==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-05 2C1I . COMPND 2 MOLECULE: PEPTIDOGLYCAN GLCNAC DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR D.E.BLAIR,A.W.SCHUTTELKOPF,J.I.MACRAE,D.M.F.VAN AALTEN . 383 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 . 1 0.3 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 . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 0 1 1 1 0 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 1 2 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 PARALLEL BRIDGES PER LADDER . 3 1 0 2 0 0 0 1 0 2 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 1 0 0 1 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 46 A F > 0 0 189 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -51.8 54.9 3.0 47.5 2 47 A E H > + 0 0 143 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.890 360.0 51.8 -57.0 -40.1 52.3 4.4 49.9 3 48 A Q H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.808 105.3 55.1 -66.2 -31.1 54.6 7.3 50.6 4 49 A K H > S+ 0 0 98 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.922 108.2 48.0 -69.7 -41.4 55.0 7.9 46.9 5 50 A I H X S+ 0 0 36 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 110.6 52.8 -62.6 -43.6 51.2 8.2 46.5 6 51 A E H X S+ 0 0 95 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.910 107.3 52.0 -59.8 -38.4 51.2 10.6 49.5 7 52 A S H X S+ 0 0 36 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.898 107.8 51.1 -68.9 -37.0 53.8 12.7 47.8 8 53 A L H X S+ 0 0 16 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.929 112.4 46.6 -63.0 -43.5 51.7 13.0 44.7 9 54 A K H X S+ 0 0 49 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.906 113.1 49.1 -64.9 -39.3 48.7 14.1 46.7 10 55 A K H X S+ 0 0 129 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.929 109.9 51.6 -67.2 -41.8 50.8 16.6 48.6 11 56 A E H X S+ 0 0 81 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.928 110.4 48.8 -60.2 -45.4 52.3 18.0 45.4 12 57 A K H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.897 111.7 48.6 -66.4 -37.6 48.9 18.5 43.9 13 58 A D H X S+ 0 0 49 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.912 110.7 51.0 -64.7 -40.2 47.6 20.3 47.0 14 59 A D H < S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.885 118.8 38.5 -62.5 -37.1 50.6 22.5 47.1 15 60 A Q H < S+ 0 0 121 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.835 133.2 17.1 -74.9 -39.8 50.0 23.4 43.4 16 61 A L H < S+ 0 0 21 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.407 84.8 101.9-124.9 -1.9 46.2 23.6 43.4 17 62 A S >< + 0 0 59 -4,-2.3 3,-1.3 -5,-0.2 2,-0.2 0.907 68.9 81.7 -60.3 -38.9 44.6 24.0 46.8 18 63 A E T 3 S+ 0 0 171 -5,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.408 103.4 7.6 -72.4 130.9 44.0 27.8 46.4 19 64 A G T 3 S+ 0 0 43 1,-0.2 19,-2.7 -2,-0.2 2,-0.3 0.509 116.4 86.5 80.1 5.5 41.0 28.9 44.5 20 65 A N E < -A 37 0A 22 -3,-1.3 2,-0.4 17,-0.3 -1,-0.2 -0.900 67.8-137.0-131.8 156.6 39.6 25.3 44.2 21 66 A Q E -A 36 0A 94 15,-2.4 15,-2.8 -2,-0.3 2,-0.6 -0.978 28.6-134.7-112.4 134.4 37.5 22.9 46.2 22 67 A K E -A 35 0A 103 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.789 17.8-168.8 -98.1 123.6 38.9 19.4 46.2 23 68 A E E -A 34 0A 73 11,-3.2 11,-2.4 -2,-0.6 2,-0.4 -0.840 6.2-172.5-105.1 144.5 36.6 16.4 45.7 24 69 A H E +A 33 0A 102 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 19.0 132.6-141.9 134.1 37.9 12.9 46.3 25 70 A F E -A 32 0A 44 7,-2.2 7,-3.2 -2,-0.4 2,-0.4 -0.978 44.4-115.0-166.5 165.6 36.3 9.5 45.6 26 71 A R E -A 31 0A 182 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.907 19.9-171.5-111.2 143.5 36.8 6.1 44.1 27 72 A Q E > -A 30 0A 93 3,-2.4 3,-1.7 -2,-0.4 2,-0.3 -0.902 66.9 -42.7-133.4 113.8 35.1 4.9 41.0 28 73 A G T 3 S- 0 0 61 -2,-0.4 33,-0.1 1,-0.3 32,-0.0 -0.572 124.6 -25.3 61.7-134.8 35.7 1.3 40.3 29 74 A Q T 3 S+ 0 0 129 -2,-0.3 35,-0.4 -3,-0.1 2,-0.3 0.470 119.9 101.8 -84.8 -3.7 39.4 0.6 40.9 30 75 A A E < -A 27 0A 0 -3,-1.7 -3,-2.4 33,-0.2 2,-0.5 -0.621 60.6-150.4 -89.8 137.5 40.2 4.2 40.2 31 76 A E E -Ab 26 65A 22 33,-2.5 35,-3.0 -2,-0.3 2,-0.4 -0.946 22.2-164.0 -98.3 130.2 41.0 6.8 42.9 32 77 A V E -Ab 25 66A 0 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.4 -0.943 18.6-176.7-123.5 136.0 40.0 10.3 41.7 33 78 A I E -Ab 24 67A 4 33,-2.7 35,-2.1 -2,-0.4 2,-0.4 -0.998 12.7-173.4-128.6 119.2 40.9 13.8 43.0 34 79 A A E -Ab 23 68A 0 -11,-2.4 -11,-3.2 -2,-0.4 2,-0.7 -0.981 15.4-154.2-117.3 131.3 39.2 16.7 41.3 35 80 A Y E -A 22 0A 2 33,-2.8 -13,-0.2 -2,-0.4 35,-0.2 -0.905 15.8-162.6-102.9 105.9 39.9 20.4 41.9 36 81 A Y E -A 21 0A 8 -15,-2.8 -15,-2.4 -2,-0.7 2,-0.1 -0.800 20.6-120.7 -91.2 130.8 36.8 22.4 41.0 37 82 A P E -A 20 0A 0 0, 0.0 7,-2.5 0, 0.0 2,-0.3 -0.370 19.3-139.8 -76.3 146.6 37.5 26.1 40.5 38 83 A L E -F 43 0B 26 -19,-2.7 2,-0.5 5,-0.2 5,-0.2 -0.726 6.5-157.2 -95.9 146.3 35.8 28.8 42.5 39 84 A Q E > S-F 42 0B 63 3,-2.8 3,-1.5 -2,-0.3 2,-0.7 -0.977 82.8 -40.6-122.3 112.8 34.4 32.1 41.2 40 85 A G T 3 S- 0 0 66 -2,-0.5 -2,-0.1 1,-0.2 -21,-0.1 -0.612 127.3 -28.0 60.0-109.3 34.5 34.1 44.4 41 86 A E T 3 S+ 0 0 149 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.2 0.065 121.6 90.5-121.0 18.3 33.2 31.6 46.9 42 87 A K E < S-F 39 0B 124 -3,-1.5 -3,-2.8 0, 0.0 2,-0.1 -0.964 77.5-116.0-125.9 132.1 31.1 29.5 44.5 43 88 A V E -F 38 0B 22 -2,-0.4 2,-0.9 -5,-0.2 -5,-0.2 -0.385 37.1-113.1 -60.4 134.3 32.0 26.4 42.5 44 89 A I >> - 0 0 3 -7,-2.5 4,-2.0 1,-0.2 3,-0.9 -0.620 31.0-155.2 -73.6 105.8 31.8 27.1 38.7 45 90 A S H 3> S+ 0 0 61 -2,-0.9 4,-2.2 65,-0.3 -1,-0.2 0.861 85.3 51.4 -59.9 -42.0 28.9 24.8 37.9 46 91 A S H 3> S+ 0 0 30 64,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.771 109.8 51.6 -72.7 -21.8 29.5 24.2 34.3 47 92 A V H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.925 108.2 50.8 -75.0 -43.6 33.1 23.1 34.9 48 93 A R H X S+ 0 0 86 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.918 110.5 52.2 -56.9 -43.8 32.1 20.7 37.6 49 94 A E H X S+ 0 0 89 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.919 106.7 50.6 -60.7 -42.7 29.6 19.2 35.1 50 95 A L H X S+ 0 0 64 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.941 113.0 46.6 -63.8 -42.0 32.2 18.8 32.4 51 96 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.942 111.5 51.4 -62.1 -46.2 34.5 16.9 34.8 52 97 A N H X S+ 0 0 44 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.860 106.2 55.4 -62.1 -34.3 31.6 14.7 36.1 53 98 A Q H X S+ 0 0 63 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.908 107.4 48.3 -63.9 -39.8 30.7 13.8 32.6 54 99 A D H X>S+ 0 0 10 -4,-1.7 4,-2.5 1,-0.2 5,-1.2 0.914 108.7 54.8 -67.2 -41.8 34.2 12.6 31.9 55 100 A V H <5S+ 0 0 11 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.907 112.3 44.2 -54.6 -43.1 34.1 10.6 35.2 56 101 A K H <5S+ 0 0 141 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.902 127.4 23.2 -67.4 -39.5 30.8 8.8 34.0 57 102 A D H <5S+ 0 0 104 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.805 131.4 24.4-104.5 -34.6 31.8 8.0 30.5 58 103 A K T <5S+ 0 0 129 -4,-2.5 2,-0.6 -5,-0.3 -3,-0.2 0.491 82.9 109.8-121.5 -10.8 35.5 7.9 30.0 59 104 A L < - 0 0 26 -5,-1.2 2,-0.3 -4,-0.4 -29,-0.1 -0.617 60.4-143.8 -74.3 119.2 37.0 7.1 33.4 60 105 A E - 0 0 124 -2,-0.6 2,-2.1 1,-0.1 4,-0.1 -0.615 15.0-121.0 -90.0 143.6 38.4 3.5 33.2 61 106 A S + 0 0 66 -2,-0.3 2,-0.3 -32,-0.1 -33,-0.1 -0.475 66.3 131.7 -81.7 68.8 38.2 1.1 36.1 62 107 A K S S- 0 0 118 -2,-2.1 2,-2.1 -34,-0.0 0, 0.0 -0.766 74.1 -94.0-113.6 160.1 42.0 0.6 36.3 63 108 A D S S+ 0 0 123 -2,-0.3 2,-0.3 -33,-0.1 -33,-0.2 -0.569 82.0 124.5 -75.5 81.6 44.3 0.7 39.4 64 109 A N - 0 0 19 -2,-2.1 -33,-2.5 -35,-0.4 2,-0.5 -0.904 63.0-126.9-136.2 168.4 45.2 4.3 38.9 65 110 A L E -bC 31 90A 6 25,-2.1 25,-3.1 -2,-0.3 2,-0.4 -0.991 32.5-166.5-114.8 120.3 45.2 7.7 40.6 66 111 A V E -bC 32 89A 0 -35,-3.0 -33,-2.7 -2,-0.5 2,-0.4 -0.949 6.0-167.5-116.3 130.8 43.4 10.3 38.5 67 112 A F E -bC 33 88A 0 21,-2.7 21,-2.8 -2,-0.4 2,-0.4 -0.945 2.3-170.1-114.2 139.1 43.5 14.1 38.9 68 113 A Y E +bC 34 87A 0 -35,-2.1 -33,-2.8 -2,-0.4 2,-0.3 -0.977 20.5 147.4-119.1 140.9 41.3 16.7 37.3 69 114 A Y E - C 0 86A 24 17,-1.9 17,-2.9 -2,-0.4 2,-0.3 -0.966 25.7-140.0-159.7 174.5 42.0 20.4 37.5 70 115 A T E - C 0 85A 5 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.886 3.7-153.3-137.8 165.6 41.7 23.7 35.6 71 116 A E E - C 0 84A 97 13,-1.6 13,-2.4 -2,-0.3 2,-0.3 -0.992 23.1-125.6-137.2 142.2 43.3 26.9 34.7 72 117 A Q E + C 0 83A 87 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.631 33.6 172.8 -80.5 141.5 41.6 30.1 33.7 73 118 A E E - C 0 82A 88 9,-2.4 9,-3.2 -2,-0.3 2,-0.1 -0.957 38.0 -92.6-139.0 161.5 42.7 31.7 30.4 74 119 A E E - C 0 81A 138 -2,-0.3 7,-0.2 7,-0.2 4,-0.1 -0.423 25.8-150.5 -66.0 151.0 41.6 34.7 28.3 75 120 A S - 0 0 5 5,-1.1 71,-0.4 2,-0.4 6,-0.1 0.637 33.5-117.5 -97.9 -19.5 39.1 33.8 25.6 76 121 A G S S+ 0 0 24 1,-0.4 98,-0.5 4,-0.3 2,-0.3 0.391 88.9 96.0 89.2 -3.4 40.0 36.5 23.1 77 122 A L B > S-G 173 0C 5 3,-0.4 3,-1.4 96,-0.1 -2,-0.4 -0.909 87.4 -97.7-116.4 149.5 36.4 37.9 23.4 78 123 A K T 3 S+ 0 0 122 94,-2.7 3,-0.1 -2,-0.3 96,-0.0 -0.458 103.8 3.4 -72.7 126.8 35.5 40.8 25.8 79 124 A G T 3 S+ 0 0 55 -2,-0.2 29,-0.7 1,-0.2 2,-0.4 0.606 107.4 108.0 77.8 13.8 34.0 39.8 29.1 80 125 A V E < - D 0 107A 4 -3,-1.4 -5,-1.1 27,-0.2 -3,-0.4 -0.983 43.7-177.3-124.3 134.6 34.5 36.0 28.4 81 126 A V E -CD 74 106A 12 25,-2.9 25,-3.3 -2,-0.4 2,-0.4 -0.886 16.3-133.9-123.1 159.6 37.1 33.7 30.0 82 127 A N E -CD 73 105A 2 -9,-3.2 -9,-2.4 -2,-0.3 2,-0.5 -0.875 2.0-151.9-111.4 148.3 37.9 30.1 29.5 83 128 A R E -CD 72 104A 30 21,-2.5 21,-2.1 -2,-0.4 2,-0.4 -0.985 15.4-157.7-109.4 117.9 38.5 27.2 31.9 84 129 A N E -CD 71 103A 8 -13,-2.4 -13,-1.6 -2,-0.5 2,-0.5 -0.837 10.7-142.6 -89.9 133.9 40.8 24.6 30.4 85 130 A V E -CD 70 102A 1 17,-2.8 16,-3.3 -2,-0.4 17,-1.0 -0.887 12.8-165.6-105.2 123.5 40.5 21.1 32.0 86 131 A T E -C 69 0A 5 -17,-2.9 -17,-1.9 -2,-0.5 2,-0.4 -0.877 0.9-165.4-104.3 137.5 43.5 18.9 32.6 87 132 A K E -CD 68 98A 18 11,-2.1 11,-2.7 -2,-0.4 2,-0.5 -0.988 5.9-172.6-121.3 127.8 43.2 15.2 33.3 88 133 A Q E -CD 67 97A 6 -21,-2.8 -21,-2.7 -2,-0.4 2,-0.5 -0.988 4.2-164.5-125.7 130.4 46.2 13.3 34.7 89 134 A I E -CD 66 96A 56 7,-2.9 7,-2.1 -2,-0.5 2,-0.5 -0.950 1.9-163.8-116.2 125.1 46.4 9.6 35.2 90 135 A Y E CD 65 95A 20 -25,-3.1 -25,-2.1 -2,-0.5 5,-0.2 -0.889 360.0 360.0-103.7 134.9 49.0 7.9 37.3 91 136 A D 0 0 125 3,-2.6 3,-2.1 -2,-0.5 -27,-0.2 -0.948 360.0 360.0-104.8 360.0 49.7 4.1 37.0 92 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 93 142 A I 0 0 150 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 102.1 55.3 5.6 38.7 94 143 A E - 0 0 90 -3,-2.1 -3,-2.6 2,-0.0 2,-0.3 -0.843 360.0-178.7-101.1 148.6 54.1 6.1 35.1 95 144 A E E -D 90 0A 79 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.998 15.4-172.3-144.9 152.7 51.9 9.1 34.3 96 145 A T E -D 89 0A 85 -7,-2.1 -7,-2.9 -2,-0.3 2,-0.4 -0.995 11.0-167.3-139.2 137.4 50.0 10.7 31.3 97 146 A E E -D 88 0A 95 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.906 12.9-157.0-124.0 149.8 48.3 14.0 31.2 98 147 A K E > -D 87 0A 115 -11,-2.7 -11,-2.1 -2,-0.4 3,-0.6 -0.979 11.3-157.5-113.3 114.0 45.9 15.7 28.8 99 148 A T E 3 S+ 0 0 89 -2,-0.4 -13,-0.2 1,-0.3 -14,-0.1 -0.635 84.7 16.2 -81.9 155.7 45.8 19.6 28.9 100 149 A S E 3 + 0 0 42 -2,-0.2 -1,-0.3 2,-0.1 -14,-0.2 0.925 69.7 162.2 33.8 54.1 42.5 21.0 27.5 101 150 A L E < S- 0 0 62 -16,-3.3 2,-0.3 -3,-0.6 -15,-0.2 0.840 82.4 -15.6 -49.1 -36.7 40.9 17.5 27.9 102 151 A G E S-D 85 0A 15 -17,-1.0 -17,-2.8 2,-0.0 2,-0.3 -0.952 70.2-144.7-157.3 172.3 38.0 20.0 27.5 103 152 A K E -D 84 0A 46 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.996 3.7-162.9-147.0 143.3 37.2 23.7 27.8 104 153 A V E -D 83 0A 20 -21,-2.1 -21,-2.5 -2,-0.3 2,-0.4 -0.968 15.0-140.5-123.3 143.1 34.3 25.9 28.9 105 154 A H E -D 82 0A 21 8,-0.4 8,-2.5 -2,-0.4 2,-0.3 -0.878 29.1-177.8-100.4 143.1 33.7 29.5 28.1 106 155 A L E -DE 81 112A 0 -25,-3.3 -25,-2.9 -2,-0.4 -31,-0.1 -0.951 31.4-116.0-142.6 146.9 32.4 31.6 30.9 107 156 A T E > -D 80 0A 34 4,-2.3 3,-1.9 -2,-0.3 -27,-0.2 -0.346 50.7 -99.2 -68.9 162.4 31.3 35.1 31.8 108 157 A E T 3 S+ 0 0 149 -29,-0.7 -1,-0.1 1,-0.3 -28,-0.1 0.810 125.2 56.7 -59.0 -24.9 33.5 36.8 34.4 109 158 A D T 3 S- 0 0 104 2,-0.1 -1,-0.3 -70,-0.0 -70,-0.1 0.244 124.8 -99.9 -96.1 15.5 31.0 35.8 37.1 110 159 A G S < S+ 0 0 8 -3,-1.9 -64,-0.4 1,-0.2 -65,-0.3 0.697 75.8 134.6 85.4 22.4 31.2 32.1 36.2 111 160 A Q - 0 0 82 1,-0.1 -4,-2.3 -67,-0.1 -1,-0.2 -0.653 63.3 -85.4-104.7 153.6 28.1 31.5 34.1 112 161 A P B -E 106 0A 75 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.332 36.6-165.5 -61.9 134.4 28.1 29.5 30.8 113 162 A F - 0 0 5 -8,-2.5 -8,-0.4 -32,-0.1 2,-0.2 -0.994 12.3-168.8-115.3 124.7 28.9 31.4 27.5 114 163 A T > - 0 0 44 -2,-0.4 3,-1.8 -10,-0.1 4,-0.4 -0.749 34.8-106.0-119.2 161.7 28.0 29.6 24.3 115 164 A L G > S+ 0 0 0 25,-0.4 3,-1.4 27,-0.4 4,-0.2 0.791 114.2 62.6 -55.4 -33.4 28.9 30.1 20.6 116 165 A D G > S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.778 91.4 66.7 -63.3 -29.2 25.4 31.4 19.7 117 166 A Q G < S+ 0 0 70 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.642 87.4 69.9 -68.4 -12.7 25.8 34.4 22.1 118 167 A L G < S+ 0 0 0 -3,-1.4 51,-3.5 -4,-0.4 2,-0.3 0.677 96.2 64.6 -75.8 -16.1 28.6 35.7 19.8 119 168 A F B < -H 168 0D 11 -3,-1.5 3,-0.3 49,-0.3 49,-0.3 -0.832 65.5-148.9-117.9 144.4 26.0 36.5 17.2 120 169 A S S S+ 0 0 81 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56.1 -63.4 -38.6 22.0 62.7 -5.3 359 436 A N H 3<5S+ 0 0 125 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.737 104.6 52.9 -65.2 -21.3 19.7 64.6 -2.8 360 437 A Q T <<5S- 0 0 83 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.354 126.0-103.1 -90.1 2.3 19.9 61.7 -0.4 361 438 A G T < 5 + 0 0 48 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.618 67.1 153.1 90.1 14.6 23.7 61.8 -0.6 362 439 A Y < - 0 0 28 -5,-2.4 2,-0.4 -170,-0.1 -1,-0.3 -0.543 35.5-145.5 -75.6 146.8 24.4 58.8 -2.9 363 440 A T E -k 192 0F 84 -172,-2.8 -170,-2.1 -2,-0.2 2,-0.4 -0.935 17.5-134.2 -99.8 133.0 27.5 58.5 -5.1 364 441 A F E +k 193 0F 18 -2,-0.4 2,-0.3 -172,-0.2 -170,-0.2 -0.725 30.8 179.2 -86.9 136.3 26.9 56.8 -8.4 365 442 A V - 0 0 14 -172,-2.5 -170,-0.4 -2,-0.4 2,-0.2 -0.908 28.0-115.6-131.6 158.0 29.5 54.2 -9.3 366 443 A T > - 0 0 6 -2,-0.3 4,-2.4 -172,-0.1 5,-0.2 -0.496 39.3-104.3 -80.5 168.2 30.2 51.8 -12.1 367 444 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.927 122.1 49.3 -61.7 -45.4 30.1 48.0 -11.4 368 445 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 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