==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (GLUCOSIDASE) 31-MAR-95 1EDT . COMPND 2 MOLECULE: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H, ENDO H; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PLICATUS; . AUTHOR P.VAN ROEY,V.RAO . 265 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 69.8 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 . 15 5.7 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 . 64 24.2 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 97 0, 0.0 2,-0.4 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 105.3 48.4 7.3 50.2 2 7 A Q + 0 0 172 256,-0.1 0, 0.0 255,-0.0 0, 0.0 -0.989 360.0 68.5-129.6 136.8 51.1 4.6 50.5 3 8 A G S S- 0 0 47 -2,-0.4 255,-0.1 231,-0.0 3,-0.1 -0.826 81.4 -23.8 144.5 178.2 53.3 3.8 47.6 4 9 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 231,-0.3 -0.134 65.4-104.1 -59.2 152.1 56.2 5.0 45.4 5 10 A T E -a 235 0A 36 229,-3.5 231,-2.6 199,-0.2 2,-0.4 -0.654 38.9-149.3 -74.2 125.0 56.8 8.7 44.9 6 11 A S E -a 236 0A 0 -2,-0.4 28,-2.2 229,-0.2 29,-1.7 -0.894 9.0-157.5-103.0 142.9 55.6 9.6 41.5 7 12 A V E -ab 237 35A 0 229,-2.3 231,-1.4 -2,-0.4 2,-0.4 -0.882 4.5-161.2-118.7 143.8 57.2 12.4 39.5 8 13 A A E -ab 238 36A 0 27,-2.6 29,-2.4 -2,-0.3 2,-0.5 -0.992 5.2-155.5-127.3 124.1 55.8 14.5 36.6 9 14 A Y E -ab 239 37A 0 229,-1.1 232,-1.3 -2,-0.4 231,-1.2 -0.858 12.0-164.6 -95.4 135.0 57.9 16.4 34.1 10 15 A V E - b 0 38A 0 27,-2.3 29,-2.6 -2,-0.5 2,-1.2 -0.982 17.2-140.8-122.9 125.3 56.1 19.3 32.5 11 16 A E E >> - b 0 39A 44 -2,-0.5 4,-2.1 230,-0.3 3,-1.6 -0.776 16.2-165.5 -83.9 102.7 57.5 21.0 29.4 12 17 A V T 34 S+ 0 0 16 27,-1.4 -1,-0.2 -2,-1.2 28,-0.1 0.609 78.8 74.7 -67.5 -14.7 56.7 24.6 30.3 13 18 A N T 34 S+ 0 0 76 26,-0.5 -1,-0.3 1,-0.1 27,-0.1 0.821 119.2 14.6 -65.2 -26.1 57.3 25.8 26.7 14 19 A N T <4 S+ 0 0 114 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.606 123.4 41.2-122.0 -21.9 53.9 24.2 26.0 15 20 A N S < S- 0 0 43 -4,-2.1 2,-0.2 227,-0.1 -1,-0.2 -0.921 72.3-104.0-136.4 164.1 52.0 23.4 29.1 16 21 A S > - 0 0 41 -2,-0.3 3,-0.8 1,-0.1 4,-0.2 -0.520 16.7-139.3 -84.0 145.7 51.0 24.6 32.5 17 22 A M G > S+ 0 0 1 1,-0.2 3,-2.0 -2,-0.2 4,-0.3 0.855 97.4 76.6 -67.8 -31.4 52.6 23.4 35.7 18 23 A L G > S+ 0 0 61 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.711 75.1 73.2 -52.2 -28.6 49.0 23.5 37.2 19 24 A N G X S+ 0 0 12 -3,-0.8 3,-1.3 1,-0.3 4,-0.4 0.815 83.8 68.9 -59.6 -29.0 47.9 20.3 35.4 20 25 A V G X S+ 0 0 1 -3,-2.0 3,-0.6 1,-0.3 13,-0.3 0.821 98.8 52.2 -59.4 -28.1 50.0 18.3 37.8 21 26 A G G < S+ 0 0 11 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.626 90.6 74.9 -85.7 -12.1 47.5 19.3 40.5 22 27 A K G < S+ 0 0 75 -3,-1.3 243,-1.0 -4,-0.5 2,-0.6 0.561 80.5 81.8 -77.8 -7.8 44.3 18.2 38.7 23 28 A Y E < +K 264 0B 0 -3,-0.6 9,-2.2 -4,-0.4 10,-0.5 -0.879 54.0 163.3-107.2 118.8 44.9 14.5 39.2 24 29 A T E -KL 263 31B 31 239,-2.3 239,-2.8 -2,-0.6 2,-0.4 -0.867 44.3 -92.0-127.5 160.1 43.9 13.0 42.6 25 30 A L E > -K 262 0B 6 5,-2.7 4,-1.3 -2,-0.3 237,-0.2 -0.622 25.5-141.8 -74.8 126.4 43.3 9.4 43.7 26 31 A A T 4 S+ 0 0 48 235,-3.0 -1,-0.1 -2,-0.4 236,-0.1 0.848 100.4 27.3 -54.8 -38.7 39.7 8.3 43.4 27 32 A D T 4 S+ 0 0 116 234,-0.5 -1,-0.1 3,-0.0 233,-0.1 0.914 131.0 33.2 -86.7 -76.4 40.0 6.4 46.7 28 33 A G T 4 S- 0 0 55 230,-0.2 -2,-0.2 1,-0.1 3,-0.1 0.847 84.6-144.4 -49.4 -45.2 42.6 8.2 48.8 29 34 A G < + 0 0 49 -4,-1.3 -1,-0.1 1,-0.3 -3,-0.1 0.452 58.9 129.2 87.6 -1.7 41.9 11.7 47.5 30 35 A G S S- 0 0 23 1,-0.2 -5,-2.7 -6,-0.1 -1,-0.3 -0.178 71.6 -72.9 -75.4 178.4 45.7 12.2 47.8 31 36 A N B -L 24 0B 27 -7,-0.2 -7,-0.2 46,-0.1 -1,-0.2 -0.511 26.9-147.3 -74.6 143.1 47.7 13.6 44.9 32 37 A A S S+ 0 0 0 -9,-2.2 2,-0.4 -12,-0.2 -8,-0.1 0.756 90.7 46.0 -76.3 -28.8 48.4 11.3 41.9 33 38 A F - 0 0 0 -10,-0.5 -26,-0.2 -13,-0.3 -1,-0.1 -0.959 58.0-176.6-119.4 139.0 51.7 13.1 41.6 34 39 A D S S+ 0 0 38 -28,-2.2 46,-2.4 -2,-0.4 2,-0.4 0.714 73.7 33.8-102.3 -31.0 54.2 13.9 44.4 35 40 A V E -bc 7 80A 3 -29,-1.7 -27,-2.6 44,-0.2 2,-0.4 -0.995 61.8-165.6-133.3 133.3 56.9 15.8 42.5 36 41 A A E -bc 8 81A 0 44,-3.0 46,-2.3 -2,-0.4 2,-0.4 -0.967 9.8-156.1-119.2 138.0 56.6 18.2 39.6 37 42 A V E -bc 9 82A 0 -29,-2.4 -27,-2.3 -2,-0.4 2,-0.8 -0.970 13.8-136.1-121.3 128.0 59.6 19.3 37.6 38 43 A I E -bc 10 83A 0 44,-2.8 46,-2.4 -2,-0.4 2,-0.6 -0.745 33.2-127.9 -79.7 110.8 59.8 22.5 35.5 39 44 A F E +b 11 0A 18 -29,-2.6 -27,-1.4 -2,-0.8 -26,-0.5 -0.914 64.0 6.3-108.8 112.8 61.4 21.3 32.3 40 45 A A E + 0 0 9 -2,-0.6 17,-0.4 44,-0.4 -1,-0.2 0.648 34.5 158.2-161.5 160.9 63.8 23.1 31.8 41 46 A A E - c 0 85A 0 43,-3.3 45,-1.8 -3,-0.3 2,-0.3 -0.491 42.3-131.7 -90.0 171.1 66.4 25.8 32.5 42 47 A N E -Dc 55 86A 20 13,-3.0 13,-2.9 43,-0.2 2,-0.7 -0.847 10.2-133.8-128.5 160.6 69.7 25.8 30.5 43 48 A I E -Dc 54 87A 0 43,-1.5 45,-1.1 -2,-0.3 47,-0.3 -0.979 37.0-168.5-112.0 108.7 73.4 26.1 31.1 44 49 A N E -D 53 0A 12 9,-3.4 9,-2.0 -2,-0.7 2,-0.4 -0.555 13.2-132.7 -92.1 169.4 74.5 28.5 28.5 45 50 A Y E -D 52 0A 35 7,-0.2 2,-0.8 -2,-0.2 7,-0.2 -0.986 2.7-150.1-132.8 125.6 78.1 29.3 27.5 46 51 A D E >> -D 51 0A 65 5,-3.3 4,-1.6 -2,-0.4 5,-1.3 -0.828 9.1-169.4 -93.3 108.3 79.5 32.7 27.0 47 52 A T T 45S+ 0 0 86 -2,-0.8 -1,-0.2 3,-0.2 5,-0.1 0.740 81.1 63.9 -71.5 -22.4 82.2 32.3 24.3 48 53 A G T 45S+ 0 0 65 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.949 122.9 16.4 -64.8 -51.3 83.5 35.8 25.0 49 54 A T T 45S- 0 0 89 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.441 101.9-124.6 -99.4 -5.6 84.6 35.1 28.6 50 55 A K T <5 + 0 0 156 -4,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.925 65.7 132.8 62.0 44.3 84.5 31.3 28.2 51 56 A T E < -D 46 0A 72 -5,-1.3 -5,-3.3 46,-0.0 2,-0.3 -0.971 53.8-129.4-129.7 145.2 82.1 30.9 31.2 52 57 A A E -D 45 0A 23 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.634 28.7-178.8 -88.0 150.3 78.9 29.0 31.7 53 58 A Y E -D 44 0A 88 -9,-2.0 -9,-3.4 -2,-0.3 2,-0.3 -0.984 30.7-103.4-148.8 152.5 75.9 30.7 33.0 54 59 A L E -D 43 0A 27 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.626 38.3-169.5 -78.8 136.3 72.3 29.8 33.9 55 60 A H E -D 42 0A 65 -13,-2.9 -13,-3.0 -2,-0.3 2,-0.5 -0.982 14.6-164.1-133.6 136.0 69.7 30.7 31.4 56 61 A F - 0 0 37 -2,-0.4 -15,-0.1 -15,-0.2 -2,-0.0 -0.973 20.7-136.9-114.7 123.3 65.9 30.7 31.6 57 62 A N > - 0 0 34 -2,-0.5 4,-2.9 -17,-0.4 3,-0.3 -0.303 39.2 -94.4 -68.2 170.0 64.0 31.0 28.3 58 63 A E H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.773 126.4 53.7 -57.5 -27.1 61.0 33.4 28.5 59 64 A N H > S+ 0 0 43 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.897 111.5 42.5 -74.2 -42.0 58.7 30.5 29.2 60 65 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.934 116.7 49.3 -68.5 -44.0 60.7 29.2 32.2 61 66 A Q H X S+ 0 0 56 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.935 107.2 56.3 -59.4 -45.2 61.1 32.8 33.4 62 67 A R H X S+ 0 0 121 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.908 109.4 44.1 -56.5 -43.2 57.4 33.5 33.0 63 68 A V H < S+ 0 0 9 -4,-1.8 7,-0.3 2,-0.2 3,-0.3 0.914 114.0 50.8 -70.7 -37.5 56.5 30.6 35.3 64 69 A L H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.907 109.2 50.3 -63.4 -45.9 59.2 31.6 37.9 65 70 A D H 3< S+ 0 0 101 -4,-2.9 -1,-0.3 1,-0.3 3,-0.2 0.723 113.3 48.0 -63.9 -25.4 58.0 35.2 37.9 66 71 A N T >X + 0 0 69 -4,-1.0 4,-3.3 -3,-0.3 3,-1.6 -0.104 69.1 133.2-106.9 32.1 54.5 33.9 38.5 67 72 A A H <>> + 0 0 12 -3,-1.5 5,-3.1 1,-0.3 4,-2.2 0.899 66.7 63.9 -49.0 -43.3 55.4 31.5 41.3 68 73 A V H 345S+ 0 0 109 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.843 120.8 21.2 -52.9 -33.4 52.4 32.8 43.3 69 74 A T H <45S+ 0 0 72 -3,-1.6 -2,-0.2 -6,-0.2 -1,-0.2 0.717 132.1 38.9-109.1 -21.0 50.1 31.4 40.7 70 75 A Q H <5S+ 0 0 52 -4,-3.3 -3,-0.2 -7,-0.3 -2,-0.2 0.725 131.5 15.3-100.6 -24.8 52.1 28.8 38.8 71 76 A I T >X5S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.4 3,-0.7 0.759 110.5 67.0-118.8 -44.4 54.0 27.1 41.6 72 77 A R H 3> S+ 0 0 48 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.884 108.2 49.8 -55.6 -34.7 49.3 26.2 44.5 74 79 A L H <4>S+ 0 0 2 -3,-0.7 5,-2.3 1,-0.2 3,-0.3 0.956 112.2 46.6 -66.7 -47.1 51.2 23.0 43.8 75 80 A Q H ><5S+ 0 0 42 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.813 109.8 52.6 -65.7 -33.5 53.3 23.3 46.9 76 81 A Q H 3<5S+ 0 0 167 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 105.9 55.5 -71.7 -28.6 50.4 24.1 49.1 77 82 A Q T 3<5S- 0 0 75 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.496 128.5 -99.5 -79.4 -6.4 48.7 20.9 47.8 78 83 A G T < 5S+ 0 0 42 -3,-0.8 2,-0.4 -4,-0.3 -3,-0.2 0.401 79.6 133.5 104.2 -1.3 51.8 19.0 48.9 79 84 A I < - 0 0 1 -5,-2.3 -1,-0.3 -6,-0.2 -44,-0.2 -0.685 50.0-136.4 -88.3 125.6 53.6 18.6 45.6 80 85 A K E -c 35 0A 101 -46,-2.4 -44,-3.0 -2,-0.4 2,-0.5 -0.573 16.6-147.8 -74.7 150.3 57.3 19.4 45.6 81 86 A V E -c 36 0A 0 -46,-0.2 39,-3.5 -2,-0.2 40,-0.6 -0.977 16.4-178.3-128.9 117.9 58.6 21.5 42.6 82 87 A L E -ce 37 121A 0 -46,-2.3 -44,-2.8 -2,-0.5 2,-0.5 -0.759 22.9-133.4-108.3 160.8 62.0 21.1 41.1 83 88 A L E -ce 38 122A 0 38,-2.0 40,-2.1 -2,-0.3 2,-0.3 -0.972 21.8-146.3-115.1 124.1 63.7 23.1 38.3 84 89 A S E - e 0 123A 0 -46,-2.4 -43,-3.3 -2,-0.5 -44,-0.4 -0.711 11.1-158.9 -91.3 146.6 65.5 20.8 35.8 85 90 A V E +ce 41 124A 0 38,-2.1 40,-2.2 -2,-0.3 2,-0.3 -0.989 11.5 177.8-127.1 136.3 68.7 22.0 34.1 86 91 A L E -ce 42 125A 12 -45,-1.8 -43,-1.5 -2,-0.4 2,-0.4 -0.985 30.7-114.7-141.1 148.4 70.2 20.8 30.8 87 92 A G E -c 43 0A 0 38,-0.8 41,-0.7 -2,-0.3 43,-0.1 -0.670 30.8-145.3 -81.4 132.9 73.1 21.7 28.7 88 93 A N > - 0 0 39 -45,-1.1 3,-0.6 -2,-0.4 -1,-0.1 0.049 39.9 -84.9 -75.0-161.7 72.2 23.1 25.3 89 94 A H T 3 S+ 0 0 112 1,-0.2 40,-0.1 2,-0.1 41,-0.1 -0.097 104.8 101.4-100.7 30.6 74.3 22.4 22.2 90 95 A Q T 3 S- 0 0 35 -47,-0.3 -1,-0.2 2,-0.2 46,-0.2 0.550 97.7-109.3 -91.0 -13.4 76.5 25.3 23.2 91 96 A G S < S+ 0 0 0 38,-1.4 41,-0.6 -3,-0.6 2,-0.5 0.242 81.7 114.7 106.3 -14.6 79.2 23.1 24.6 92 97 A A + 0 0 3 -49,-0.2 -1,-0.3 39,-0.1 2,-0.2 -0.820 36.9 161.9 -95.0 124.9 78.9 23.6 28.3 93 98 A G > - 0 0 0 -2,-0.5 3,-1.0 -6,-0.1 33,-0.1 -0.759 53.5 -98.8-129.5 179.8 77.8 20.6 30.3 94 99 A F T 3 S+ 0 0 0 1,-0.2 3,-0.3 -2,-0.2 53,-0.2 0.609 118.5 55.5 -77.3 -12.4 77.9 19.5 33.9 95 100 A A T 3 S+ 0 0 0 1,-0.2 45,-2.7 48,-0.2 48,-0.3 0.270 100.6 57.2-103.8 10.1 81.0 17.4 33.3 96 101 A N < + 0 0 15 -3,-1.0 41,-0.3 43,-0.2 -1,-0.2 0.046 57.6 136.7-132.7 29.4 83.3 20.0 31.9 97 102 A F - 0 0 9 -3,-0.3 45,-0.1 1,-0.1 49,-0.1 -0.663 53.9-133.7 -72.6 131.1 83.6 22.9 34.3 98 103 A P S S- 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.567 73.2 -4.3 -65.4 -11.0 87.4 23.8 34.3 99 104 A S S > S- 0 0 52 1,-0.1 4,-3.1 44,-0.0 5,-0.3 -0.982 75.7 -91.2-171.7 169.6 87.8 24.0 38.1 100 105 A Q H > S+ 0 0 73 -2,-0.3 4,-3.4 1,-0.3 5,-0.2 0.871 125.1 52.6 -57.0 -40.5 86.1 23.8 41.5 101 106 A Q H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.903 109.9 45.4 -64.8 -43.0 85.7 27.6 41.3 102 107 A A H > S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 3,-0.2 0.973 117.8 45.4 -63.4 -50.4 84.0 27.4 37.9 103 108 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.888 113.5 49.9 -59.4 -40.8 81.8 24.5 39.2 104 109 A S H X S+ 0 0 17 -4,-3.4 4,-2.4 -5,-0.3 -1,-0.2 0.846 105.1 55.9 -69.3 -35.8 81.1 26.3 42.5 105 110 A A H X S+ 0 0 46 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.840 109.9 45.8 -65.8 -37.2 80.0 29.6 40.9 106 111 A F H X S+ 0 0 2 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.851 108.6 56.6 -73.8 -36.6 77.4 27.9 38.8 107 112 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-0.2 0.954 105.9 51.6 -57.2 -46.7 76.2 25.9 41.9 108 113 A K H X S+ 0 0 101 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.875 105.9 55.1 -57.1 -40.1 75.7 29.3 43.5 109 114 A Q H X S+ 0 0 65 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.910 108.3 48.0 -62.0 -41.3 73.6 30.4 40.6 110 115 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 -3,-0.2 3,-0.4 0.912 112.5 48.4 -65.9 -42.3 71.3 27.3 41.0 111 116 A S H X S+ 0 0 11 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.931 106.8 55.2 -63.5 -47.8 70.9 27.9 44.7 112 117 A D H X S+ 0 0 101 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.728 110.3 47.5 -59.5 -22.4 70.1 31.6 44.4 113 118 A A H X S+ 0 0 9 -4,-0.9 4,-2.8 -3,-0.4 -1,-0.2 0.860 111.7 48.2 -84.2 -41.9 67.3 30.7 41.9 114 119 A V H X>S+ 0 0 2 -4,-2.0 5,-1.9 2,-0.2 4,-1.4 0.956 117.1 43.5 -60.6 -50.8 65.9 28.0 44.1 115 120 A A H <5S+ 0 0 73 -4,-3.2 3,-0.3 1,-0.2 -2,-0.2 0.941 115.4 49.0 -60.7 -47.4 66.0 30.3 47.1 116 121 A K H <5S+ 0 0 150 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.882 121.8 32.4 -62.7 -42.0 64.6 33.3 45.1 117 122 A Y H <5S- 0 0 19 -4,-2.8 -1,-0.2 -5,-0.0 -2,-0.2 0.501 106.2-121.2 -96.2 -2.0 61.7 31.4 43.6 118 123 A G T <5 + 0 0 22 -4,-1.4 -3,-0.2 -3,-0.3 2,-0.2 0.971 51.4 165.4 62.1 50.4 61.1 29.1 46.6 119 124 A L < - 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