==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-11 3RCN . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR Y.KIM,G.CHHOR,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 525 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 5.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 1 1 1 1 3 0 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 2 3 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 . 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 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 1 A X 0 0 207 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.1 -6.1 6.3 173.3 2 2 A S + 0 0 69 1,-0.2 14,-1.7 13,-0.1 16,-0.0 0.767 360.0 37.1 -80.0 -30.9 -7.3 8.1 176.4 3 3 A A S S+ 0 0 88 12,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.370 95.1 111.5 -96.6 1.8 -4.3 7.4 178.7 4 4 A F + 0 0 122 -3,-0.2 2,-0.3 2,-0.0 11,-0.0 -0.689 31.6 138.7 -91.3 123.1 -1.7 7.7 175.8 5 5 A H - 0 0 34 -2,-0.5 5,-0.0 2,-0.1 100,-0.0 -0.970 42.0-147.5-150.3 151.7 0.8 10.6 175.7 6 6 A Q + 0 0 60 -2,-0.3 484,-0.3 98,-0.1 483,-0.2 0.209 50.4 137.9-100.2 7.1 4.4 10.9 174.8 7 7 A L - 0 0 6 482,-0.1 -2,-0.1 2,-0.0 479,-0.1 -0.306 44.7-132.3 -54.2 132.7 5.3 13.8 177.2 8 8 A I S S+ 0 0 0 1,-0.2 2,-0.1 2,-0.1 457,-0.1 -0.991 95.2 36.3-131.0 136.3 8.5 13.9 179.2 9 9 A P S S- 0 0 2 0, 0.0 -1,-0.2 0, 0.0 456,-0.1 0.537 105.9-123.8 -60.7 145.1 8.6 14.5 182.1 10 10 A A - 0 0 15 -2,-0.1 463,-0.3 1,-0.1 -2,-0.1 -0.430 25.5-122.6 -62.5 130.7 5.3 12.6 182.4 11 11 A P - 0 0 12 0, 0.0 462,-0.2 0, 0.0 120,-0.2 -0.196 19.7-112.3 -69.2 164.6 2.6 14.9 184.0 12 12 A W S S+ 0 0 77 118,-0.3 2,-0.4 1,-0.2 119,-0.2 0.924 98.9 13.8 -70.9 -44.0 0.8 13.8 187.1 13 13 A S E +A 130 0A 54 117,-2.3 117,-2.1 2,-0.0 2,-0.4 -0.999 69.6 177.7-133.1 138.7 -2.6 13.3 185.5 14 14 A F E +A 129 0A 39 -2,-0.4 2,-0.4 115,-0.2 115,-0.2 -0.995 5.7 173.4-140.8 131.4 -3.5 13.1 181.8 15 15 A S E -A 128 0A 55 113,-2.2 113,-2.6 -2,-0.4 2,-0.4 -0.991 21.0-141.4-136.8 132.1 -6.7 12.6 179.8 16 16 A A E -A 127 0A 23 -14,-1.7 111,-0.3 -2,-0.4 2,-0.1 -0.737 14.1-164.2 -92.3 135.1 -7.3 12.8 176.1 17 17 A G E - 0 0 42 109,-3.8 2,-0.5 -2,-0.4 109,-0.1 -0.046 38.2 -72.6 -89.8-156.5 -10.4 14.3 174.6 18 18 A T E S- 0 0 135 107,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.892 83.2 -14.9-109.6 133.1 -11.6 13.9 171.0 19 19 A G E S- 0 0 44 -2,-0.5 107,-2.1 106,-0.1 2,-0.4 -0.311 77.4 -69.0 87.8-163.2 -10.0 15.6 168.1 20 20 A E E -A 125 0A 91 105,-0.3 2,-0.5 -2,-0.1 103,-0.0 -0.998 26.2-138.3-139.6 132.8 -7.6 18.4 167.5 21 21 A L E -A 124 0A 22 103,-2.8 103,-2.6 -2,-0.4 2,-0.5 -0.852 27.4-138.9 -91.0 129.5 -7.9 22.2 167.9 22 22 A E E -A 123 0A 125 -2,-0.5 2,-0.5 101,-0.2 101,-0.2 -0.777 10.2-155.7 -95.2 130.9 -6.3 24.0 165.0 23 23 A L E -A 122 0A 6 99,-2.6 99,-1.6 -2,-0.5 2,-0.1 -0.919 12.6-167.6-106.1 123.3 -4.2 27.1 165.6 24 24 A D > - 0 0 92 -2,-0.5 3,-1.6 97,-0.2 97,-0.1 -0.357 43.0 -89.1 -97.7-177.6 -3.9 29.5 162.7 25 25 A A T 3 S+ 0 0 57 95,-0.3 28,-0.7 1,-0.3 29,-0.4 0.535 123.0 64.6 -72.1 -6.7 -1.6 32.5 162.2 26 26 A G T 3 + 0 0 58 26,-0.1 -1,-0.3 27,-0.1 37,-0.1 0.467 69.7 133.7 -93.4 -4.1 -4.2 34.7 163.9 27 27 A T < - 0 0 12 -3,-1.6 27,-0.4 36,-0.1 2,-0.3 -0.216 41.4-156.7 -52.5 130.4 -3.9 32.9 167.3 28 28 A S - 0 0 27 26,-0.2 36,-2.4 33,-0.1 2,-0.5 -0.728 7.4-134.9-113.9 156.4 -3.6 35.5 170.1 29 29 A V E -bc 56 64A 0 26,-1.7 28,-0.9 -2,-0.3 2,-0.3 -0.950 19.9-174.2-120.4 112.7 -2.1 35.1 173.6 30 30 A G E + c 0 65A 0 34,-2.5 36,-2.1 -2,-0.5 2,-0.3 -0.744 6.4 175.9 -96.4 153.5 -3.9 36.4 176.7 31 31 A A E - c 0 66A 2 26,-0.5 28,-0.3 -2,-0.3 36,-0.2 -0.985 32.7-116.6-153.8 147.3 -2.6 36.4 180.3 32 32 A D > - 0 0 29 34,-2.1 3,-2.4 -2,-0.3 4,-0.4 -0.499 50.4-100.0 -68.8 151.6 -3.4 37.6 183.8 33 33 A P G > S+ 0 0 80 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.787 122.6 56.5 -48.7 -39.9 -0.8 40.2 185.1 34 34 A E G 3 S+ 0 0 104 1,-0.2 3,-0.3 2,-0.1 58,-0.2 0.772 109.9 46.4 -61.2 -31.2 1.1 37.7 187.1 35 35 A L G <> S+ 0 0 0 -3,-2.4 4,-2.2 31,-0.2 -1,-0.2 0.288 75.8 103.1 -97.4 3.6 1.7 35.6 184.0 36 36 A R H <> S+ 0 0 99 -3,-1.2 4,-2.0 -4,-0.4 -1,-0.2 0.847 79.3 61.1 -57.1 -30.8 2.7 38.3 181.5 37 37 A G H > S+ 0 0 29 -3,-0.3 4,-1.6 -4,-0.3 3,-0.3 0.977 107.4 40.4 -59.0 -57.5 6.3 37.0 182.0 38 38 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.816 109.5 61.7 -61.6 -30.9 5.5 33.6 180.7 39 39 A R H X S+ 0 0 43 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.921 103.9 49.9 -59.8 -43.4 3.3 35.1 177.9 40 40 A R H X S+ 0 0 151 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.920 110.2 49.2 -60.2 -45.7 6.4 36.9 176.6 41 41 A W H X S+ 0 0 12 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.923 113.0 46.2 -62.3 -45.7 8.5 33.7 176.6 42 42 A L H X>S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.7 0.941 110.6 53.5 -61.2 -49.2 5.9 31.7 174.7 43 43 A T H X5S+ 0 0 44 -4,-2.7 4,-1.6 -5,-0.2 5,-0.3 0.915 113.5 43.6 -49.3 -48.8 5.4 34.5 172.2 44 44 A R H X5S+ 0 0 136 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.926 119.2 41.3 -65.3 -45.4 9.1 34.6 171.5 45 45 A A H X5S+ 0 0 28 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.957 122.4 36.4 -71.8 -50.4 9.5 30.8 171.4 46 46 A L H X5S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 6,-0.4 0.830 114.4 56.5 -74.9 -35.4 6.4 29.8 169.4 47 47 A G H X - 0 0 75 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.384 56.8-115.8 -55.5 137.6 -7.7 40.2 176.7 59 59 A A G > S+ 0 0 15 -28,-0.3 3,-0.9 1,-0.3 -29,-0.3 0.781 110.4 42.4 -50.1 -47.0 -7.0 37.0 178.8 60 60 A R G 3 S+ 0 0 156 1,-0.2 -1,-0.3 -29,-0.1 5,-0.1 0.681 115.4 54.8 -74.5 -16.8 -10.5 35.4 178.8 61 61 A E G < S+ 0 0 141 -3,-1.6 -1,-0.2 3,-0.1 -2,-0.2 0.290 89.5 102.3 -96.1 5.6 -10.8 36.2 175.1 62 62 A A S < S- 0 0 1 -3,-0.9 3,-0.2 -4,-0.3 -33,-0.1 -0.520 71.7-127.1-111.9 157.8 -7.7 34.6 173.6 63 63 A G S S+ 0 0 24 -35,-0.3 22,-3.3 1,-0.3 2,-0.6 0.929 110.5 30.7 -60.6 -48.5 -6.7 31.6 171.7 64 64 A I E S-cd 29 85A 0 -36,-2.4 -34,-2.5 20,-0.2 2,-0.5 -0.964 83.1-172.3-112.7 110.7 -4.0 30.8 174.2 65 65 A R E -cd 30 86A 50 20,-2.9 22,-3.4 -2,-0.6 2,-0.6 -0.905 14.5-163.0-107.6 128.4 -5.0 31.9 177.7 66 66 A L E -cd 31 87A 1 -36,-2.1 -34,-2.1 -2,-0.5 2,-0.4 -0.931 22.2-173.3-107.7 109.0 -2.7 31.9 180.7 67 67 A L E - d 0 88A 17 20,-2.8 22,-2.5 -2,-0.6 2,-0.4 -0.854 23.3-125.3-113.8 135.2 -4.9 32.2 183.8 68 68 A L E - d 0 89A 47 -2,-0.4 22,-0.2 20,-0.2 20,-0.1 -0.623 24.1-179.1 -76.4 125.6 -4.0 32.6 187.5 69 69 A D > - 0 0 29 20,-3.2 3,-2.3 -2,-0.4 22,-0.0 -0.867 10.1-166.4-124.9 94.8 -5.5 30.0 189.8 70 70 A P T 3 S+ 0 0 108 0, 0.0 20,-0.1 0, 0.0 -1,-0.1 0.660 83.1 68.6 -59.5 -17.2 -4.5 30.8 193.4 71 71 A S T 3 S+ 0 0 103 18,-0.1 2,-0.2 2,-0.1 19,-0.1 0.655 89.2 78.6 -78.0 -16.9 -5.6 27.4 194.6 72 72 A L S < S- 0 0 41 -3,-2.3 17,-0.1 1,-0.1 22,-0.1 -0.610 94.0 -99.5 -82.2 150.6 -2.8 25.7 192.7 73 73 A D > - 0 0 96 -2,-0.2 3,-1.6 1,-0.1 17,-1.1 -0.326 37.9-107.7 -59.4 152.3 0.8 25.6 193.9 74 74 A A T 3 S+ 0 0 55 16,-0.3 20,-1.5 1,-0.3 17,-0.4 0.805 120.6 39.2 -53.7 -38.3 3.2 28.2 192.3 75 75 A E T 3 S+ 0 0 31 18,-0.2 -1,-0.3 19,-0.1 2,-0.3 0.347 103.5 95.0 -93.8 4.7 5.0 25.6 190.1 76 76 A A < + 0 0 6 -3,-1.6 14,-1.4 56,-0.1 15,-0.4 -0.676 50.4 176.6-100.7 148.1 1.8 23.7 189.4 77 77 A Y E -EF 89 131A 1 54,-2.4 54,-2.7 -2,-0.3 2,-0.4 -0.974 23.8-143.7-144.5 162.7 -0.5 24.1 186.4 78 78 A R E -EF 88 130A 76 10,-3.0 10,-2.6 -2,-0.3 2,-0.5 -0.985 17.8-157.9-122.9 137.8 -3.6 22.8 184.7 79 79 A L E -EF 87 129A 0 50,-3.1 50,-2.7 -2,-0.4 2,-0.5 -0.964 9.9-175.8-125.4 123.6 -3.8 22.6 180.9 80 80 A E E -EF 86 128A 67 6,-3.0 6,-3.4 -2,-0.5 2,-0.5 -0.955 12.3-160.1-126.2 127.0 -7.1 22.5 179.0 81 81 A V E +E 85 0A 6 46,-2.2 4,-0.2 -2,-0.5 2,-0.1 -0.939 40.7 117.9-114.9 124.4 -7.7 22.1 175.3 82 82 A S S S- 0 0 37 2,-2.1 45,-0.0 -2,-0.5 -65,-0.0 -0.268 90.3 -32.0-154.4-159.5 -11.1 23.2 174.1 83 83 A D S S+ 0 0 130 -2,-0.1 2,-0.3 -62,-0.1 -2,-0.0 0.645 140.5 21.2 -50.7 -20.7 -12.4 25.9 171.7 84 84 A A S S- 0 0 3 -4,-0.0 -2,-2.1 2,-0.0 2,-0.7 -0.929 89.9-102.6-140.5 169.6 -9.2 27.5 173.1 85 85 A V E -dE 64 81A 0 -22,-3.3 -20,-2.9 -2,-0.3 2,-0.6 -0.872 41.4-172.7 -94.5 112.2 -5.9 26.5 174.8 86 86 A V E -dE 65 80A 23 -6,-3.4 -6,-3.0 -2,-0.7 2,-0.6 -0.912 10.0-174.7-116.3 115.5 -6.3 27.3 178.5 87 87 A I E -dE 66 79A 0 -22,-3.4 -20,-2.8 -2,-0.6 2,-0.4 -0.929 5.9-168.9-110.5 112.4 -3.4 27.1 181.0 88 88 A S E +dE 67 78A 13 -10,-2.6 -10,-3.0 -2,-0.6 2,-0.3 -0.831 14.9 165.7 -95.5 135.6 -4.2 27.7 184.7 89 89 A A E -dE 68 77A 0 -22,-2.5 -20,-3.2 -2,-0.4 -12,-0.2 -0.981 45.2-131.6-146.4 161.1 -1.3 28.2 187.1 90 90 A G S S- 0 0 20 -14,-1.4 -16,-0.3 -17,-1.1 2,-0.3 0.622 90.8 -11.2 -82.8 -14.7 -0.6 29.3 190.7 91 91 A G S > S- 0 0 12 -17,-0.4 4,-2.4 -15,-0.4 5,-0.2 -0.969 84.1 -74.4-166.5-179.5 2.3 31.5 189.5 92 92 A A H > S+ 0 0 30 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.929 124.8 51.2 -52.6 -53.8 4.6 32.5 186.7 93 93 A A H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 109.9 51.4 -55.2 -39.3 6.7 29.3 187.0 94 94 A G H > S+ 0 0 0 -20,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.941 110.3 47.2 -62.9 -48.0 3.6 27.2 186.8 95 95 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 -21,-0.2 -1,-0.2 0.861 109.9 55.6 -60.5 -36.9 2.4 29.0 183.7 96 96 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.948 107.7 46.9 -61.7 -49.1 5.9 28.6 182.2 97 97 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.862 109.3 54.8 -64.7 -33.8 5.8 24.8 182.7 98 98 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.941 105.5 53.9 -60.7 -47.4 2.3 24.7 181.2 99 99 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.870 106.9 51.1 -50.6 -45.3 3.8 26.4 178.2 100 100 A Q H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.938 108.1 51.2 -63.0 -45.3 6.5 23.8 177.9 101 101 A T H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.859 108.6 54.0 -59.2 -33.4 3.9 21.0 178.0 102 102 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 3,-0.2 0.965 105.1 51.7 -63.3 -53.1 2.0 22.9 175.2 103 103 A L H X S+ 0 0 3 -4,-2.4 4,-1.1 1,-0.3 3,-0.3 0.901 108.9 51.1 -52.9 -44.6 5.1 22.9 173.0 104 104 A Q H < S+ 0 0 10 -4,-2.2 3,-0.5 1,-0.2 -1,-0.3 0.893 107.3 54.6 -58.7 -39.6 5.5 19.2 173.4 105 105 A L H < S+ 0 0 24 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.817 106.4 51.2 -62.7 -32.5 1.8 18.8 172.5 106 106 A L H < S- 0 0 23 -4,-1.8 17,-0.3 -3,-0.3 -1,-0.2 0.713 116.9-115.0 -77.1 -21.7 2.4 20.7 169.2 107 107 A G >< - 0 0 18 -4,-1.1 3,-2.1 -3,-0.5 4,-0.2 -0.263 37.4 -56.1 106.0 167.7 5.4 18.5 168.3 108 108 A P G > S+ 0 0 50 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.687 122.4 68.5 -56.5 -25.4 9.1 18.8 167.7 109 109 A A G > S+ 0 0 19 1,-0.3 3,-1.1 -3,-0.2 7,-0.2 0.738 88.3 67.9 -69.4 -19.1 8.8 21.6 165.1 110 110 A A G < S+ 0 0 2 -3,-2.1 -1,-0.3 -7,-0.3 -61,-0.2 0.647 95.4 56.8 -70.2 -15.4 7.6 23.8 167.9 111 111 A L G < S+ 0 0 15 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.421 84.4 102.9 -95.4 -3.3 11.1 23.7 169.4 112 112 A R S < S- 0 0 98 -3,-1.1 385,-0.1 -4,-0.2 384,-0.1 -0.413 72.8-133.1 -75.1 158.6 12.9 25.0 166.3 113 113 A Q S S+ 0 0 144 383,-0.2 -1,-0.1 1,-0.1 -63,-0.1 0.511 93.6 27.4 -90.3 -7.5 14.2 28.6 166.2 114 114 A A S S- 0 0 59 -65,-0.1 2,-0.2 -5,-0.1 -65,-0.2 -0.977 103.9 -82.8-145.7 154.6 12.7 29.1 162.7 115 115 A P + 0 0 65 0, 0.0 -65,-0.1 0, 0.0 -66,-0.1 -0.396 37.2 175.6 -66.6 127.8 9.7 27.4 161.0 116 116 A V + 0 0 95 -67,-0.3 2,-0.2 -7,-0.2 -66,-0.1 0.256 63.2 61.6-100.8 3.7 10.5 24.0 159.4 117 117 A V S S- 0 0 72 -68,-0.3 0, 0.0 -8,-0.1 0, 0.0 -0.726 95.5 -92.2-127.3 180.0 6.9 23.3 158.5 118 118 A A - 0 0 79 -2,-0.2 4,-0.1 1,-0.1 -1,-0.0 0.849 40.2-157.3 -59.5 -41.5 4.0 24.6 156.3 119 119 A V + 0 0 37 2,-0.3 3,-0.2 1,-0.1 -94,-0.1 0.623 56.0 121.6 65.4 21.2 2.4 26.8 159.1 120 120 A E S S- 0 0 164 1,-0.4 -95,-0.3 -96,-0.1 2,-0.3 0.951 91.5 -20.3 -74.3 -47.8 -1.0 26.7 157.4 121 121 A G - 0 0 42 -97,-0.1 -1,-0.4 -96,-0.1 2,-0.3 -0.982 59.6-156.9-151.5 155.0 -2.3 25.2 160.6 122 122 A W E -A 23 0A 19 -99,-1.6 -99,-2.6 -2,-0.3 2,-0.4 -0.896 19.9-140.0-120.0 158.4 -0.9 23.4 163.6 123 123 A S E -A 22 0A 39 -2,-0.3 -101,-0.2 -17,-0.3 -2,-0.0 -0.976 11.4-162.6-127.5 135.1 -2.9 21.1 165.7 124 124 A V E -A 21 0A 0 -103,-2.6 -103,-2.8 -2,-0.4 -18,-0.1 -0.958 29.6-125.0-105.6 119.6 -3.1 20.6 169.4 125 125 A P E -A 20 0A 39 0, 0.0 2,-0.6 0, 0.0 -105,-0.3 -0.326 34.9-103.6 -56.8 145.6 -4.8 17.3 170.4 126 126 A R E + 0 0 79 -107,-2.1 -109,-3.8 -109,-0.1 2,-0.3 -0.662 62.0 147.6 -80.2 119.8 -7.7 18.0 172.9 127 127 A V E -A 16 0A 2 -2,-0.6 -46,-2.2 -111,-0.3 2,-0.4 -0.940 44.4-135.8-144.0 163.5 -6.5 17.0 176.4 128 128 A S E -AF 15 80A 44 -113,-2.6 -113,-2.2 -2,-0.3 2,-0.4 -0.997 28.2-178.3-121.6 125.0 -6.8 17.9 180.0 129 129 A V E -AF 14 79A 1 -50,-2.7 -50,-3.1 -2,-0.4 2,-0.4 -0.980 14.0-172.0-125.0 137.3 -3.6 17.9 182.0 130 130 A E E +AF 13 78A 108 -117,-2.1 -117,-2.3 -2,-0.4 2,-0.3 -0.994 22.3 171.9-126.7 127.0 -3.0 18.5 185.7 131 131 A D E + F 0 77A 7 -54,-2.7 -54,-2.4 -2,-0.4 -33,-0.1 -0.984 17.7 160.2-145.6 140.2 0.6 18.8 186.8 132 132 A K - 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0 0 35 -14,-0.2 2,-0.3 -13,-0.1 3,-0.0 -0.513 38.9-169.3 -72.4 134.8 52.6 28.6 190.9 266 269 A E - 0 0 90 -2,-0.2 3,-0.1 1,-0.1 -14,-0.1 -0.850 38.0 -72.2-124.4 163.3 50.7 28.3 187.7 267 270 A V - 0 0 7 -72,-0.3 -70,-0.3 -2,-0.3 -90,-0.2 -0.231 66.1 -99.9 -52.4 135.9 47.1 27.2 186.8 268 271 A W - 0 0 36 -92,-2.2 -1,-0.1 1,-0.1 -19,-0.0 -0.366 31.2-164.9 -65.1 135.3 46.9 23.4 187.3 269 272 A T + 0 0 22 -3,-0.1 -69,-1.1 -70,-0.1 2,-0.2 0.426 63.4 61.7 -97.5 1.4 47.2 21.4 184.1 270 273 A R S S- 0 0 66 -71,-0.2 2,-0.1 1,-0.1 -67,-0.1 -0.759 74.1-115.8-126.7 167.7 46.0 18.0 185.4 271 274 A W + 0 0 7 -2,-0.2 2,-0.1 -95,-0.0 -1,-0.1 -0.296 63.7 51.4 -88.9 179.5 42.9 16.4 186.9 272 275 A G S S- 0 0 18 -2,-0.1 2,-0.5 2,-0.1 -2,-0.0 -0.457 93.2 -19.8 97.3-162.0 42.3 14.9 190.4 273 276 A I - 0 0 87 -2,-0.1 2,-0.5 -97,-0.0 38,-0.1 -0.738 57.3-143.8 -94.3 129.1 42.9 16.0 193.9 274 277 A N - 0 0 11 -2,-0.5 -28,-0.3 36,-0.2 -27,-0.1 -0.766 12.9-162.8 -93.6 126.4 45.3 18.9 194.6 275 278 A E S S+ 0 0 118 -2,-0.5 2,-0.7 36,-0.1 40,-0.4 0.675 75.9 89.9 -75.1 -16.1 47.5 18.9 197.7 276 279 A T + 0 0 50 39,-0.1 -29,-0.5 38,-0.1 -28,-0.3 -0.726 60.3 151.4 -86.0 117.2 48.0 22.6 197.0 277 280 A V - 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0 0 1 -4,-3.0 -1,-0.2 -5,-0.2 -75,-0.0 -0.858 57.2-169.5-101.4 111.7 23.8 36.4 191.4 300 303 A P + 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -62,-0.1 0.564 44.2 133.6 -67.0 -14.8 20.4 37.0 193.2 301 304 A S - 0 0 5 -64,-0.4 -2,-0.1 1,-0.1 -65,-0.0 -0.071 60.6-136.2 -49.5 131.9 20.2 33.4 194.3 302 305 A P S S+ 0 0 73 0, 0.0 53,-2.4 0, 0.0 2,-0.4 0.753 92.0 55.1 -61.4 -25.5 19.3 32.7 198.1 303 306 A W E - k 0 355B 56 51,-0.2 2,-0.4 -66,-0.0 53,-0.2 -0.868 64.0-172.0-106.8 147.2 22.1 30.1 198.2 304 307 A I E - k 0 356B 0 51,-1.4 53,-2.2 -2,-0.4 2,-0.4 -0.998 23.7-129.5-133.5 130.6 25.8 30.6 197.3 305 308 A S E +jk 240 357B 1 -66,-2.8 -64,-2.2 -2,-0.4 53,-0.2 -0.683 25.4 177.0 -92.0 128.5 28.0 27.5 197.1 306 309 A L E - 0 0 2 51,-3.1 -63,-2.2 -2,-0.4 2,-0.6 0.366 27.8-149.8-100.1 1.7 31.4 27.4 198.9 307 310 A G E - k 0 358B 0 50,-0.6 52,-2.0 -65,-0.2 53,-0.5 -0.546 18.1-176.8 68.1-120.0 32.3 23.9 198.0 308 311 A G + 0 0 12 -2,-0.6 3,-0.3 -65,-0.4 -1,-0.2 0.352 34.4 135.9 105.2 -2.3 34.4 22.5 200.8 309 312 A D + 0 0 20 1,-0.2 -1,-0.3 -64,-0.1 -64,-0.3 -0.379 57.0 7.0 -76.5 152.4 35.1 19.2 199.2 310 313 A E + 0 0 95 1,-0.2 -64,-0.4 -3,-0.1 -36,-0.2 0.851 64.2 162.9 52.0 65.4 38.5 17.4 199.0 311 314 A V - 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0 0 24 -2,-0.6 3,-0.4 -303,-0.1 4,-0.1 -0.691 6.6-152.7 -91.2 134.5 32.1 17.2 185.7 446 455 A S + 0 0 2 -2,-0.4 3,-0.5 1,-0.2 -1,-0.1 0.238 59.1 112.5 -96.8 7.7 34.0 18.6 182.6 447 456 A E S S+ 0 0 32 1,-0.3 -1,-0.2 -301,-0.0 -245,-0.1 0.906 96.8 25.0 -45.5 -50.4 37.5 17.1 182.9 448 457 A H S S+ 0 0 33 -3,-0.4 2,-1.0 1,-0.1 -1,-0.3 0.468 102.7 87.2 -98.2 -3.0 36.9 15.0 179.9 449 458 A L + 0 0 8 -3,-0.5 -1,-0.1 1,-0.1 6,-0.1 -0.769 47.3 167.5-102.7 100.9 34.2 16.9 178.1 450 459 A D + 0 0 95 -2,-1.0 -1,-0.1 4,-0.0 -302,-0.1 0.278 60.5 38.3 -99.6 3.0 36.2 19.4 176.0 451 460 A S S > S- 0 0 34 -304,-0.1 4,-1.9 1,-0.0 5,-0.1 -0.967 84.4-112.7-141.5 160.5 33.5 20.7 173.7 452 461 A P H > S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.772 118.9 61.1 -60.4 -27.0 29.8 21.5 174.2 453 462 A R H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.945 103.9 47.4 -63.1 -46.8 29.1 18.5 172.0 454 463 A R H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 109.3 53.8 -63.5 -38.5 30.8 16.2 174.5 455 464 A V H X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.900 108.7 49.8 -60.1 -38.6 28.9 17.8 177.3 456 465 A Q H X S+ 0 0 39 -4,-1.8 4,-2.2 2,-0.2 46,-0.3 0.872 108.6 52.2 -67.0 -37.3 25.6 17.0 175.4 457 466 A F H < S+ 0 0 11 -4,-2.0 45,-0.5 44,-0.2 -2,-0.2 0.926 113.6 44.5 -63.8 -44.3 26.7 13.4 174.9 458 467 A A H < S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 4,-0.2 0.931 116.9 44.1 -66.5 -45.7 27.4 13.1 178.6 459 468 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.813 99.3 102.3 -75.0 -31.6 24.2 14.8 179.7 460 469 A F T < S+ 0 0 5 -4,-2.2 42,-1.9 1,-0.2 -1,-0.0 -0.890 81.4 2.0-122.6 151.0 21.7 13.1 177.4 461 470 A P T >> S+ 0 0 4 0, 0.0 3,-1.9 0, 0.0 4,-1.2 -0.997 126.5 60.4 -72.4 -14.8 19.6 11.0 177.2 462 471 A R H 3> S+ 0 0 1 1,-0.3 4,-2.6 -4,-0.2 3,-0.3 0.864 98.6 57.0 -48.3 -45.4 20.2 10.4 180.9 463 472 A L H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.3 0.731 102.3 57.8 -60.8 -22.4 19.2 13.9 182.0 464 473 A S H <> S+ 0 0 0 -3,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.919 109.0 43.3 -72.2 -44.3 15.8 13.3 180.3 465 474 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 3,-0.3 0.904 114.2 52.0 -65.0 -42.6 15.1 10.3 182.5 466 475 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.894 102.2 58.7 -58.8 -42.7 16.4 12.2 185.5 467 476 A S H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.850 107.8 48.1 -59.4 -31.6 14.1 15.2 184.8 468 477 A E H X S+ 0 0 4 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.909 107.2 53.8 -73.3 -44.5 11.2 12.7 185.1 469 478 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 115.4 42.1 -54.5 -40.5 12.5 11.3 188.3 470 479 A F H < S+ 0 0 0 -4,-2.4 -335,-2.1 -5,-0.1 -336,-0.4 0.829 127.1 28.6 -76.2 -41.3 12.6 14.8 189.7 471 480 A W H < S+ 0 0 0 -4,-2.0 -337,-1.4 -5,-0.2 -3,-0.2 0.909 105.8 68.0 -82.6 -50.3 9.3 16.1 188.3 472 481 A S S < S- 0 0 4 -4,-2.3 -460,-0.1 -5,-0.2 -338,-0.1 0.132 87.8 -80.9 -81.5-177.0 6.9 13.2 187.9 473 482 A N > - 0 0 55 -463,-0.3 3,-0.9 -462,-0.2 -1,-0.1 -0.720 29.4-147.8 -83.3 122.0 4.9 10.8 190.1 474 483 A P G > S+ 0 0 46 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.662 90.8 69.9 -65.1 -17.8 7.0 7.9 191.4 475 484 A A G 3 S+ 0 0 85 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.874 94.7 51.7 -68.4 -38.9 4.0 5.6 191.3 476 485 A G G < S+ 0 0 59 -3,-0.9 2,-0.6 -464,-0.0 -1,-0.2 0.092 81.3 136.4 -88.5 24.8 3.7 5.4 187.6 477 486 A R < + 0 0 47 -3,-0.9 2,-0.3 4,-0.0 -54,-0.0 -0.656 12.3 146.3 -89.7 115.4 7.3 4.4 187.0 478 487 A D > - 0 0 79 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.960 35.3-150.8-140.6 126.9 8.2 1.7 184.5 479 488 A Y H > S+ 0 0 31 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.902 95.9 53.1 -64.5 -43.8 11.4 1.8 182.4 480 489 A D H > S+ 0 0 108 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.865 111.1 47.7 -61.9 -37.6 10.1 -0.1 179.4 481 490 A E H > S+ 0 0 70 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.933 109.2 53.8 -66.9 -47.1 7.1 2.3 179.1 482 491 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.2 0.863 103.0 58.5 -52.4 -42.6 9.5 5.3 179.5 483 492 A L H X S+ 0 0 41 -4,-2.2 4,-3.3 1,-0.2 5,-0.5 0.891 100.5 54.7 -57.4 -45.3 11.6 4.0 176.5 484 493 A T H X S+ 0 0 71 -4,-1.2 4,-1.6 -3,-0.4 -1,-0.2 0.847 111.6 44.8 -61.8 -35.6 8.7 4.0 174.1 485 494 A R H X>S+ 0 0 2 -4,-1.3 4,-2.3 -3,-0.2 5,-1.8 0.901 114.5 50.1 -71.6 -38.7 8.1 7.7 175.0 486 495 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 3,-0.2 6,-0.3 0.977 122.1 30.4 -62.4 -57.8 11.8 8.5 174.7 487 496 A T H <5S+ 0 0 75 -4,-3.3 -3,-0.2 1,-0.2 -1,-0.2 0.880 120.1 55.6 -70.3 -39.1 12.3 6.8 171.3 488 497 A G H <5S- 0 0 46 -4,-1.6 -2,-0.2 -5,-0.5 -1,-0.2 0.885 134.9 -18.1 -61.1 -45.0 8.8 7.5 170.1 489 498 A A T >X5S+ 0 0 16 -4,-2.3 3,-1.2 -483,-0.2 4,-1.0 0.673 121.3 64.2-128.2 -59.1 8.8 11.3 170.6 490 499 A H H 3> S+ 0 0 39 -3,-1.2 4,-1.8 -6,-0.3 -1,-0.2 0.836 106.8 51.6 -68.0 -32.9 13.1 14.0 168.1 493 502 A R H X S+ 0 0 9 -4,-1.0 4,-1.3 -3,-0.3 -2,-0.2 0.898 108.9 49.6 -68.7 -43.1 12.6 17.0 170.5 494 503 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.2 0.893 110.4 51.2 -60.9 -40.7 16.3 16.8 171.6 495 504 A E H ><5S+ 0 0 107 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.917 107.5 53.2 -61.6 -41.0 17.3 16.7 167.9 496 505 A A H 3<5S+ 0 0 9 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.2 51.7 -66.3 -26.9 15.1 19.8 167.3 497 506 A X T 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.328 120.1-106.4 -92.8 5.3 16.9 21.7 170.1 498 507 A G T < 5 + 0 0 49 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.706 68.5 148.8 81.8 22.2 20.4 20.9 168.7 499 508 A V < - 0 0 5 -5,-2.7 2,-1.0 -6,-0.2 -1,-0.2 -0.793 35.4-157.4 -97.5 116.7 21.3 18.3 171.3 500 509 A E + 0 0 64 -2,-0.7 -40,-0.2 -47,-0.1 2,-0.1 -0.784 26.5 178.6 -92.3 107.0 23.6 15.6 170.2 501 510 A Y - 0 0 32 -2,-1.0 -44,-0.2 -10,-0.1 -43,-0.1 -0.272 39.5 -83.5 -98.5 177.1 23.0 12.8 172.7 502 511 A R - 0 0 33 -42,-1.9 -1,-0.1 -45,-0.5 -40,-0.0 -0.766 50.3-124.5 -79.5 120.2 24.3 9.3 173.1 503 512 A P > - 0 0 37 0, 0.0 3,-2.2 0, 0.0 -1,-0.0 -0.365 20.4-115.8 -62.2 149.0 22.2 7.1 170.8 504 513 A L T 3 S+ 0 0 65 1,-0.3 -86,-0.1 -43,-0.0 -2,-0.0 0.811 115.4 53.6 -57.5 -31.7 20.6 4.2 172.6 505 514 A S T 3 S- 0 0 126 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.391 125.1 -85.9 -85.5 4.9 22.6 1.6 170.7 506 515 A G < - 0 0 12 -3,-2.2 -1,-0.3 -104,-0.0 -98,-0.1 -0.473 67.0 -24.4 112.1 168.9 25.8 3.3 171.6 507 516 A P - 0 0 14 0, 0.0 -5,-0.1 0, 0.0 5,-0.1 -0.228 58.7-118.2 -57.4 137.4 28.2 6.1 170.5 508 517 A A >> - 0 0 14 1,-0.1 3,-2.4 3,-0.0 4,-0.7 -0.448 36.0-105.9 -65.7 148.8 28.3 7.4 166.9 509 518 A P G >4 S+ 0 0 102 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.800 122.2 52.6 -50.8 -35.2 31.7 6.8 165.3 510 519 A W G 34 S+ 0 0 154 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.580 103.6 59.4 -78.9 -10.5 32.5 10.6 165.5 511 520 A Q G <4 S+ 0 0 19 -3,-2.4 -1,-0.2 -54,-0.0 2,-0.1 0.554 88.1 95.6 -88.4 -12.9 31.6 10.5 169.2 512 521 A Q << - 0 0 62 -3,-0.7 -104,-0.1 -4,-0.7 -105,-0.1 -0.387 54.0-165.3 -77.5 156.6 34.2 7.9 170.0 513 522 A R > - 0 0 88 -106,-0.1 3,-1.0 3,-0.1 -103,-0.6 -0.564 13.9-171.1-141.7 75.3 37.7 8.8 171.3 514 523 A P T 3 + 0 0 114 0, 0.0 3,-0.1 0, 0.0 -107,-0.0 -0.313 67.8 31.1 -67.9 151.4 40.0 5.7 171.0 515 524 A G T 3 S+ 0 0 86 1,-0.2 2,-0.7 -2,-0.0 0, 0.0 0.408 88.0 118.2 83.6 -1.5 43.5 5.7 172.6 516 525 A V < - 0 0 32 -3,-1.0 -106,-0.3 -314,-0.0 2,-0.2 -0.885 62.1-135.5-107.0 111.5 42.4 8.0 175.4 517 526 A E - 0 0 126 -2,-0.7 -314,-2.8 -316,-0.3 -311,-0.2 -0.442 24.7-179.0 -73.6 129.0 42.8 6.3 178.7 518 527 A G - 0 0 16 -316,-0.2 2,-0.3 -2,-0.2 -106,-0.3 -0.270 29.1-113.5-103.0-166.2 40.0 6.5 181.3 519 528 A W E -t 412 0G 134 -108,-1.2 -106,-1.4 -109,-0.1 2,-0.5 -0.880 26.7-149.5-134.6 112.7 39.7 5.1 184.8 520 529 A K E -t 413 0G 92 -2,-0.3 2,-0.3 -108,-0.2 -106,-0.2 -0.648 13.6-167.8 -92.9 121.8 37.1 2.4 185.3 521 530 A R - 0 0 64 -108,-2.1 2,-0.4 -2,-0.5 -106,-0.4 -0.752 11.6-158.2-108.9 150.1 35.4 2.1 188.7 522 531 A D > - 0 0 86 -2,-0.3 4,-1.3 -108,-0.1 -108,-0.1 -0.974 8.8-153.1-127.0 116.2 33.2 -0.7 190.1 523 532 A Y H > S+ 0 0 79 -2,-0.4 4,-0.5 1,-0.2 -1,-0.1 0.829 93.4 48.5 -60.7 -37.7 30.9 0.3 193.0 524 533 A D H >> S+ 0 0 106 1,-0.2 3,-1.4 2,-0.2 4,-1.3 0.934 106.9 55.2 -71.1 -44.7 30.7 -3.2 194.6 525 534 A A H 34 S+ 0 0 57 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.798 105.0 55.0 -55.2 -31.7 34.4 -3.8 194.5 526 535 A E H 3< S+ 0 0 93 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.631 101.4 58.0 -82.5 -15.0 35.0 -0.5 196.5 527 536 A Q H << 0 0 120 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.910 360.0 360.0 -77.4 -47.5 32.7 -1.5 199.3 528 537 A L < 0 0 182 -4,-1.3 -1,-0.2 0, 0.0 -2,-0.1 -0.142 360.0 360.0 -93.9 360.0 34.5 -4.7 200.3