==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUN-12 4AWE . COMPND 2 MOLECULE: ENDO-BETA-D-1,4-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEUROSPORA SITOPHILA; . AUTHOR A.M.D.GONCALVES,C.S.SILVA,D.DE SANCTIS,I.BENTO . 381 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 3.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.9 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 3 1 0 1 1 0 1 1 0 1 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 2 2 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 . 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 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 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 5 A G 0 0 25 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.7 -4.4 15.2 -36.7 2 6 A F - 0 0 54 1,-0.0 11,-0.4 166,-0.0 2,-0.2 -0.730 360.0-114.6 -90.0 139.0 -5.7 12.0 -34.9 3 7 A V - 0 0 2 -2,-0.4 216,-0.3 166,-0.3 2,-0.2 -0.491 41.3-179.7 -66.7 137.9 -3.6 10.3 -32.3 4 8 A T E -A 11 0A 70 7,-2.6 7,-2.5 -2,-0.2 2,-0.4 -0.734 23.6-109.2-128.4 178.6 -2.5 6.8 -33.4 5 9 A T E -A 10 0A 50 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.883 20.4-175.5-113.3 150.1 -0.5 4.0 -31.9 6 10 A E E > -A 9 0A 94 3,-3.1 3,-1.8 -2,-0.4 284,-0.1 -0.907 65.6 -57.8-139.7 107.3 3.0 2.7 -32.9 7 11 A G T 3 S- 0 0 21 -2,-0.4 -1,-0.1 1,-0.3 279,-0.0 -0.323 122.1 -9.8 54.8-127.9 4.0 -0.4 -31.0 8 12 A D T 3 S+ 0 0 37 282,-0.2 284,-0.5 -3,-0.1 2,-0.3 0.246 129.8 51.7 -88.6 15.1 4.0 0.5 -27.3 9 13 A H E < S-A 6 0A 24 -3,-1.8 -3,-3.1 282,-0.2 2,-0.2 -0.880 79.9-101.4-143.2 174.3 3.5 4.2 -27.7 10 14 A F E -A 5 0A 0 324,-0.3 7,-2.7 -2,-0.3 2,-0.3 -0.622 24.5-155.8 -98.5 157.3 1.3 6.9 -29.3 11 15 A K E -AB 4 16A 34 -7,-2.5 -7,-2.6 5,-0.3 2,-0.4 -0.962 7.0-173.0-126.9 147.5 2.0 9.0 -32.4 12 16 A L E > S- B 0 15A 29 3,-2.9 3,-1.9 -2,-0.3 -9,-0.1 -0.943 71.6 -23.4-141.7 121.9 0.6 12.4 -33.4 13 17 A D T 3 S- 0 0 125 -11,-0.4 3,-0.1 -2,-0.4 -10,-0.1 0.848 128.2 -43.8 48.6 46.3 1.3 14.0 -36.8 14 18 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.402 121.3 95.5 87.9 -2.4 4.5 12.0 -37.5 15 19 A K E < S-B 12 0A 143 -3,-1.9 -3,-2.9 1,-0.0 -1,-0.2 -0.857 82.6 -95.2-121.2 154.7 6.0 12.5 -34.0 16 20 A D E -B 11 0A 45 364,-0.4 -5,-0.3 -2,-0.3 364,-0.0 -0.368 31.8-157.0 -58.9 145.0 6.1 10.4 -30.8 17 21 A F + 0 0 22 -7,-2.7 2,-0.2 -13,-0.1 -7,-0.2 -0.440 24.6 161.0-130.3 57.4 3.3 11.4 -28.4 18 22 A Y - 0 0 11 358,-0.2 2,-0.4 359,-0.1 317,-0.2 -0.574 29.1-164.0 -60.6 138.9 4.3 10.4 -25.0 19 23 A F E -c 335 0B 2 315,-1.1 317,-1.7 -2,-0.2 2,-0.5 -0.994 35.7-155.1-140.1 143.9 2.2 12.5 -22.7 20 24 A A E +c 336 0B 3 26,-0.4 28,-2.1 -2,-0.4 29,-0.6 -0.960 41.7 153.3 -98.9 128.2 1.7 13.7 -19.2 21 25 A G E -cd 337 49B 0 315,-2.8 317,-1.3 -2,-0.5 2,-0.3 -0.699 27.4-139.4-137.8-165.8 -2.0 14.4 -18.7 22 26 A S E -cd 338 50B 0 27,-1.9 29,-2.3 315,-0.3 2,-0.4 -0.958 17.9-105.2-154.9 168.2 -4.6 14.6 -16.0 23 27 A N E + d 0 51B 1 315,-2.0 318,-3.3 -2,-0.3 317,-0.4 -0.857 29.4 167.1 -98.4 136.9 -8.2 13.7 -15.1 24 28 A A > + 0 0 0 27,-2.9 3,-1.5 -2,-0.4 29,-0.2 -0.602 1.1 169.9-143.4 82.8 -10.9 16.3 -14.8 25 29 A Y T 3 S+ 0 0 18 1,-0.3 28,-0.5 27,-0.2 4,-0.1 0.760 73.9 66.2 -62.2 -22.3 -14.2 14.5 -14.6 26 30 A Y T > S+ 0 0 2 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.552 70.4 94.5 -82.7 -12.2 -16.0 17.7 -13.8 27 31 A F G X S+ 0 0 0 -3,-1.5 3,-2.3 1,-0.3 -1,-0.2 0.893 80.7 54.1 -48.2 -49.5 -15.4 19.5 -17.1 28 32 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.682 109.1 52.2 -64.2 -10.7 -18.8 18.6 -18.7 29 33 A F G < S+ 0 0 0 -3,-1.8 50,-1.3 -4,-0.1 2,-0.3 0.235 100.4 78.4-108.9 10.6 -20.5 20.0 -15.6 30 34 A N S < S- 0 0 3 -3,-2.3 2,-0.1 48,-0.2 71,-0.1 -0.757 89.6 -94.1-112.2 163.4 -18.7 23.4 -15.8 31 35 A D >> - 0 0 95 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.425 40.0-109.8 -70.9 153.0 -19.2 26.5 -18.0 32 36 A Q H 3> S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 115.5 55.2 -55.1 -42.1 -17.2 26.7 -21.1 33 37 A P H 3> S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.880 109.1 49.0 -61.5 -36.0 -14.9 29.6 -20.0 34 38 A D H <> S+ 0 0 10 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.907 111.6 48.4 -66.0 -44.0 -13.9 27.6 -16.9 35 39 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.951 114.0 46.8 -60.1 -47.7 -13.1 24.5 -19.0 36 40 A E H X S+ 0 0 46 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.889 112.3 49.5 -64.0 -40.5 -11.1 26.5 -21.4 37 41 A K H X S+ 0 0 103 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.935 112.1 48.0 -65.8 -45.3 -9.2 28.3 -18.6 38 42 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 113.1 48.7 -59.1 -44.6 -8.4 25.1 -16.8 39 43 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.871 109.9 51.9 -64.6 -35.9 -7.2 23.6 -20.1 40 44 A T H X S+ 0 0 72 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.925 111.2 46.6 -65.5 -43.9 -5.1 26.7 -20.9 41 45 A A H X S+ 0 0 16 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.899 113.3 50.0 -63.8 -41.5 -3.4 26.4 -17.4 42 46 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.936 110.6 48.0 -63.4 -48.3 -2.9 22.7 -18.0 43 47 A R H ><5S+ 0 0 116 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.899 108.8 55.5 -57.5 -42.6 -1.3 23.2 -21.4 44 48 A A H 3<5S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 105.5 52.5 -57.8 -34.5 0.9 25.9 -19.9 45 49 A A T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -3,-0.3 328,-0.2 0.511 127.3-101.3 -79.7 -7.0 2.1 23.4 -17.4 46 50 A G T < 5S+ 0 0 35 -3,-1.5 -26,-0.4 -4,-0.4 2,-0.3 0.460 75.5 140.5 99.3 5.1 3.0 21.0 -20.2 47 51 A L < + 0 0 2 -5,-2.4 -1,-0.3 -6,-0.2 -26,-0.2 -0.629 23.0 176.8 -81.0 137.6 -0.0 18.7 -19.9 48 52 A T + 0 0 19 -28,-2.1 64,-2.1 -2,-0.3 2,-0.4 0.524 56.6 51.7-120.0 -8.6 -1.4 17.6 -23.3 49 53 A V E -de 21 112B 0 -29,-0.6 -27,-1.9 62,-0.2 2,-0.4 -0.994 54.9-166.1-136.8 135.3 -4.2 15.1 -22.5 50 54 A F E -de 22 113B 0 62,-2.8 64,-2.5 -2,-0.4 2,-0.4 -0.976 8.8-152.9-114.9 143.3 -7.3 15.2 -20.3 51 55 A R E +de 23 114B 0 -29,-2.3 -27,-2.9 -2,-0.4 2,-0.3 -0.890 29.8 159.2-105.8 139.7 -9.5 12.4 -19.3 52 56 A T E - e 0 115B 0 62,-2.4 64,-2.2 -2,-0.4 2,-0.4 -0.941 42.1 -87.5-151.8 169.0 -13.1 13.2 -18.5 53 57 A W E - e 0 116B 10 -28,-0.5 64,-0.1 -2,-0.3 62,-0.1 -0.707 23.3-171.8 -82.6 134.6 -16.6 11.9 -18.2 54 58 A G + 0 0 0 62,-2.7 2,-0.3 -2,-0.4 -1,-0.1 -0.191 64.9 60.0-113.1 42.0 -18.8 11.7 -21.3 55 59 A F + 0 0 0 63,-0.0 2,-0.1 2,-0.0 63,-0.1 -0.981 40.9 175.3-159.7 157.4 -22.0 10.8 -19.5 56 60 A N - 0 0 2 -2,-0.3 28,-2.0 70,-0.0 27,-1.0 -0.518 21.7-169.7-169.6 107.0 -24.5 11.7 -16.9 57 61 A D E +j 84 0C 0 67,-2.5 2,-0.3 26,-0.2 28,-0.2 -0.853 13.1 160.3-111.1 128.2 -27.5 9.4 -16.6 58 62 A K E -j 85 0C 59 26,-2.4 28,-2.6 -2,-0.4 2,-0.2 -0.994 39.5-111.3-143.9 152.3 -30.6 10.1 -14.5 59 63 A N E -j 86 0C 27 -2,-0.3 28,-0.2 26,-0.2 3,-0.1 -0.563 28.8-127.6 -70.8 144.3 -34.2 9.1 -14.1 60 64 A R S S+ 0 0 108 26,-3.0 2,-0.6 1,-0.2 27,-0.1 0.866 105.7 43.4 -59.3 -36.6 -36.7 11.8 -15.1 61 65 A T S S- 0 0 105 25,-0.4 2,-0.3 2,-0.0 -1,-0.2 -0.951 89.2-139.3-114.3 113.0 -38.2 11.3 -11.6 62 66 A Y - 0 0 125 -2,-0.6 3,-0.1 -3,-0.1 -2,-0.0 -0.519 9.8-161.3 -69.2 128.6 -35.7 10.9 -8.8 63 67 A I > - 0 0 95 -2,-0.3 3,-2.6 1,-0.1 -4,-0.0 -0.950 7.8-154.5-110.5 106.8 -36.5 8.3 -6.2 64 68 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.821 96.7 42.6 -51.6 -36.0 -34.5 9.1 -3.0 65 69 A T T 3 S+ 0 0 133 -3,-0.1 4,-0.1 2,-0.1 -3,-0.0 0.252 100.8 103.7 -95.0 11.1 -34.5 5.5 -1.9 66 70 A G < - 0 0 24 -3,-2.6 -4,-0.0 2,-0.1 0, 0.0 -0.125 68.1 -68.5 -84.1-179.3 -33.8 4.2 -5.4 67 71 A L S S+ 0 0 64 2,-0.1 2,-0.1 61,-0.1 120,-0.1 -0.908 98.1 31.2-127.2 155.1 -30.7 2.8 -7.1 68 72 A P S S- 0 0 4 0, 0.0 2,-2.0 0, 0.0 119,-0.2 0.756 80.4-129.5 -72.9 166.6 -28.0 3.6 -8.0 69 73 A Q + 0 0 83 117,-2.6 53,-0.1 -2,-0.1 -2,-0.1 -0.484 42.8 168.0 -83.9 72.9 -27.4 6.3 -5.4 70 74 A Y + 0 0 17 -2,-2.0 53,-0.2 53,-0.1 2,-0.1 -0.358 32.6 61.9 -82.3 166.3 -26.4 9.1 -7.9 71 75 A G + 0 0 21 51,-0.2 54,-0.1 -2,-0.1 51,-0.0 -0.349 64.5 75.0 100.2 168.6 -26.1 12.7 -6.7 72 76 A N + 0 0 168 1,-0.2 51,-0.1 -2,-0.1 2,-0.0 0.689 63.2 166.5 61.9 21.8 -23.8 14.3 -4.1 73 77 A E > - 0 0 25 1,-0.1 3,-1.3 2,-0.1 -1,-0.2 -0.354 48.7-110.8 -67.1 149.1 -20.8 14.1 -6.4 74 78 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.1 2,-0.1 279,-0.1 0.869 117.9 35.2 -50.4 -47.5 -17.7 16.1 -5.4 75 79 A A T 3 S- 0 0 28 1,-0.3 -1,-0.3 277,-0.1 -2,-0.1 0.551 95.5-158.5 -81.1 -11.9 -18.1 18.7 -8.2 76 80 A G < - 0 0 25 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 -0.329 39.1 -76.2 57.3-144.8 -21.9 18.6 -8.2 77 81 A D > + 0 0 26 1,-0.1 3,-1.9 -4,-0.1 -1,-0.2 -0.535 51.3 175.2-147.8 74.2 -23.3 19.8 -11.5 78 82 A P T 3 S+ 0 0 74 0, 0.0 -48,-0.2 0, 0.0 -1,-0.1 0.813 84.2 41.5 -51.7 -39.8 -23.1 23.6 -11.6 79 83 A T T 3 S- 0 0 33 -50,-1.3 3,-0.1 2,-0.1 -49,-0.1 0.388 106.0-124.5 -92.1 1.7 -24.4 23.9 -15.2 80 84 A N < + 0 0 137 -3,-1.9 2,-0.7 -51,-0.2 -51,-0.1 0.890 47.1 171.3 52.7 42.3 -27.1 21.2 -14.7 81 85 A T + 0 0 11 -52,-0.1 2,-0.4 -53,-0.1 -1,-0.2 -0.771 6.8 170.2 -84.8 115.7 -25.7 19.3 -17.7 82 86 A V - 0 0 22 -2,-0.7 3,-0.1 -3,-0.1 -25,-0.1 -0.998 15.9-169.4-126.5 126.4 -27.5 15.9 -17.9 83 87 A F S S+ 0 0 1 -27,-1.0 12,-2.3 -2,-0.4 2,-0.4 0.749 71.0 28.7 -90.5 -24.1 -26.8 13.8 -21.1 84 88 A Q E -jK 57 94C 0 -28,-2.0 -26,-2.4 10,-0.2 2,-0.4 -0.956 59.7-168.0-147.3 120.5 -29.4 11.1 -20.7 85 89 A W E -jK 58 93C 68 8,-2.4 8,-3.1 -2,-0.4 2,-0.7 -0.900 14.4-146.5-104.5 134.1 -32.8 11.0 -19.1 86 90 A F E -jK 59 92C 2 -28,-2.6 -26,-3.0 -2,-0.4 -25,-0.4 -0.904 23.9-144.8 -97.2 116.7 -34.6 7.8 -18.4 87 91 A E > - 0 0 45 4,-3.1 3,-2.5 -2,-0.7 -26,-0.0 -0.155 31.8 -87.0 -75.6 175.0 -38.3 8.5 -18.8 88 92 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.800 130.3 45.2 -51.1 -37.5 -41.2 6.9 -16.8 89 93 A D T 3 S- 0 0 122 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.297 123.1-103.6 -92.5 7.3 -41.4 3.9 -19.2 90 94 A G S < S+ 0 0 7 -3,-2.5 -2,-0.1 1,-0.3 43,-0.1 0.376 73.2 143.3 89.9 -4.4 -37.7 3.5 -19.3 91 95 A T - 0 0 74 -5,-0.1 -4,-3.1 1,-0.1 2,-0.5 -0.347 49.9-118.3 -68.5 150.7 -37.1 5.1 -22.7 92 96 A Q E -K 86 0C 32 -6,-0.2 2,-0.6 -8,-0.0 -6,-0.2 -0.813 18.3-164.0 -99.3 128.2 -33.9 7.1 -23.1 93 97 A T E -K 85 0C 61 -8,-3.1 -8,-2.4 -2,-0.5 2,-0.4 -0.943 23.8-173.8-108.4 105.7 -34.0 10.8 -23.9 94 98 A I E +K 84 0C 50 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.852 22.4 160.8-112.0 135.0 -30.4 11.6 -25.1 95 99 A D + 0 0 92 -12,-2.3 -13,-0.1 -2,-0.4 4,-0.0 -0.761 3.2 169.6-150.0 104.0 -28.7 14.9 -26.0 96 100 A V > + 0 0 8 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 0.444 51.1 104.6 -92.4 0.6 -25.0 15.0 -26.0 97 101 A S G > + 0 0 35 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.800 68.4 66.0 -56.4 -32.0 -24.7 18.4 -27.6 98 102 A P G > S+ 0 0 49 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.736 84.3 75.4 -63.6 -16.4 -23.8 20.2 -24.3 99 103 A F G X> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.3 3,-1.3 0.656 72.0 87.4 -66.3 -11.3 -20.5 18.2 -24.5 100 104 A D H <> S+ 0 0 42 -3,-2.3 4,-3.1 1,-0.3 5,-0.4 0.828 76.8 64.2 -54.6 -34.5 -19.5 20.7 -27.2 101 105 A K H <> S+ 0 0 22 -3,-1.5 4,-1.2 -4,-0.2 -1,-0.3 0.869 107.0 42.3 -61.1 -32.1 -18.2 22.9 -24.4 102 106 A V H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.3 -2,-0.2 0.946 118.5 42.0 -76.7 -51.4 -15.6 20.3 -23.6 103 107 A V H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.921 115.2 50.8 -63.0 -44.9 -14.6 19.3 -27.1 104 108 A D H X S+ 0 0 75 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.889 110.4 49.9 -61.5 -39.9 -14.6 22.9 -28.3 105 109 A S H X S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.4 6,-0.3 0.892 110.5 49.8 -64.5 -40.3 -12.3 23.9 -25.4 106 110 A A H X>S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 5,-1.2 0.926 110.7 50.3 -63.3 -44.0 -9.9 21.1 -26.2 107 111 A T H <5S+ 0 0 89 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.926 111.9 48.0 -58.9 -44.0 -9.8 22.1 -29.8 108 112 A K H <5S+ 0 0 152 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 119.1 37.7 -65.0 -40.2 -9.1 25.7 -28.9 109 113 A T H <5S- 0 0 18 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.493 108.6-115.1 -94.6 -4.9 -6.3 24.8 -26.4 110 114 A G T <5 + 0 0 32 -4,-1.4 -3,-0.2 -3,-0.4 2,-0.2 0.523 65.3 147.2 80.6 7.5 -4.7 21.9 -28.3 111 115 A I < - 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