==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-05 2A8Z . 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) . 14947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 70.2 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 . 33 8.2 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 . 2 0.5 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 . 24 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.9 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 . 9 2.2 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 1 1 2 2 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 . 5 3 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 . 1 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 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 0 115 0, 0.0 23,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 108.1 37.6 12.7 12.6 2 2 A F - 0 0 29 21,-0.1 2,-1.3 1,-0.1 356,-0.1 -0.478 360.0-125.1 -63.9 136.7 38.5 9.7 10.5 3 3 A N - 0 0 58 1,-0.2 -1,-0.1 -2,-0.1 21,-0.0 -0.693 30.6-178.6 -90.8 88.6 42.2 9.4 10.2 4 4 A N S S+ 0 0 88 -2,-1.3 -1,-0.2 1,-0.2 354,-0.1 0.374 72.5 57.7 -74.9 1.1 42.7 9.4 6.4 5 5 A N S S- 0 0 104 352,-0.0 -1,-0.2 -3,-0.0 351,-0.1 -0.692 81.0-158.7-131.1 79.2 46.4 9.1 6.6 6 6 A P - 0 0 4 0, 0.0 297,-0.1 0, 0.0 4,-0.1 -0.278 30.2 -95.1 -58.0 142.2 47.1 5.9 8.6 7 7 A S - 0 0 65 1,-0.1 291,-2.4 2,-0.1 4,-0.1 -0.306 14.7-144.1 -63.0 136.7 50.5 5.6 10.2 8 8 A S S S+ 0 0 76 289,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.472 91.0 77.6 -77.2 -5.9 53.3 3.8 8.4 9 9 A V S S- 0 0 77 288,-0.1 288,-0.4 289,-0.0 289,-0.3 -0.886 90.9-122.3 -95.2 139.4 54.3 2.7 11.9 10 10 A G > - 0 0 4 286,-0.7 4,-1.7 -2,-0.4 6,-0.3 -0.313 11.9-119.1 -80.4 164.0 52.0 -0.0 13.2 11 11 A A H > S+ 0 0 2 283,-3.2 4,-1.6 1,-0.2 284,-0.2 0.771 111.3 64.4 -64.9 -25.4 49.9 -0.1 16.3 12 12 A Y H 4 S+ 0 0 22 283,-2.9 -1,-0.2 2,-0.2 284,-0.1 0.912 109.5 31.4 -69.2 -50.8 52.0 -3.1 17.4 13 13 A S H 4 S+ 0 0 110 282,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.949 125.2 45.9 -69.3 -51.8 55.4 -1.3 17.7 14 14 A S H < S- 0 0 59 -4,-1.7 -2,-0.2 281,-0.2 -3,-0.2 0.640 94.9-137.6 -71.3 -20.0 53.9 2.0 18.8 15 15 A G < + 0 0 50 -4,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.541 66.4 123.6 72.1 4.6 51.5 0.6 21.3 16 16 A T - 0 0 101 -6,-0.3 2,-0.4 -5,-0.2 -1,-0.2 -0.854 44.3-167.4-104.2 102.8 49.0 3.0 19.9 17 17 A Y - 0 0 48 -2,-0.8 2,-0.1 378,-0.1 381,-0.1 -0.729 18.6-126.5 -89.2 132.7 45.8 1.3 18.7 18 18 A R - 0 0 27 -2,-0.4 2,-0.5 276,-0.1 377,-0.1 -0.407 6.3-146.9 -67.2 150.1 43.3 3.2 16.6 19 19 A N > - 0 0 33 1,-0.2 4,-2.6 375,-0.1 5,-0.2 -0.748 18.0-178.7-116.1 83.6 39.7 3.4 17.6 20 20 A L H > S+ 0 0 0 -2,-0.5 4,-2.8 372,-0.5 5,-0.2 0.914 81.0 50.7 -46.9 -57.6 38.0 3.6 14.1 21 21 A A H 4>S+ 0 0 0 372,-3.5 5,-1.9 1,-0.2 -1,-0.3 0.895 110.9 49.6 -47.7 -48.9 34.5 3.8 15.6 22 22 A Q H >45S+ 0 0 129 371,-0.4 3,-2.9 1,-0.2 -1,-0.2 0.969 109.8 50.2 -56.6 -54.1 35.6 6.7 17.8 23 23 A E H 3<5S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.895 103.4 60.3 -50.3 -45.0 37.2 8.5 14.9 24 24 A M T 3<5S- 0 0 27 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.424 122.7-109.8 -67.2 3.1 34.0 8.1 12.9 25 25 A G T < 5 + 0 0 56 -3,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.361 68.1 147.5 89.5 -3.0 32.3 10.1 15.7 26 26 A K < - 0 0 60 -5,-1.9 2,-0.3 1,-0.1 -1,-0.2 0.152 30.4-148.7 -67.7 179.5 30.3 7.2 17.2 27 27 A T + 0 0 115 1,-0.1 -1,-0.1 2,-0.1 -6,-0.0 -0.922 66.2 29.8-146.6 165.9 29.3 6.6 20.9 28 28 A N S > S+ 0 0 76 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 0.775 71.3 151.0 48.7 33.1 28.7 3.8 23.4 29 29 A I H > + 0 0 12 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.906 63.7 50.7 -61.1 -49.8 31.2 1.7 21.4 30 30 A Q H > S+ 0 0 78 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.868 108.3 55.1 -61.3 -36.9 32.4 -0.5 24.3 31 31 A Q H > S+ 0 0 57 2,-0.2 4,-4.3 3,-0.2 5,-0.4 0.990 110.6 44.6 -54.8 -59.8 28.8 -1.2 25.1 32 32 A K H X S+ 0 0 41 -4,-2.3 4,-3.8 1,-0.3 -2,-0.2 0.932 113.9 49.8 -50.1 -53.9 28.3 -2.4 21.6 33 33 A V H X S+ 0 0 0 -4,-3.5 4,-2.0 2,-0.2 -1,-0.3 0.893 118.3 40.5 -51.2 -42.8 31.6 -4.4 21.6 34 34 A N H X S+ 0 0 62 -4,-3.0 4,-3.6 2,-0.2 -2,-0.2 0.969 115.3 47.2 -75.5 -52.7 30.5 -5.9 24.9 35 35 A S H X S+ 0 0 51 -4,-4.3 4,-3.5 1,-0.2 5,-0.3 0.933 110.5 57.6 -52.3 -44.1 26.9 -6.5 24.1 36 36 A T H X S+ 0 0 1 -4,-3.8 4,-2.4 -5,-0.4 -1,-0.2 0.948 112.6 37.9 -49.7 -57.4 28.2 -8.0 20.8 37 37 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.951 116.2 53.5 -57.0 -51.6 30.3 -10.5 22.7 38 38 A D H X S+ 0 0 79 -4,-3.6 4,-1.1 2,-0.2 -2,-0.2 0.885 112.5 42.6 -53.9 -50.9 27.6 -11.1 25.4 39 39 A N H >< S+ 0 0 53 -4,-3.5 3,-1.2 2,-0.2 8,-0.2 0.973 113.7 51.0 -58.1 -57.6 24.9 -11.8 22.8 40 40 A M H 3< S+ 0 0 4 -4,-2.4 9,-2.3 -5,-0.3 10,-1.8 0.763 122.5 34.9 -50.9 -27.8 27.1 -14.0 20.7 41 41 A F H 3< S+ 0 0 11 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.475 98.4 98.0-110.0 -5.3 28.0 -15.9 23.9 42 42 A G S << S- 0 0 22 -3,-1.2 2,-1.3 -4,-1.1 4,-0.3 -0.644 84.4-107.7 -88.5 141.9 24.7 -15.7 25.7 43 43 A Y S S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 -0.521 80.3 112.0 -67.5 94.1 22.3 -18.6 25.7 44 44 A N S S- 0 0 56 -2,-1.3 -1,-0.2 -5,-0.2 -4,-0.0 0.333 70.9-133.3-147.7 6.0 19.6 -17.2 23.5 45 45 A N S S+ 0 0 70 -3,-0.2 -2,-0.1 1,-0.1 331,-0.1 0.821 89.5 85.6 30.8 45.5 19.5 -19.1 20.2 46 46 A T S S- 0 0 62 -4,-0.3 330,-1.0 -7,-0.2 -1,-0.1 0.590 110.4 -6.1-131.8 -67.7 19.4 -15.7 18.5 47 47 A Q S S+ 0 0 41 -8,-0.2 -7,-0.1 -5,-0.2 -4,-0.1 0.573 105.8 124.0-100.8 -22.2 22.9 -14.1 18.0 48 48 A Q + 0 0 6 -6,-0.2 -7,-0.2 -9,-0.2 -8,-0.2 0.076 21.5 154.8 -43.1 140.2 24.4 -17.0 19.9 49 49 A L + 0 0 1 -9,-2.3 16,-3.0 -10,-0.1 2,-0.7 0.327 52.6 96.0-137.8 -20.0 27.1 -19.1 18.3 50 50 A Y E +A 64 0A 6 -10,-1.8 14,-0.2 14,-0.2 -2,-0.1 -0.672 56.4 178.7 -76.9 108.1 28.7 -20.2 21.6 51 51 A Y E -A 63 0A 31 12,-3.3 12,-2.8 -2,-0.7 2,-0.2 -0.954 26.4-126.0-124.9 135.3 27.2 -23.6 22.4 52 52 A P E -A 62 0A 47 0, 0.0 2,-0.6 0, 0.0 10,-0.3 -0.473 20.0-145.9 -72.8 140.0 27.9 -26.0 25.4 53 53 A Y E -A 61 0A 5 8,-3.0 7,-2.1 -2,-0.2 8,-1.4 -0.923 18.4-177.0-116.8 111.9 28.9 -29.5 24.5 54 54 A T E -A 59 0A 70 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.701 14.0-155.3-103.6 149.9 27.7 -32.3 26.9 55 55 A E E > S-A 58 0A 51 3,-2.0 3,-1.6 -2,-0.3 78,-0.1 -0.972 84.4 -17.6-128.6 116.6 28.4 -36.0 26.7 56 56 A N T 3 S- 0 0 146 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.866 128.9 -58.4 52.1 34.9 25.9 -38.3 28.4 57 57 A G T 3 S+ 0 0 69 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.671 111.9 121.4 69.9 19.2 24.8 -35.1 30.1 58 58 A V E < -A 55 0A 91 -3,-1.6 -3,-2.0 0, 0.0 -1,-0.2 -0.972 69.9-116.4-109.4 118.8 28.1 -34.4 31.7 59 59 A Y E +A 54 0A 92 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.191 41.6 166.4 -55.1 137.4 29.4 -31.0 30.5 60 60 A K E - 0 0 78 -7,-2.1 2,-0.2 1,-0.4 -6,-0.2 0.760 49.7 -48.5-116.1 -60.7 32.6 -31.1 28.5 61 61 A A E -A 53 0A 1 -8,-1.4 -8,-3.0 40,-0.1 -1,-0.4 -0.726 51.6 -99.3-155.0-161.3 33.4 -27.9 26.6 62 62 A H E -A 52 0A 3 36,-1.5 40,-0.4 -10,-0.3 2,-0.3 -0.967 29.9-172.3-135.8 154.3 31.9 -25.3 24.4 63 63 A Y E -A 51 0A 12 -12,-2.8 -12,-3.3 -2,-0.3 2,-0.6 -0.950 31.2-105.0-142.0 163.6 32.1 -24.8 20.6 64 64 A I E -A 50 0A 1 -2,-0.3 2,-1.0 12,-0.2 12,-0.4 -0.825 36.7-135.0 -92.9 120.5 31.1 -22.3 17.9 65 65 A K - 0 0 43 -16,-3.0 2,-2.2 -2,-0.6 10,-0.2 -0.653 4.2-149.7 -85.1 102.2 28.1 -23.6 16.1 66 66 A A B -B 74 0B 2 8,-1.6 8,-2.1 -2,-1.0 2,-0.3 -0.504 26.8-146.6 -68.6 81.9 28.5 -23.2 12.3 67 67 A I - 0 0 26 -2,-2.2 313,-0.4 6,-0.2 314,-0.2 -0.377 16.4-167.6 -65.1 118.2 24.8 -22.8 11.9 68 68 A N > + 0 0 36 -2,-0.3 5,-0.5 1,-0.1 4,-0.4 -0.907 19.1 178.5-116.6 107.7 23.6 -24.2 8.5 69 69 A P T 5S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 309,-0.1 0.739 88.3 32.0 -79.7 -23.9 20.1 -23.5 7.2 70 70 A D T 5S+ 0 0 90 307,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.805 132.6 21.9 -91.9 -86.4 20.7 -25.5 4.0 71 71 A E T 5S- 0 0 76 1,-0.1 -3,-0.0 3,-0.0 -1,-0.0 0.580 113.4-106.7 -64.8 -11.6 23.0 -28.4 4.7 72 72 A G T 5 - 0 0 25 -4,-0.4 -1,-0.1 2,-0.0 -2,-0.1 0.388 51.7 -46.7 88.0 135.7 22.3 -28.5 8.4 73 73 A D < + 0 0 68 -5,-0.5 55,-0.4 1,-0.1 2,-0.2 0.210 58.5 166.3 -38.2 136.7 24.6 -27.4 11.4 74 74 A D B -B 66 0B 6 -8,-2.1 -8,-1.6 53,-0.1 2,-0.5 -0.840 33.8-114.1-139.2-179.1 28.3 -28.3 11.7 75 75 A I E -C 126 0C 2 51,-3.2 51,-1.4 -2,-0.2 2,-0.3 -0.917 30.7-173.7-127.1 107.6 31.4 -27.3 13.7 76 76 A R E > -C 125 0C 69 -2,-0.5 4,-0.8 -12,-0.4 -12,-0.2 -0.688 28.7-132.9-102.8 151.6 34.3 -25.7 11.9 77 77 A T H > S+ 0 0 0 47,-0.6 4,-2.9 -2,-0.3 5,-0.3 0.830 100.7 63.7 -67.1 -37.9 37.8 -24.8 13.3 78 78 A E H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.971 105.7 42.0 -52.2 -63.4 37.8 -21.3 11.8 79 79 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.727 114.7 54.3 -58.5 -24.9 34.9 -20.1 13.8 80 80 A Q H X S+ 0 0 0 -4,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.936 108.6 45.1 -73.1 -50.9 36.3 -21.8 16.9 81 81 A S H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.809 113.0 53.7 -64.7 -31.0 39.7 -20.2 16.7 82 82 A W H X S+ 0 0 6 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.907 106.4 52.3 -64.7 -43.3 37.8 -16.9 16.1 83 83 A G H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.962 109.6 47.3 -57.1 -53.8 35.9 -17.5 19.2 84 84 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.875 111.2 54.3 -52.0 -41.7 39.0 -18.0 21.2 85 85 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.942 110.0 43.6 -61.0 -52.9 40.4 -14.9 19.6 86 86 A A H X S+ 0 0 1 -4,-2.6 4,-1.7 2,-0.2 6,-0.3 0.900 111.9 56.2 -60.1 -42.7 37.4 -12.7 20.6 87 87 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 3,-1.2 0.978 110.3 42.3 -51.7 -63.4 37.5 -14.2 24.1 88 88 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.830 111.7 56.4 -55.0 -36.5 41.1 -13.3 24.7 89 89 A M H 3<5S+ 0 0 3 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.818 114.2 38.8 -65.9 -29.5 40.6 -9.9 23.2 90 90 A L T <<5S- 0 0 21 -4,-1.7 -1,-0.2 -3,-1.2 -2,-0.2 0.188 114.2-113.5-108.2 16.0 37.7 -9.2 25.7 91 91 A N T < 5 + 0 0 90 -3,-1.0 2,-1.5 -4,-0.2 -3,-0.2 0.688 66.3 148.2 62.0 22.8 39.4 -10.8 28.6 92 92 A K >< + 0 0 61 -5,-2.4 4,-1.5 -6,-0.3 -1,-0.2 -0.688 9.8 161.1 -88.2 84.6 36.7 -13.5 28.7 93 93 A Q H > + 0 0 68 -2,-1.5 4,-2.0 2,-0.2 5,-0.3 0.820 65.4 61.5 -79.9 -32.9 38.9 -16.4 29.9 94 94 A E H > S+ 0 0 143 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.954 111.1 41.4 -54.6 -51.4 36.1 -18.7 31.1 95 95 A E H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 108.8 61.4 -61.7 -43.6 34.8 -18.8 27.6 96 96 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.921 106.7 42.7 -52.3 -53.0 38.3 -19.1 26.1 97 97 A D H X S+ 0 0 16 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.827 108.1 60.9 -69.1 -31.8 39.2 -22.4 27.8 98 98 A N H X S+ 0 0 12 -4,-1.4 4,-1.8 -5,-0.3 -36,-1.5 0.963 112.5 37.8 -53.4 -52.8 35.7 -23.8 27.1 99 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.835 116.2 51.7 -69.1 -37.5 36.4 -23.4 23.3 100 100 A W H X S+ 0 0 2 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.877 106.9 53.7 -71.7 -35.0 40.1 -24.4 23.6 101 101 A R H X S+ 0 0 64 -4,-2.9 4,-1.8 2,-0.2 5,-0.2 0.953 111.2 46.9 -57.8 -51.1 39.2 -27.6 25.5 102 102 A F H >X>S+ 0 0 0 -4,-1.8 4,-3.5 -40,-0.4 5,-0.8 0.975 115.0 45.6 -51.6 -63.3 36.8 -28.5 22.7 103 103 A A H 3X>S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 5,-1.4 0.929 113.2 47.8 -46.3 -61.2 39.3 -27.8 20.0 104 104 A K H 3<5S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.801 122.9 35.7 -54.1 -31.5 42.2 -29.6 21.7 105 105 A A H <<5S+ 0 0 57 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.900 132.1 16.7 -90.1 -47.4 40.0 -32.7 22.3 106 106 A Y H <5S+ 0 0 35 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.743 124.5 46.8-108.8 -29.4 37.6 -33.0 19.4 107 107 A Q T < - 0 0 61 0, 0.0 3,-1.5 0, 0.0 10,-0.5 -0.207 20.8-126.6 -52.5 144.3 46.1 -37.6 16.8 111 111 A D T 3 S+ 0 0 101 1,-0.3 8,-0.1 8,-0.2 7,-0.0 0.531 110.0 62.1 -76.0 -5.6 49.8 -37.4 15.9 112 112 A N T 3 S+ 0 0 134 8,-0.0 -1,-0.3 0, 0.0 4,-0.1 0.087 74.8 142.5-102.0 17.3 49.8 -41.1 15.2 113 113 A H < - 0 0 18 -3,-1.5 6,-0.2 2,-0.1 5,-0.2 -0.399 61.2-125.2 -56.8 129.6 47.2 -40.6 12.4 114 114 A P S S+ 0 0 126 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.887 100.7 68.3 -44.0 -50.7 47.9 -42.9 9.4 115 115 A D S > S- 0 0 53 1,-0.2 3,-1.2 2,-0.1 4,-0.3 -0.643 71.6-161.2 -74.8 115.2 48.1 -39.8 7.2 116 116 A A G > S+ 0 0 50 -2,-0.6 3,-1.7 1,-0.3 -1,-0.2 0.900 90.6 59.9 -65.7 -39.9 51.2 -37.8 8.1 117 117 A K G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.551 108.7 46.1 -63.9 -8.3 49.8 -34.7 6.4 118 118 A K G X S+ 0 0 46 -3,-1.2 3,-1.1 -5,-0.2 2,-0.4 0.417 83.5 123.6-110.9 -4.6 46.8 -34.9 8.8 119 119 A Q T < S- 0 0 55 -3,-1.7 -8,-0.2 -4,-0.3 3,-0.1 -0.459 88.3 -11.5 -73.6 116.8 48.8 -35.5 12.0 120 120 A G T 3 S+ 0 0 5 -11,-1.3 -1,-0.3 -10,-0.5 -9,-0.1 0.506 104.4 123.0 76.5 2.4 48.2 -33.0 14.8 121 121 A V < - 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