==== 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 1XWQ . 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) . 15246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 69.7 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 . 35 8.7 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 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 0 120 0, 0.0 23,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 153.7 11.4 20.8 -1.0 2 2 A F - 0 0 23 1,-0.1 2,-1.1 22,-0.1 356,-0.1 -0.394 360.0-129.4 -60.8 129.4 11.8 17.5 0.9 3 3 A N + 0 0 65 1,-0.1 -1,-0.1 -2,-0.1 352,-0.0 -0.740 28.7 178.6 -80.5 100.3 15.1 17.2 2.7 4 4 A N S S+ 0 0 83 -2,-1.1 -1,-0.1 1,-0.2 -2,-0.1 0.289 70.9 65.3 -88.9 10.5 16.2 13.7 1.5 5 5 A N S S- 0 0 114 352,-0.0 -1,-0.2 0, 0.0 351,-0.1 -0.552 77.1-165.4-127.9 66.6 19.5 14.0 3.4 6 6 A P - 0 0 7 0, 0.0 297,-0.1 0, 0.0 -2,-0.0 -0.248 29.3-101.7 -58.3 138.2 18.4 14.1 7.1 7 7 A S - 0 0 67 2,-0.1 291,-2.9 1,-0.1 4,-0.1 -0.219 9.5-141.2 -62.6 144.8 21.1 15.2 9.4 8 8 A S S S+ 0 0 76 289,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.474 91.6 79.6 -79.1 -6.0 23.1 12.7 11.5 9 9 A V S S- 0 0 81 288,-0.1 288,-0.3 4,-0.0 -2,-0.1 -0.923 85.1-134.7-101.4 122.9 22.9 15.4 14.2 10 10 A G >> - 0 0 1 286,-0.6 4,-2.5 -2,-0.6 3,-0.6 -0.332 16.3-116.3 -79.4 159.5 19.5 15.4 15.9 11 11 A A H 3> S+ 0 0 3 283,-2.5 4,-2.5 1,-0.2 284,-0.2 0.794 114.7 64.5 -58.0 -33.3 17.2 18.3 16.8 12 12 A Y H 34 S+ 0 0 32 283,-2.3 -1,-0.2 2,-0.2 284,-0.1 0.896 111.9 35.5 -59.0 -40.0 17.7 17.4 20.5 13 13 A S H <4 S+ 0 0 89 -3,-0.6 -2,-0.2 282,-0.5 -1,-0.2 0.930 127.2 34.2 -77.6 -51.4 21.4 18.3 20.1 14 14 A S H < S- 0 0 61 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.700 93.2-130.9 -81.3 -21.9 21.2 21.2 17.6 15 15 A G < + 0 0 55 -4,-2.5 2,-0.7 -5,-0.3 -4,-0.1 0.509 69.2 127.2 76.2 5.1 18.0 22.8 18.7 16 16 A T - 0 0 101 -6,-0.2 2,-0.4 -5,-0.1 -1,-0.2 -0.850 41.4-168.7 -99.8 106.1 17.0 22.8 15.0 17 17 A Y - 0 0 45 -2,-0.7 2,-0.1 378,-0.1 278,-0.1 -0.778 18.4-126.9 -95.9 133.0 13.6 21.1 14.4 18 18 A R - 0 0 33 -2,-0.4 2,-0.6 276,-0.1 3,-0.1 -0.490 6.5-150.4 -71.5 147.0 12.5 20.2 10.9 19 19 A N > - 0 0 28 -2,-0.1 4,-2.2 1,-0.1 375,-0.2 -0.892 16.3-177.6-113.2 92.0 9.1 21.3 9.7 20 20 A L H > S+ 0 0 0 -2,-0.6 4,-2.2 372,-0.3 374,-0.2 0.879 80.4 54.7 -61.4 -40.3 8.2 18.5 7.3 21 21 A A H 4>S+ 0 0 0 372,-3.0 5,-2.6 1,-0.2 -1,-0.2 0.890 109.9 48.2 -59.7 -40.2 4.9 20.1 6.2 22 22 A Q H >45S+ 0 0 131 371,-0.3 3,-1.8 3,-0.2 -2,-0.2 0.895 108.0 53.7 -65.5 -44.3 6.9 23.3 5.3 23 23 A E H 3<5S+ 0 0 33 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.894 107.4 53.1 -55.3 -40.6 9.5 21.3 3.4 24 24 A M T 3<5S- 0 0 32 -4,-2.2 -1,-0.3 -23,-0.2 -2,-0.2 0.323 121.5-110.8 -79.2 4.5 6.6 19.7 1.4 25 25 A G T < 5 + 0 0 59 -3,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.714 62.7 155.1 75.7 23.3 5.3 23.2 0.5 26 26 A K < - 0 0 60 -5,-2.6 2,-0.3 -6,-0.1 3,-0.2 -0.478 28.0-148.9 -80.7 153.7 2.1 23.1 2.7 27 27 A T S S+ 0 0 106 1,-0.2 -1,-0.0 -2,-0.1 -5,-0.0 -0.761 71.2 29.4-118.2 166.9 0.5 26.3 4.0 28 28 A N S > S+ 0 0 110 -2,-0.3 4,-1.7 3,-0.1 -1,-0.2 0.870 72.4 154.1 51.9 43.0 -1.5 27.1 7.1 29 29 A I H > + 0 0 15 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.955 66.9 44.1 -67.7 -52.7 0.4 24.4 8.9 30 30 A Q H > S+ 0 0 75 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.882 110.9 55.5 -64.6 -39.9 0.1 25.7 12.5 31 31 A Q H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 109.6 47.4 -54.0 -44.5 -3.6 26.5 12.0 32 32 A K H X S+ 0 0 44 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.891 111.9 49.1 -67.8 -41.0 -4.1 22.8 11.0 33 33 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 113.6 47.6 -60.0 -47.3 -2.1 21.6 14.0 34 34 A N H X S+ 0 0 78 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.892 111.9 48.1 -62.5 -44.1 -4.1 23.9 16.3 35 35 A S H X S+ 0 0 48 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.866 107.2 57.9 -66.0 -36.4 -7.5 22.8 14.9 36 36 A T H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.941 111.6 41.2 -57.3 -48.3 -6.5 19.2 15.2 37 37 A F H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.942 113.7 52.8 -65.4 -47.0 -5.9 19.6 18.9 38 38 A D H < S+ 0 0 82 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 112.6 45.1 -57.7 -39.7 -9.0 21.8 19.4 39 39 A N H >< S+ 0 0 55 -4,-2.7 3,-0.9 2,-0.2 5,-0.3 0.882 114.8 46.5 -72.4 -40.6 -11.2 19.1 17.6 40 40 A M H 3< S+ 0 0 4 -4,-2.1 9,-2.9 -5,-0.2 10,-1.8 0.878 122.2 37.4 -68.4 -35.3 -9.7 16.2 19.5 41 41 A F T 3< S+ 0 0 14 -4,-2.8 2,-0.3 7,-0.2 -1,-0.2 -0.034 101.5 96.0-107.5 27.9 -10.0 18.0 22.8 42 42 A G S < S- 0 0 18 -3,-0.9 2,-2.0 -5,-0.1 3,-0.4 -0.854 83.4-111.4-118.7 154.9 -13.3 19.8 22.2 43 43 A Y S S+ 0 0 155 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.439 79.5 113.8 -86.5 68.1 -16.9 18.7 23.2 44 44 A N - 0 0 52 -2,-2.0 -1,-0.2 -5,-0.3 -4,-0.1 0.486 67.5-141.4-114.5 -9.6 -18.0 18.0 19.6 45 45 A N S S+ 0 0 111 -3,-0.4 -2,-0.1 1,-0.1 330,-0.0 0.729 84.9 82.8 48.0 28.2 -18.5 14.2 19.8 46 46 A T S S- 0 0 64 -7,-0.2 330,-0.6 329,-0.1 -1,-0.1 0.705 111.8 -1.4-120.0 -71.8 -17.1 14.1 16.3 47 47 A Q S S+ 0 0 42 -8,-0.3 -8,-0.1 328,-0.2 -7,-0.1 0.583 104.6 128.9 -90.2 -17.0 -13.3 14.1 16.3 48 48 A Q + 0 0 8 1,-0.1 -8,-0.2 -6,-0.1 -7,-0.2 -0.003 20.8 156.1 -51.4 136.3 -13.4 14.3 20.1 49 49 A L + 0 0 0 -9,-2.9 16,-2.7 1,-0.1 2,-0.6 0.426 53.8 87.3-130.4 -13.8 -11.4 11.8 22.2 50 50 A Y E +A 64 0A 9 -10,-1.8 14,-0.2 14,-0.2 -1,-0.1 -0.835 57.3 174.9 -98.7 114.2 -11.0 13.9 25.4 51 51 A Y E -A 63 0A 21 12,-2.8 12,-2.7 -2,-0.6 2,-0.1 -0.955 28.9-120.0-128.0 140.4 -13.9 13.4 27.8 52 52 A P E -A 62 0A 48 0, 0.0 2,-0.5 0, 0.0 10,-0.3 -0.466 19.7-148.2 -73.9 145.7 -14.7 14.5 31.3 53 53 A Y E +A 61 0A 4 8,-3.4 7,-2.3 -2,-0.1 8,-1.4 -0.988 20.9 177.9-114.8 123.9 -15.3 12.0 34.1 54 54 A T E -A 59 0A 70 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.904 18.8-151.8-122.9 153.6 -17.8 12.9 36.8 55 55 A E E > S-A 58 0A 49 3,-2.4 3,-2.0 -2,-0.3 77,-0.1 -0.982 82.1 -18.2-129.6 119.3 -19.0 11.1 39.9 56 56 A N T 3 S- 0 0 144 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.868 129.7 -52.2 50.2 42.2 -22.5 11.9 41.2 57 57 A G T 3 S+ 0 0 72 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.409 112.4 122.6 79.0 -0.8 -22.4 15.2 39.2 58 58 A V E < -A 55 0A 80 -3,-2.0 -3,-2.4 1,-0.0 -1,-0.2 -0.835 65.3-122.4 -97.2 123.2 -19.0 16.2 40.7 59 59 A Y E +A 54 0A 95 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.385 39.8 162.1 -61.4 136.2 -16.2 16.8 38.2 60 60 A K E - 0 0 74 -7,-2.3 2,-0.2 1,-0.4 -6,-0.2 0.692 50.4 -50.7-117.8 -63.4 -13.2 14.6 38.8 61 61 A A E -A 53 0A 1 -8,-1.4 -8,-3.4 40,-0.1 -1,-0.4 -0.853 49.6 -97.7-162.4-171.5 -10.8 14.4 35.8 62 62 A H E -A 52 0A 6 36,-2.2 40,-0.3 -10,-0.3 2,-0.3 -0.909 27.2-168.6-125.9 155.5 -10.6 13.7 32.0 63 63 A Y E -A 51 0A 13 -12,-2.7 -12,-2.8 -2,-0.3 2,-0.6 -0.962 29.6-114.6-137.6 158.8 -9.7 10.7 29.9 64 64 A I E -A 50 0A 0 -2,-0.3 2,-0.6 -14,-0.2 12,-0.6 -0.870 40.0-135.6 -88.2 121.1 -9.0 9.7 26.4 65 65 A K E -B 75 0B 42 -16,-2.7 2,-1.8 -2,-0.6 10,-0.2 -0.697 6.1-150.2 -87.2 116.1 -11.9 7.5 25.4 66 66 A A E -B 74 0B 2 8,-2.4 8,-2.0 -2,-0.6 -1,-0.1 -0.597 23.5-152.9 -83.1 78.0 -10.8 4.4 23.5 67 67 A I + 0 0 22 -2,-1.8 313,-0.3 6,-0.2 314,-0.2 -0.257 19.9 176.2 -54.5 134.9 -14.1 4.1 21.5 68 68 A N > - 0 0 25 1,-0.1 4,-1.4 312,-0.1 310,-0.1 -0.802 23.4-179.1-152.7 100.2 -14.7 0.5 20.5 69 69 A P T 4 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.687 86.9 55.0 -71.9 -18.1 -17.9 -0.7 18.7 70 70 A D T 4 S+ 0 0 106 1,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.850 128.9 7.1 -86.9 -37.4 -16.7 -4.3 18.8 71 71 A E T 4 S- 0 0 137 1,-0.1 -1,-0.1 3,-0.0 -3,-0.0 0.251 115.4 -88.7-129.7 9.2 -16.0 -4.8 22.5 72 72 A G < - 0 0 32 -4,-1.4 -1,-0.1 2,-0.0 -2,-0.1 0.251 56.0 -63.0 91.0 143.6 -17.4 -1.7 24.1 73 73 A D + 0 0 73 -4,-0.1 55,-0.3 -6,-0.1 2,-0.2 -0.281 60.7 172.8 -57.0 136.8 -15.6 1.7 24.8 74 74 A D E -B 66 0B 2 -8,-2.0 -8,-2.4 53,-0.1 2,-0.4 -0.774 30.6-115.1-135.2-174.1 -12.8 1.4 27.2 75 75 A I E -BC 65 126B 3 51,-2.6 51,-2.8 -2,-0.2 2,-0.3 -0.996 30.3-165.3-131.0 127.6 -10.0 3.7 28.6 76 76 A R E > - C 0 125B 56 -12,-0.6 4,-2.3 -2,-0.4 -12,-0.2 -0.879 29.7-138.1-122.7 144.9 -6.3 2.9 27.9 77 77 A T H > S+ 0 0 0 47,-0.9 4,-2.7 -2,-0.3 5,-0.2 0.839 106.8 60.5 -65.0 -33.7 -3.0 4.1 29.4 78 78 A Q H > S+ 0 0 22 46,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.963 110.2 38.0 -55.6 -56.9 -1.7 4.2 25.8 79 79 A G H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.879 116.1 53.9 -63.9 -39.1 -4.3 6.8 24.7 80 80 A Q H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.930 111.4 44.1 -59.8 -47.4 -4.1 8.7 28.1 81 81 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.864 113.1 51.0 -70.6 -38.1 -0.3 9.1 27.9 82 82 A W H X S+ 0 0 5 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.879 107.7 54.6 -61.0 -41.2 -0.4 10.1 24.2 83 83 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 108.6 47.6 -60.7 -44.1 -3.1 12.7 25.1 84 84 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.870 109.9 53.4 -63.7 -39.1 -0.8 14.2 27.7 85 85 A T H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.927 110.0 47.0 -62.8 -46.0 2.1 14.2 25.3 86 86 A A H X S+ 0 0 2 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.929 111.6 52.0 -59.5 -47.0 0.0 16.2 22.7 87 87 A A H <>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 3,-0.4 0.904 109.5 47.5 -57.2 -46.7 -1.2 18.6 25.4 88 88 A V H ><5S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.851 106.7 57.8 -68.2 -31.5 2.4 19.5 26.6 89 89 A M H 3<5S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 113.5 39.3 -66.5 -29.8 3.7 20.0 23.1 90 90 A L T 3<5S- 0 0 26 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.248 115.9-111.2-104.1 10.3 1.0 22.7 22.5 91 91 A N T < 5 + 0 0 86 -3,-0.9 2,-1.0 -4,-0.2 -3,-0.2 0.877 63.3 153.3 63.8 39.6 1.3 24.2 26.0 92 92 A K >< + 0 0 67 -5,-3.1 4,-2.0 1,-0.2 -1,-0.2 -0.722 11.4 169.0-103.3 84.0 -2.2 23.0 27.0 93 93 A Q H > + 0 0 79 -2,-1.0 4,-3.0 1,-0.2 5,-0.2 0.882 69.1 50.7 -70.8 -45.0 -1.9 22.8 30.7 94 94 A E H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 112.5 48.3 -59.9 -45.4 -5.5 22.2 31.9 95 95 A E H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 113.6 48.4 -60.1 -43.6 -5.9 19.4 29.4 96 96 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.950 113.5 46.4 -58.1 -51.5 -2.6 17.9 30.6 97 97 A D H X S+ 0 0 8 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.854 110.1 52.2 -64.3 -40.2 -3.5 18.2 34.3 98 98 A N H X S+ 0 0 15 -4,-2.6 -36,-2.2 -5,-0.2 4,-1.2 0.858 113.6 44.9 -65.8 -36.3 -7.1 16.8 33.8 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.898 114.6 47.6 -72.7 -43.2 -5.6 13.7 32.0 100 100 A W H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.889 107.7 55.9 -68.4 -39.5 -2.8 13.2 34.6 101 101 A R H X S+ 0 0 56 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.900 110.0 47.8 -53.7 -42.4 -5.2 13.6 37.5 102 102 A F H X>S+ 0 0 0 -4,-1.2 4,-3.1 -40,-0.3 5,-0.7 0.942 111.7 47.9 -65.2 -50.5 -7.3 10.7 36.0 103 103 A A H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-1.4 0.918 113.8 46.9 -58.3 -47.6 -4.3 8.4 35.4 104 104 A K H <5S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 120.5 38.1 -63.2 -37.9 -2.9 8.9 38.9 105 105 A A H <5S+ 0 0 58 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.870 133.2 15.7 -81.7 -39.9 -6.3 8.4 40.6 106 106 A Y H <5S+ 0 0 43 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.681 125.1 43.9-118.0 -26.2 -7.8 5.6 38.5 107 107 A Q T < - 0 0 60 0, 0.0 3,-1.6 0, 0.0 10,-0.7 -0.190 24.9-124.4 -56.3 147.2 -1.6 0.7 44.5 111 111 A D T 3 S+ 0 0 98 1,-0.3 8,-0.1 8,-0.3 -2,-0.0 0.663 112.9 51.8 -66.9 -16.3 2.0 0.5 45.6 112 112 A N T 3 S+ 0 0 136 7,-0.0 -1,-0.3 8,-0.0 4,-0.1 0.085 76.5 149.8-109.1 22.7 1.0 -2.2 48.1 113 113 A H < - 0 0 16 -3,-1.6 6,-0.2 1,-0.1 5,-0.1 -0.273 57.5-121.6 -51.0 133.7 -0.9 -4.4 45.6 114 114 A P S S+ 0 0 131 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.763 103.3 68.9 -53.6 -28.5 -0.6 -8.0 46.6 115 115 A D S >> S- 0 0 49 1,-0.1 3,-1.6 2,-0.0 4,-0.5 -0.864 74.1-158.2 -93.7 111.3 1.1 -8.8 43.3 116 116 A A G >4 S+ 0 0 53 -2,-0.7 3,-0.7 1,-0.3 -1,-0.1 0.793 90.1 63.3 -60.6 -28.5 4.5 -7.2 43.4 117 117 A K G 34 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 77,-0.0 0.699 106.2 45.0 -69.7 -18.2 4.7 -7.2 39.6 118 118 A K G X4 S+ 0 0 40 -3,-1.6 3,-1.5 -5,-0.1 -1,-0.2 0.488 80.9 125.9-101.5 -7.4 1.6 -4.8 39.5 119 119 A Q T << S- 0 0 57 -3,-0.7 -8,-0.3 -4,-0.5 3,-0.1 -0.363 89.3 -10.6 -63.3 119.9 2.8 -2.4 42.2 120 120 A G T 3 S+ 0 0 1 -11,-0.9 -1,-0.3 -10,-0.7 -9,-0.1 0.436 103.0 125.0 73.5 -0.0 2.7 1.2 41.0 121 121 A V < - 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