==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-99 1C8X . COMPND 2 MOLECULE: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PLICATUS; . AUTHOR V.RAO,C.TAO,C.GUAN,P.VAN ROEY . 265 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 1 0 0 1 0 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 1 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 PARALLEL BRIDGES PER LADDER . 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 6 A K 0 0 91 0, 0.0 2,-0.4 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 136.2 22.7 53.4 57.8 2 7 A Q + 0 0 178 256,-0.2 27,-0.0 3,-0.0 3,-0.0 -0.992 360.0 58.7-135.1 129.1 21.0 53.1 61.2 3 8 A G S S- 0 0 53 -2,-0.4 255,-0.1 231,-0.1 254,-0.1 -0.953 83.9 -18.1 151.6-170.5 21.3 50.4 63.8 4 9 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 231,-0.3 -0.224 68.3-105.7 -59.1 153.6 23.8 48.5 66.1 5 10 A T E -a 235 0A 31 229,-3.5 231,-2.4 199,-0.3 2,-0.4 -0.719 36.5-148.2 -83.8 125.8 27.6 48.8 65.3 6 11 A S E -a 236 0A 0 -2,-0.4 28,-2.5 229,-0.2 29,-1.8 -0.862 9.5-159.1-100.6 139.5 28.7 45.5 63.8 7 12 A V E -ab 237 35A 0 229,-3.0 231,-2.7 -2,-0.4 2,-0.4 -0.899 5.1-162.7-118.2 141.5 32.3 44.2 64.3 8 13 A A E -ab 238 36A 0 27,-2.4 29,-2.3 -2,-0.4 2,-0.4 -0.990 6.3-155.6-125.3 123.1 34.3 41.7 62.3 9 14 A Y E - b 0 37A 5 229,-2.3 232,-1.6 -2,-0.4 2,-0.4 -0.805 12.5-159.9 -92.4 142.4 37.4 39.9 63.7 10 15 A V E - b 0 38A 1 27,-2.4 29,-2.2 -2,-0.4 2,-1.7 -0.988 17.3-141.6-127.9 125.0 39.8 38.7 61.1 11 16 A E E >> - b 0 39A 63 -2,-0.4 4,-2.0 230,-0.3 3,-1.7 -0.650 19.7-169.0 -85.2 87.8 42.4 36.0 61.7 12 17 A V T 34 S+ 0 0 12 -2,-1.7 -1,-0.2 27,-0.9 28,-0.1 0.490 73.5 79.2 -58.4 -4.4 45.1 37.6 59.6 13 18 A N T 34 S+ 0 0 83 26,-0.4 -1,-0.3 1,-0.1 27,-0.1 0.927 121.0 4.2 -69.6 -42.1 47.2 34.5 59.8 14 19 A N T <4 S+ 0 0 132 -3,-1.7 2,-0.3 1,-0.0 -2,-0.2 0.425 128.0 65.0-120.8 -4.4 45.1 32.9 57.1 15 20 A N S < S- 0 0 38 -4,-2.0 2,-0.4 227,-0.1 227,-0.1 -0.906 72.1-119.6-131.2 153.5 42.7 35.7 56.1 16 21 A S > - 0 0 43 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.744 8.6-148.6 -89.4 130.4 42.8 39.2 54.6 17 22 A M G > S+ 0 0 1 -2,-0.4 3,-2.3 1,-0.3 4,-0.4 0.884 93.9 76.8 -59.6 -35.1 41.6 42.2 56.5 18 23 A L G > S+ 0 0 50 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.670 77.0 71.9 -53.5 -17.0 40.5 43.6 53.1 19 24 A N G X S+ 0 0 13 -3,-1.5 3,-0.7 1,-0.2 -1,-0.3 0.743 82.9 70.4 -72.5 -23.8 37.4 41.3 53.1 20 25 A V G X S+ 0 0 0 -3,-2.3 3,-0.6 -4,-0.2 13,-0.4 0.826 97.9 51.2 -60.5 -32.8 35.7 43.4 55.8 21 26 A G G < S+ 0 0 8 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.652 91.1 74.9 -81.4 -17.3 35.2 46.2 53.3 22 27 A K G < S+ 0 0 60 -3,-0.7 2,-0.6 -4,-0.4 243,-0.5 0.549 81.4 81.9 -73.0 -11.5 33.6 44.2 50.5 23 28 A Y E < +K 264 0B 0 -3,-0.6 9,-2.7 -4,-0.3 10,-0.6 -0.891 53.9 156.0-104.3 123.1 30.3 44.0 52.3 24 29 A T E -KL 263 31B 46 239,-1.8 239,-2.1 -2,-0.6 2,-0.3 -0.881 48.1 -86.3-134.7 165.3 27.9 47.0 52.0 25 30 A L E -K 262 0B 7 5,-3.2 5,-0.3 -2,-0.3 237,-0.3 -0.614 27.8-135.7 -81.7 132.6 24.2 47.4 52.4 26 31 A A S S+ 0 0 53 235,-2.1 -1,-0.1 -2,-0.3 236,-0.1 0.704 93.2 60.0 -56.0 -29.7 22.1 46.7 49.2 27 32 A D S S- 0 0 82 234,-0.4 3,-0.3 3,-0.1 233,-0.1 -0.034 126.8 -72.7 -81.9-162.4 20.0 49.8 50.0 28 33 A G S S+ 0 0 81 1,-0.2 -3,-0.1 -4,-0.0 -1,-0.0 0.933 101.9 122.5 -56.0 -44.1 21.8 53.2 50.2 29 34 A G - 0 0 17 229,-0.1 2,-0.3 -5,-0.1 -1,-0.2 0.132 55.6-142.5 30.7 -97.9 23.0 51.7 53.5 30 35 A G + 0 0 28 -5,-0.3 -5,-3.2 -3,-0.3 -3,-0.1 -0.936 53.5 3.6 136.8-157.7 26.8 51.6 53.7 31 36 A N B -L 24 0B 27 -2,-0.3 -7,-0.3 -7,-0.3 -10,-0.1 -0.223 49.4-146.8 -60.1 143.6 29.3 49.1 55.2 32 37 A A S S+ 0 0 0 -9,-2.7 2,-0.4 -12,-0.3 -8,-0.2 0.766 92.2 47.4 -78.0 -27.6 27.9 45.9 56.6 33 38 A F - 0 0 0 -10,-0.6 -26,-0.2 -13,-0.4 -1,-0.2 -0.953 60.0-176.3-116.1 133.7 30.8 46.0 59.2 34 39 A D S S+ 0 0 40 -28,-2.5 46,-2.4 -2,-0.4 2,-0.4 0.759 74.1 35.1 -97.4 -31.1 31.7 49.1 61.1 35 40 A V E -bc 7 80A 3 -29,-1.8 -27,-2.4 44,-0.2 2,-0.4 -0.983 62.9-163.1-128.4 137.5 34.7 47.9 63.0 36 41 A A E -bc 8 81A 0 44,-2.8 46,-2.8 -2,-0.4 2,-0.5 -0.941 11.5-155.9-115.6 139.0 37.4 45.5 61.8 37 42 A V E -bc 9 82A 0 -29,-2.3 -27,-2.4 -2,-0.4 2,-0.6 -0.980 11.7-136.6-124.2 122.1 39.6 43.8 64.4 38 43 A I E -bc 10 83A 0 44,-3.3 46,-2.5 -2,-0.5 2,-0.6 -0.659 29.8-126.0 -75.5 116.6 43.1 42.5 63.6 39 44 A F E +b 11 0A 52 -29,-2.2 -27,-0.9 -2,-0.6 -26,-0.4 -0.933 63.8 3.4-109.0 115.7 43.5 39.1 65.4 40 45 A A E + 0 0 7 -2,-0.6 17,-0.4 44,-0.5 45,-0.2 0.614 34.2 154.0-165.5 148.6 46.0 39.1 67.1 41 46 A A E - c 0 85A 0 43,-3.8 45,-2.2 -3,-0.3 2,-0.3 -0.507 43.9-136.1 -87.1 172.8 49.1 40.5 68.8 42 47 A N E -Dc 55 86A 15 13,-3.0 13,-3.2 43,-0.3 2,-0.7 -0.885 12.7-126.8-134.2 159.4 50.2 38.8 72.1 43 48 A I E +Dc 54 87A 0 43,-2.0 45,-0.6 -2,-0.3 47,-0.3 -0.942 41.6 176.9-103.4 113.9 51.4 39.6 75.5 44 49 A N E -D 53 0A 7 9,-3.0 9,-1.6 -2,-0.7 2,-0.4 -0.528 20.4-125.5-104.5-173.2 54.6 37.6 75.9 45 50 A Y E -D 52 0A 29 7,-0.3 2,-0.9 -2,-0.2 7,-0.3 -0.997 4.8-148.2-144.0 130.3 57.1 37.4 78.8 46 51 A D E >> -D 51 0A 72 5,-3.2 5,-1.6 -2,-0.4 4,-1.2 -0.883 18.7-167.9 -93.7 106.2 60.8 37.9 79.0 47 52 A T T 45S+ 0 0 71 -2,-0.9 -1,-0.2 1,-0.2 5,-0.1 0.808 81.2 54.8 -67.8 -32.9 61.6 35.4 81.9 48 53 A G T 45S+ 0 0 72 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.832 118.0 33.2 -71.3 -33.7 65.1 36.7 82.4 49 54 A T T 45S- 0 0 86 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.509 103.1-127.1 -99.2 -6.3 64.0 40.3 82.9 50 55 A K T <5 + 0 0 166 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.852 67.2 124.9 62.5 40.4 60.7 39.5 84.6 51 56 A T E < -D 46 0A 71 -5,-1.6 -5,-3.2 46,-0.0 -1,-0.2 -0.987 54.9-136.8-140.1 137.4 58.8 41.7 82.1 52 57 A A E -D 45 0A 12 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.3 -0.450 24.5-172.1 -81.7 156.1 56.0 41.3 79.7 53 58 A Y E -D 44 0A 81 -9,-1.6 -9,-3.0 -2,-0.1 2,-0.6 -0.985 32.0-102.4-150.5 156.0 56.0 42.7 76.2 54 59 A L E -D 43 0A 16 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.734 43.0-164.1 -84.1 114.0 53.7 43.2 73.2 55 60 A H E -D 42 0A 48 -13,-3.2 -13,-3.0 -2,-0.6 2,-0.4 -0.796 10.8-166.1-103.3 142.4 54.6 40.5 70.7 56 61 A F - 0 0 41 -2,-0.3 -15,-0.1 -15,-0.2 2,-0.1 -0.995 18.2-136.2-130.0 120.2 53.6 40.4 67.0 57 62 A N > - 0 0 33 -2,-0.4 4,-3.2 -17,-0.4 3,-0.5 -0.458 36.0-101.2 -70.8 155.5 54.0 37.3 65.0 58 63 A E H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.759 122.5 54.5 -48.0 -33.4 55.5 37.9 61.5 59 64 A N H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 112.4 39.8 -68.9 -48.7 52.0 37.6 60.0 60 65 A V H > S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.2 3,-0.2 0.939 114.9 55.8 -66.0 -42.3 50.4 40.2 62.2 61 66 A Q H X S+ 0 0 34 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.871 106.0 51.2 -56.6 -38.2 53.6 42.3 61.8 62 67 A R H X S+ 0 0 122 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.882 104.7 54.2 -70.5 -35.7 53.3 42.1 58.0 63 68 A V H < S+ 0 0 15 -4,-1.7 7,-0.3 -3,-0.2 -1,-0.2 0.952 114.9 44.2 -60.1 -41.6 49.7 43.4 58.1 64 69 A L H >< S+ 0 0 3 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.870 111.1 49.1 -67.7 -48.4 51.1 46.3 60.1 65 70 A D H 3< S+ 0 0 90 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.841 118.2 45.1 -61.9 -31.8 54.2 47.0 58.0 66 71 A N T >X S+ 0 0 84 -4,-2.1 4,-2.7 -5,-0.2 3,-1.2 -0.011 74.8 130.4-101.0 28.5 51.8 46.9 55.0 67 72 A A H <>> + 0 0 6 -3,-1.6 5,-2.6 1,-0.3 4,-2.2 0.791 64.5 63.0 -55.4 -33.9 49.1 49.0 56.6 68 73 A V H 345S+ 0 0 109 -3,-0.3 -1,-0.3 3,-0.2 -2,-0.1 0.888 118.1 27.8 -60.0 -38.4 48.8 51.3 53.6 69 74 A T H <45S+ 0 0 71 -3,-1.2 -2,-0.2 -6,-0.1 -1,-0.2 0.802 130.6 37.6 -95.3 -27.8 47.6 48.4 51.5 70 75 A Q H <5S+ 0 0 44 -4,-2.7 -3,-0.2 -7,-0.3 -2,-0.2 0.775 131.0 17.2 -94.0 -28.0 46.0 46.1 54.2 71 76 A I T >X5S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 3,-1.1 0.813 109.3 66.1-114.4 -45.4 44.3 48.7 56.5 72 77 A R H 3> S+ 0 0 51 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.913 108.6 44.7 -63.3 -34.5 41.4 50.9 52.3 74 79 A L H <4>S+ 0 0 1 -3,-1.1 5,-2.3 1,-0.2 4,-0.5 0.928 114.3 48.8 -68.4 -49.0 39.0 49.8 55.2 75 80 A Q H ><5S+ 0 0 42 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.821 105.7 57.2 -60.9 -33.0 39.6 53.0 57.0 76 81 A Q H 3<5S+ 0 0 182 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.832 103.6 55.4 -67.1 -30.5 39.0 55.0 53.8 77 82 A Q T 3<5S- 0 0 70 -4,-1.1 -1,-0.3 -3,-0.4 -46,-0.2 0.587 128.8-100.9 -74.6 -15.2 35.6 53.3 53.7 78 83 A G T < 5S+ 0 0 54 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.362 77.0 142.8 107.3 -1.3 34.8 54.5 57.2 79 84 A I < - 0 0 1 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.591 46.1-137.6 -77.4 123.2 35.7 51.2 58.9 80 85 A K E -c 35 0A 100 -46,-2.4 -44,-2.8 -2,-0.4 2,-0.5 -0.661 17.1-150.3 -82.6 128.4 37.5 51.5 62.3 81 86 A V E -c 36 0A 0 -2,-0.4 39,-3.1 -46,-0.2 40,-0.6 -0.896 11.8-168.7-107.9 122.7 40.4 49.0 62.7 82 87 A L E -ce 37 121A 0 -46,-2.8 -44,-3.3 -2,-0.5 2,-0.5 -0.700 18.9-133.5-106.5 149.2 41.4 47.7 66.1 83 88 A L E -ce 38 122A 0 38,-2.3 40,-2.4 -2,-0.3 2,-0.3 -0.928 24.4-150.7 -98.8 128.1 44.5 45.6 67.2 84 89 A S E - e 0 123A 0 -46,-2.5 -43,-3.8 -2,-0.5 -44,-0.5 -0.801 5.6-156.2-101.2 143.8 43.6 42.7 69.4 85 90 A V E -ce 41 124A 0 38,-2.3 40,-2.1 -2,-0.3 2,-0.3 -0.971 12.1-176.6-120.8 135.4 45.9 41.3 72.0 86 91 A L E -ce 42 125A 10 -45,-2.2 -43,-2.0 -2,-0.4 40,-0.2 -0.856 32.9 -97.7-127.8 161.7 45.8 37.7 73.4 87 92 A G E -c 43 0A 1 40,-2.0 42,-0.3 38,-0.7 -43,-0.1 -0.328 28.5-157.7 -69.8 162.0 47.6 35.7 76.1 88 93 A N - 0 0 42 -45,-0.6 41,-0.2 4,-0.4 -43,-0.1 -0.046 47.4 -92.2-137.7 37.6 50.4 33.5 74.7 89 94 A H S S+ 0 0 89 39,-2.9 40,-0.2 38,-0.1 41,-0.1 0.747 94.1 116.4 61.3 29.4 51.0 30.7 77.2 90 95 A Q S S- 0 0 46 2,-0.3 2,-0.9 -47,-0.3 40,-0.2 0.327 82.8-112.5-116.0 15.4 53.7 32.8 79.0 91 96 A G S S+ 0 0 0 38,-3.0 2,-0.4 1,-0.2 41,-0.3 -0.257 88.3 105.3 87.4 -48.7 52.5 33.5 82.5 92 97 A A + 0 0 4 -2,-0.9 -4,-0.4 39,-0.1 -2,-0.3 -0.536 45.8 158.2 -69.5 124.4 52.2 37.2 81.7 93 98 A G > - 0 0 1 -2,-0.4 3,-1.3 -6,-0.1 4,-0.3 -0.806 56.3 -94.3-137.5 175.8 48.6 38.3 81.3 94 99 A F T 3 S+ 0 0 0 1,-0.3 3,-0.4 -2,-0.2 53,-0.2 0.800 125.3 46.9 -65.9 -25.9 46.6 41.5 81.5 95 100 A A T 3 S+ 0 0 0 1,-0.2 45,-2.4 48,-0.2 -1,-0.3 0.085 102.4 74.9-103.1 28.8 45.6 40.8 85.2 96 101 A N < + 0 0 11 -3,-1.3 41,-0.4 43,-0.2 -1,-0.2 0.495 52.0 126.5-121.2 -6.4 49.2 40.0 86.0 97 102 A F - 0 0 11 -3,-0.4 46,-0.2 -4,-0.3 45,-0.1 -0.351 48.6-147.2 -64.8 133.8 51.3 43.1 86.2 98 103 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.642 76.6 12.4 -70.9 -23.0 53.3 43.4 89.5 99 104 A S S > S- 0 0 55 1,-0.1 4,-2.0 44,-0.0 5,-0.2 -0.965 75.3-108.2-151.6 167.2 53.1 47.2 89.6 100 105 A Q H > S+ 0 0 71 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.876 118.9 54.1 -64.3 -42.7 51.5 50.2 88.0 101 106 A Q H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.793 108.5 48.3 -62.6 -34.6 54.7 51.1 86.2 102 107 A A H > S+ 0 0 37 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.880 114.9 44.7 -71.4 -43.8 55.0 47.6 84.7 103 108 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.887 112.8 53.2 -67.1 -37.5 51.4 47.7 83.5 104 109 A S H X S+ 0 0 32 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.899 104.7 54.2 -65.4 -41.7 52.0 51.3 82.3 105 110 A A H X S+ 0 0 55 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.848 110.2 46.0 -62.8 -37.2 55.0 50.3 80.2 106 111 A F H X S+ 0 0 2 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.880 108.7 56.8 -69.6 -38.3 52.9 47.6 78.4 107 112 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.894 105.2 53.5 -56.1 -41.9 50.2 50.3 78.0 108 113 A K H X S+ 0 0 108 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.828 104.1 52.7 -62.3 -41.6 52.9 52.3 76.2 109 114 A Q H X S+ 0 0 76 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.855 112.9 45.5 -64.9 -31.2 53.8 49.6 73.8 110 115 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.888 112.9 49.8 -75.3 -44.6 50.1 49.3 72.8 111 116 A S H X S+ 0 0 14 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.888 111.3 48.8 -59.0 -48.2 49.6 53.0 72.6 112 117 A D H X S+ 0 0 75 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.835 108.9 52.6 -64.6 -36.2 52.7 53.4 70.4 113 118 A A H X S+ 0 0 8 -4,-1.3 4,-2.2 2,-0.2 6,-0.3 0.867 107.1 52.7 -69.7 -37.8 51.6 50.6 68.0 114 119 A V H <>S+ 0 0 4 -4,-1.7 5,-2.4 2,-0.2 4,-0.3 0.944 116.8 39.2 -61.9 -45.7 48.2 52.3 67.6 115 120 A A H ><5S+ 0 0 80 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.925 115.3 50.6 -70.1 -49.3 50.0 55.6 66.6 116 121 A K H 3<5S+ 0 0 155 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 120.5 36.2 -59.1 -37.1 52.8 54.0 64.6 117 122 A Y T 3<5S- 0 0 22 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.379 106.4-122.5-101.9 9.9 50.3 52.0 62.6 118 123 A G T < 5 + 0 0 33 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.801 54.9 162.8 53.7 35.9 47.5 54.6 62.4 119 124 A L < - 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