==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-04 1TVP . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR S.VIOLOT,R.HASER,N.AGHAJARI . 584 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.6 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 1 1 0 0 0 0 3 4 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 2 4 0 2 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 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 2 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 0 117 0, 0.0 2,-0.2 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 157.4 87.8 44.7 57.7 2 2 A V - 0 0 22 91,-0.1 124,-0.1 1,-0.1 2,-0.1 -0.693 360.0 -94.3-105.3 160.5 85.1 42.2 56.7 3 3 A E - 0 0 120 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.395 43.6 -99.6 -74.5 153.0 85.6 38.7 55.3 4 4 A K - 0 0 105 -2,-0.1 11,-2.8 10,-0.1 12,-0.5 -0.523 34.8-136.2 -73.6 134.2 85.7 38.0 51.6 5 5 A L E +A 14 0A 13 121,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.809 33.5 160.0 -96.8 128.9 82.4 36.6 50.2 6 6 A T E -A 13 0A 49 7,-2.2 7,-3.2 -2,-0.5 2,-0.4 -0.895 33.0-120.4-138.7 169.1 82.6 33.7 47.8 7 7 A V E +A 12 0A 34 -2,-0.3 181,-0.4 5,-0.2 2,-0.4 -0.958 25.7 171.0-121.0 133.8 80.2 31.0 46.5 8 8 A S E > -A 11 0A 69 3,-2.6 3,-1.9 -2,-0.4 2,-0.1 -0.943 69.5 -39.1-139.6 113.0 80.6 27.3 46.8 9 9 A G T 3 S- 0 0 56 -2,-0.4 208,-0.3 1,-0.3 203,-0.0 -0.464 123.6 -28.2 67.2-138.7 77.7 25.1 45.8 10 10 A N T 3 S+ 0 0 54 206,-0.2 208,-0.5 -2,-0.1 2,-0.4 0.174 120.8 99.1 -95.5 19.3 74.5 26.8 47.0 11 11 A Q E < -A 8 0A 77 -3,-1.9 -3,-2.6 206,-0.2 2,-0.6 -0.863 63.7-145.6-113.7 142.6 76.4 28.5 49.9 12 12 A I E -A 7 0A 9 238,-0.4 7,-0.8 -2,-0.4 2,-0.4 -0.883 26.6-157.5-100.7 122.6 77.8 32.0 50.3 13 13 A L E -AB 6 18A 25 -7,-3.2 -7,-2.2 -2,-0.6 2,-0.6 -0.848 11.8-154.6-106.4 144.8 81.0 31.7 52.3 14 14 A A E > S-AB 5 17A 10 3,-2.5 3,-1.7 -2,-0.4 -9,-0.2 -0.974 87.9 -16.8-117.0 111.6 82.6 34.5 54.3 15 15 A G T 3 S- 0 0 36 -11,-2.8 -1,-0.1 -2,-0.6 -10,-0.1 0.861 130.6 -55.0 62.6 29.3 86.3 33.9 54.7 16 16 A G T 3 S+ 0 0 52 -12,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.433 116.2 109.0 83.9 -0.6 85.6 30.3 53.7 17 17 A E E < S-B 14 0A 146 -3,-1.7 -3,-2.5 1,-0.0 2,-0.3 -0.850 73.9-106.9-115.4 150.7 83.0 29.6 56.4 18 18 A N E +B 13 0A 83 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.539 63.7 119.6 -71.7 123.9 79.2 29.2 56.3 19 19 A T - 0 0 49 -7,-0.8 2,-0.3 -2,-0.3 -7,-0.2 -0.964 42.3-139.0-170.7 174.0 77.4 32.2 57.7 20 20 A S - 0 0 7 -2,-0.3 2,-0.3 231,-0.1 231,-0.1 -0.985 7.7-143.5-147.4 161.0 74.9 35.0 56.9 21 21 A F - 0 0 36 -2,-0.3 232,-2.2 229,-0.1 2,-0.4 -0.901 7.5-159.3-128.2 152.1 74.4 38.7 57.5 22 22 A A E +c 253 0B 1 -2,-0.3 32,-2.2 230,-0.2 33,-0.6 -0.978 23.4 134.5-133.7 146.6 71.4 40.9 58.1 23 23 A G E -c 254 0B 0 230,-1.7 232,-2.0 -2,-0.4 2,-0.2 -0.967 47.7 -77.1-170.0 178.9 70.8 44.6 57.7 24 24 A P E -c 255 0B 0 0, 0.0 33,-1.9 0, 0.0 2,-0.5 -0.624 30.6-138.4 -94.3 153.3 68.4 47.3 56.4 25 25 A S E -cd 256 57B 0 230,-3.2 233,-2.8 -2,-0.2 232,-0.6 -0.931 20.9-130.0-108.1 134.1 67.8 48.4 52.8 26 26 A L E -c 258 0B 0 31,-2.9 233,-0.2 -2,-0.5 3,-0.1 -0.450 28.6-109.6 -76.6 159.2 67.5 52.1 52.2 27 27 A F - 0 0 8 231,-1.2 32,-0.4 1,-0.2 -1,-0.1 -0.238 63.2 -45.8 -80.0 174.1 64.5 53.2 50.1 28 28 A W - 0 0 22 1,-0.2 7,-0.3 32,-0.1 -1,-0.2 -0.113 48.6-144.2 -41.5 132.4 64.9 54.5 46.6 29 29 A S + 0 0 0 30,-2.2 -1,-0.2 -3,-0.1 31,-0.1 0.591 51.1 142.4 -80.5 -8.4 67.7 57.1 46.5 30 30 A N > - 0 0 0 29,-0.2 3,-1.8 1,-0.1 5,-0.4 0.097 60.0-108.1 -40.3 135.5 65.8 59.2 43.9 31 31 A T T 3 S+ 0 0 48 37,-2.0 -1,-0.1 1,-0.3 -2,-0.0 -0.441 106.3 16.9 -66.0 128.8 65.8 63.0 44.0 32 32 A G T 3 S+ 0 0 51 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.316 95.6 103.3 89.8 -7.1 62.4 64.2 45.2 33 33 A W S < S- 0 0 28 -3,-1.8 -2,-0.1 35,-0.1 -3,-0.1 0.344 88.4-118.8 -89.8 6.0 61.3 60.8 46.7 34 34 A G S S+ 0 0 35 -4,-0.2 226,-0.2 -5,-0.1 3,-0.1 0.390 94.0 87.3 76.0 -1.5 61.9 61.8 50.3 35 35 A A > + 0 0 0 -5,-0.4 3,-2.1 -7,-0.3 4,-0.4 0.439 56.1 93.7-107.0 -2.5 64.5 59.2 51.3 36 36 A E G > S+ 0 0 51 -6,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.881 77.6 67.0 -55.0 -37.6 67.7 61.1 50.1 37 37 A K G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.649 93.5 59.4 -57.8 -18.0 67.9 62.4 53.7 38 38 A F G < S+ 0 0 12 -3,-2.1 2,-2.2 1,-0.2 -1,-0.3 0.621 77.4 92.1 -88.4 -14.1 68.7 58.8 54.9 39 39 A Y < + 0 0 7 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.2 -0.453 65.5 121.9 -81.5 69.7 71.8 58.4 52.7 40 40 A T S > S- 0 0 51 -2,-2.2 4,-1.6 43,-0.1 5,-0.1 -0.887 74.7-119.2-131.9 161.1 74.2 59.6 55.4 41 41 A A H > S+ 0 0 54 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.878 115.5 56.8 -64.8 -35.4 77.3 58.4 57.3 42 42 A E H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.892 104.1 52.1 -63.9 -39.4 75.3 58.8 60.5 43 43 A T H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 109.9 48.6 -64.4 -39.2 72.5 56.5 59.2 44 44 A V H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.950 112.8 48.1 -66.2 -45.1 75.1 53.8 58.4 45 45 A A H X S+ 0 0 18 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.902 113.1 48.4 -60.8 -43.4 76.7 54.2 61.8 46 46 A K H X>S+ 0 0 63 -4,-2.7 4,-2.6 1,-0.2 5,-0.6 0.794 101.8 61.3 -69.1 -29.8 73.3 54.0 63.5 47 47 A A H X5S+ 0 0 0 -4,-1.9 6,-2.0 3,-0.2 4,-1.3 0.907 111.3 43.4 -63.7 -34.8 72.2 50.9 61.6 48 48 A K H X5S+ 0 0 74 -4,-1.4 4,-1.4 4,-0.2 -2,-0.2 0.953 120.2 37.0 -74.7 -51.6 75.2 49.2 63.3 49 49 A T H <5S+ 0 0 88 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.882 125.4 38.6 -71.9 -35.5 74.8 50.5 66.9 50 50 A E H <5S+ 0 0 61 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.879 134.9 16.6 -81.6 -42.4 71.0 50.5 66.9 51 51 A F H < - 0 0 0 -2,-0.4 3,-1.4 3,-0.1 6,-0.3 -0.485 49.7-137.8 163.4 123.4 64.6 54.2 35.2 64 64 A T T 3 S+ 0 0 65 1,-0.3 -1,-0.1 -2,-0.2 43,-0.0 0.739 116.9 24.8 -62.7 -24.9 64.4 56.0 31.9 65 65 A S T 3 S+ 0 0 38 2,-0.1 2,-0.7 -3,-0.1 391,-0.4 -0.095 97.9 109.9-128.0 26.8 60.9 57.2 32.9 66 66 A T S X S- 0 0 20 -3,-1.4 3,-1.6 388,-0.1 6,-0.2 -0.941 73.8-119.4-108.8 108.0 61.4 57.0 36.7 67 67 A G T 3 S+ 0 0 4 386,-2.4 385,-0.1 -2,-0.7 3,-0.1 -0.142 88.6 6.5 -50.1 136.4 61.5 60.4 38.2 68 68 A G T 3 S+ 0 0 13 1,-0.2 -37,-2.0 -38,-0.1 -1,-0.2 0.564 97.0 135.9 67.5 12.3 64.7 61.5 40.0 69 69 A S S X> S- 0 0 0 -3,-1.6 4,-2.9 -6,-0.3 3,-1.6 -0.055 78.9 -82.0 -79.4-174.7 66.6 58.3 39.0 70 70 A L T 34 S+ 0 0 4 -9,-2.6 -8,-0.1 1,-0.3 4,-0.1 0.807 130.2 62.4 -58.3 -28.9 70.1 58.0 37.8 71 71 A N T 34 S+ 0 0 57 -8,-0.3 -1,-0.3 -5,-0.2 3,-0.2 0.715 115.5 28.6 -68.8 -23.9 68.7 58.9 34.4 72 72 A F T <4 S+ 0 0 117 -3,-1.6 2,-0.2 -6,-0.2 -2,-0.2 0.708 135.6 23.1-107.6 -32.2 67.6 62.3 35.6 73 73 A D X + 0 0 51 -4,-2.9 4,-1.7 1,-0.1 5,-0.2 -0.672 62.8 164.9-140.4 83.3 70.0 63.1 38.3 74 74 A W H > S+ 0 0 30 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.975 78.5 44.9 -62.9 -57.9 73.3 61.2 37.9 75 75 A E H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 112.1 51.6 -56.4 -41.1 75.4 63.3 40.3 76 76 A G H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.935 114.7 40.8 -64.4 -48.7 72.8 63.4 43.1 77 77 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.912 116.7 49.7 -67.3 -39.8 72.1 59.7 43.2 78 78 A M H X S+ 0 0 11 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.864 108.5 53.1 -66.7 -36.1 75.8 58.8 42.8 79 79 A S H X S+ 0 0 71 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.909 108.8 49.5 -65.5 -42.9 76.8 61.2 45.6 80 80 A R H X S+ 0 0 37 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.901 111.0 49.3 -63.3 -40.6 74.3 59.6 48.0 81 81 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.936 109.0 53.8 -62.5 -46.0 75.7 56.1 47.1 82 82 A D H X S+ 0 0 52 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.884 106.8 50.9 -55.1 -43.3 79.2 57.4 47.7 83 83 A T H X S+ 0 0 53 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.933 114.0 43.8 -63.3 -44.7 78.4 58.6 51.2 84 84 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.895 112.8 51.2 -68.8 -42.4 76.8 55.3 52.2 85 85 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.948 111.5 46.3 -61.3 -49.4 79.6 53.2 50.6 86 86 A N H X S+ 0 0 71 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.903 113.1 49.8 -61.4 -40.3 82.4 55.0 52.4 87 87 A A H X S+ 0 0 7 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.896 107.3 55.2 -66.2 -38.4 80.6 55.0 55.7 88 88 A A H <>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 4,-0.3 0.926 110.3 45.9 -59.8 -44.3 80.0 51.2 55.3 89 89 A I H ><5S+ 0 0 31 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.936 111.6 51.4 -64.7 -43.1 83.8 50.7 54.9 90 90 A A H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.763 114.4 44.2 -64.7 -26.3 84.5 52.9 57.8 91 91 A E T 3<5S- 0 0 57 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.301 113.0-115.8-100.0 4.7 82.1 50.9 60.0 92 92 A D T < 5 + 0 0 79 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.924 70.0 136.5 59.7 47.7 83.2 47.4 58.8 93 93 A M < - 0 0 1 -5,-2.9 -38,-0.3 -6,-0.1 -1,-0.2 -0.883 58.5-112.2-123.5 154.8 79.9 46.7 57.2 94 94 A Y E -e 55 0B 7 -40,-2.6 -38,-1.2 -2,-0.3 2,-0.4 -0.523 29.0-152.9 -81.6 151.4 79.0 45.1 53.9 95 95 A V E -ef 56 128B 0 32,-2.9 34,-2.3 -40,-0.2 2,-0.7 -0.992 4.7-150.0-131.3 121.5 77.4 47.5 51.4 96 96 A I E -ef 57 129B 0 -40,-2.4 -38,-3.0 -2,-0.4 2,-1.1 -0.860 10.2-152.7 -91.4 113.4 75.0 46.2 48.7 97 97 A I E -ef 58 130B 0 32,-3.1 34,-2.8 -2,-0.7 2,-0.6 -0.818 20.1-165.0 -90.8 99.1 75.3 48.5 45.7 98 98 A D E -ef 59 131B 0 -40,-2.2 -38,-2.1 -2,-1.1 2,-1.8 -0.827 24.5-152.2 -95.9 117.8 71.9 48.1 44.2 99 99 A F E -e 60 0B 0 32,-2.7 2,-2.2 -2,-0.6 35,-2.0 -0.721 29.1-149.4 -84.7 87.8 71.1 49.2 40.7 100 100 A H E +e 61 0B 4 -2,-1.8 -38,-2.0 -40,-1.7 2,-0.3 -0.412 41.4 138.0 -69.1 82.1 67.5 49.7 41.7 101 101 A S - 0 0 0 -2,-2.2 34,-2.4 -40,-0.2 -38,-0.1 -0.845 52.0-169.0-132.9 157.7 65.7 48.9 38.5 102 102 A H S S+ 0 0 34 -40,-0.3 35,-0.4 -2,-0.3 -1,-0.1 0.140 101.8 39.6-120.6 7.0 62.8 47.1 36.9 103 103 A E > + 0 0 32 -41,-0.1 3,-1.0 33,-0.1 4,-0.3 0.031 65.8 131.1-149.5 34.7 64.3 47.7 33.5 104 104 A A G > S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 7,-0.3 0.886 74.0 57.9 -59.9 -39.0 68.1 47.3 33.6 105 105 A H G 3 S+ 0 0 37 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.738 105.9 50.7 -64.8 -23.0 68.2 45.0 30.5 106 106 A T G < S+ 0 0 97 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.364 114.6 41.7 -96.2 6.1 66.5 47.7 28.4 107 107 A D X> + 0 0 29 -3,-1.6 4,-1.6 -4,-0.3 3,-0.6 -0.334 68.1 152.0-146.1 53.7 69.0 50.5 29.4 108 108 A Q H 3> + 0 0 72 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.760 65.0 64.0 -59.0 -32.5 72.3 48.6 29.4 109 109 A A H 3> S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 107.1 44.4 -61.5 -40.8 74.4 51.7 28.6 110 110 A T H <> S+ 0 0 25 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.911 112.5 51.8 -68.5 -42.8 73.4 53.2 31.9 111 111 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 -7,-0.3 5,-0.2 0.922 111.8 46.4 -59.7 -45.4 73.9 49.9 33.8 112 112 A V H X S+ 0 0 24 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.927 113.0 49.1 -64.7 -43.5 77.5 49.5 32.3 113 113 A R H X S+ 0 0 135 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.947 113.5 47.3 -60.5 -48.1 78.4 53.2 33.1 114 114 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.950 115.5 43.9 -59.0 -51.9 77.1 52.8 36.7 115 115 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.836 111.5 51.3 -68.0 -30.1 78.9 49.5 37.3 116 116 A E H X S+ 0 0 72 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.900 112.1 48.9 -73.3 -35.5 82.2 50.5 35.8 117 117 A D H X S+ 0 0 63 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.938 114.8 43.4 -67.1 -46.3 82.2 53.7 37.9 118 118 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.5 0.891 113.5 50.7 -67.9 -38.4 81.4 51.8 41.1 119 119 A A H X S+ 0 0 3 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.897 112.7 47.9 -67.4 -34.9 83.9 49.0 40.4 120 120 A T H < S+ 0 0 91 -4,-1.9 -2,-0.2 -5,-0.2 4,-0.2 0.929 119.4 37.8 -71.1 -43.3 86.6 51.5 39.7 121 121 A K H < S+ 0 0 98 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.860 136.2 13.9 -77.9 -36.5 85.9 53.6 42.9 122 122 A Y H >< S+ 0 0 7 -4,-3.0 3,-2.0 -5,-0.2 6,-0.3 0.448 89.0 105.7-122.0 -0.4 85.1 50.8 45.4 123 123 A G T 3< S+ 0 0 8 -4,-1.5 39,-0.2 -5,-0.5 -3,-0.1 0.737 72.0 67.7 -53.6 -25.9 86.2 47.5 43.9 124 124 A Q T 3 S+ 0 0 147 -4,-0.2 2,-0.5 -5,-0.2 -1,-0.3 0.722 86.2 86.4 -69.6 -18.0 89.2 47.2 46.1 125 125 A Y X - 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