==== 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 27-JUL-99 1C3F . COMPND 2 MOLECULE: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PLICATUS; . AUTHOR V.RAO,T.CUI,C.GUAN,P.VAN ROEY . 265 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 72.1 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 1 0 0 1 0 0 0 2 1 0 0 0 0 1 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 98 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 147.2 47.5 7.5 50.6 2 7 A Q + 0 0 181 256,-0.2 3,-0.0 255,-0.1 0, 0.0 -0.996 360.0 73.3-139.6 138.0 50.7 5.4 50.7 3 8 A G S S- 0 0 50 -2,-0.4 255,-0.1 231,-0.1 254,-0.1 -0.906 77.5 -10.7 150.5-173.2 53.0 4.2 47.9 4 9 A P - 0 0 12 0, 0.0 2,-0.6 0, 0.0 231,-0.2 -0.125 66.8-106.2 -54.8 147.4 55.7 5.5 45.5 5 10 A T E -a 235 0A 36 229,-2.9 231,-2.2 199,-0.2 2,-0.4 -0.674 37.8-148.3 -75.3 110.6 56.4 9.3 45.0 6 11 A S E -a 236 0A 0 -2,-0.6 29,-2.2 229,-0.2 28,-1.9 -0.727 11.3-160.6 -87.9 136.1 54.9 10.2 41.6 7 12 A V E -ab 237 35A 0 229,-2.2 231,-1.1 -2,-0.4 2,-0.4 -0.853 5.3-164.2-115.6 148.7 56.6 12.9 39.6 8 13 A A E -ab 238 36A 0 27,-1.5 29,-2.6 -2,-0.3 2,-0.4 -0.950 5.1-157.3-138.2 114.4 55.2 14.9 36.7 9 14 A Y E -ab 239 37A 0 229,-1.9 231,-1.5 -2,-0.4 232,-1.2 -0.789 12.5-160.9 -88.9 134.6 57.3 17.0 34.2 10 15 A V E - b 0 38A 0 27,-2.6 29,-2.7 -2,-0.4 2,-1.5 -0.976 17.4-140.5-121.5 125.8 55.4 19.8 32.5 11 16 A E E >> - b 0 39A 39 -2,-0.5 4,-2.3 230,-0.3 3,-2.2 -0.734 18.3-167.0 -83.0 91.1 56.6 21.4 29.3 12 17 A V T 34 S+ 0 0 11 -2,-1.5 -1,-0.2 27,-1.2 28,-0.1 0.435 77.0 77.1 -62.5 -1.0 55.6 24.9 30.3 13 18 A N T 34 S+ 0 0 78 26,-0.4 -1,-0.3 1,-0.1 27,-0.1 0.758 117.7 11.5 -79.4 -23.5 56.1 26.0 26.7 14 19 A N T <4 S+ 0 0 111 -3,-2.2 2,-0.3 1,-0.1 -2,-0.2 0.584 127.1 44.7-125.3 -22.6 52.8 24.4 25.8 15 20 A N S < S- 0 0 38 -4,-2.3 2,-0.3 227,-0.1 -1,-0.1 -0.858 73.8-106.0-130.7 165.8 51.1 23.6 29.1 16 21 A S > - 0 0 40 -2,-0.3 3,-1.4 1,-0.1 4,-0.2 -0.698 15.6-139.4 -90.9 140.9 50.2 24.9 32.5 17 22 A M G > S+ 0 0 1 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.763 98.3 73.8 -65.0 -26.0 51.9 23.7 35.7 18 23 A L G > S+ 0 0 53 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.583 75.5 77.0 -66.3 -11.6 48.4 23.8 37.4 19 24 A N G X S+ 0 0 14 -3,-1.4 3,-0.8 1,-0.2 -1,-0.3 0.801 83.6 66.9 -70.0 -24.8 47.3 20.6 35.6 20 25 A V G X S+ 0 0 0 -3,-1.4 3,-0.7 1,-0.2 13,-0.4 0.826 99.3 49.5 -63.7 -34.1 49.4 18.6 38.1 21 26 A G G < S+ 0 0 10 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.611 90.8 80.6 -83.0 -10.8 47.1 19.6 40.9 22 27 A K G < S+ 0 0 66 -3,-0.8 243,-1.7 -4,-0.5 2,-0.5 0.371 80.2 78.1 -77.1 6.5 43.9 18.6 39.0 23 28 A Y E < +K 264 0B 1 -3,-0.7 9,-2.9 241,-0.2 10,-0.7 -0.961 52.4 158.7-125.8 117.4 44.4 15.0 39.8 24 29 A T E -KL 263 31B 30 239,-1.7 239,-2.5 -2,-0.5 7,-0.3 -0.875 47.0 -89.0-128.9 160.4 43.5 13.5 43.2 25 30 A L E -K 262 0B 6 5,-3.0 237,-0.3 -2,-0.3 4,-0.1 -0.504 23.3-140.1 -74.4 137.6 42.7 9.9 44.2 26 31 A A S S+ 0 0 60 235,-3.6 -1,-0.1 -2,-0.2 236,-0.1 0.844 97.1 41.9 -64.8 -32.3 39.1 8.8 44.0 27 32 A D S S+ 0 0 124 234,-0.5 233,-0.1 1,-0.1 232,-0.0 0.936 131.7 8.2 -78.7 -91.8 39.5 6.9 47.3 28 33 A G S S- 0 0 71 1,-0.1 -2,-0.1 -4,-0.0 -1,-0.1 0.785 92.7-129.2 -65.7 -27.4 41.5 8.7 50.0 29 34 A G + 0 0 37 1,-0.2 3,-0.1 -4,-0.1 -1,-0.1 0.455 55.8 144.7 93.5 -2.4 41.6 11.9 48.0 30 35 A G - 0 0 25 -6,-0.2 -5,-3.0 1,-0.1 -1,-0.2 -0.015 62.2 -76.7 -58.0 175.1 45.4 12.4 48.2 31 36 A N B -L 24 0B 24 -7,-0.3 -7,-0.3 1,-0.2 -1,-0.1 -0.478 26.0-143.2 -74.5 152.0 47.1 14.0 45.2 32 37 A A S S+ 0 0 0 -9,-2.9 2,-0.4 -12,-0.2 -8,-0.2 0.851 91.2 51.1 -78.9 -34.5 47.7 11.8 42.3 33 38 A F + 0 0 0 -10,-0.7 -26,-0.2 -13,-0.4 -1,-0.1 -0.870 55.2 178.6-111.5 134.9 51.0 13.7 41.8 34 39 A D S S+ 0 0 35 -28,-1.9 46,-2.4 -2,-0.4 2,-0.4 0.765 72.9 34.6 -98.9 -37.1 53.7 14.3 44.5 35 40 A V E -bc 7 80A 1 -29,-2.2 -27,-1.5 44,-0.2 2,-0.4 -0.965 61.8-165.3-124.4 141.2 56.3 16.2 42.6 36 41 A A E -bc 8 81A 0 44,-3.0 46,-2.8 -2,-0.4 2,-0.4 -0.976 9.7-161.3-123.6 136.4 55.9 18.7 39.8 37 42 A V E -bc 9 82A 0 -29,-2.6 -27,-2.6 -2,-0.4 2,-0.6 -0.984 15.3-133.9-125.7 129.1 58.9 19.7 37.6 38 43 A I E -bc 10 83A 0 44,-3.1 46,-2.4 -2,-0.4 2,-0.6 -0.700 31.1-123.7 -79.8 121.5 59.2 22.7 35.4 39 44 A F E -b 11 0A 39 -29,-2.7 -27,-1.2 -2,-0.6 -26,-0.4 -0.929 65.6 -6.4-111.4 112.1 60.5 21.7 32.0 40 45 A A E + 0 0 7 -2,-0.6 17,-0.3 44,-0.5 45,-0.2 0.647 33.2 167.6-168.0 153.4 63.0 23.3 31.6 41 46 A A E - c 0 85A 0 43,-3.1 45,-2.4 -3,-0.3 2,-0.3 -0.442 41.4-130.0 -85.6 168.1 65.7 26.0 32.1 42 47 A N E -Dc 55 86A 18 13,-2.8 13,-2.4 43,-0.2 2,-0.8 -0.857 9.7-131.3-124.6 156.3 68.9 25.9 30.1 43 48 A I E -Dc 54 87A 0 43,-1.8 45,-0.5 -2,-0.3 47,-0.3 -0.945 40.0-163.3 -99.5 112.9 72.6 26.0 30.6 44 49 A N E -D 53 0A 12 9,-3.5 9,-1.5 -2,-0.8 2,-0.4 -0.480 11.7-137.2 -95.8 165.2 73.6 28.6 28.0 45 50 A Y E -D 52 0A 35 7,-0.2 2,-0.8 -2,-0.2 7,-0.2 -0.984 2.5-155.3-130.5 121.1 77.0 29.3 26.6 46 51 A D E >> -D 51 0A 65 5,-2.9 4,-1.6 -2,-0.4 5,-1.2 -0.874 7.4-163.9 -94.4 110.1 78.4 32.8 26.0 47 52 A T T 45S+ 0 0 81 -2,-0.8 -1,-0.1 3,-0.2 5,-0.1 0.555 82.3 58.2 -73.7 -10.3 81.0 32.4 23.3 48 53 A G T 45S+ 0 0 61 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.938 121.1 22.4 -81.8 -55.4 82.6 35.8 23.9 49 54 A T T 45S- 0 0 89 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.674 102.7-131.1 -83.5 -16.6 83.5 35.3 27.6 50 55 A K T <5 + 0 0 151 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.895 63.1 127.9 63.8 46.3 83.5 31.6 27.1 51 56 A T E < -D 46 0A 71 -5,-1.2 -5,-2.9 46,-0.0 2,-0.3 -0.933 58.3-119.2-131.7 153.6 81.3 31.1 30.2 52 57 A A E -D 45 0A 25 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.645 29.7-176.1 -92.2 146.9 78.0 29.3 30.9 53 58 A Y E -D 44 0A 89 -9,-1.5 -9,-3.5 -2,-0.3 2,-0.3 -0.964 28.5-107.0-141.4 155.7 75.0 31.1 32.2 54 59 A L E -D 43 0A 27 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.600 37.7-166.1 -82.2 144.8 71.6 30.1 33.3 55 60 A H E -D 42 0A 68 -13,-2.4 -13,-2.8 -2,-0.3 2,-0.5 -0.991 17.8-165.7-143.4 136.1 68.7 30.9 31.0 56 61 A F - 0 0 34 -2,-0.4 -15,-0.1 -15,-0.2 2,-0.1 -0.965 21.4-139.3-114.2 122.0 64.9 31.0 31.2 57 62 A N > - 0 0 31 -2,-0.5 4,-2.9 -17,-0.3 3,-0.2 -0.401 38.8 -93.5 -72.2 168.1 63.0 31.1 28.0 58 63 A E H > S+ 0 0 159 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.809 125.6 47.2 -49.5 -44.8 59.9 33.5 28.0 59 64 A N H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 114.6 46.8 -68.3 -39.9 57.4 30.8 29.0 60 65 A V H > S+ 0 0 0 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.878 114.3 48.7 -68.7 -39.6 59.6 29.5 31.8 61 66 A Q H X S+ 0 0 55 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.936 107.8 53.6 -65.7 -46.4 60.2 33.0 32.9 62 67 A R H X S+ 0 0 125 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.924 108.7 50.1 -53.5 -45.8 56.6 33.8 32.9 63 68 A V H < S+ 0 0 13 -4,-2.0 7,-0.3 1,-0.2 8,-0.3 0.864 113.5 45.7 -58.1 -46.3 55.9 30.7 35.1 64 69 A L H >< S+ 0 0 1 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.896 111.4 50.8 -64.8 -45.9 58.6 31.8 37.6 65 70 A D H 3< S+ 0 0 102 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.806 114.2 46.3 -60.3 -38.6 57.5 35.4 37.7 66 71 A N T >X + 0 0 80 -4,-1.9 3,-2.5 -5,-0.3 4,-2.4 -0.013 68.6 134.9 -98.5 32.4 53.9 34.3 38.4 67 72 A A H <>> + 0 0 13 -3,-1.4 5,-2.8 1,-0.3 4,-1.2 0.831 62.6 72.9 -49.1 -33.0 54.9 31.8 41.1 68 73 A V H 345S+ 0 0 117 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.794 115.7 17.3 -53.9 -34.4 52.0 33.2 43.1 69 74 A T H <45S+ 0 0 70 -3,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 0.683 133.7 39.4-110.9 -26.3 49.4 31.5 40.8 70 75 A Q H <5S+ 0 0 49 -4,-2.4 -3,-0.2 -7,-0.3 4,-0.2 0.847 129.5 17.4 -94.8 -36.8 51.4 28.8 38.9 71 76 A I T >X5S+ 0 0 0 -4,-1.2 4,-1.6 -5,-0.3 3,-0.9 0.878 117.7 57.1-101.1 -54.4 53.8 27.4 41.5 72 77 A R H 3> S+ 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.897 107.5 48.2 -53.4 -41.6 49.0 26.7 44.6 74 79 A L H <4>S+ 0 0 2 -3,-0.9 5,-2.4 1,-0.2 -2,-0.2 0.905 110.9 50.5 -64.5 -43.7 50.6 23.3 44.0 75 80 A Q H ><5S+ 0 0 29 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.867 106.9 53.4 -64.0 -38.2 52.9 23.7 47.0 76 81 A Q H 3<5S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.814 105.9 55.0 -65.1 -31.8 50.0 24.6 49.3 77 82 A Q T 3<5S- 0 0 73 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.453 128.1-100.6 -79.9 -2.6 48.3 21.4 48.1 78 83 A G T < 5S+ 0 0 50 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.510 81.1 131.2 94.5 8.0 51.4 19.4 49.1 79 84 A I < - 0 0 0 -5,-2.4 -1,-0.3 -6,-0.1 -44,-0.2 -0.824 52.1-135.2 -98.2 119.6 53.0 18.9 45.7 80 85 A K E -c 35 0A 96 -46,-2.4 -44,-3.0 -2,-0.5 2,-0.5 -0.447 14.6-147.3 -72.2 150.1 56.7 19.8 45.5 81 86 A V E -c 36 0A 0 -46,-0.2 39,-2.6 37,-0.1 40,-0.7 -0.959 16.9-178.6-128.4 113.8 57.9 21.9 42.5 82 87 A L E -ce 37 121A 0 -46,-2.8 -44,-3.1 -2,-0.5 2,-0.5 -0.694 23.5-132.9-105.3 160.0 61.3 21.5 41.0 83 88 A L E -ce 38 122A 1 38,-2.4 40,-2.3 -2,-0.3 2,-0.3 -0.971 21.0-147.4-113.8 119.6 63.0 23.4 38.1 84 89 A S E - e 0 123A 0 -46,-2.4 -43,-3.1 -2,-0.5 -44,-0.5 -0.715 10.3-160.9 -87.2 139.8 64.7 21.0 35.5 85 90 A V E +ce 41 124A 0 38,-2.9 40,-2.4 -2,-0.3 2,-0.3 -0.986 12.3 176.9-122.9 131.2 67.8 22.3 33.8 86 91 A L E -ce 42 125A 11 -45,-2.4 -43,-1.8 -2,-0.4 40,-0.2 -0.853 28.9-108.5-131.0 162.8 69.1 20.9 30.6 87 92 A G E -c 43 0A 0 40,-1.3 2,-0.3 38,-1.0 42,-0.2 -0.327 27.8-145.5 -82.5 170.0 71.9 21.6 28.2 88 93 A N > - 0 0 35 4,-0.7 3,-1.1 -45,-0.5 42,-1.1 -0.798 36.9 -93.8-126.7 171.4 71.4 23.0 24.8 89 94 A H T 3 S+ 0 0 107 -2,-0.3 40,-0.1 1,-0.2 45,-0.1 0.075 103.0 98.8 -74.9 27.0 73.3 22.3 21.6 90 95 A Q T 3 S- 0 0 31 -47,-0.3 -1,-0.2 2,-0.2 46,-0.2 0.608 99.9-108.3 -90.8 -15.2 75.4 25.4 22.6 91 96 A G S < S+ 0 0 0 -3,-1.1 2,-0.5 1,-0.3 41,-0.5 0.100 82.1 116.4 113.0 -27.2 78.3 23.4 24.0 92 97 A A + 0 0 6 -49,-0.2 -4,-0.7 39,-0.1 -1,-0.3 -0.702 37.3 164.4 -81.2 121.8 77.8 24.1 27.7 93 98 A G > - 0 0 0 -2,-0.5 3,-1.2 -6,-0.1 33,-0.1 -0.859 51.3-107.5-130.7 168.3 77.0 20.9 29.7 94 99 A F T 3 S+ 0 0 0 -2,-0.3 3,-0.2 1,-0.2 53,-0.2 0.612 116.4 54.4 -73.1 -10.0 77.0 19.9 33.3 95 100 A A T 3 S+ 0 0 0 1,-0.1 45,-2.3 48,-0.1 48,-0.3 0.271 98.1 60.9-106.9 8.6 80.1 17.8 32.7 96 101 A N < + 0 0 18 -3,-1.2 41,-0.3 43,-0.2 -1,-0.1 0.126 57.7 135.5-125.5 26.6 82.5 20.4 31.1 97 102 A F - 0 0 12 -3,-0.2 46,-0.3 1,-0.1 45,-0.1 -0.614 49.3-144.1 -69.8 129.0 82.9 23.1 33.7 98 103 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.473 71.1 8.7 -75.8 -4.2 86.7 23.8 33.7 99 104 A S S > S- 0 0 49 1,-0.1 4,-3.0 44,-0.0 5,-0.1 -0.980 74.4-101.3-164.7 174.1 86.9 24.5 37.4 100 105 A Q H > S+ 0 0 94 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.884 123.5 47.8 -69.3 -43.7 85.3 24.4 40.9 101 106 A Q H > S+ 0 0 131 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.803 112.8 49.5 -67.5 -30.4 84.6 28.2 40.7 102 107 A A H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.992 115.9 42.5 -67.2 -60.9 83.2 27.6 37.2 103 108 A A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.830 118.0 47.7 -53.3 -37.0 81.0 24.8 38.5 104 109 A S H X S+ 0 0 22 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.865 103.8 57.8 -75.1 -39.4 80.1 26.8 41.6 105 110 A A H X S+ 0 0 37 -4,-2.3 4,-1.5 -3,-0.4 -2,-0.2 0.926 110.7 44.9 -58.6 -43.7 79.3 30.1 39.9 106 111 A F H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.916 110.5 54.8 -66.2 -38.7 76.6 28.1 37.9 107 112 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.868 104.9 54.2 -59.6 -37.9 75.5 26.4 41.2 108 113 A K H X S+ 0 0 129 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.888 104.3 54.1 -64.8 -39.9 75.0 29.8 42.7 109 114 A Q H X S+ 0 0 59 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.878 108.9 50.8 -63.2 -35.4 72.7 30.8 39.8 110 115 A L H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.928 112.1 42.4 -68.8 -49.8 70.6 27.7 40.5 111 116 A S H X S+ 0 0 13 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.841 110.3 59.2 -68.0 -29.0 70.0 28.2 44.2 112 117 A D H X S+ 0 0 96 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.917 109.2 42.5 -66.3 -40.4 69.4 31.9 43.7 113 118 A A H X S+ 0 0 7 -4,-1.5 4,-2.3 2,-0.2 6,-0.3 0.896 115.6 51.0 -69.9 -38.9 66.5 31.2 41.3 114 119 A V H X>S+ 0 0 3 -4,-2.0 5,-1.6 2,-0.2 4,-0.9 0.927 114.8 41.4 -62.7 -45.4 65.3 28.5 43.8 115 120 A A H <5S+ 0 0 80 -4,-3.3 3,-0.3 1,-0.2 -2,-0.2 0.915 118.7 48.6 -68.6 -39.1 65.5 30.8 46.7 116 121 A K H <5S+ 0 0 150 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.703 117.7 36.1 -73.7 -28.2 64.0 33.6 44.6 117 122 A Y H <5S- 0 0 23 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.428 107.1-114.3-107.1 0.5 61.0 31.7 43.1 118 123 A G T <5 + 0 0 18 -4,-0.9 2,-0.2 -3,-0.3 -3,-0.2 0.852 58.2 162.2 70.3 35.1 60.1 29.6 46.1 119 124 A L < - 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