==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-10 2XN0 . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS ACIDOPHILUS NCFM; . AUTHOR F.FREDSLUND,M.ABOU HACHEM,R.J.LARSEN,P.G.SORENSEN,L.LO LEGGI . 1458 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1009 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 339 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 144 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 4 2 2 0 2 0 2 1 1 0 2 2 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 6 2 7 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 PARALLEL BRIDGES PER LADDER . 11 4 9 9 6 7 4 6 2 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 . 4 0 2 2 2 0 0 2 3 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 4 A N 0 0 127 0, 0.0 131,-0.0 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 93.2 104.4 53.6 73.2 2 5 A L + 0 0 6 151,-0.1 13,-3.1 1,-0.1 2,-0.4 0.557 360.0 60.7 -92.6 -14.3 100.7 54.4 72.8 3 6 A I E +A 14 0A 3 11,-0.2 2,-0.3 130,-0.1 11,-0.2 -0.975 58.9 175.6-127.2 121.8 99.1 51.9 75.2 4 7 A K E -A 13 0A 82 9,-2.6 9,-2.6 -2,-0.4 2,-0.5 -0.932 17.1-154.1-126.1 147.0 99.7 51.8 79.0 5 8 A F E -A 12 0A 37 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.982 5.8-155.7-122.8 123.3 98.3 49.8 81.9 6 9 A D E >> -A 11 0A 63 5,-2.8 4,-1.5 -2,-0.5 5,-1.4 -0.828 6.0-169.2 -95.1 101.8 98.3 51.1 85.4 7 10 A D T 45S+ 0 0 106 -2,-0.8 -1,-0.1 1,-0.2 5,-0.0 0.455 79.0 65.8 -77.2 1.2 98.2 48.0 87.6 8 11 A Q T 45S+ 0 0 164 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.921 120.8 14.9 -83.7 -53.8 97.6 50.1 90.7 9 12 A N T 45S- 0 0 32 -3,-0.2 16,-0.2 2,-0.1 -2,-0.2 0.385 104.9-119.4-103.6 2.3 94.1 51.5 89.8 10 13 A K T <5 + 0 0 94 -4,-1.5 15,-2.2 1,-0.2 2,-0.4 0.904 60.0 151.4 66.5 45.2 93.6 48.9 87.0 11 14 A V E < -AB 6 24A 7 -5,-1.4 -5,-2.8 13,-0.2 2,-0.4 -0.920 36.0-152.0-118.7 132.0 93.3 51.5 84.2 12 15 A F E -AB 5 23A 0 11,-3.5 11,-1.8 -2,-0.4 2,-0.4 -0.836 12.4-169.4 -98.0 138.2 94.1 51.2 80.5 13 16 A H E -AB 4 22A 14 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.5 -0.958 9.1-175.0-134.0 112.7 95.1 54.3 78.6 14 17 A L E +AB 3 21A 0 7,-2.8 7,-2.5 -2,-0.4 2,-0.3 -0.932 29.1 155.3 -97.9 125.0 95.5 54.5 74.9 15 18 A H E + B 0 20A 33 -13,-3.1 5,-0.2 -2,-0.5 2,-0.2 -0.997 25.2 163.3-154.8 152.8 96.8 57.9 73.8 16 19 A N - 0 0 19 3,-2.0 140,-0.1 -2,-0.3 139,-0.1 -0.611 64.6 -66.4-136.0-156.8 98.7 60.0 71.3 17 20 A K S S+ 0 0 191 138,-0.5 22,-0.2 -2,-0.2 139,-0.1 0.765 129.8 34.5 -69.2 -24.3 98.9 63.8 70.7 18 21 A Q S S+ 0 0 67 1,-0.2 21,-1.4 139,-0.1 2,-0.3 0.842 117.7 25.8 -99.7 -39.7 95.3 64.1 69.7 19 22 A I E - C 0 38A 0 19,-0.3 -3,-2.0 138,-0.2 2,-0.4 -0.891 47.9-158.5-135.7 152.5 93.2 61.6 71.7 20 23 A S E -BC 15 37A 0 17,-2.9 17,-2.1 -2,-0.3 2,-0.4 -0.986 6.9-170.2-125.7 141.8 93.0 59.6 75.0 21 24 A Y E -BC 14 36A 0 -7,-2.5 -7,-2.8 -2,-0.4 2,-0.4 -0.973 10.6-173.4-131.5 117.0 90.9 56.5 75.5 22 25 A L E +BC 13 35A 4 13,-2.7 12,-2.0 -2,-0.4 13,-1.8 -0.939 9.8 166.0-115.0 132.4 90.6 55.3 79.1 23 26 A L E -BC 12 33A 0 -11,-1.8 -11,-3.5 -2,-0.4 2,-0.3 -0.965 13.8-161.4-136.3 156.8 89.0 52.1 80.3 24 27 A S E -BC 11 32A 9 8,-2.3 8,-3.6 -2,-0.3 2,-0.8 -0.899 25.8-114.9-137.8 164.8 89.2 50.3 83.6 25 28 A I E - C 0 31A 30 -15,-2.2 6,-0.2 -2,-0.3 2,-0.1 -0.896 44.7-175.9 -99.9 108.1 88.6 47.0 85.4 26 29 A E E >> - C 0 30A 12 4,-3.7 4,-1.7 -2,-0.8 3,-0.7 -0.349 38.6 -41.7 -99.3 179.7 85.8 47.6 87.9 27 30 A D G >4 S+ 0 0 65 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.007 127.8 17.9 -41.8 138.5 84.2 45.5 90.6 28 31 A G G 34 S- 0 0 43 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.811 132.1 -70.0 65.5 31.0 83.6 41.9 89.6 29 32 A G G <4 S+ 0 0 21 -3,-0.7 76,-2.2 1,-0.2 2,-0.5 0.869 84.7 166.7 54.5 38.0 86.0 42.2 86.8 30 33 A T E << -C 26 0A 3 -4,-1.7 -4,-3.7 -3,-0.6 2,-0.7 -0.760 37.0-129.9 -89.5 124.4 83.6 44.5 85.0 31 34 A L E -C 25 0A 8 -2,-0.5 45,-2.3 -6,-0.2 46,-0.5 -0.626 32.1-162.0 -78.8 114.2 85.2 46.3 82.0 32 35 A S E -CD 24 75A 2 -8,-3.6 -8,-2.3 -2,-0.7 2,-0.5 -0.739 16.6-136.1-107.6 139.9 84.3 50.0 82.5 33 36 A H E +C 23 0A 8 41,-1.2 -10,-0.2 -2,-0.3 3,-0.1 -0.809 29.2 163.8 -90.1 129.4 84.4 52.9 80.0 34 37 A L E - 0 0 24 -12,-2.0 2,-0.3 -2,-0.5 -11,-0.2 0.802 54.7 -15.6-106.8 -44.7 85.9 56.0 81.5 35 38 A Y E -C 22 0A 72 -13,-1.8 -13,-2.7 151,-0.1 2,-0.3 -0.977 36.6-177.1-168.7 140.1 86.7 58.4 78.6 36 39 A F E +C 21 0A 4 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.942 53.2 65.4-143.8 125.6 87.2 59.0 75.0 37 40 A G E S+C 20 0A 0 -17,-2.1 -17,-2.9 -2,-0.3 3,-0.1 -0.977 79.2 15.4 164.8-153.7 88.3 62.4 73.6 38 41 A G E S-C 19 0A 19 -2,-0.3 -19,-0.3 -19,-0.3 -20,-0.1 -0.173 84.3 -93.9 -52.2 139.8 91.1 64.9 73.7 39 42 A A - 0 0 39 -21,-1.4 2,-0.3 -22,-0.2 -19,-0.2 -0.158 38.1-170.2 -61.2 145.9 94.5 63.6 74.9 40 43 A V - 0 0 56 1,-0.1 -3,-0.0 -21,-0.1 -22,-0.0 -0.993 23.4-138.5-134.5 141.5 95.6 63.9 78.5 41 44 A K S S+ 0 0 184 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.941 82.3 12.7 -65.3 -47.4 99.0 63.1 79.8 42 45 A N - 0 0 137 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.778 57.9-144.9-128.2 170.4 97.8 61.3 83.0 43 46 A Y - 0 0 18 -2,-0.2 -32,-0.1 -32,-0.1 -30,-0.0 -0.999 10.8-179.8-133.7 137.7 94.8 59.8 84.8 44 47 A N - 0 0 132 -2,-0.4 -1,-0.0 -35,-0.0 -2,-0.0 -0.125 56.5 -92.1-134.4 39.3 94.2 59.9 88.5 45 48 A N S > S+ 0 0 64 1,-0.1 3,-1.4 2,-0.1 -2,-0.0 0.548 81.0 132.6 70.1 11.2 90.9 58.2 89.3 46 49 A Q T 3 S+ 0 0 135 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.470 70.5 54.7 -76.2 -0.3 88.8 61.3 89.1 47 50 A L T 3 + 0 0 80 2,-0.1 2,-0.4 -12,-0.0 -1,-0.3 0.054 69.4 139.2-116.9 23.1 86.3 59.4 86.9 48 51 A K < - 0 0 105 -3,-1.4 3,-0.1 1,-0.1 -14,-0.0 -0.570 66.3-104.1 -67.2 125.2 85.6 56.4 89.1 49 52 A Y - 0 0 26 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.228 37.8-108.5 -59.2 129.2 81.9 55.9 88.9 50 53 A P - 0 0 96 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.296 28.1-127.9 -59.9 138.6 80.0 57.1 91.9 51 54 A R + 0 0 75 -3,-0.1 2,-0.3 17,-0.1 17,-0.2 -0.769 42.6 152.6 -85.7 129.1 78.6 54.4 94.2 52 55 A L - 0 0 93 15,-1.6 2,-1.1 -2,-0.5 17,-0.0 -0.956 48.9-117.1-157.7 135.4 74.9 54.8 94.9 53 56 A D - 0 0 88 -2,-0.3 2,-0.6 3,-0.0 14,-0.2 -0.657 38.0-170.8 -76.5 102.8 72.1 52.3 95.8 54 57 A R > - 0 0 80 -2,-1.1 3,-2.0 12,-0.5 -2,-0.0 -0.869 28.7-106.3-102.6 121.8 69.8 52.7 92.8 55 58 A G T 3 S+ 0 0 20 -2,-0.6 875,-0.4 1,-0.3 3,-0.1 -0.113 98.2 5.3 -49.9 131.7 66.4 51.0 93.1 56 59 A F T 3 S+ 0 0 12 1155,-0.3 2,-0.9 1,-0.2 -1,-0.3 0.557 93.3 119.6 70.3 10.7 65.9 47.9 91.0 57 60 A S < - 0 0 3 -3,-2.0 -3,-0.3 9,-0.1 -1,-0.2 -0.817 57.4-153.5-103.2 88.2 69.5 48.0 89.8 58 61 A G - 0 0 0 -2,-0.9 13,-0.5 1,-0.1 12,-0.3 0.076 6.7-123.9 -64.5 176.4 70.6 44.6 91.1 59 62 A N - 0 0 7 1113,-2.5 10,-0.1 1,-0.2 -1,-0.1 -0.362 32.5 -59.8-121.3-174.6 74.1 43.6 92.0 60 63 A L > - 0 0 21 5,-0.4 3,-2.7 8,-0.3 -1,-0.2 -0.349 67.7 -84.9 -71.8 146.2 76.9 41.1 91.4 61 64 A P T 3 S+ 0 0 35 0, 0.0 1110,-0.2 0, 0.0 -1,-0.1 -0.275 115.7 4.5 -49.0 129.8 76.3 37.4 92.1 62 65 A E T 3 S+ 0 0 154 1108,-0.6 2,-0.2 1,-0.3 1109,-0.1 0.406 102.0 137.1 76.3 -0.7 76.9 36.7 95.8 63 66 A S < - 0 0 33 -3,-2.7 -1,-0.3 1,-0.1 -4,-0.1 -0.485 41.7-170.6 -82.6 147.6 77.5 40.4 96.4 64 67 A L + 0 0 132 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.1 0.535 62.3 99.5-104.0 -14.3 76.1 42.2 99.4 65 68 A D + 0 0 62 1,-0.2 3,-0.5 -5,-0.1 -5,-0.4 -0.638 45.5 179.3 -79.5 112.2 77.1 45.7 98.1 66 69 A R S S+ 0 0 47 -2,-0.7 -12,-0.5 1,-0.2 -1,-0.2 0.541 70.1 74.9 -89.8 -6.8 74.0 47.2 96.6 67 70 A T S S+ 0 0 47 -14,-0.2 -15,-1.6 -16,-0.1 2,-0.4 0.564 88.0 68.9 -84.7 -8.9 75.8 50.5 95.6 68 71 A F + 0 0 6 -3,-0.5 -8,-0.3 -17,-0.2 2,-0.3 -0.941 63.6 166.1-111.5 136.6 77.5 48.8 92.7 69 72 A S >> - 0 0 5 -2,-0.4 4,-2.5 -10,-0.1 3,-1.5 -0.962 43.1-147.5-155.6 127.7 75.6 47.6 89.6 70 73 A R T 34 S+ 0 0 7 -2,-0.3 -11,-0.1 -12,-0.3 -1,-0.1 0.595 104.1 66.1 -65.5 -8.6 76.2 46.4 86.1 71 74 A D T 34 S+ 0 0 2 -13,-0.5 -1,-0.3 13,-0.1 14,-0.1 0.670 113.9 25.8 -87.7 -18.3 72.9 48.0 85.3 72 75 A S T <4 S+ 0 0 5 -3,-1.5 -2,-0.2 -15,-0.1 -1,-0.1 0.680 96.8 102.4-113.7 -28.5 74.2 51.6 86.1 73 76 A L S < S- 0 0 3 -4,-2.5 2,-0.4 1,-0.1 -5,-0.0 -0.296 75.1-120.2 -57.5 131.4 78.0 51.3 85.4 74 77 A P - 0 0 5 0, 0.0 -41,-1.2 0, 0.0 2,-0.3 -0.642 45.7-170.0 -71.7 129.4 79.3 52.7 82.1 75 78 A K B -D 32 0A 2 -2,-0.4 -43,-0.3 -43,-0.3 110,-0.3 -0.825 42.5-135.4-130.7 159.6 80.9 49.7 80.3 76 79 A E S S- 0 0 0 -45,-2.3 107,-0.7 -2,-0.3 2,-0.3 0.483 94.6 -11.9 -84.3 -5.0 83.0 48.6 77.3 77 80 A Y - 0 0 9 -46,-0.5 2,-0.3 105,-0.1 -1,-0.2 -0.956 63.3-165.4 176.4 167.8 80.6 45.8 76.6 78 81 A S - 0 0 3 -2,-0.3 12,-1.5 -3,-0.1 11,-0.4 -0.983 3.3-156.0-166.7 160.3 77.6 43.9 78.1 79 82 A S B > -e 90 0B 1 -2,-0.3 3,-0.9 10,-0.2 5,-0.3 -0.970 33.5 -93.2-142.7 158.8 75.6 40.7 77.7 80 83 A A T 3 S+ 0 0 0 10,-1.6 21,-1.0 -2,-0.3 12,-0.2 -0.418 107.4 41.8 -58.9 145.6 72.1 39.3 78.5 81 84 A G T 3 S+ 0 0 16 3,-0.3 -1,-0.2 19,-0.2 19,-0.1 0.571 84.5 95.0 93.2 10.5 72.2 37.5 81.8 82 85 A E S < S- 0 0 6 -3,-0.9 -12,-0.2 2,-0.2 3,-0.1 0.108 104.5 -95.1-120.2 23.6 74.4 39.9 83.9 83 86 A M S S+ 0 0 5 1132,-0.3 2,-0.4 1,-0.3 -12,-0.1 0.884 85.6 131.8 64.6 37.1 71.7 42.0 85.6 84 87 A D - 0 0 10 -5,-0.3 -3,-0.3 1131,-0.1 -1,-0.3 -0.974 38.1-172.7-117.6 137.3 72.0 44.6 82.9 85 88 A F + 0 0 24 -2,-0.4 866,-0.2 -14,-0.1 867,-0.1 0.271 53.8 100.4-117.6 9.5 68.8 46.0 81.3 86 89 A H S S- 0 0 11 1,-0.1 -2,-0.1 865,-0.1 129,-0.0 -0.337 98.3 -76.2 -72.6 172.0 70.3 48.1 78.6 87 90 A T - 0 0 5 184,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.642 62.6-120.5 -71.7 128.0 70.2 46.6 75.1 88 91 A P - 0 0 3 0, 0.0 -9,-0.2 0, 0.0 3,-0.1 -0.374 7.8-141.2 -80.6 148.2 73.1 44.1 75.3 89 92 A A S S+ 0 0 0 -11,-0.4 91,-2.3 1,-0.2 2,-0.4 0.860 91.6 23.2 -68.6 -31.5 76.2 44.1 73.1 90 93 A T E -eF 79 179B 0 -12,-1.5 -10,-1.6 89,-0.2 2,-0.4 -0.997 58.8-172.1-144.2 138.0 76.0 40.3 73.0 91 94 A I E - F 0 178B 18 87,-1.5 86,-2.4 -2,-0.4 87,-1.1 -0.997 13.3-168.2-127.8 122.9 73.4 37.6 73.6 92 95 A V E - F 0 176B 0 7,-0.4 2,-0.6 -2,-0.4 84,-0.2 -0.921 12.7-147.5-115.0 141.5 74.5 33.9 73.7 93 96 A R E - F 0 175B 21 82,-2.8 82,-2.5 -2,-0.4 6,-0.2 -0.939 20.8-158.9-107.9 116.4 72.2 30.8 73.6 94 97 A N > - 0 0 12 4,-2.4 3,-2.4 -2,-0.6 80,-0.1 -0.460 32.4-102.8 -92.1 164.6 73.5 27.9 75.7 95 98 A P T 3 S+ 0 0 66 0, 0.0 1129,-0.1 0, 0.0 -1,-0.1 0.811 119.5 63.3 -56.2 -31.1 72.7 24.2 75.4 96 99 A D T 3 S- 0 0 48 1,-0.1 3,-0.1 1070,-0.1 1131,-0.0 0.499 119.8-111.0 -73.3 -0.9 70.4 24.4 78.5 97 100 A G S < S+ 0 0 9 -3,-2.4 -1,-0.1 1,-0.3 2,-0.0 0.304 78.2 125.0 92.4 -7.4 68.3 26.8 76.4 98 101 A S - 0 0 1 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.249 61.0-138.6 -81.1 169.4 69.2 29.8 78.5 99 102 A N + 0 0 8 1118,-0.3 -7,-0.4 -6,-0.2 2,-0.3 -0.081 52.3 142.9-115.6 34.1 70.6 33.1 77.3 100 103 A A + 0 0 4 -9,-0.1 2,-0.3 1117,-0.1 -19,-0.2 -0.562 14.5 158.5 -79.4 131.1 73.0 33.6 80.2 101 104 A L - 0 0 0 -21,-1.0 2,-0.4 -2,-0.3 -22,-0.1 -0.947 14.0-175.3-147.1 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422 A S - 0 0 1 -38,-1.9 6,-0.4 -2,-0.3 3,-0.2 -0.785 23.8-128.8 -99.8 151.5 67.1 35.3 36.5 420 423 A Y S S+ 0 0 69 25,-0.3 2,-1.6 -2,-0.3 -1,-0.1 0.923 109.2 62.6 -57.4 -42.5 64.5 32.4 36.1 421 424 A E S S+ 0 0 100 -43,-0.4 -41,-3.0 4,-0.1 2,-0.3 -0.577 86.6 101.5 -86.5 76.4 65.2 32.9 32.4 422 425 A S S > S- 0 0 0 -2,-1.6 4,-1.7 -3,-0.2 5,-0.1 -0.992 76.2-125.4-149.2 153.9 68.8 32.0 32.3 423 426 A N H > S+ 0 0 59 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.889 113.8 59.8 -61.3 -35.4 71.0 29.1 31.3 424 427 A L H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.940 107.1 43.8 -59.2 -46.3 72.4 29.3 34.8 425 428 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.815 112.2 53.1 -70.2 -29.3 69.1 28.7 36.4 426 429 A K H < S+ 0 0 114 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.853 117.3 37.8 -71.6 -32.0 68.3 25.9 34.0 427 430 A E H < S+ 0 0 134 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.761 134.8 17.8 -91.9 -27.7 71.5 24.2 34.8 428 431 A H >< + 0 0 58 -4,-2.6 3,-3.0 -5,-0.2 4,-0.2 -0.401 63.9 164.1-142.1 61.4 71.7 24.9 38.6 429 432 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A N H X S+ 0 0 38 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.924 113.5 40.8 -54.2 -50.2 80.8 29.1 38.9 460 463 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.924 113.9 54.4 -64.8 -43.2 80.5 32.9 38.7 461 464 A F H X S+ 0 0 6 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.868 109.3 47.4 -58.4 -38.1 84.3 33.3 39.2 462 465 A E H X S+ 0 0 104 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.805 111.0 52.4 -76.5 -28.9 85.0 30.9 36.4 463 466 A Q H X S+ 0 0 40 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.934 112.8 42.9 -68.9 -46.2 82.5 32.8 34.1 464 467 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.3 0.870 108.4 58.7 -70.0 -37.7 84.0 36.2 34.8 465 468 A V H X S+ 0 0 9 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.874 97.5 61.4 -61.1 -37.0 87.6 34.9 34.5 466 469 A K H < S+ 0 0 166 -4,-1.3 4,-0.2 1,-0.2 -1,-0.2 0.931 115.0 34.9 -51.8 -45.9 86.9 33.7 30.9 467 470 A I H >< S+ 0 0 27 -4,-1.0 3,-0.6 -3,-0.3 5,-0.3 0.883 120.3 46.0 -76.6 -41.7 86.1 37.4 30.0 468 471 A L H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 5,-0.3 0.750 92.7 75.1 -81.4 -25.8 88.6 39.2 32.2 469 472 A D T 3< S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.694 81.9 72.4 -61.1 -20.7 91.8 37.1 31.5 470 473 A S T < S- 0 0 58 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.802 95.4-142.1 -60.4 -28.9 92.1 38.8 28.1 471 474 A K S < S+ 0 0 120 -3,-1.9 -2,-0.1 -4,-0.2 -3,-0.1 0.656 70.9 116.9 68.1 18.6 93.2 42.0 30.0 472 475 A K + 0 0 62 -5,-0.3 2,-0.7 1,-0.1 -63,-0.3 0.617 55.7 81.8 -83.4 -16.2 91.2 44.0 27.5 473 476 A I + 0 0 6 -5,-0.3 -63,-0.2 -6,-0.2 -2,-0.1 -0.825 52.6 176.0 -97.9 109.3 88.9 45.2 30.4 474 477 A D + 0 0 41 -65,-2.3 49,-2.3 -2,-0.7 2,-0.3 0.483 67.6 23.3 -88.9 -5.2 90.5 48.1 32.3 475 478 A Y E -ef 410 523G 0 -66,-0.8 -64,-1.9 47,-0.3 2,-0.4 -0.980 62.3-155.2-165.6 141.5 87.6 48.7 34.6 476 479 A I E -ef 411 524G 0 47,-2.3 49,-3.1 -2,-0.3 2,-0.7 -0.991 7.3-154.3-129.9 134.4 84.7 46.9 36.1 477 480 A K E -ef 412 525G 8 -66,-2.5 -64,-2.4 -2,-0.4 2,-0.9 -0.928 16.5-159.5-106.1 105.9 81.4 48.2 37.4 478 481 A W E -ef 413 526G 1 47,-1.9 49,-1.4 -2,-0.7 -64,-0.2 -0.767 16.6-174.2 -91.3 104.6 80.1 45.6 39.9 479 482 A D - 0 0 10 -66,-3.2 -63,-0.4 -2,-0.9 2,-0.2 -0.463 19.3-172.8 -99.9 170.4 76.4 46.2 40.3 480 483 A M - 0 0 0 -2,-0.1 52,-0.1 -66,-0.1 -66,-0.1 -0.736 4.5-172.5-167.5 102.4 73.8 44.6 42.6 481 484 A N + 0 0 16 -2,-0.2 2,-0.3 47,-0.1 305,-0.3 0.186 54.6 34.0-106.3 17.2 70.2 45.5 42.1 482 485 A R - 0 0 5 303,-0.1 2,-0.1 304,-0.0 305,-0.1 -0.990 69.4-110.1-159.3 159.4 68.0 44.1 44.9 483 486 A S - 0 0 1 -2,-0.3 2,-0.5 303,-0.3 -260,-0.2 -0.392 42.1 -99.4 -80.8 163.7 67.9 43.3 48.6 484 487 A L + 0 0 2 -262,-2.8 3,-0.1 1,-0.2 -260,-0.1 -0.753 47.9 160.8 -82.9 129.7 67.8 39.7 50.0 485 488 A S + 0 0 8 -2,-0.5 2,-0.8 1,-0.2 328,-0.3 0.682 60.4 56.7-117.4 -34.7 64.3 38.7 51.0 486 489 A D S S- 0 0 12 -53,-0.2 2,-0.8 -45,-0.2 -1,-0.2 -0.798 75.3-156.4-110.5 94.6 64.3 34.9 51.2 487 490 A I + 0 0 7 -2,-0.8 342,-0.3 -3,-0.1 2,-0.3 -0.568 37.4 116.4 -88.2 107.0 66.9 34.0 53.7 488 491 A Y - 0 0 24 -2,-0.8 2,-0.4 340,-0.1 -54,-0.1 -0.974 43.5-156.6-161.0 147.5 68.3 30.4 53.3 489 492 A E > - 0 0 5 -2,-0.3 3,-1.9 3,-0.1 7,-0.1 -0.929 17.3-154.2-128.2 109.3 71.4 28.5 52.6 490 493 A S T 3 S+ 0 0 56 -2,-0.4 -1,-0.1 1,-0.3 -59,-0.0 0.628 88.8 55.6 -64.2 -17.6 70.5 25.1 51.3 491 494 A D T 3 S+ 0 0 90 2,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.614 89.9 89.1 -89.7 -13.4 73.7 23.4 52.4 492 495 A L S < S- 0 0 17 -3,-1.9 -3,-0.1 1,-0.1 5,-0.1 -0.600 83.4-110.5 -83.5 144.2 73.5 24.4 56.1 493 496 A P > - 0 0 68 0, 0.0 3,-2.7 0, 0.0 4,-0.2 -0.342 38.3-101.3 -62.5 155.5 71.7 22.2 58.7 494 497 A A G > S+ 0 0 44 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.856 122.5 57.2 -49.1 -43.7 68.4 23.7 60.1 495 498 A D G 3 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.573 105.0 54.1 -70.4 -5.0 70.1 24.8 63.3 496 499 A Q G X S+ 0 0 35 -3,-2.7 3,-1.8 1,-0.1 -1,-0.3 0.274 71.4 103.7-109.8 9.8 72.6 26.9 61.2 497 500 A Q G X + 0 0 2 -3,-1.7 3,-1.5 1,-0.3 4,-0.3 0.703 67.4 73.5 -70.1 -17.1 70.2 29.0 59.1 498 501 A G G 3 S+ 0 0 6 -216,-0.3 -216,-1.8 1,-0.2 -1,-0.3 0.442 89.6 63.0 -69.9 1.2 70.8 32.0 61.3 499 502 A E G <> S+ 0 0 2 -3,-1.8 4,-2.8 -218,-0.2 5,-0.3 0.449 75.7 93.2-101.6 -3.2 74.2 32.1 59.5 500 503 A A H <> S+ 0 0 7 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.954 83.2 47.7 -59.3 -59.0 72.8 32.8 56.1 501 504 A Y H > S+ 0 0 15 -221,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.925 118.4 39.4 -43.0 -59.3 72.9 36.6 56.1 502 505 A H H > S+ 0 0 3 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.898 112.7 54.9 -69.5 -39.7 76.5 36.8 57.3 503 506 A R H X S+ 0 0 68 -4,-2.8 4,-3.6 1,-0.2 -1,-0.2 0.880 104.4 56.6 -58.5 -38.9 77.8 33.9 55.2 504 507 A Y H X S+ 0 0 3 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.921 108.7 45.6 -57.2 -46.2 76.4 35.6 52.2 505 508 A V H X S+ 0 0 4 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.878 112.8 50.9 -66.1 -37.6 78.5 38.7 53.0 506 509 A L H X S+ 0 0 47 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.955 111.8 47.1 -64.9 -45.9 81.5 36.4 53.7 507 510 A G H X S+ 0 0 1 -4,-3.6 4,-3.1 2,-0.2 5,-0.2 0.953 113.2 49.7 -55.7 -51.1 80.9 34.7 50.3 508 511 A Y H X S+ 0 0 2 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.946 111.9 46.4 -51.9 -57.5 80.6 38.1 48.6 509 512 A Y H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.842 113.7 50.9 -55.7 -36.4 83.8 39.5 50.2 510 513 A D H X S+ 0 0 83 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.939 111.8 44.9 -70.4 -47.4 85.6 36.3 49.3 511 514 A L H X S+ 0 0 3 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.948 116.9 46.3 -59.6 -48.9 84.5 36.3 45.6 512 515 A L H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.2 5,-0.3 0.918 111.2 51.7 -61.2 -43.6 85.3 40.1 45.4 513 516 A N H X S+ 0 0 53 -4,-2.4 4,-2.0 -5,-0.3 5,-0.3 0.923 107.9 53.2 -59.9 -43.4 88.6 39.6 47.1 514 517 A K H X S+ 0 0 91 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.951 114.7 40.2 -54.1 -53.4 89.5 36.8 44.6 515 518 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.948 115.1 49.8 -65.6 -48.4 88.8 39.0 41.6 516 519 A V H < S+ 0 0 21 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.796 114.0 46.3 -63.7 -28.0 90.3 42.2 42.9 517 520 A T H < S+ 0 0 86 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.843 113.6 48.2 -82.5 -32.0 93.5 40.4 43.9 518 521 A R H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.766 118.7 40.3 -79.7 -26.7 93.8 38.5 40.6 519 522 A Y >< + 0 0 3 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.3 -0.603 63.6 157.3-123.3 70.8 93.2 41.7 38.6 520 523 A P T 3 S+ 0 0 66 0, 0.0 -196,-0.4 0, 0.0 -1,-0.1 0.541 75.7 58.4 -68.2 -8.7 95.2 44.4 40.4 521 524 A D T 3 S+ 0 0 101 -3,-0.1 2,-0.5 -198,-0.1 -5,-0.1 0.329 85.5 94.0-107.3 5.1 95.3 46.4 37.2 522 525 A I S < S- 0 0 8 -3,-1.5 2,-0.7 -6,-0.2 -47,-0.3 -0.877 74.5-134.9 -95.6 123.8 91.5 46.6 36.8 523 526 A L E -f 475 0G 2 -49,-2.3 -47,-2.3 -2,-0.5 2,-0.5 -0.712 24.7-153.3 -72.4 112.6 89.8 49.7 38.3 524 527 A F E -f 476 0G 4 -2,-0.7 20,-0.8 -49,-0.2 2,-0.6 -0.818 11.3-168.8 -95.5 123.8 86.8 48.4 40.3 525 528 A E E -fg 477 544G 1 -49,-3.1 -47,-1.9 -2,-0.5 20,-0.2 -0.965 15.7-142.0-111.5 117.4 83.9 50.7 40.8 526 529 A G E +fg 478 545G 0 18,-2.7 20,-2.6 -2,-0.6 2,-0.3 -0.368 26.3 167.7 -71.5 152.8 81.3 49.4 43.3 527 530 A C + 0 0 5 -49,-1.4 4,-0.2 18,-0.2 2,-0.1 -0.958 23.3 177.7-164.2 148.0 77.6 49.9 42.7 528 531 A S B > S-n 531 0L 0 2,-2.6 4,-1.1 18,-0.3 -47,-0.1 -0.545 87.9 -49.4-155.6 80.6 74.3 48.7 44.1 529 532 A G T 4 S- 0 0 0 2,-0.1 20,-0.5 3,-0.1 2,-0.4 0.953 121.0 -46.4 47.9 52.9 71.4 50.4 42.3 530 533 A G B 4 S-O 548 0M 0 18,-0.3 -2,-2.6 1,-0.1 2,-0.8 -0.788 128.1 -6.8 86.7-135.7 73.5 53.5 43.1 531 534 A G B >4 S+n 528 0L 0 16,-0.6 3,-0.6 -2,-0.4 -2,-0.1 -0.269 87.4 125.3 -96.1 48.1 74.8 53.8 46.6 532 535 A G T 3< S+ 0 0 0 -4,-1.1 -306,-1.8 -2,-0.8 -1,-0.2 0.565 84.2 30.7 -83.7 -10.4 73.0 50.8 48.1 533 536 A R T 3 S+ 0 0 8 -3,-0.4 2,-0.9 -308,-0.2 -1,-0.3 -0.388 79.4 144.3-142.3 59.4 76.3 49.3 49.4 534 537 A F < + 0 0 0 -3,-0.6 2,-0.3 -308,-0.3 -3,-0.1 -0.780 29.3 123.6-108.5 85.9 78.4 52.4 50.1 535 538 A D S > S- 0 0 0 -2,-0.9 4,-1.8 -305,-0.1 -282,-0.1 -0.888 74.1 -98.5-143.8 171.9 80.4 51.7 53.2 536 539 A V H > S+ 0 0 2 -284,-0.4 4,-0.7 -2,-0.3 -283,-0.2 0.816 119.8 57.1 -63.0 -32.1 83.9 51.5 54.6 537 540 A G H >4 S+ 0 0 0 -285,-0.5 3,-1.5 -283,-0.3 4,-0.5 0.970 105.7 48.8 -60.3 -54.4 84.0 47.7 54.1 538 541 A Q H >> S+ 0 0 3 1,-0.3 4,-2.8 2,-0.2 3,-1.8 0.863 100.7 67.1 -53.1 -37.8 83.3 48.1 50.4 539 542 A A H 3< S+ 0 0 1 -4,-1.8 -217,-0.4 1,-0.3 -1,-0.3 0.800 88.6 65.9 -54.6 -32.3 86.1 50.6 50.2 540 543 A Y T << S+ 0 0 28 -3,-1.5 -218,-0.8 -4,-0.7 -1,-0.3 0.793 116.7 25.9 -61.8 -28.8 88.6 47.9 50.9 541 544 A Y T <4 S+ 0 0 7 -3,-1.8 -2,-0.2 -4,-0.5 -17,-0.2 0.830 126.1 39.9-103.9 -46.3 87.8 46.3 47.6 542 545 A T < - 0 0 0 -4,-2.8 -1,-0.3 1,-0.1 -17,-0.1 -0.945 61.4-156.8-116.1 119.1 86.5 49.0 45.3 543 546 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 0.491 81.1 30.5 -72.9 -5.0 88.2 52.5 45.4 544 547 A Q E -g 525 0G 3 -20,-0.8 -18,-2.7 2,-0.0 2,-0.4 -0.989 65.4-162.8-152.2 153.8 85.1 54.2 44.0 545 548 A I E -gh 526 572G 1 26,-2.4 28,-1.7 -2,-0.3 2,-0.4 -1.000 32.0-110.8-141.0 134.2 81.4 53.7 44.2 546 549 A W E - h 0 573G 5 -20,-2.6 -18,-0.3 -2,-0.4 3,-0.1 -0.521 33.4-150.5 -63.6 118.5 78.5 55.0 42.1 547 550 A A - 0 0 0 26,-1.2 -16,-0.6 -2,-0.4 2,-0.3 0.792 59.6 -20.9 -72.0 -30.4 76.8 57.4 44.6 548 551 A S B -O 530 0M 0 -18,-0.3 -18,-0.3 25,-0.3 -1,-0.2 -0.909 44.2-124.3-177.5 142.5 73.2 57.2 43.4 549 552 A D S S+ 0 0 37 -20,-0.5 2,-0.6 -2,-0.3 -19,-0.1 0.650 93.3 93.4 -67.8 -15.6 71.0 56.4 40.5 550 553 A N + 0 0 4 1,-0.1 -347,-0.1 33,-0.1 -349,-0.1 -0.726 50.1 172.1 -79.0 117.8 69.7 60.0 41.0 551 554 A T + 0 0 5 -2,-0.6 26,-0.5 23,-0.1 2,-0.4 0.028 27.4 131.1-119.2 24.7 71.7 62.2 38.7 552 555 A D > - 0 0 2 1,-0.2 4,-2.3 29,-0.1 5,-0.2 -0.662 59.3-134.9 -71.9 130.8 69.8 65.4 39.1 553 556 A A H > S+ 0 0 4 -2,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.900 101.8 45.4 -47.9 -45.8 72.4 68.1 39.8 554 557 A I H >> S+ 0 0 17 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.950 114.5 42.2 -74.3 -49.7 70.2 69.5 42.6 555 558 A E H >> S+ 0 0 45 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.833 107.8 63.7 -66.7 -30.6 69.2 66.4 44.5 556 559 A R H 3X S+ 0 0 6 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.729 90.4 70.3 -61.2 -25.9 72.8 65.1 44.1 557 560 A L H < S+ 0 0 0 -4,-2.8 3,-1.3 -358,-0.3 4,-0.4 0.889 112.5 55.0 -63.6 -40.0 75.9 63.5 53.2 563 566 A T H >X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 3,-1.7 0.923 101.4 58.8 -60.5 -39.6 78.2 61.0 51.5 564 567 A S H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.662 84.7 82.7 -65.7 -16.6 81.1 63.3 52.2 565 568 A L T << S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.839 117.8 2.0 -54.8 -34.8 80.3 63.1 55.9 566 569 A V T <4 S+ 0 0 0 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.1 0.697 121.1 69.9-120.0 -39.2 82.3 59.8 56.0 567 570 A Y S < S- 0 0 1 -4,-2.3 -254,-0.1 1,-0.1 -1,-0.1 -0.646 76.6-114.7-105.1 141.8 83.7 59.0 52.6 568 571 A P > - 0 0 6 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.352 29.6-121.0 -69.0 149.9 86.5 60.7 50.6 569 572 A Q G > S+ 0 0 6 1,-0.3 3,-1.6 67,-0.2 32,-0.4 0.790 110.1 64.8 -70.7 -25.3 85.3 62.4 47.4 570 573 A S G 3 S+ 0 0 2 64,-0.5 -1,-0.3 1,-0.3 65,-0.1 0.681 95.6 63.2 -65.8 -15.1 87.6 60.2 45.2 571 574 A M G < S+ 0 0 0 -3,-1.6 -26,-2.4 -27,-0.2 2,-0.4 0.541 95.8 66.5 -89.2 -8.8 85.5 57.3 46.4 572 575 A M E < -h 545 0G 1 -3,-1.6 29,-2.5 -28,-0.2 2,-0.4 -0.925 69.3-149.8-116.7 143.4 82.2 58.6 44.9 573 576 A T E -hi 546 601G 1 -28,-1.7 -26,-1.2 -2,-0.4 2,-0.4 -0.871 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