==== 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 1C92 . 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) . 10737.0 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 . 2 0.8 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 . 19 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 22.6 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 1 1 1 0 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 79 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 121.0 22.1 52.9 57.9 2 7 A Q + 0 0 184 256,-0.2 27,-0.0 255,-0.0 3,-0.0 -0.990 360.0 62.7-135.2 125.8 20.7 53.0 61.5 3 8 A G S S- 0 0 52 -2,-0.4 255,-0.1 231,-0.1 254,-0.1 -0.968 80.3 -7.0 157.3-170.7 21.0 50.3 64.1 4 9 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 231,-0.3 -0.182 69.2-107.7 -52.2 140.9 23.4 48.3 66.3 5 10 A T E -a 235 0A 26 229,-3.2 231,-2.6 199,-0.3 2,-0.3 -0.615 36.8-146.9 -73.5 116.5 27.2 48.7 65.7 6 11 A S E -a 236 0A 0 -2,-0.5 29,-2.1 229,-0.2 28,-1.5 -0.705 12.7-161.3 -86.8 141.9 28.3 45.4 64.0 7 12 A V E -ab 237 35A 0 229,-3.4 231,-2.3 -2,-0.3 2,-0.4 -0.943 7.7-162.6-126.2 143.6 31.8 44.1 64.8 8 13 A A E -ab 238 36A 0 27,-2.6 29,-2.3 -2,-0.4 2,-0.4 -0.940 5.9-156.8-129.1 110.7 33.9 41.6 62.9 9 14 A Y E -ab 239 37A 0 229,-2.3 231,-1.9 -2,-0.4 232,-0.7 -0.740 17.1-156.1 -79.4 129.4 37.0 39.9 64.5 10 15 A V E - b 0 38A 1 27,-2.6 29,-2.0 -2,-0.4 2,-1.6 -0.941 15.6-137.5-115.3 127.8 39.3 38.7 61.7 11 16 A E E >> - b 0 39A 46 -2,-0.5 3,-1.4 230,-0.3 4,-0.9 -0.655 25.9-176.9 -78.7 88.9 41.8 35.9 62.2 12 17 A V T 34 S+ 0 0 18 -2,-1.6 3,-0.2 27,-1.3 -1,-0.2 0.802 70.1 73.6 -61.9 -31.0 44.7 37.5 60.5 13 18 A N T 34 S+ 0 0 41 26,-0.6 -1,-0.3 1,-0.2 27,-0.1 0.691 124.1 9.5 -58.1 -14.5 47.2 34.6 60.8 14 19 A N T <4 S+ 0 0 141 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.337 125.1 54.4-148.4 5.6 45.0 33.0 58.1 15 20 A N S < S- 0 0 48 -4,-0.9 -1,-0.2 -3,-0.2 2,-0.2 -0.998 74.8-107.5-147.4 150.7 42.6 35.6 56.6 16 21 A S > - 0 0 41 -2,-0.3 3,-0.8 1,-0.1 4,-0.1 -0.485 10.1-145.4 -79.8 147.7 42.6 39.1 55.1 17 22 A M G > S+ 0 0 1 1,-0.2 3,-1.8 -2,-0.2 4,-0.3 0.843 95.3 74.7 -73.8 -34.8 41.4 42.2 56.9 18 23 A L G > S+ 0 0 54 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.606 75.6 76.4 -56.3 -13.9 40.2 43.4 53.6 19 24 A N G X S+ 0 0 13 -3,-0.8 3,-0.9 1,-0.2 -1,-0.3 0.731 83.0 67.4 -71.9 -22.2 37.2 41.1 53.5 20 25 A V G X S+ 0 0 0 -3,-1.8 3,-0.8 1,-0.2 13,-0.4 0.816 96.9 51.8 -66.9 -36.0 35.2 43.2 56.1 21 26 A G G < S+ 0 0 12 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.373 91.0 78.2 -84.0 4.4 34.8 46.2 53.7 22 27 A K G < S+ 0 0 59 -3,-0.9 243,-1.6 -4,-0.1 2,-0.5 0.496 80.7 76.7 -90.8 -4.4 33.4 44.0 50.9 23 28 A Y E < +K 264 0B 0 -3,-0.8 9,-2.3 241,-0.2 10,-0.5 -0.935 55.2 159.2-110.3 125.1 29.9 43.8 52.5 24 29 A T E -KL 263 31B 49 239,-2.0 239,-2.7 -2,-0.5 7,-0.3 -0.886 44.9 -85.8-136.8 166.1 27.5 46.7 52.3 25 30 A L E > -K 262 0B 6 5,-2.8 3,-1.0 -2,-0.3 5,-0.4 -0.526 23.1-138.4 -77.8 143.3 23.7 47.0 52.6 26 31 A A T 3 S+ 0 0 62 235,-3.5 2,-0.4 1,-0.3 -1,-0.1 0.904 100.5 69.3 -64.9 -37.9 21.5 46.5 49.6 27 32 A D T 3 S- 0 0 93 234,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.214 120.2-105.2 -67.7 18.1 19.4 49.5 50.6 28 33 A G S < S+ 0 0 73 -3,-1.0 -1,-0.2 -2,-0.4 -2,-0.1 0.628 85.3 131.2 65.1 17.9 22.4 51.9 49.8 29 34 A G - 0 0 21 1,-0.2 2,-0.3 -27,-0.0 -3,-0.1 0.601 61.1-108.6 -79.1 -20.5 22.9 52.1 53.6 30 35 A G - 0 0 30 -5,-0.4 -5,-2.8 -29,-0.0 -1,-0.2 -0.852 61.7 -4.1 129.6-164.8 26.6 51.5 54.1 31 36 A N B -L 24 0B 22 -2,-0.3 -7,-0.3 -7,-0.3 -10,-0.1 -0.443 47.3-143.9 -69.1 142.3 29.0 48.9 55.4 32 37 A A S S+ 0 0 0 -9,-2.3 2,-0.5 -12,-0.2 -26,-0.2 0.823 91.5 54.7 -72.8 -30.3 27.5 45.9 57.0 33 38 A F + 0 0 0 -10,-0.5 -26,-0.2 -13,-0.4 -1,-0.1 -0.911 57.5 179.5-109.3 127.0 30.4 46.0 59.5 34 39 A D S S+ 0 0 42 -28,-1.5 46,-2.4 -2,-0.5 2,-0.4 0.830 72.9 36.1 -92.6 -34.5 31.2 49.1 61.5 35 40 A V E -bc 7 80A 7 -29,-2.1 -27,-2.6 44,-0.2 2,-0.4 -0.968 61.7-167.5-125.7 135.8 34.2 47.8 63.5 36 41 A A E -bc 8 81A 0 44,-2.9 46,-2.4 -2,-0.4 2,-0.5 -0.957 11.4-154.2-118.8 136.3 36.9 45.4 62.3 37 42 A V E -bc 9 82A 0 -29,-2.3 -27,-2.6 -2,-0.4 2,-0.7 -0.962 12.8-137.0-121.5 118.7 39.3 43.8 64.9 38 43 A I E -bc 10 83A 0 44,-3.5 46,-2.6 -2,-0.5 2,-0.6 -0.629 35.1-127.5 -69.5 111.4 42.9 42.6 64.1 39 44 A F E +b 11 0A 17 -29,-2.0 -27,-1.3 -2,-0.7 -26,-0.6 -0.930 61.0 0.2-111.9 115.1 43.1 39.3 66.0 40 45 A A E + 0 0 7 -2,-0.6 17,-0.4 44,-0.5 45,-0.2 0.651 33.6 159.2-161.0 155.8 45.5 39.2 67.7 41 46 A A E - c 0 85A 0 43,-3.4 45,-2.7 -3,-0.3 2,-0.3 -0.614 44.8-132.3 -92.0 164.9 48.7 40.5 69.3 42 47 A N E -Dc 55 86A 12 13,-3.0 13,-3.3 43,-0.3 2,-0.7 -0.791 10.6-124.2-124.2 161.5 49.7 38.8 72.6 43 48 A I E +Dc 54 87A 0 43,-2.0 45,-0.7 -2,-0.3 47,-0.4 -0.930 42.2 178.7-101.2 114.5 50.9 39.4 76.1 44 49 A N E -D 53 0A 9 9,-2.5 9,-1.8 -2,-0.7 2,-0.4 -0.623 20.0-126.0-109.4 176.6 54.1 37.5 76.4 45 50 A Y E -D 52 0A 35 7,-0.3 2,-0.8 -2,-0.2 7,-0.2 -0.991 4.3-152.9-134.0 134.7 56.6 37.2 79.3 46 51 A D E >> -D 51 0A 74 5,-2.5 5,-1.9 -2,-0.4 4,-0.9 -0.914 16.0-169.2-101.5 103.0 60.3 37.9 79.6 47 52 A T T >45S+ 0 0 76 -2,-0.8 3,-0.6 1,-0.2 -1,-0.2 0.921 79.9 56.3 -62.3 -47.2 61.2 35.5 82.4 48 53 A G T 345S+ 0 0 75 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.787 119.3 30.6 -56.0 -35.8 64.7 36.9 82.9 49 54 A T T 345S- 0 0 85 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.391 104.6-127.1-104.1 0.3 63.6 40.5 83.5 50 55 A K T <<5 + 0 0 161 -4,-0.9 2,-0.4 -3,-0.6 -3,-0.2 0.916 65.4 127.2 55.9 45.5 60.3 39.4 85.0 51 56 A T E < -D 46 0A 72 -5,-1.9 -5,-2.5 46,-0.0 -1,-0.2 -0.992 55.1-132.2-141.4 138.6 58.3 41.6 82.6 52 57 A A E -D 45 0A 22 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.3 -0.476 26.6-167.7 -79.9 153.1 55.4 41.2 80.2 53 58 A Y E -D 44 0A 82 -9,-1.8 -9,-2.5 -2,-0.1 2,-0.9 -0.970 31.6-104.2-141.9 156.0 55.6 42.6 76.7 54 59 A L E -D 43 0A 14 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.753 46.4-163.1 -83.0 105.0 53.3 43.3 73.8 55 60 A H E -D 42 0A 47 -13,-3.3 -13,-3.0 -2,-0.9 2,-0.5 -0.732 10.3-162.7 -93.7 142.1 54.1 40.5 71.4 56 61 A F - 0 0 45 -2,-0.3 2,-0.1 -15,-0.2 -15,-0.1 -0.985 16.8-134.8-127.2 120.4 53.3 40.3 67.7 57 62 A N >> - 0 0 59 -2,-0.5 4,-3.0 -17,-0.4 3,-1.4 -0.508 32.8-112.1 -65.7 147.0 53.3 37.1 65.7 58 63 A E H 3> S+ 0 0 149 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.814 119.5 54.6 -53.3 -32.8 55.0 37.8 62.4 59 64 A N H 3> S+ 0 0 94 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.835 112.2 44.8 -71.0 -29.9 51.7 37.3 60.5 60 65 A V H X> S+ 0 0 0 -3,-1.4 4,-1.7 2,-0.2 3,-0.9 0.930 108.9 55.3 -77.9 -41.4 50.3 40.0 62.7 61 66 A Q H 3X S+ 0 0 40 -4,-3.0 4,-3.1 1,-0.3 5,-0.2 0.865 103.1 59.0 -56.6 -38.4 53.3 42.2 62.3 62 67 A R H 3X S+ 0 0 112 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.3 0.836 100.9 51.7 -61.7 -36.2 52.8 42.0 58.6 63 68 A V H << S+ 0 0 10 -3,-0.9 7,-0.3 -4,-0.8 8,-0.2 0.957 114.2 46.1 -66.5 -41.2 49.3 43.5 58.8 64 69 A L H >< S+ 0 0 2 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.952 113.1 47.3 -63.2 -54.4 50.8 46.4 60.8 65 70 A D H 3< S+ 0 0 79 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.838 118.4 42.3 -55.6 -41.2 53.7 46.9 58.5 66 71 A N T >X S+ 0 0 86 -4,-2.2 4,-2.1 -5,-0.2 3,-1.8 0.033 75.6 134.8 -99.3 30.8 51.5 46.8 55.5 67 72 A A H <>> + 0 0 7 -3,-1.9 5,-2.7 1,-0.3 4,-2.0 0.756 63.6 62.5 -46.1 -39.7 48.8 49.0 57.1 68 73 A V H 345S+ 0 0 113 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.814 116.7 29.7 -60.4 -33.4 48.3 51.2 54.0 69 74 A T H <45S+ 0 0 72 -3,-1.8 -2,-0.2 -6,-0.2 -1,-0.2 0.730 130.3 35.9 -99.7 -22.9 47.2 48.2 52.0 70 75 A Q H <5S+ 0 0 57 -4,-2.1 -3,-0.2 -7,-0.3 -2,-0.2 0.813 130.5 16.7-100.1 -37.0 45.5 46.0 54.7 71 76 A I T >X5S+ 0 0 0 -4,-2.0 3,-2.2 -5,-0.2 4,-1.5 0.825 111.6 66.7-105.1 -48.1 43.9 48.4 57.2 72 77 A R H 3> S+ 0 0 42 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.763 107.8 47.4 -59.0 -25.3 41.0 50.6 52.8 74 79 A L H <4>S+ 0 0 2 -3,-2.2 5,-2.3 2,-0.2 3,-0.5 0.939 113.7 45.1 -77.2 -51.6 38.6 49.7 55.7 75 80 A Q H ><5S+ 0 0 40 -4,-1.5 3,-1.6 1,-0.2 -3,-0.1 0.857 108.2 57.7 -59.3 -38.7 39.1 53.0 57.6 76 81 A Q H 3<5S+ 0 0 178 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.870 106.6 51.2 -58.5 -36.7 38.8 55.0 54.3 77 82 A Q T 3<5S- 0 0 74 -4,-0.7 -1,-0.3 -3,-0.5 -46,-0.2 0.384 129.8 -95.4 -81.9 -4.5 35.4 53.4 53.9 78 83 A G T < 5S+ 0 0 51 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.430 81.4 132.6 103.2 1.0 34.2 54.3 57.5 79 84 A I < - 0 0 3 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.3 -0.697 50.6-136.1 -90.4 130.5 35.2 51.1 59.3 80 85 A K E -c 35 0A 95 -46,-2.4 -44,-2.9 -2,-0.4 2,-0.5 -0.679 16.0-147.1 -84.8 140.2 37.1 51.5 62.6 81 86 A V E -c 36 0A 0 -2,-0.3 39,-3.4 -46,-0.2 40,-0.6 -0.946 15.9-176.4-121.6 118.0 40.0 49.1 63.1 82 87 A L E -ce 37 121A 1 -46,-2.4 -44,-3.5 -2,-0.5 2,-0.5 -0.729 20.8-135.4-105.9 149.1 41.0 47.8 66.6 83 88 A L E -ce 38 122A 0 38,-2.1 40,-2.3 -2,-0.3 2,-0.3 -0.925 20.9-150.6-104.6 128.9 43.9 45.6 67.6 84 89 A S E - e 0 123A 0 -46,-2.6 -43,-3.4 -2,-0.5 -44,-0.5 -0.797 3.7-153.9 -99.7 147.4 43.0 42.8 70.0 85 90 A V E -ce 41 124A 0 38,-1.8 40,-2.2 -2,-0.3 2,-0.3 -0.992 14.0-173.5-124.7 128.8 45.5 41.4 72.6 86 91 A L E -ce 42 125A 17 -45,-2.7 -43,-2.0 -2,-0.4 40,-0.2 -0.825 32.0 -97.4-122.5 154.9 45.3 37.8 73.9 87 92 A G E -c 43 0A 2 40,-1.5 42,-0.3 38,-0.8 -43,-0.1 -0.323 30.8-158.1 -63.2 157.4 47.0 35.8 76.6 88 93 A N - 0 0 40 -45,-0.7 41,-0.2 4,-0.5 -43,-0.1 -0.034 47.7 -90.5-137.3 37.3 49.7 33.6 75.1 89 94 A H S S+ 0 0 93 39,-2.7 40,-0.2 3,-0.1 41,-0.1 0.725 95.5 119.1 61.8 26.9 50.4 30.7 77.5 90 95 A Q S S- 0 0 41 -47,-0.4 2,-0.5 2,-0.4 40,-0.2 0.449 80.6-120.0-101.3 -7.4 53.0 32.9 79.1 91 96 A G S S+ 0 0 0 38,-3.4 41,-0.4 1,-0.3 2,-0.2 -0.213 85.9 107.1 93.5 -44.2 51.8 33.3 82.7 92 97 A A + 0 0 4 -2,-0.5 -4,-0.5 39,-0.1 -2,-0.4 -0.504 46.4 156.3 -70.4 129.0 51.7 37.1 82.0 93 98 A G > - 0 0 1 -2,-0.2 3,-1.6 -3,-0.1 4,-0.4 -0.919 57.3 -92.1-146.2 173.9 48.1 38.3 81.7 94 99 A F T 3 S+ 0 0 0 -2,-0.3 3,-0.3 1,-0.3 53,-0.2 0.769 125.4 47.0 -63.4 -25.8 46.0 41.5 82.0 95 100 A A T 3 S+ 0 0 0 1,-0.2 45,-2.6 48,-0.2 -1,-0.3 0.190 104.7 71.2 -99.7 21.4 45.1 40.7 85.7 96 101 A N < + 0 0 9 -3,-1.6 41,-0.3 43,-0.2 -1,-0.2 0.588 52.2 121.7-114.7 -19.9 48.7 39.9 86.4 97 102 A F - 0 0 10 -4,-0.4 46,-0.3 -3,-0.3 49,-0.1 -0.380 52.3-147.0 -55.6 122.9 50.9 43.1 86.4 98 103 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.615 72.6 17.5 -67.2 -16.7 52.5 43.3 89.9 99 104 A S S > S- 0 0 54 1,-0.1 4,-2.3 43,-0.0 5,-0.2 -0.979 77.2-106.4-152.6 168.6 52.5 47.1 90.0 100 105 A Q H > S+ 0 0 83 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.957 119.8 49.4 -59.7 -54.2 51.0 50.3 88.6 101 106 A Q H > S+ 0 0 152 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.783 108.9 53.1 -60.5 -27.2 54.2 51.1 86.7 102 107 A A H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 113.3 42.5 -71.3 -46.8 54.4 47.6 85.3 103 108 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.935 113.6 54.6 -62.4 -43.6 50.8 47.8 84.0 104 109 A S H X S+ 0 0 35 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.860 104.0 53.5 -58.2 -44.1 51.6 51.3 82.8 105 110 A A H X S+ 0 0 62 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.912 112.1 44.3 -59.2 -44.5 54.6 50.2 80.8 106 111 A F H X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.914 107.9 61.0 -67.3 -37.3 52.5 47.7 78.9 107 112 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.886 103.7 49.3 -54.8 -42.9 49.9 50.4 78.6 108 113 A K H X S+ 0 0 121 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.877 105.1 55.9 -66.4 -40.3 52.3 52.5 76.6 109 114 A Q H X S+ 0 0 81 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.881 110.8 47.5 -60.7 -32.5 53.2 49.6 74.3 110 115 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.903 113.2 45.6 -74.0 -43.5 49.5 49.3 73.5 111 116 A S H X S+ 0 0 15 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.849 113.5 50.0 -69.8 -33.9 49.0 53.1 72.9 112 117 A D H X S+ 0 0 69 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.859 106.7 53.6 -70.0 -41.1 52.1 53.4 70.8 113 118 A A H X S+ 0 0 7 -4,-1.5 4,-1.6 -5,-0.3 6,-0.3 0.933 111.2 47.9 -58.1 -44.3 51.2 50.4 68.6 114 119 A V H <>S+ 0 0 4 -4,-1.6 5,-1.4 1,-0.2 4,-0.3 0.818 113.8 48.3 -64.4 -35.9 47.9 52.3 68.0 115 120 A A H ><5S+ 0 0 76 -4,-1.4 3,-0.6 3,-0.2 -2,-0.2 0.921 113.4 42.9 -74.5 -47.9 49.7 55.5 67.3 116 121 A K H 3<5S+ 0 0 146 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.770 120.0 42.2 -74.1 -21.9 52.3 54.2 64.8 117 122 A Y T 3<5S- 0 0 23 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.351 106.3-121.4-104.0 5.0 49.8 52.0 62.9 118 123 A G T < 5 + 0 0 30 -3,-0.6 -3,-0.2 -4,-0.3 -37,-0.2 0.795 53.7 163.6 62.0 30.4 47.0 54.5 62.8 119 124 A L < - 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