==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-OCT-11 4A4A . COMPND 2 MOLECULE: ALPHA-N-ACETYLGLUCOSAMINIDASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR E.FICKO-BLEAN,C.P.STUART,M.D.SUITS,M.CID,M.TESSIER,R.J.WOODS . 886 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 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 . 54 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 7 1 0 1 0 3 1 2 1 3 1 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 4 1 3 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 PARALLEL BRIDGES PER LADDER . 4 4 0 2 2 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 0 0 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 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 26 A G 0 0 77 0, 0.0 127,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 174.1 9.1 -50.5 -8.6 2 27 A V - 0 0 103 125,-0.1 127,-2.2 1,-0.1 51,-0.1 0.516 360.0-138.6-100.9 151.4 7.4 -51.6 -10.4 3 28 A E B -A 128 0A 78 125,-0.2 2,-1.1 1,-0.1 125,-0.3 -0.352 18.9-127.3 -62.1 136.7 6.7 -49.0 -13.1 4 29 A I + 0 0 15 123,-3.1 123,-0.4 1,-0.2 -1,-0.1 -0.798 44.9 158.8 -92.7 99.7 3.0 -48.9 -14.1 5 30 A T + 0 0 117 -2,-1.1 2,-0.3 121,-0.1 -1,-0.2 0.341 48.1 57.3-110.8 1.0 3.6 -49.2 -17.9 6 31 A E S S+ 0 0 71 40,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.990 99.8 15.5-138.6 144.4 0.2 -50.5 -19.1 7 32 A G S S+ 0 0 57 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.488 79.8 141.5 79.4 7.1 -3.4 -49.3 -19.0 8 33 A V + 0 0 36 38,-0.2 2,-0.3 39,-0.1 -1,-0.2 -0.663 21.8 171.7 -86.1 130.6 -2.6 -45.7 -17.9 9 34 A T E -B 45 0A 87 36,-2.2 36,-2.8 -2,-0.3 2,-0.3 -0.859 12.6-153.5-133.8 172.6 -4.7 -42.9 -19.3 10 35 A V E -B 44 0A 24 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.988 7.4-166.1-150.6 147.2 -5.0 -39.1 -18.7 11 36 A T E +B 43 0A 88 32,-2.2 32,-2.3 -2,-0.3 2,-0.3 -0.953 6.6 179.7-129.8 158.4 -7.4 -36.2 -18.9 12 37 A A E -B 42 0A 31 -2,-0.3 30,-0.1 30,-0.2 3,-0.1 -0.930 30.3-133.2-146.3 167.2 -7.0 -32.4 -18.7 13 38 A K S S+ 0 0 44 28,-0.6 2,-0.2 1,-0.3 26,-0.1 0.222 86.7 6.1-112.0 9.5 -9.4 -29.5 -18.9 14 39 A G + 0 0 11 27,-0.2 2,-0.3 23,-0.1 -1,-0.3 -0.849 58.4 178.2-176.4 157.4 -7.3 -27.4 -21.3 15 40 A N - 0 0 60 -2,-0.2 20,-0.2 20,-0.2 5,-0.1 -0.975 34.0-106.7-159.8 151.9 -4.2 -27.5 -23.4 16 41 A T > - 0 0 14 18,-1.8 3,-2.4 3,-0.4 18,-0.2 -0.438 67.2 -68.4 -77.1 158.9 -2.2 -25.3 -25.8 17 42 A E T 3 S+ 0 0 193 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.191 120.5 3.3 -60.6 128.9 -2.5 -26.4 -29.4 18 43 A G T 3 S+ 0 0 54 -3,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.264 107.0 99.1 88.9 -14.4 -0.8 -29.7 -30.1 19 44 A N < + 0 0 29 -3,-2.4 15,-1.9 15,-0.1 -3,-0.4 -0.494 57.0 172.6-109.1 62.2 0.2 -30.1 -26.4 20 45 A T > - 0 0 46 -2,-0.7 3,-1.7 13,-0.2 4,-0.2 -0.196 46.0-106.8 -78.8 160.5 -2.5 -32.5 -25.3 21 46 A A G > S+ 0 0 12 1,-0.3 3,-2.6 2,-0.2 4,-0.2 0.845 114.9 63.3 -52.7 -44.6 -2.9 -34.3 -22.0 22 47 A D G > S+ 0 0 86 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.751 88.5 72.2 -59.5 -22.8 -1.9 -37.7 -23.4 23 48 A L G < S+ 0 0 32 -3,-1.7 3,-0.4 1,-0.3 -1,-0.3 0.596 85.1 66.5 -69.2 -8.6 1.5 -36.3 -24.2 24 49 A A G < S+ 0 0 0 -3,-2.6 101,-1.5 8,-0.2 -1,-0.3 0.587 112.1 32.5 -79.7 -15.1 2.3 -36.3 -20.4 25 50 A I S < S+ 0 0 45 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.083 84.0 105.7-130.3 23.0 2.2 -40.1 -20.5 26 51 A D S S- 0 0 64 -3,-0.4 -3,-0.1 97,-0.3 3,-0.1 0.299 88.1-116.3 -89.3 9.1 3.5 -41.0 -24.0 27 52 A G S S+ 0 0 67 1,-0.2 2,-0.5 98,-0.1 97,-0.1 0.591 81.6 115.3 66.6 13.2 7.0 -42.2 -22.7 28 53 A D > - 0 0 69 95,-0.3 3,-1.3 -5,-0.2 -2,-0.2 -0.949 53.4-160.6-122.3 120.1 8.6 -39.4 -24.7 29 54 A L T 3 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.3 95,-0.1 0.613 89.4 63.1 -74.4 -10.3 10.5 -36.5 -23.1 30 55 A S T 3 S+ 0 0 91 93,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.492 96.1 65.9 -93.7 -2.3 10.3 -34.3 -26.1 31 56 A T < + 0 0 32 -3,-1.3 2,-0.3 92,-0.2 -5,-0.1 -0.916 65.8 176.0-116.9 148.8 6.4 -34.1 -26.0 32 57 A Y - 0 0 53 -2,-0.4 2,-0.3 -7,-0.1 91,-0.3 -0.990 34.0-120.9-150.0 150.9 4.5 -32.4 -23.2 33 58 A W E -G 122 0B 0 89,-2.6 89,-1.9 -2,-0.3 2,-0.4 -0.738 36.5-170.7 -80.5 143.0 1.0 -31.5 -22.0 34 59 A E E -G 121 0B 12 -15,-1.9 -18,-1.8 -2,-0.3 87,-0.2 -0.996 20.4-116.1-140.1 140.9 0.9 -27.7 -21.5 35 60 A S - 0 0 2 85,-2.5 -20,-0.2 -2,-0.4 5,-0.1 -0.353 22.2-177.7 -76.6 150.5 -1.9 -25.7 -19.9 36 61 A S + 0 0 58 3,-0.3 2,-0.2 -20,-0.1 -1,-0.1 0.490 69.6 16.4-117.9 -14.9 -4.0 -23.1 -21.8 37 62 A N S S- 0 0 60 2,-0.4 -23,-0.1 -23,-0.1 -21,-0.1 -0.579 101.1 -67.0-140.2-160.2 -6.1 -21.8 -19.0 38 63 A D S S+ 0 0 66 -2,-0.2 2,-1.3 1,-0.1 313,-0.1 0.568 103.3 92.1 -80.7 -3.9 -6.5 -21.7 -15.2 39 64 A Y + 0 0 30 1,-0.1 -2,-0.4 -26,-0.1 -3,-0.3 -0.745 53.0 169.4 -85.0 95.8 -7.1 -25.5 -14.9 40 65 A K + 0 0 30 -2,-1.3 71,-2.6 -5,-0.1 2,-0.3 -0.032 42.3 85.6-104.4 32.5 -3.4 -26.2 -14.4 41 66 A W E - C 0 110A 23 69,-0.3 -28,-0.6 71,-0.1 2,-0.3 -0.931 55.8-153.3-130.6 155.8 -3.8 -29.9 -13.5 42 67 A I E -BC 12 109A 0 67,-1.8 67,-2.5 -2,-0.3 2,-0.5 -0.888 12.0-141.4-121.7 160.6 -4.1 -33.3 -15.1 43 68 A E E -BC 11 108A 31 -32,-2.3 -32,-2.2 -2,-0.3 2,-0.4 -0.984 14.3-162.5-126.2 118.9 -5.8 -36.5 -13.8 44 69 A V E -BC 10 107A 1 63,-2.7 63,-2.6 -2,-0.5 2,-0.5 -0.868 5.0-154.8-105.7 129.0 -4.1 -39.8 -14.5 45 70 A D E -BC 9 106A 36 -36,-2.8 -36,-2.2 -2,-0.4 61,-0.2 -0.908 3.4-156.6-105.1 132.0 -6.1 -43.1 -14.2 46 71 A L E - 0 0 0 59,-3.1 -40,-0.2 -2,-0.5 -38,-0.2 0.400 36.2-115.4 -91.3 2.1 -3.8 -46.1 -13.5 47 72 A G E S+ 0 0 47 58,-0.3 2,-0.2 -38,-0.1 -39,-0.1 0.813 90.5 9.1 60.1 36.5 -6.1 -48.8 -14.8 48 73 A G E S- 0 0 10 57,-0.4 2,-0.5 2,-0.1 -2,-0.3 -0.754 100.0 -68.3 150.5 171.7 -6.5 -50.3 -11.3 49 74 A I E - 0 0 3 85,-2.6 83,-2.5 -2,-0.2 84,-0.5 -0.795 51.0-176.0 -92.6 125.5 -5.7 -49.5 -7.8 50 75 A Y E -DC 131 104A 30 54,-2.7 54,-1.9 -2,-0.5 2,-0.9 -0.930 33.2-124.1-117.0 143.7 -2.0 -49.6 -6.9 51 76 A E E -DC 130 103A 84 79,-2.8 79,-2.0 -2,-0.4 52,-0.3 -0.793 44.2-139.9 -78.0 106.9 -0.1 -49.2 -3.7 52 77 A L E +DC 129 102A 0 50,-3.4 50,-0.9 -2,-0.9 49,-0.7 -0.491 36.5 166.3 -80.4 139.6 2.1 -46.3 -4.8 53 78 A S E + 0 0 21 75,-2.9 46,-3.1 1,-0.3 2,-0.3 0.671 66.2 14.0-114.5 -30.9 5.8 -46.1 -3.9 54 79 A K E -DC 128 98A 75 74,-1.7 74,-2.7 44,-0.3 2,-0.4 -0.999 47.8-166.3-150.8 147.4 7.2 -43.5 -6.3 55 80 A I E -DC 127 97A 0 42,-2.3 42,-2.9 -2,-0.3 2,-0.4 -0.985 13.7-163.3-137.6 128.4 6.1 -40.7 -8.7 56 81 A E E -DC 126 96A 32 70,-2.8 70,-2.3 -2,-0.4 2,-0.4 -0.935 6.0-164.6-117.4 131.0 8.6 -39.2 -11.1 57 82 A I E -DC 125 95A 1 38,-2.7 38,-2.9 -2,-0.4 2,-0.4 -0.955 7.1-173.5-125.0 130.4 8.0 -35.9 -12.9 58 83 A F E -D 124 0A 24 66,-2.7 65,-2.3 -2,-0.4 66,-1.4 -0.976 7.2-160.2-119.4 139.2 9.7 -34.3 -15.9 59 84 A N - 0 0 16 -2,-0.4 63,-0.1 32,-0.3 35,-0.1 -0.566 31.5-110.0-105.4 176.9 9.0 -30.9 -17.3 60 85 A K S S+ 0 0 80 -2,-0.2 2,-0.2 63,-0.0 62,-0.0 0.614 92.4 5.8 -86.8 -10.6 9.8 -29.5 -20.8 61 86 A D S S- 0 0 46 2,-0.1 -2,-0.3 30,-0.1 62,-0.1 -0.705 87.6 -81.5-150.2-162.1 12.7 -27.2 -19.7 62 87 A E S S+ 0 0 134 -2,-0.2 30,-0.0 27,-0.1 29,-0.0 -0.012 75.6 124.8-110.2 27.3 14.9 -26.1 -16.8 63 88 A A S S- 0 0 10 26,-0.2 27,-2.8 1,-0.1 2,-0.6 -0.193 71.3 -96.9 -69.1 172.0 12.5 -23.6 -15.1 64 89 A V - 0 0 20 25,-0.3 51,-2.2 2,-0.0 2,-0.3 -0.879 45.6-171.1 -94.9 119.3 11.5 -23.9 -11.4 65 90 A Y E -E 114 0A 0 -2,-0.6 2,-0.4 23,-0.5 49,-0.2 -0.818 11.2-166.4-108.5 146.0 8.1 -25.7 -11.1 66 91 A K E +E 113 0A 26 47,-1.7 47,-1.6 -2,-0.3 46,-1.4 -0.988 20.4 159.4-127.3 142.4 6.0 -26.2 -8.0 67 92 A Y E -EF 111 84A 1 17,-1.6 17,-2.5 -2,-0.4 2,-0.4 -0.989 31.8-134.6-157.5 161.2 3.1 -28.6 -7.8 68 93 A N E -EF 110 83A 9 42,-2.2 42,-2.9 -2,-0.3 2,-0.4 -0.965 17.7-151.0-124.7 139.8 0.9 -30.6 -5.6 69 94 A I E -EF 109 82A 0 13,-3.3 12,-3.0 -2,-0.4 13,-1.5 -0.936 13.1-175.9-119.2 132.9 0.0 -34.3 -6.1 70 95 A Y E -EF 108 80A 1 38,-2.7 38,-2.4 -2,-0.4 2,-0.3 -0.866 5.7-160.8-127.5 156.2 -3.2 -36.0 -5.0 71 96 A A E -EF 107 79A 7 8,-2.6 8,-2.7 -2,-0.3 2,-0.4 -0.978 1.8-162.2-140.2 144.6 -4.5 -39.6 -5.0 72 97 A S E +E 106 0A 1 34,-2.4 33,-3.2 -2,-0.3 34,-1.7 -0.998 16.1 174.8-129.6 131.3 -7.9 -41.3 -4.8 73 98 A E S S+ 0 0 91 -2,-0.4 31,-0.1 4,-0.4 -1,-0.1 0.476 89.6 43.9-102.3 -10.1 -8.6 -44.9 -4.0 74 99 A D S S- 0 0 51 3,-0.5 4,-0.1 62,-0.1 -1,-0.1 0.446 104.1-120.8-112.1 -1.8 -12.4 -44.4 -4.0 75 100 A G S S+ 0 0 22 2,-0.3 3,-0.1 31,-0.1 64,-0.1 0.321 102.4 62.9 80.8 -9.6 -12.9 -42.2 -7.1 76 101 A E S S+ 0 0 78 1,-0.2 2,-0.5 63,-0.0 280,-0.1 0.785 91.0 58.6-110.2 -51.4 -14.4 -39.4 -5.0 77 102 A N - 0 0 59 690,-0.1 2,-0.6 693,-0.0 -3,-0.5 -0.802 57.3-169.3 -98.1 121.4 -11.8 -38.2 -2.5 78 103 A F - 0 0 1 -2,-0.5 692,-2.5 -6,-0.1 2,-0.3 -0.937 13.2-172.8-108.2 108.5 -8.4 -36.9 -3.7 79 104 A N E -F 71 0A 70 -8,-2.7 -8,-2.6 -2,-0.6 2,-0.3 -0.774 29.8-102.1-107.9 152.7 -6.0 -36.5 -0.9 80 105 A K E +F 70 0A 29 -2,-0.3 -10,-0.3 -10,-0.2 3,-0.1 -0.532 42.6 162.9 -81.4 132.3 -2.6 -34.9 -1.0 81 106 A I E - 0 0 38 -12,-3.0 2,-0.3 1,-0.4 19,-0.3 0.555 62.0 -0.3-126.8 -17.8 0.3 -37.4 -1.1 82 107 A A E +F 69 0A 12 -13,-1.5 -13,-3.3 17,-0.1 -1,-0.4 -0.970 56.5 180.0-164.7 162.3 3.3 -35.4 -2.3 83 108 A Y E -F 68 0A 97 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.976 21.9-138.3-160.8 158.1 4.4 -31.9 -3.4 84 109 A K E +F 67 0A 7 -17,-2.5 -17,-1.6 -2,-0.3 -2,-0.0 -0.978 34.5 148.6-118.8 118.6 7.3 -29.8 -4.6 85 110 A N + 0 0 57 -2,-0.5 -1,-0.1 -19,-0.2 -19,-0.1 0.302 40.3 108.9-125.0 3.9 7.6 -26.4 -3.2 86 111 A N S S- 0 0 69 1,-0.1 -2,-0.0 -21,-0.1 -21,-0.0 -0.312 75.8-118.4 -74.0 167.8 11.4 -26.0 -3.2 87 112 A D + 0 0 114 -23,-0.1 2,-0.2 -21,-0.0 -1,-0.1 0.138 64.0 135.4 -94.0 20.1 13.1 -23.6 -5.6 88 113 A N - 0 0 101 -23,-0.1 -23,-0.5 1,-0.1 2,-0.0 -0.485 56.4-120.7 -70.7 135.3 15.2 -26.3 -7.5 89 114 A V - 0 0 78 -2,-0.2 -25,-0.3 -25,-0.2 2,-0.2 -0.369 27.7-112.6 -66.6 149.3 15.2 -26.0 -11.2 90 115 A S + 0 0 3 -27,-2.8 2,-0.3 -2,-0.0 -1,-0.1 -0.526 44.4 175.7 -72.8 155.3 13.9 -29.0 -13.2 91 116 A D > - 0 0 66 -2,-0.2 3,-1.4 -29,-0.0 -32,-0.3 -0.858 47.5 -74.3-148.3-170.3 16.5 -30.8 -15.2 92 117 A S T 3 S+ 0 0 97 1,-0.3 -2,-0.0 -2,-0.3 -30,-0.0 0.596 120.5 62.2 -70.8 -11.1 17.1 -33.9 -17.5 93 118 A N T 3 S- 0 0 119 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.611 98.0-140.4 -89.9 -12.6 17.0 -36.3 -14.5 94 119 A G < - 0 0 14 -3,-1.4 2,-0.5 -38,-0.1 -36,-0.2 -0.041 23.3 -73.9 79.0 167.7 13.4 -35.5 -13.5 95 120 A N E -C 57 0A 24 -38,-2.9 -38,-2.7 2,-0.0 2,-0.5 -0.941 41.8-157.1-106.4 125.3 11.9 -35.1 -10.0 96 121 A M E -C 56 0A 95 -2,-0.5 2,-0.5 -40,-0.2 -40,-0.2 -0.914 7.2-166.8-108.4 125.2 11.5 -38.3 -8.0 97 122 A H E -C 55 0A 27 -42,-2.9 -42,-2.3 -2,-0.5 2,-0.4 -0.942 15.1-138.3-115.0 123.6 8.9 -38.3 -5.1 98 123 A T E -C 54 0A 109 -2,-0.5 2,-0.4 -44,-0.2 -44,-0.3 -0.637 17.8-161.6 -76.6 129.8 8.7 -41.0 -2.5 99 124 A I E - 0 0 3 -46,-3.1 2,-2.0 -2,-0.4 -17,-0.1 -0.939 23.3-125.1-115.1 138.1 5.1 -42.0 -1.7 100 125 A D E - 0 0 91 -2,-0.4 -47,-0.2 -19,-0.3 -48,-0.1 -0.353 63.3 -78.6 -83.9 61.5 4.4 -43.9 1.5 101 126 A N E S+ 0 0 106 -2,-2.0 2,-0.4 -49,-0.7 -48,-0.2 0.901 71.7 176.7 47.4 54.4 2.7 -46.9 -0.1 102 127 A V E -C 52 0A 51 -50,-0.9 -50,-3.4 -51,-0.1 2,-0.2 -0.768 31.2-121.2 -90.4 132.0 -0.6 -45.1 -0.6 103 128 A R E +C 51 0A 66 -2,-0.4 2,-0.3 -52,-0.3 -52,-0.2 -0.530 44.1 164.1 -67.7 133.4 -3.4 -47.0 -2.4 104 129 A A E +C 50 0A 0 -54,-1.9 -54,-2.7 -2,-0.2 -31,-0.3 -0.957 34.7 175.4-158.7 132.7 -4.5 -45.1 -5.5 105 130 A G E S+ 0 0 0 -33,-3.2 -59,-3.1 1,-0.3 -57,-0.4 0.614 85.9 24.1-103.4 -26.7 -6.6 -45.7 -8.7 106 131 A K E -CE 45 72A 53 -34,-1.7 -34,-2.4 -61,-0.2 2,-0.3 -0.972 67.3-164.0-137.0 147.5 -6.4 -42.1 -9.9 107 132 A I E -CE 44 71A 0 -63,-2.6 -63,-2.7 -2,-0.3 2,-0.4 -0.977 6.3-152.6-130.2 151.0 -3.9 -39.3 -9.3 108 133 A R E -CE 43 70A 37 -38,-2.4 -38,-2.7 -2,-0.3 2,-0.5 -0.982 4.6-165.2-118.0 135.5 -4.1 -35.5 -9.9 109 134 A I E -CE 42 69A 0 -67,-2.5 -67,-1.8 -2,-0.4 2,-0.6 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66.6 -53.2 -40.3 -7.8 13.1 13.1 673 698 A E H 3X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.780 88.9 67.7 -54.2 -26.9 -4.7 12.0 15.2 674 699 A K H < S+ 0 0 12 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.922 107.9 52.7 -60.7 -44.0 -5.4 6.2 24.3 681 706 A K H 3< S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 118.0 37.9 -59.2 -33.6 -6.0 8.5 27.3 682 707 A N H 3X S+ 0 0 9 -4,-1.6 4,-1.7 -5,-0.2 3,-0.3 0.369 86.4 106.3 -99.5 4.9 -9.3 6.6 27.9 683 708 A Y H < S+ 0 0 0 -4,-1.7 3,-2.4 -3,-0.5 6,-0.2 0.502 84.8 100.9-105.4 -2.6 -12.9 1.5 28.2 687 712 A K T 3< S+ 0 0 96 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.627 71.5 69.3 -61.0 -18.1 -10.9 -1.7 27.5 688 713 A D T 3 S+ 0 0 115 -3,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.492 84.0 82.2 -81.0 -2.8 -13.7 -3.8 28.9 689 714 A S <> - 0 0 10 -3,-2.4 4,-2.2 1,-0.1 3,-0.2 -0.902 64.5-162.9 -97.6 110.7 -15.9 -2.9 25.8 690 715 A D H > S+ 0 0 79 -2,-0.7 4,-2.5 -444,-0.2 -1,-0.1 0.846 93.5 55.9 -60.6 -32.3 -15.0 -5.1 22.9 691 716 A A H > S+ 0 0 0 -445,-0.5 4,-2.4 -80,-0.3 -1,-0.2 0.851 104.6 52.4 -70.1 -34.0 -16.7 -2.6 20.6 692 717 A F H > S+ 0 0 0 -6,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.905 110.3 48.3 -61.2 -45.8 -14.5 0.2 22.0 693 718 A L H X S+ 0 0 33 -4,-2.2 4,-2.8 -7,-0.2 5,-0.2 0.923 109.8 52.9 -60.5 -42.5 -11.5 -2.0 21.2 694 719 A Y H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.940 112.9 43.0 -55.4 -52.8 -12.9 -2.6 17.7 695 720 A D H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.905 111.4 54.1 -63.7 -41.7 -13.2 1.1 17.1 696 721 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.930 108.5 49.7 -61.7 -43.3 -9.8 2.0 18.6 697 722 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.931 110.8 51.6 -61.0 -42.5 -8.2 -0.5 16.2 698 723 A D H X S+ 0 0 5 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.921 114.3 40.5 -59.5 -44.8 -10.0 1.1 13.3 699 724 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.902 115.6 51.3 -77.7 -31.4 -9.0 4.6 14.1 700 725 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.878 110.0 47.7 -70.0 -40.4 -5.4 3.6 15.0 701 726 A K H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.842 110.9 54.4 -70.7 -24.7 -4.9 1.6 11.8 702 727 A Q H X S+ 0 0 4 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.892 105.8 52.0 -71.0 -40.8 -6.3 4.7 9.9 703 728 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.927 112.0 45.7 -59.3 -47.6 -3.8 6.9 11.6 704 729 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.886 111.3 50.8 -69.4 -40.4 -0.9 4.7 10.5 705 730 A A H X S+ 0 0 4 -4,-2.4 4,-1.5 2,-0.2 -60,-0.4 0.932 112.8 49.9 -55.5 -46.6 -2.2 4.3 6.9 706 731 A N H X S+ 0 0 4 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.890 114.0 41.9 -59.7 -44.6 -2.4 8.2 6.9 707 732 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.888 107.0 62.2 -75.3 -33.6 1.1 8.7 8.2 708 733 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.874 100.7 55.5 -54.4 -39.2 2.5 5.9 5.9 709 734 A Q H X S+ 0 0 27 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.934 107.9 47.5 -62.3 -44.3 1.4 8.0 2.9 710 735 A E H X S+ 0 0 53 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.935 112.8 48.4 -63.8 -43.1 3.4 11.0 4.2 711 736 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.884 107.9 56.3 -63.5 -38.0 6.5 8.8 4.8 712 737 A Y H X S+ 0 0 13 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.920 105.8 50.0 -55.9 -49.3 6.1 7.3 1.3 713 738 A E H X S+ 0 0 86 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.943 112.1 47.8 -56.4 -45.6 6.2 10.8 -0.3 714 739 A V H X S+ 0 0 28 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.913 111.8 50.9 -62.4 -40.0 9.4 11.7 1.7 715 740 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.905 110.0 48.0 -65.7 -44.5 11.0 8.3 0.7 716 741 A C H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.861 111.0 52.8 -63.7 -36.4 10.2 8.9 -3.0 717 742 A N H X S+ 0 0 85 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.943 106.9 51.8 -63.8 -47.5 11.7 12.4 -2.7 718 743 A A H <>S+ 0 0 1 -4,-2.5 5,-2.6 1,-0.2 4,-0.2 0.902 111.9 46.0 -55.6 -45.6 14.9 11.1 -1.2 719 744 A Y H ><5S+ 0 0 44 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.925 111.7 51.4 -61.7 -44.6 15.3 8.6 -4.1 720 745 A N H 3<5S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.766 109.8 50.3 -68.4 -25.4 14.6 11.2 -6.7 721 746 A N T 3<5S- 0 0 128 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.390 114.0-117.9 -89.0 2.7 17.2 13.5 -5.2 722 747 A G T < 5 + 0 0 54 -3,-1.6 2,-1.1 -4,-0.2 -3,-0.2 0.727 62.5 149.9 66.9 23.7 19.8 10.7 -5.2 723 748 A N >< + 0 0 73 -5,-2.6 4,-2.5 -6,-0.2 -1,-0.2 -0.706 19.2 176.6 -94.4 93.7 20.1 10.8 -1.4 724 749 A G H > S+ 0 0 16 -2,-1.1 4,-2.5 104,-0.2 -1,-0.2 0.870 77.3 48.8 -64.2 -43.1 21.0 7.2 -0.4 725 750 A E H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 113.2 46.2 -66.6 -45.9 21.4 7.9 3.4 726 751 A K H > S+ 0 0 95 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.913 112.5 51.6 -63.8 -43.1 18.1 9.7 3.7 727 752 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.5 0.933 109.5 49.6 -60.7 -43.5 16.3 7.0 1.6 728 753 A K H X S+ 0 0 122 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.942 115.6 44.0 -58.0 -45.5 17.7 4.3 3.9 729 754 A F H X S+ 0 0 108 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.935 118.9 40.4 -67.5 -47.6 16.6 6.2 7.0 730 755 A V H X S+ 0 0 2 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.892 116.6 47.6 -72.0 -42.8 13.1 7.1 5.8 731 756 A S H X S+ 0 0 2 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.867 109.8 56.8 -68.8 -33.8 12.3 3.8 4.0 732 757 A G H X S+ 0 0 10 -4,-1.8 4,-2.1 -5,-0.5 -2,-0.2 0.919 108.2 45.1 -59.3 -44.7 13.5 2.1 7.2 733 758 A K H X S+ 0 0 26 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.872 110.1 56.4 -65.8 -39.6 11.0 4.1 9.3 734 759 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.923 109.4 45.1 -58.8 -43.8 8.3 3.3 6.6 735 760 A L H X S+ 0 0 19 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.917 112.7 50.5 -68.6 -42.6 8.9 -0.5 7.1 736 761 A E H X S+ 0 0 84 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.861 106.3 57.1 -58.9 -38.7 8.9 -0.2 10.9 737 762 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.934 106.1 49.2 -59.1 -43.3 5.7 1.7 10.5 738 763 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.905 107.3 55.2 -64.7 -36.8 4.2 -1.3 8.7 739 764 A K H X S+ 0 0 107 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.895 108.3 48.0 -60.6 -41.7 5.5 -3.6 11.5 740 765 A L H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.896 108.8 53.9 -62.4 -44.8 3.6 -1.5 14.1 741 766 A Q H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.879 104.2 56.0 -56.3 -40.6 0.5 -1.7 11.9 742 767 A E H X S+ 0 0 20 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.878 105.7 51.0 -60.6 -39.3 0.8 -5.5 11.9 743 768 A R H < S+ 0 0 101 -4,-1.4 4,-0.5 2,-0.2 -2,-0.2 0.927 110.9 49.3 -64.0 -40.8 0.8 -5.4 15.8 744 769 A V H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.955 112.1 47.3 -60.5 -49.1 -2.4 -3.2 15.6 745 770 A L H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 61,-0.4 0.838 100.1 67.7 -64.0 -32.3 -4.1 -5.6 13.1 746 771 A S T 3< S+ 0 0 18 -4,-1.9 116,-2.3 1,-0.2 -1,-0.3 0.662 86.7 72.4 -58.3 -20.5 -3.1 -8.7 15.2 747 772 A T T < S+ 0 0 18 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.591 88.2 65.8 -78.4 -11.4 -5.5 -7.5 18.0 748 773 A R X - 0 0 5 -3,-1.4 3,-1.5 -4,-0.2 4,-0.3 -0.946 63.6-150.3-120.9 127.4 -8.8 -8.3 16.2 749 774 A P G > S+ 0 0 62 0, 0.0 3,-1.4 0, 0.0 6,-0.2 0.852 101.8 63.1 -51.7 -35.8 -10.3 -11.7 15.2 750 775 A E G 3 S+ 0 0 64 1,-0.3 6,-0.1 -3,-0.1 -3,-0.0 0.757 102.3 50.8 -64.4 -24.9 -12.0 -9.8 12.3 751 776 A F G < S+ 0 0 4 -3,-1.5 55,-2.5 -6,-0.3 2,-0.7 0.352 81.4 111.3 -94.8 2.9 -8.5 -8.9 10.8 752 777 A L B X> -y 806 0J 6 -3,-1.4 3,-1.3 -4,-0.3 4,-1.1 -0.685 52.7-159.3 -88.8 117.1 -6.9 -12.4 10.8 753 778 A I H 3> S+ 0 0 1 53,-1.9 4,-2.5 -2,-0.7 5,-0.3 0.841 91.5 69.3 -55.1 -30.6 -6.3 -13.8 7.3 754 779 A G H 3> S+ 0 0 4 104,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.788 96.3 50.6 -62.3 -27.5 -6.2 -17.2 9.1 755 780 A N H <> S+ 0 0 43 -3,-1.3 4,-2.5 103,-0.2 -1,-0.2 0.888 109.5 48.9 -73.9 -45.7 -9.9 -17.1 9.9 756 781 A W H X S+ 0 0 22 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.958 117.3 43.1 -56.4 -49.8 -10.9 -16.3 6.3 757 782 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.941 113.7 49.6 -66.2 -47.6 -8.6 -19.2 5.0 758 783 A E H X S+ 0 0 76 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.914 108.7 52.9 -62.7 -38.7 -9.7 -21.6 7.7 759 784 A D H >X S+ 0 0 54 -4,-2.5 4,-0.7 1,-0.2 3,-0.5 0.925 110.6 48.5 -57.8 -46.9 -13.4 -20.9 7.0 760 785 A A H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 4,-0.2 0.909 112.0 48.2 -56.0 -46.5 -12.8 -21.7 3.3 761 786 A R H 3< S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.663 121.6 35.0 -73.1 -15.6 -10.9 -24.9 4.1 762 787 A T H << S+ 0 0 84 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.266 80.7 108.0-119.4 8.6 -13.6 -26.1 6.5 763 788 A M S << S+ 0 0 26 -3,-0.7 2,-0.3 -4,-0.7 -2,-0.1 0.740 76.1 52.8 -67.6 -22.2 -16.9 -24.9 5.0 764 789 A L S > S- 0 0 15 -4,-0.2 3,-0.5 -3,-0.1 2,-0.4 -0.758 91.2-104.3-107.9 161.0 -18.1 -28.3 3.8 765 790 A K T 3 S- 0 0 65 -2,-0.3 -2,-0.1 1,-0.2 -404,-0.1 -0.675 94.1 -11.6 -78.6 128.4 -18.4 -31.6 5.8 766 791 A D T 3 S+ 0 0 93 -2,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.843 84.1 173.1 61.2 38.6 -15.8 -34.2 5.1 767 792 A S < - 0 0 16 -3,-0.5 -1,-0.2 -6,-0.1 -690,-0.1 -0.503 29.9-114.8 -84.4 153.8 -14.1 -32.6 2.1 768 793 A D > - 0 0 10 -2,-0.2 4,-2.0 -692,-0.1 -689,-0.2 -0.232 29.5-100.7 -77.4 172.4 -11.0 -34.1 0.6 769 794 A D H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.862 121.7 59.5 -60.2 -36.5 -7.5 -32.3 0.5 770 795 A W H > S+ 0 0 15 -692,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.937 107.5 44.0 -54.2 -52.5 -8.1 -31.4 -3.1 771 796 A T H > S+ 0 0 8 -693,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 112.7 51.6 -64.3 -43.3 -11.2 -29.4 -2.3 772 797 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