==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-09 2WHL . COMPND 2 MOLECULE: BETA-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AGARADHAERENS; . AUTHOR L.E.TAILFORD,V.M.A.DUCROS,J.E.FLINT,S.M.ROBERTS,C.MORLAND, . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.3 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 . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 1 0 1 1 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 3 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 4 A G 0 0 58 0, 0.0 114,-0.3 0, 0.0 113,-0.1 0.000 360.0 360.0 360.0-141.1 8.3 16.9 22.7 2 5 A F - 0 0 4 112,-2.1 2,-0.3 115,-0.2 9,-0.2 -0.348 360.0-172.4 -58.2 147.9 6.7 19.0 20.0 3 6 A S E -A 10 0A 51 7,-2.1 7,-3.5 150,-0.1 2,-0.4 -0.992 15.8-141.0-146.4 155.9 4.8 17.1 17.3 4 7 A V E +A 9 0A 12 178,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.925 16.6 175.0-118.7 131.8 3.1 18.0 14.0 5 8 A D E > -A 8 0A 120 3,-2.4 3,-1.7 -2,-0.4 208,-0.1 -0.933 66.9 -46.7-137.7 115.9 -0.2 16.6 12.7 6 9 A G T 3 S- 0 0 25 -2,-0.4 208,-0.3 1,-0.2 -1,-0.0 -0.364 122.9 -18.5 55.6-133.5 -1.5 18.1 9.5 7 10 A N T 3 S+ 0 0 66 206,-0.2 208,-0.5 202,-0.1 2,-0.4 0.236 119.2 91.9 -90.4 17.7 -1.3 21.9 9.7 8 11 A T E < -A 5 0A 41 -3,-1.7 -3,-2.4 206,-0.1 2,-0.5 -0.923 59.8-151.3-116.2 137.5 -1.0 22.1 13.5 9 12 A L E -A 4 0A 9 -2,-0.4 8,-2.9 8,-0.4 2,-0.4 -0.897 20.8-159.9 -97.0 131.8 2.1 22.1 15.8 10 13 A Y E -AB 3 16A 62 -7,-3.5 -7,-2.1 -2,-0.5 5,-0.0 -0.906 9.7-133.7-118.1 135.0 1.4 20.6 19.2 11 14 A D > - 0 0 3 4,-2.7 3,-2.1 -2,-0.4 105,-0.1 -0.157 43.8 -86.6 -73.9 178.1 3.3 21.1 22.4 12 15 A A T 3 S+ 0 0 50 103,-0.3 -1,-0.1 1,-0.3 -10,-0.1 0.661 130.9 56.4 -66.5 -17.4 4.4 18.2 24.7 13 16 A N T 3 S- 0 0 97 2,-0.2 -1,-0.3 3,-0.0 -11,-0.1 0.254 121.3-109.5 -89.7 6.7 1.0 18.5 26.5 14 17 A G S < S+ 0 0 41 -3,-2.1 -2,-0.1 1,-0.3 3,-0.0 0.549 73.9 140.2 75.6 11.8 -0.7 18.0 23.1 15 18 A Q - 0 0 96 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.3 -0.738 61.0-106.3 -92.2 130.6 -1.9 21.6 23.1 16 19 A P B -B 10 0A 78 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.211 35.3-153.4 -50.4 139.6 -1.8 23.5 19.7 17 20 A F - 0 0 13 -8,-2.9 2,-0.6 224,-0.1 -8,-0.4 -0.980 10.5-167.7-125.3 122.6 1.0 26.0 19.8 18 21 A V - 0 0 51 -2,-0.5 271,-0.4 271,-0.2 224,-0.1 -0.932 24.6-129.6-115.8 106.0 0.9 29.1 17.6 19 22 A M + 0 0 2 -2,-0.6 225,-2.4 222,-0.1 2,-0.3 -0.355 31.9 169.8 -59.9 132.2 4.3 30.9 17.4 20 23 A R E +c 244 0B 1 223,-0.2 26,-2.7 269,-0.1 27,-0.7 -0.902 36.8 101.8-142.5 102.7 4.2 34.6 18.2 21 24 A G E -cd 245 47B 0 223,-1.9 225,-2.5 -2,-0.3 2,-0.3 -0.779 56.4 -87.8-163.8-158.7 7.7 35.9 18.6 22 25 A I E -cd 246 48B 1 25,-1.4 27,-2.2 223,-0.3 2,-0.4 -0.985 23.6-125.4-146.1 135.6 11.0 37.6 17.5 23 26 A N E - d 0 49B 0 223,-2.7 226,-2.9 -2,-0.3 2,-0.4 -0.742 23.5-163.5 -80.6 139.5 14.2 36.9 15.7 24 27 A H E - d 0 50B 0 25,-2.8 27,-2.5 -2,-0.4 2,-2.1 -0.989 19.3-138.7-129.8 122.3 17.4 37.7 17.6 25 28 A G >> + 0 0 2 225,-0.5 3,-1.5 -2,-0.4 4,-0.7 -0.294 42.2 154.7 -74.9 51.4 20.8 38.0 15.8 26 29 A H G >4 + 0 0 0 -2,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.877 61.5 65.2 -46.2 -49.4 22.7 36.2 18.5 27 30 A A G 34 S+ 0 0 4 24,-1.6 3,-0.4 -3,-0.3 32,-0.3 0.808 109.4 38.3 -51.5 -32.2 25.5 34.9 16.2 28 31 A W G <4 S+ 0 0 87 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.502 127.5 33.3 -98.1 -6.7 26.7 38.5 15.5 29 32 A Y X< + 0 0 79 -3,-1.6 3,-2.0 -4,-0.7 -1,-0.2 -0.445 69.6 161.4-144.6 57.3 26.1 39.9 19.0 30 33 A K G > + 0 0 36 -3,-0.4 3,-1.1 1,-0.3 -3,-0.1 0.798 69.5 59.1 -60.3 -31.6 26.9 36.9 21.2 31 34 A D G 3 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.477 91.3 69.5 -80.4 0.8 27.5 38.9 24.4 32 35 A T G X> + 0 0 12 -3,-2.0 4,-3.7 -6,-0.2 3,-1.7 0.443 68.4 103.7 -90.3 -5.8 24.0 40.4 24.4 33 36 A A H <> S+ 0 0 1 -3,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.875 77.2 48.9 -49.2 -46.9 22.3 37.1 25.2 34 37 A S H 34 S+ 0 0 82 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.603 122.9 34.6 -75.5 -13.8 21.5 37.7 28.9 35 38 A T H <> S+ 0 0 64 -3,-1.7 4,-1.8 3,-0.1 -2,-0.2 0.780 121.0 44.0-100.1 -50.4 20.0 41.1 28.1 36 39 A A H X S+ 0 0 0 -4,-3.7 4,-2.3 2,-0.2 5,-0.2 0.884 111.3 50.2 -67.1 -43.3 18.4 40.5 24.7 37 40 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.4 -1,-0.2 0.966 114.7 42.2 -69.2 -49.3 16.7 37.1 25.4 38 41 A P H > S+ 0 0 23 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.906 112.8 55.4 -62.5 -34.7 15.0 38.1 28.6 39 42 A A H X S+ 0 0 2 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.893 106.1 51.3 -62.4 -40.0 14.0 41.5 27.0 40 43 A I H ><>S+ 0 0 0 -4,-2.3 5,-1.3 1,-0.2 3,-1.1 0.932 108.9 51.0 -61.5 -44.5 12.3 39.6 24.1 41 44 A A H ><5S+ 0 0 20 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.894 101.6 62.3 -60.6 -37.9 10.3 37.5 26.7 42 45 A E H 3<5S+ 0 0 122 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.732 96.2 60.3 -62.6 -21.9 9.3 40.7 28.5 43 46 A Q T <<5S- 0 0 15 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.589 123.6-103.8 -82.4 -4.4 7.5 41.7 25.2 44 47 A G T < 5 + 0 0 25 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.408 64.1 159.3 95.6 9.6 5.3 38.7 25.5 45 48 A A < - 0 0 7 -5,-1.3 -1,-0.3 1,-0.2 -24,-0.2 -0.371 27.8-164.8 -62.4 133.9 7.0 36.6 22.8 46 49 A N S S+ 0 0 4 -26,-2.7 33,-2.2 1,-0.2 245,-0.3 0.469 76.2 33.7 -93.3 -6.1 6.2 32.9 23.2 47 50 A T E -de 21 79B 0 -27,-0.7 -25,-1.4 31,-0.3 2,-0.4 -0.985 63.0-159.8-151.3 138.2 9.1 31.9 20.8 48 51 A I E -de 22 80B 0 31,-2.7 33,-2.9 -2,-0.3 2,-0.7 -0.997 12.6-147.0-118.3 133.1 12.5 33.3 20.0 49 52 A R E -de 23 81B 0 -27,-2.2 -25,-2.8 -2,-0.4 2,-0.6 -0.898 20.0-155.0-100.3 118.6 14.3 32.5 16.8 50 53 A I E -de 24 82B 0 31,-2.6 33,-1.9 -2,-0.7 2,-0.5 -0.875 7.3-138.6-105.3 114.9 18.0 32.4 17.6 51 54 A V E - e 0 83B 0 -27,-2.5 -24,-1.6 -2,-0.6 2,-0.3 -0.617 28.4-179.1 -72.9 115.2 20.5 33.0 14.8 52 55 A L E - e 0 84B 0 31,-2.7 33,-2.4 -2,-0.5 2,-0.4 -0.878 18.5-138.8-112.2 156.8 23.5 30.7 15.1 53 56 A S - 0 0 0 -2,-0.3 8,-2.8 6,-0.3 31,-0.1 -0.938 9.8-163.4-110.6 133.0 26.7 30.3 13.0 54 57 A D - 0 0 5 -2,-0.4 6,-0.2 6,-0.2 -1,-0.1 0.190 60.1-100.0 -90.0 11.6 28.2 27.0 12.0 55 58 A G S S+ 0 0 29 4,-0.1 5,-0.1 1,-0.0 -2,-0.0 0.378 95.2 115.4 85.7 -5.3 31.5 29.0 11.2 56 59 A G S S- 0 0 36 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.922 100.4 -5.5 -60.6 -49.0 30.8 29.1 7.4 57 60 A Q S S+ 0 0 80 2,-0.0 2,-0.2 1,-0.0 -1,-0.1 0.649 134.2 26.5-115.0 -30.2 30.4 32.9 7.2 58 61 A W S S- 0 0 87 1,-0.0 2,-0.5 -6,-0.0 -30,-0.1 -0.550 102.8 -52.6-126.4-173.3 30.6 34.1 10.9 59 62 A E - 0 0 140 -32,-0.3 -6,-0.3 -2,-0.2 -4,-0.1 -0.593 65.0-112.1 -71.6 118.6 32.1 33.1 14.3 60 63 A K - 0 0 81 -2,-0.5 2,-0.8 -6,-0.2 -6,-0.2 -0.136 20.6-131.4 -51.4 133.9 31.0 29.5 15.1 61 64 A D - 0 0 0 -8,-2.8 -1,-0.1 -3,-0.1 -34,-0.0 -0.839 29.7-145.7 -88.3 115.5 28.6 29.2 18.0 62 65 A D > - 0 0 85 -2,-0.8 4,-2.5 1,-0.1 3,-0.4 -0.158 25.7 -94.8 -80.0 174.1 30.1 26.4 20.2 63 66 A I H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.852 122.9 51.6 -62.0 -34.8 28.2 23.8 22.3 64 67 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.832 109.2 50.6 -69.9 -34.7 28.4 25.9 25.5 65 68 A T H > S+ 0 0 26 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.908 109.1 51.2 -70.6 -43.2 26.9 28.9 23.8 66 69 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.957 111.3 48.2 -55.5 -51.1 24.1 26.8 22.4 67 70 A R H X S+ 0 0 102 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.950 111.4 51.6 -57.5 -39.9 23.3 25.5 25.9 68 71 A E H X S+ 0 0 82 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 112.3 42.9 -63.2 -49.6 23.4 29.0 27.3 69 72 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.907 113.4 51.2 -71.7 -41.2 21.0 30.6 24.8 70 73 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.974 111.4 48.9 -53.9 -51.4 18.5 27.7 24.9 71 74 A E H X S+ 0 0 68 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.908 108.6 52.5 -66.4 -39.3 18.5 27.8 28.7 72 75 A L H < S+ 0 0 39 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.901 112.1 47.4 -59.5 -41.0 17.9 31.6 28.7 73 76 A A H ><>S+ 0 0 1 -4,-2.2 5,-2.3 -3,-0.2 3,-1.6 0.972 115.1 41.5 -63.3 -58.5 14.9 31.1 26.4 74 77 A E H ><5S+ 0 0 27 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.897 111.8 56.3 -68.3 -29.0 13.2 28.2 28.3 75 78 A Q T 3<5S+ 0 0 131 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.434 107.8 49.7 -81.1 -5.2 13.9 29.9 31.7 76 79 A N T < 5S- 0 0 55 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.073 125.1-105.3-108.9 21.3 12.0 32.9 30.3 77 80 A K T < 5S+ 0 0 131 -3,-1.8 2,-0.4 1,-0.2 214,-0.3 0.766 78.8 128.4 65.1 36.4 9.1 30.7 29.2 78 81 A M < - 0 0 1 -5,-2.3 -31,-0.3 -6,-0.1 2,-0.2 -0.953 59.6-125.5-118.2 142.0 10.0 30.8 25.5 79 82 A V E -e 47 0B 0 -33,-2.2 -31,-2.7 -2,-0.4 2,-0.5 -0.582 28.0-135.0 -73.9 142.1 10.4 28.1 22.9 80 83 A A E -ef 48 117B 0 36,-2.4 38,-2.5 -2,-0.2 2,-0.8 -0.924 14.0-166.0-104.7 113.9 13.8 28.4 21.1 81 84 A V E -ef 49 118B 0 -33,-2.9 -31,-2.6 -2,-0.5 2,-0.3 -0.944 19.9-160.4 -95.7 107.8 13.7 28.0 17.3 82 85 A V E +ef 50 119B 0 36,-2.0 38,-3.0 -2,-0.8 2,-0.3 -0.699 13.3 179.2 -90.2 142.3 17.5 27.5 16.7 83 86 A E E -ef 51 120B 0 -33,-1.9 -31,-2.7 -2,-0.3 2,-0.5 -0.998 29.8-133.4-146.2 144.4 18.7 28.1 13.2 84 87 A V E -e 52 0B 0 36,-0.9 39,-2.6 -2,-0.3 3,-0.3 -0.878 20.3-173.7 -95.7 128.1 22.0 28.0 11.3 85 88 A H > + 0 0 16 -33,-2.4 3,-1.6 -2,-0.5 -32,-0.1 0.526 59.0 91.7-101.7 -7.6 22.4 31.2 9.1 86 89 A D T 3 S+ 0 0 3 -34,-0.3 -1,-0.2 1,-0.3 -33,-0.1 0.615 83.3 55.2 -76.3 -8.5 25.6 30.5 7.1 87 90 A A T > S+ 0 0 0 -3,-0.3 3,-2.2 36,-0.1 39,-0.4 0.326 75.3 150.1-102.2 7.8 23.8 28.9 4.1 88 91 A T T < S- 0 0 24 -3,-1.6 37,-0.2 1,-0.3 36,-0.2 -0.171 76.8 -9.5 -52.1 120.2 21.5 31.9 3.5 89 92 A G T 3 S+ 0 0 14 35,-3.0 38,-0.7 1,-0.2 2,-0.3 0.302 99.8 135.2 76.8 -6.0 20.6 32.2 -0.2 90 93 A R < - 0 0 96 -3,-2.2 36,-2.6 36,-0.2 -1,-0.2 -0.553 40.9-165.1 -80.6 137.0 23.2 29.5 -1.3 91 94 A D + 0 0 60 -2,-0.3 -1,-0.1 35,-0.2 2,-0.1 0.693 56.0 109.6 -84.9 -25.1 22.1 26.8 -3.8 92 95 A S >> - 0 0 57 1,-0.2 4,-0.9 2,-0.0 3,-0.9 -0.354 65.5-142.8 -62.6 131.8 25.1 24.6 -3.1 93 96 A R H 3> S+ 0 0 90 1,-0.2 4,-3.0 2,-0.2 3,-0.2 0.800 97.2 70.4 -58.9 -29.5 24.4 21.3 -1.3 94 97 A S H 3> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 96.2 52.0 -61.3 -36.2 27.8 21.7 0.6 95 98 A D H <> S+ 0 0 26 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.864 111.2 45.6 -66.5 -38.6 26.3 24.7 2.6 96 99 A L H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.2 -2,-0.2 0.915 112.0 53.5 -68.4 -43.5 23.2 22.6 3.7 97 100 A N H X S+ 0 0 54 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.884 105.8 53.3 -57.2 -42.0 25.6 19.7 4.5 98 101 A R H X S+ 0 0 116 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.896 109.2 47.8 -60.5 -41.0 27.6 21.9 6.7 99 102 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.916 111.2 51.3 -65.4 -43.7 24.6 23.0 8.7 100 103 A V H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.946 109.1 50.9 -60.0 -47.2 23.4 19.4 9.0 101 104 A D H X S+ 0 0 102 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.874 107.2 55.3 -56.7 -41.3 26.9 18.4 10.4 102 105 A Y H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.944 106.0 49.3 -56.6 -49.0 26.7 21.2 12.9 103 106 A W H < S+ 0 0 0 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.942 114.0 47.1 -57.4 -44.3 23.4 20.0 14.3 104 107 A I H >< S+ 0 0 55 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.925 111.4 50.4 -63.5 -46.4 24.9 16.5 14.6 105 108 A E H 3< S+ 0 0 109 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.893 116.8 41.7 -54.8 -36.2 28.1 17.8 16.2 106 109 A M T >X S+ 0 0 5 -4,-2.6 3,-2.1 1,-0.2 4,-0.5 0.287 78.5 117.2-101.4 14.3 26.0 19.8 18.7 107 110 A K H X> + 0 0 67 -3,-1.2 4,-3.1 1,-0.3 3,-1.2 0.744 64.7 65.5 -57.9 -30.4 23.4 17.1 19.4 108 111 A D H 34 S+ 0 0 109 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.723 100.7 52.0 -69.6 -18.1 24.3 16.7 23.1 109 112 A A H <4 S+ 0 0 6 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.639 119.1 36.2 -80.0 -19.3 23.1 20.3 23.7 110 113 A L H X< S+ 0 0 0 -3,-1.2 3,-2.3 -4,-0.5 -2,-0.2 0.783 89.0 96.1-106.0 -39.7 19.7 19.5 21.9 111 114 A I T 3< S+ 0 0 72 -4,-3.1 39,-0.1 1,-0.3 38,-0.0 -0.343 93.0 24.9 -61.0 133.8 18.8 15.9 22.9 112 115 A G T 3 S+ 0 0 53 -2,-0.0 -1,-0.3 0, 0.0 3,-0.2 0.347 104.7 84.1 91.5 -6.7 16.4 16.0 25.8 113 116 A K X> + 0 0 55 -3,-2.3 3,-1.9 1,-0.1 4,-1.6 0.030 47.8 120.4-112.6 24.1 15.2 19.5 25.0 114 117 A E T 34 S+ 0 0 31 1,-0.3 -112,-2.1 2,-0.2 39,-0.3 0.667 70.3 58.2 -72.1 -13.6 12.6 18.4 22.4 115 118 A D T 34 S+ 0 0 55 -114,-0.3 -103,-0.3 -3,-0.2 -1,-0.3 0.553 120.3 26.1 -90.1 -6.9 9.7 20.0 24.5 116 119 A T T <4 S+ 0 0 4 -3,-1.9 -36,-2.4 1,-0.2 2,-0.4 0.452 113.2 63.2-131.0 -2.7 11.3 23.5 24.3 117 120 A V E < -f 80 0B 0 -4,-1.6 2,-0.4 -38,-0.2 36,-0.3 -0.990 50.8-169.6-135.4 135.0 13.5 23.6 21.2 118 121 A I E -f 81 0B 0 -38,-2.5 -36,-2.0 -2,-0.4 2,-0.7 -0.955 22.4-133.4-121.6 137.5 12.6 23.3 17.5 119 122 A I E -fg 82 154B 0 34,-2.2 36,-2.7 -2,-0.4 2,-0.9 -0.851 10.3-163.1-104.7 109.7 15.4 23.0 14.9 120 123 A N E -fg 83 155B 0 -38,-3.0 -36,-0.9 -2,-0.7 3,-0.2 -0.826 19.6-147.7 -87.0 103.6 15.2 25.2 11.8 121 124 A I - 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