917 129.3 16.7 -63.3 -50.7 -17.8 -4.2 19.3 71 71 A E T 4 S- 0 0 61 1,-0.2 -1,-0.2 3,-0.0 2,-0.0 0.363 115.7 -91.5-111.3 1.0 -16.6 -4.7 22.9 72 72 A G < - 0 0 31 -4,-1.5 -1,-0.2 2,-0.0 -2,-0.1 0.234 52.8 -68.3 90.8 142.1 -17.8 -1.6 24.8 73 73 A D + 0 0 76 -4,-0.1 55,-0.3 -6,-0.1 2,-0.2 -0.371 59.5 174.3 -62.0 137.6 -16.0 1.6 25.4 74 74 A D E -B 66 0B 2 -8,-1.7 -8,-2.6 53,-0.1 2,-0.4 -0.742 28.9-117.9-134.8-176.7 -13.0 1.4 27.7 75 75 A I E -BC 65 126B 3 51,-2.3 51,-2.6 -2,-0.2 2,-0.3 -0.998 28.4-165.0-132.1 128.2 -10.2 3.6 29.0 76 76 A R E > - C 0 125B 63 -12,-0.5 4,-1.9 -2,-0.4 -12,-0.2 -0.868 26.7-132.9-123.4 146.8 -6.5 2.8 28.3 77 77 A T H > S+ 0 0 1 47,-1.1 4,-2.8 -2,-0.3 5,-0.2 0.895 106.8 53.6 -66.0 -39.6 -3.2 3.9 29.7 78 78 A E H > S+ 0 0 24 46,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 109.9 47.1 -61.2 -45.2 -1.6 4.5 26.3 79 79 A G H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 114.4 48.3 -59.0 -41.8 -4.5 6.7 25.2 80 80 A Q H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.921 113.9 45.3 -65.1 -46.2 -4.3 8.7 28.4 81 81 A S H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.830 111.9 51.6 -72.9 -34.8 -0.5 9.1 28.3 82 82 A W H X S+ 0 0 6 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.880 107.8 53.6 -64.2 -42.0 -0.5 10.1 24.7 83 83 A G H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.884 108.5 48.7 -57.9 -42.6 -3.2 12.7 25.5 84 84 A M H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.874 110.3 52.4 -64.2 -39.0 -1.0 14.2 28.2 85 85 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.913 109.1 48.5 -64.9 -43.4 1.9 14.2 25.7 86 86 A A H X S+ 0 0 1 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.928 111.6 51.3 -61.5 -44.8 -0.1 16.1 23.1 87 87 A A H <>S+ 0 0 0 -4,-2.2 5,-3.1 1,-0.2 3,-0.4 0.894 108.7 48.8 -61.8 -44.1 -1.2 18.6 25.8 88 88 A V H ><5S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.898 107.0 56.7 -68.7 -33.9 2.3 19.4 27.1 89 89 A M H 3<5S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.803 113.9 39.4 -65.9 -27.4 3.6 19.9 23.5 90 90 A L T 3<5S- 0 0 25 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.255 115.9-110.9-106.1 12.9 1.0 22.6 22.9 91 91 A N T < 5 + 0 0 87 -3,-1.2 2,-0.9 -4,-0.2 -3,-0.2 0.895 63.3 153.3 62.9 42.5 1.1 24.2 26.4 92 92 A K >< + 0 0 66 -5,-3.1 4,-1.8 1,-0.2 -1,-0.2 -0.754 10.9 168.3-106.2 85.9 -2.3 22.9 27.3 93 93 A Q H > + 0 0 79 -2,-0.9 4,-2.6 2,-0.2 5,-0.2 0.872 67.9 50.8 -77.1 -41.3 -2.0 22.7 31.1 94 94 A E H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 112.6 48.3 -62.8 -43.4 -5.6 22.2 32.3 95 95 A E H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 112.9 49.6 -61.2 -45.8 -6.1 19.3 29.8 96 96 A F H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.939 112.9 45.7 -52.9 -53.7 -2.8 17.8 31.0 97 97 A D H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.857 110.3 52.8 -65.6 -39.3 -3.7 18.1 34.7 98 98 A N H X S+ 0 0 17 -4,-2.5 -36,-1.8 2,-0.2 4,-1.3 0.896 113.8 43.9 -65.4 -39.4 -7.2 16.7 34.3 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.910 115.3 47.8 -68.0 -45.4 -5.8 13.6 32.4 100 100 A W H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.925 108.2 55.2 -65.4 -40.5 -3.0 13.2 35.0 101 101 A R H X S+ 0 0 54 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.897 109.8 47.6 -54.9 -42.7 -5.4 13.5 37.9 102 102 A F H X>S+ 0 0 0 -4,-1.3 4,-3.0 -40,-0.3 5,-0.7 0.908 111.8 49.2 -65.9 -45.7 -7.5 10.7 36.5 103 103 A A H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-1.7 0.953 112.5 46.4 -61.3 -51.1 -4.5 8.4 35.9 104 104 A K H <5S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 121.6 37.8 -61.0 -38.4 -3.0 8.9 39.4 105 105 A A H <5S+ 0 0 56 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.896 132.6 17.1 -78.6 -45.0 -6.4 8.3 41.0 106 106 A Y H <5S+ 0 0 45 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.676 126.4 42.1-113.5 -24.5 -8.1 5.6 38.9 107 107 A Q T < - 0 0 64 0, 0.0 3,-1.8 0, 0.0 10,-0.5 -0.180 24.6-126.5 -54.9 145.1 -1.8 0.7 45.0 111 111 A D T 3 S+ 0 0 93 1,-0.3 8,-0.1 8,-0.3 -2,-0.0 0.677 112.6 51.8 -65.0 -16.3 1.9 0.5 46.1 112 112 A N T 3 S+ 0 0 134 6,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.092 76.5 148.1-108.5 19.5 0.8 -2.2 48.6 113 113 A H < - 0 0 18 -3,-1.8 6,-0.2 1,-0.1 5,-0.1 -0.275 57.8-122.7 -50.2 135.5 -1.1 -4.4 46.1 114 114 A P S S+ 0 0 131 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.804 102.0 70.6 -54.5 -32.9 -0.8 -8.0 47.2 115 115 A D S >> S- 0 0 50 1,-0.2 3,-1.7 2,-0.0 4,-0.6 -0.812 75.7-156.0 -87.1 112.1 0.8 -8.9 43.8 116 116 A A G >4 S+ 0 0 53 -2,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.786 90.6 62.7 -61.4 -27.2 4.3 -7.2 43.9 117 117 A K G 34 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.1 77,-0.0 0.674 105.2 45.8 -71.5 -18.9 4.3 -7.1 40.1 118 118 A K G X4 S+ 0 0 38 -3,-1.7 3,-1.6 -5,-0.1 -9,-0.2 0.488 80.3 125.6 -98.0 -8.3 1.3 -4.8 40.0 119 119 A Q T << S- 0 0 60 -3,-0.6 -8,-0.3 -4,-0.6 3,-0.1 -0.351 90.5 -11.2 -65.2 119.6 2.5 -2.4 42.8 120 120 A G T 3 S+ 0 0 2 -11,-1.0 -1,-0.3 -10,-0.5 -9,-0.1 0.410 103.6 125.1 73.5 -0.7 2.5 1.1 41.4 121 121 A V < - 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0 0 121 -4,-3.1 -5,-0.2 1,-0.2 -3,-0.1 0.858 58.2 -56.3 56.3 46.3 9.5 -8.7 3.9 250 250 A N T 3 S+ 0 0 23 -7,-3.2 -1,-0.2 -5,-0.5 -6,-0.2 0.471 102.5 114.4 78.2 11.6 10.7 -5.6 5.6 251 251 A L < - 0 0 6 -3,-0.9 -1,-0.2 -8,-0.4 80,-0.1 -0.941 61.9-126.6-111.3 135.4 7.8 -4.9 8.1 252 252 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 30,-0.1 -0.253 30.5-123.7 -71.2 166.7 8.5 -5.0 11.8 253 253 A T - 0 0 2 25,-0.1 -51,-0.3 1,-0.1 25,-0.2 -0.667 14.5-110.2-120.0 167.1 6.2 -7.2 14.0 254 254 A F S S+ 0 0 8 23,-2.2 -52,-0.3 21,-0.3 2,-0.3 0.932 100.1 23.4 -54.6 -54.2 3.9 -7.2 17.0 255 255 A L + 0 0 0 20,-2.4 8,-2.0 8,-0.3 2,-0.3 -0.885 63.6 178.6-125.2 153.3 6.2 -9.2 19.3 256 256 A S B -GH 199 262E 0 -57,-2.4 -57,-2.7 -2,-0.3 2,-0.1 -0.985 27.8-119.3-145.2 149.8 9.9 -9.9 19.5 257 257 A R > - 0 0 73 4,-2.8 3,-2.0 -2,-0.3 -59,-0.2 -0.363 49.1 -93.2 -76.5 172.8 12.3 -11.8 21.7 258 258 A L T 3 S+ 0 0 34 1,-0.3 -60,-0.1 2,-0.1 -1,-0.1 0.651 126.6 57.7 -69.8 -13.3 15.1 -9.8 23.4 259 259 A D T 3 S- 0 0 82 2,-0.1 -1,-0.3 -62,-0.1 -62,-0.0 0.378 123.6-102.2 -93.3 2.5 17.5 -10.5 20.5 260 260 A G S < S+ 0 0 0 -3,-2.0 -2,-0.1 1,-0.3 -18,-0.1 0.327 72.9 146.2 97.6 -6.9 15.1 -9.0 18.0 261 261 A S - 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