==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-AUG-06 2I33 . COMPND 2 MOLECULE: ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR R.L.FELTS,J.J.TANNER . 474 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 4 0.8 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 . 33 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 0 0 2 2 0 2 10 2 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 2 0 2 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 . 0 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 2 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 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 14 A V 0 0 119 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 136.3 40.8 31.6 40.1 2 15 A K >> - 0 0 52 1,-0.2 3,-1.4 70,-0.0 4,-0.7 -0.864 360.0-172.3-109.1 95.1 41.8 35.3 39.9 3 16 A L G >4 S+ 0 0 14 -2,-0.7 3,-1.2 1,-0.3 4,-0.4 0.836 80.0 65.6 -54.3 -38.2 40.1 36.6 36.7 4 17 A T G >4 S+ 0 0 5 1,-0.3 3,-1.3 67,-0.3 -1,-0.3 0.801 91.8 61.4 -62.8 -25.5 41.9 39.9 37.0 5 18 A D G X4 S+ 0 0 62 -3,-1.4 3,-1.5 1,-0.3 4,-0.3 0.832 94.1 64.3 -67.9 -30.4 45.3 38.2 36.5 6 19 A Q G << S+ 0 0 6 -3,-1.2 242,-2.3 -4,-0.7 243,-0.5 0.665 98.7 55.7 -66.2 -14.8 44.0 37.2 33.0 7 20 A Q G <> S+ 0 0 16 -3,-1.3 4,-2.8 -4,-0.4 5,-0.3 0.492 80.0 98.3 -85.5 -14.9 43.8 40.9 32.1 8 21 A L H <> S+ 0 0 0 -3,-1.5 4,-2.9 -4,-0.3 5,-0.2 0.897 82.6 41.0 -56.6 -51.9 47.4 41.6 32.9 9 22 A M H > S+ 0 0 1 236,-2.4 4,-2.9 -4,-0.3 5,-0.3 0.913 115.7 51.2 -63.5 -42.8 49.0 41.5 29.4 10 23 A A H > S+ 0 0 0 235,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.933 114.9 43.9 -56.4 -45.1 46.1 43.3 27.8 11 24 A D H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.905 112.7 51.3 -67.3 -41.7 46.4 46.1 30.4 12 25 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.3 5,-0.5 0.911 111.1 48.2 -65.4 -42.8 50.1 46.2 30.2 13 26 A W H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 7,-0.3 0.940 112.9 48.2 -58.2 -49.9 50.0 46.5 26.4 14 27 A Y H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.913 118.0 40.7 -62.9 -39.5 47.4 49.2 26.6 15 28 A Q H < S+ 0 0 29 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.761 132.2 16.5 -79.1 -29.0 49.4 51.2 29.3 16 29 A T H < S+ 0 0 13 -4,-2.1 2,-0.4 -5,-0.2 -3,-0.2 0.640 89.3 109.2-120.5 -25.0 52.9 50.8 28.0 17 30 A A >X - 0 0 0 -4,-2.3 4,-1.6 -5,-0.5 3,-0.6 -0.464 50.0-155.3 -72.1 126.4 53.0 49.7 24.4 18 31 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.833 97.4 64.9 -58.5 -34.1 54.1 52.3 21.8 19 32 A E H 3> S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 98.7 52.4 -54.5 -41.6 52.1 50.2 19.3 20 33 A M H <> S+ 0 0 2 -3,-0.6 4,-1.8 -7,-0.3 -1,-0.2 0.955 110.1 47.3 -59.7 -49.8 49.0 51.1 21.2 21 34 A K H X S+ 0 0 46 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.920 110.4 52.9 -58.6 -42.2 49.9 54.8 21.0 22 35 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.854 105.9 53.4 -62.3 -37.3 50.6 54.4 17.3 23 36 A L H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.869 108.6 50.2 -66.6 -36.1 47.2 52.8 16.7 24 37 A Y H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.943 112.7 45.9 -66.6 -45.4 45.6 55.9 18.4 25 38 A Y H X S+ 0 0 25 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.915 112.3 51.8 -61.9 -40.9 47.6 58.2 16.2 26 39 A Q H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.940 111.1 47.5 -61.3 -43.7 46.7 56.1 13.1 27 40 A G H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.957 116.0 43.0 -62.0 -49.9 43.1 56.3 14.0 28 41 A Y H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.876 113.8 51.4 -69.5 -33.6 43.1 60.0 14.6 29 42 A N H X S+ 0 0 52 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.918 112.8 45.3 -63.9 -43.8 45.2 60.7 11.6 30 43 A T H X S+ 0 0 3 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.911 111.2 54.0 -66.7 -41.7 42.8 58.7 9.4 31 44 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.911 107.7 50.1 -58.7 -41.6 39.9 60.4 11.1 32 45 A Q H X S+ 0 0 57 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.936 110.6 49.2 -63.2 -43.1 41.4 63.8 10.2 33 46 A L H X S+ 0 0 63 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.931 114.2 45.5 -59.5 -46.2 41.9 62.8 6.5 34 47 A K H X S+ 0 0 26 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.840 108.8 56.5 -71.7 -30.6 38.3 61.5 6.3 35 48 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.964 109.0 46.3 -62.2 -49.6 37.0 64.6 8.1 36 49 A D H X S+ 0 0 57 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 112.2 51.1 -57.6 -41.9 38.6 66.8 5.4 37 50 A A H X S+ 0 0 55 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.901 110.8 48.7 -61.2 -44.5 37.2 64.5 2.7 38 51 A A H X S+ 0 0 21 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.882 110.9 49.3 -64.9 -41.9 33.8 64.7 4.1 39 52 A L H < S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 111.6 49.4 -65.3 -39.2 33.9 68.5 4.4 40 53 A A H < S+ 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.844 110.2 50.6 -68.3 -33.5 35.0 68.8 0.8 41 54 A K H < S- 0 0 110 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.908 110.2-140.9 -66.0 -40.3 32.2 66.4 -0.3 42 55 A G < - 0 0 40 -4,-2.2 2,-0.3 -5,-0.1 -2,-0.1 -0.153 8.7-120.4 94.7 163.5 29.8 68.7 1.6 43 56 A T - 0 0 57 -4,-0.1 3,-0.1 1,-0.1 119,-0.0 -0.890 9.8-132.5-135.5 163.7 26.8 67.7 3.8 44 57 A E S S+ 0 0 81 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.884 96.1 32.7 -80.9 -45.4 23.1 68.4 3.8 45 58 A K S S- 0 0 90 1,-0.1 115,-0.2 -3,-0.1 114,-0.2 -0.606 110.7 -67.7-107.2 169.7 23.2 69.3 7.5 46 59 A K E -a 159 0A 99 112,-0.6 114,-2.2 -2,-0.2 -1,-0.1 -0.256 64.4-110.7 -51.0 128.4 25.7 70.9 9.8 47 60 A P E +a 160 0A 19 0, 0.0 59,-1.7 0, 0.0 2,-0.3 -0.425 42.6 174.0 -69.4 146.7 28.6 68.4 10.1 48 61 A A E -ab 161 106A 0 112,-2.1 114,-2.9 57,-0.2 115,-0.6 -0.958 19.7-151.0-138.2 160.9 29.3 66.5 13.3 49 62 A I E -ab 163 107A 0 57,-2.1 59,-2.4 -2,-0.3 2,-0.4 -0.936 12.2-148.3-124.5 156.0 31.5 63.8 14.6 50 63 A V E -ab 164 108A 5 113,-2.0 115,-2.1 -2,-0.3 2,-0.4 -0.985 15.2-178.0-124.1 133.7 30.8 61.4 17.4 51 64 A L E -ab 165 109A 0 57,-2.5 59,-1.7 -2,-0.4 115,-0.2 -0.996 24.1-133.5-131.5 141.5 33.3 59.9 19.8 52 65 A D - 0 0 12 113,-2.2 59,-0.2 -2,-0.4 3,-0.1 -0.401 20.9-147.8 -68.9 165.5 33.1 57.5 22.6 53 66 A L S >>>S+ 0 0 0 57,-0.2 4,-2.8 3,-0.2 5,-2.6 0.859 70.1 69.2-102.6 -64.3 35.0 58.7 25.7 54 67 A D B 345S-f 58 0B 17 1,-0.3 113,-0.3 2,-0.2 5,-0.2 -0.392 122.1 -2.9 -72.0 124.6 36.5 55.8 27.6 55 68 A E T 345S+ 0 0 0 3,-3.3 -1,-0.3 -2,-0.3 4,-0.1 0.601 133.5 62.8 67.8 17.0 39.3 54.2 25.7 56 69 A T T <45S- 0 0 0 -3,-2.0 -2,-0.2 2,-0.3 -3,-0.2 0.582 128.3 -4.7-125.4 -51.9 38.7 56.5 22.8 57 70 A V T <5S+ 0 0 0 -4,-2.8 33,-2.7 1,-0.2 2,-0.4 0.723 131.2 51.2-108.2 -45.2 39.4 60.0 24.2 58 71 A L E > + 0 0 0 -2,-0.7 3,-1.8 1,-0.2 4,-1.2 0.227 41.9 115.6-102.0 14.7 41.1 54.6 32.1 61 74 A S H 3> + 0 0 1 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.823 64.4 68.1 -60.2 -28.9 43.8 52.1 32.2 62 75 A P H 3> S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 413,-0.5 0.841 100.4 51.7 -57.6 -28.5 44.9 53.1 35.7 63 76 A H H <> S+ 0 0 0 -3,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.915 108.3 48.6 -70.0 -42.1 41.6 51.8 36.9 64 77 A Q H X S+ 0 0 6 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.914 110.0 53.2 -63.7 -39.3 42.2 48.4 35.1 65 78 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 408,-0.3 409,-0.2 0.903 105.5 54.4 -58.3 -43.2 45.7 48.4 36.7 66 79 A M H X S+ 0 0 10 -4,-1.8 4,-2.5 -5,-0.2 6,-0.3 0.906 105.7 53.2 -57.4 -41.8 44.1 48.9 40.1 67 80 A S H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 5,-0.4 0.903 108.2 49.4 -63.7 -41.3 41.9 45.9 39.4 68 81 A V H < S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.931 114.3 45.8 -58.6 -45.2 44.9 43.8 38.7 69 82 A K H < S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.867 122.1 34.3 -69.0 -35.5 46.6 44.9 41.9 70 83 A T H < S- 0 0 58 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.614 99.3-128.8 -93.9 -17.6 43.6 44.5 44.2 71 84 A G S < S+ 0 0 44 -4,-1.7 2,-0.6 -5,-0.3 -67,-0.3 0.587 73.1 119.2 74.5 11.8 42.2 41.4 42.5 72 85 A K - 0 0 109 -5,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 -0.931 53.5-148.2-116.9 110.9 38.8 43.2 42.3 73 86 A G > - 0 0 29 -2,-0.6 3,-2.3 1,-0.2 -9,-0.1 -0.169 36.2 -30.9 -75.7 168.9 37.5 43.8 38.8 74 87 A Y T 3 S+ 0 0 142 1,-0.3 -1,-0.2 3,-0.1 3,-0.1 -0.246 119.5 31.7 -50.4 139.8 35.4 46.4 37.3 75 88 A P T >> S+ 0 0 85 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.887 86.4 115.5 -96.7 26.1 33.3 48.1 38.5 76 89 A Y T <4 S- 0 0 90 -3,-2.3 -4,-0.1 1,-0.3 -9,-0.0 -0.378 102.2 -9.3 -54.6 123.1 35.0 48.0 41.9 77 90 A K T 3> S+ 0 0 99 1,-0.1 4,-2.3 -3,-0.1 -1,-0.3 0.613 96.7 129.3 57.6 20.7 36.0 51.7 42.6 78 91 A W H <> S+ 0 0 19 -3,-2.5 4,-3.0 2,-0.2 5,-0.2 0.953 74.1 47.3 -66.3 -46.3 35.1 52.7 39.1 79 92 A D H X S+ 0 0 63 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.895 109.6 54.3 -62.2 -38.3 32.9 55.6 40.4 80 93 A D H > S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.937 110.5 47.3 -56.6 -47.8 35.8 56.6 42.7 81 94 A W H >X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 3,-0.7 0.940 111.2 49.6 -58.5 -51.7 38.0 56.7 39.6 82 95 A I H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.919 108.1 54.8 -56.3 -43.3 35.5 58.7 37.5 83 96 A N H 3< S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.774 96.8 63.1 -63.0 -29.0 35.2 61.2 40.3 84 97 A K H << S- 0 0 80 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.793 89.5-158.0 -66.4 -28.6 38.9 61.8 40.5 85 98 A A << + 0 0 6 -3,-1.0 -3,-0.1 -4,-1.0 42,-0.1 0.879 51.0 122.7 57.3 44.9 38.5 63.1 36.9 86 99 A E + 0 0 54 -5,-0.5 -1,-0.1 2,-0.1 2,-0.1 0.191 22.4 136.5-125.9 15.2 42.1 62.6 36.1 87 100 A A - 0 0 0 -6,-0.1 2,-0.2 -5,-0.1 -27,-0.1 -0.416 52.9-124.9 -62.8 138.2 42.1 60.2 33.1 88 101 A E E -G 59 0B 140 -29,-0.6 -29,-3.0 1,-0.1 2,-0.2 -0.559 24.7-101.9 -79.0 152.6 44.6 61.4 30.5 89 102 A A E -G 58 0B 34 -31,-0.2 -31,-0.2 -2,-0.2 3,-0.1 -0.498 40.3-114.7 -71.4 143.0 43.7 62.1 26.9 90 103 A L >> - 0 0 3 -33,-2.7 3,-1.9 -2,-0.2 4,-0.5 -0.364 48.2 -70.2 -78.6 156.3 44.6 59.4 24.5 91 104 A P T 34 S- 0 0 24 0, 0.0 -63,-0.2 0, 0.0 -1,-0.2 -0.186 114.6 -0.8 -55.6 128.4 47.2 59.9 21.8 92 105 A G T 3> S+ 0 0 18 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 0.200 101.2 108.4 85.9 -15.5 46.1 62.3 19.0 93 106 A S H <> S+ 0 0 0 -3,-1.9 4,-2.9 1,-0.2 5,-0.2 0.948 75.6 44.5 -65.9 -50.2 42.7 62.9 20.4 94 107 A I H X S+ 0 0 33 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.936 114.7 48.2 -63.9 -43.6 43.0 66.4 21.7 95 108 A D H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 113.3 48.7 -65.2 -37.2 44.7 67.8 18.5 96 109 A F H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.928 112.5 47.9 -67.1 -42.0 42.2 66.1 16.3 97 110 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.913 111.2 49.7 -67.2 -39.7 39.4 67.5 18.4 98 111 A K H X S+ 0 0 99 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.873 111.8 50.2 -63.8 -36.0 40.8 71.0 18.3 99 112 A Y H X S+ 0 0 53 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.948 109.5 50.1 -63.0 -48.8 41.2 70.6 14.5 100 113 A T H ><>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 3,-0.9 0.928 111.0 49.5 -53.6 -48.3 37.7 69.5 14.2 101 114 A E H ><5S+ 0 0 70 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.865 105.8 57.3 -60.1 -37.2 36.6 72.5 16.3 102 115 A S H 3<5S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.740 103.2 54.5 -67.1 -23.9 38.7 74.8 14.1 103 116 A K T <<5S- 0 0 103 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.399 119.2-110.7 -89.6 1.0 36.7 73.6 11.0 104 117 A G T < 5 + 0 0 47 -3,-1.5 2,-0.5 1,-0.3 -3,-0.2 0.646 69.3 146.5 79.6 16.7 33.4 74.6 12.7 105 118 A V < - 0 0 0 -5,-2.0 -1,-0.3 -6,-0.2 -57,-0.2 -0.737 47.5-124.7 -91.3 129.8 32.4 70.9 13.1 106 119 A D E -b 48 0A 27 -59,-1.7 -57,-2.1 -2,-0.5 2,-0.4 -0.445 20.1-146.9 -72.4 143.0 30.4 70.0 16.1 107 120 A I E -b 49 0A 0 -59,-0.2 2,-0.5 -2,-0.2 -57,-0.2 -0.938 10.2-167.9-113.1 131.8 31.7 67.3 18.4 108 121 A Y E -b 50 0A 23 -59,-2.4 -57,-2.5 -2,-0.4 2,-0.9 -0.988 9.5-156.2-120.3 122.1 29.4 64.9 20.3 109 122 A Y E -bc 51 138A 0 28,-3.0 30,-2.7 -2,-0.5 2,-0.7 -0.866 13.6-173.2 -93.8 102.7 30.9 62.7 23.0 110 123 A I E + c 0 139A 1 -59,-1.7 2,-0.3 -2,-0.9 30,-0.2 -0.885 19.5 161.5-103.1 111.0 28.5 59.8 23.3 111 124 A S E - 0 0 0 28,-1.5 30,-0.4 -2,-0.7 -59,-0.1 -0.938 48.5-132.0-136.4 144.5 29.6 57.7 26.2 112 125 A N E + 0 0 61 -2,-0.3 28,-0.1 28,-0.2 3,-0.1 0.283 67.0 123.2 -89.2 16.0 28.1 55.1 28.5 113 126 A R E S- 0 0 4 1,-0.1 28,-2.8 26,-0.1 2,-0.2 -0.376 77.3 -94.7 -53.2 151.5 29.3 56.9 31.6 114 127 A K E > - c 0 141A 81 26,-0.2 3,-2.6 1,-0.1 28,-0.2 -0.468 23.8-118.2 -77.5 147.3 26.2 57.5 33.7 115 128 A T G > S+ 0 0 56 26,-1.7 3,-1.5 1,-0.3 4,-0.2 0.816 115.1 62.8 -54.9 -28.4 24.4 60.8 33.4 116 129 A N G 3 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.486 95.8 60.8 -78.4 1.2 25.2 61.4 37.1 117 130 A Q G <> S+ 0 0 6 -3,-2.6 4,-2.2 1,-0.1 -1,-0.3 0.196 72.9 104.9-105.2 13.2 28.8 61.4 36.2 118 131 A L H <> S+ 0 0 38 -3,-1.5 4,-3.4 2,-0.2 5,-0.3 0.934 77.4 50.0 -60.1 -46.7 28.4 64.4 33.9 119 132 A D H > S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 114.3 44.4 -59.6 -45.2 30.0 66.9 36.3 120 133 A A H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.853 113.9 51.6 -65.9 -35.9 33.1 64.6 36.8 121 134 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.939 109.8 47.4 -69.8 -45.5 33.2 64.0 33.1 122 135 A I H X S+ 0 0 30 -4,-3.4 4,-3.1 2,-0.2 5,-0.3 0.937 111.1 53.8 -56.9 -44.6 33.1 67.7 32.2 123 136 A K H X S+ 0 0 63 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.923 111.1 44.5 -56.5 -47.3 35.8 68.2 34.9 124 137 A N H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.900 113.6 50.0 -67.0 -40.1 38.0 65.5 33.2 125 138 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.8 0.905 111.5 48.3 -68.7 -37.5 37.4 66.9 29.7 126 139 A E H ><5S+ 0 0 129 -4,-3.1 3,-0.7 -5,-0.2 -1,-0.2 0.910 108.6 55.4 -63.5 -41.9 38.2 70.4 30.8 127 140 A R H 3<5S+ 0 0 167 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.881 112.7 41.1 -59.3 -37.9 41.4 69.1 32.5 128 141 A V H 3<5S- 0 0 29 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.523 114.8-115.5 -91.2 -6.8 42.6 67.5 29.2 129 142 A G T <<5 + 0 0 38 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.742 51.9 166.7 80.4 26.8 41.5 70.5 27.1 130 143 A A < - 0 0 8 -5,-2.5 3,-0.5 -6,-0.2 -1,-0.2 -0.534 35.0-120.3 -72.2 133.5 38.8 68.7 25.1 131 144 A P S S+ 0 0 7 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.305 88.3 23.3 -71.0 162.2 36.6 71.2 23.2 132 145 A Q S S+ 0 0 36 1,-0.2 2,-1.8 -24,-0.0 5,-0.1 0.876 70.9 170.2 53.8 43.8 32.9 71.5 23.6 133 146 A A + 0 0 12 -3,-0.5 2,-0.3 4,-0.1 -1,-0.2 -0.463 35.0 116.3 -85.9 65.5 33.1 70.0 27.2 134 147 A T S >> S- 0 0 56 -2,-1.8 4,-2.0 -3,-0.1 3,-1.8 -0.890 82.7-104.8-133.0 161.9 29.5 70.9 28.0 135 148 A K T 34 S+ 0 0 47 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.826 118.6 61.9 -55.1 -30.7 26.2 69.1 28.8 136 149 A E T 34 S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.1 -3,-0.1 0.764 116.1 29.6 -68.1 -25.1 25.1 70.0 25.2 137 150 A H T <4 S+ 0 0 28 -3,-1.8 -28,-3.0 -5,-0.1 2,-0.7 0.596 105.1 76.3-112.6 -13.4 27.9 67.9 23.7 138 151 A I E < -c 109 0A 5 -4,-2.0 2,-0.9 -30,-0.2 -28,-0.2 -0.891 61.5-172.5-105.2 105.1 28.5 65.2 26.3 139 152 A L E -c 110 0A 38 -30,-2.7 -28,-1.5 -2,-0.7 2,-0.1 -0.842 10.1-175.4-107.6 95.8 25.7 62.7 25.8 140 153 A L E - 0 0 9 -2,-0.9 2,-0.4 -30,-0.2 -28,-0.2 -0.331 31.0 -85.1 -91.2 172.8 25.9 60.2 28.6 141 154 A Q E -c 114 0A 41 -28,-2.8 -26,-1.7 -30,-0.4 -1,-0.1 -0.639 34.0-138.7 -88.2 126.9 23.8 57.0 29.3 142 155 A D > - 0 0 76 -2,-0.4 3,-1.6 -28,-0.2 2,-0.1 -0.431 39.0 -89.5 -70.1 151.7 20.5 57.2 31.1 143 156 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.482 118.4 16.0 -59.4 132.5 19.7 54.5 33.6 144 157 A K T 3 S+ 0 0 112 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.203 91.9 135.7 83.6 -14.8 18.0 51.7 31.6 145 158 A E < - 0 0 28 -3,-1.6 2,-0.6 1,-0.1 -1,-0.3 -0.513 48.6-142.9 -64.5 128.8 19.1 53.1 28.2 146 159 A K - 0 0 70 -2,-0.3 4,-0.3 -3,-0.1 3,-0.3 -0.847 55.0 -39.5 -95.1 117.6 20.4 50.2 26.0 147 160 A G S S- 0 0 18 -2,-0.6 4,-0.1 1,-0.2 24,-0.1 -0.160 79.2 -76.2 68.8-159.5 23.4 51.2 23.9 148 161 A K S >> S+ 0 0 6 22,-0.4 4,-2.3 24,-0.1 3,-0.6 0.364 92.0 105.6-122.6 -3.3 23.9 54.5 22.1 149 162 A E H 3> S+ 0 0 82 -3,-0.3 4,-2.9 1,-0.3 5,-0.2 0.850 79.8 58.0 -55.9 -36.3 21.7 54.4 19.1 150 163 A K H 3> S+ 0 0 146 -4,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.907 109.8 42.5 -60.0 -43.8 19.2 56.8 20.8 151 164 A R H <> S+ 0 0 16 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.882 114.1 51.6 -70.6 -38.9 21.9 59.5 21.2 152 165 A R H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.932 110.2 49.2 -60.4 -46.0 23.3 58.9 17.7 153 166 A E H X S+ 0 0 89 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.2 0.902 109.3 52.9 -63.7 -40.1 19.9 59.2 16.2 154 167 A L H >X S+ 0 0 44 -4,-1.9 4,-0.6 1,-0.2 3,-0.6 0.914 111.9 45.1 -59.1 -46.4 19.3 62.5 18.2 155 168 A V H >X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 3,-1.5 0.913 107.9 57.1 -62.9 -43.6 22.6 63.9 16.8 156 169 A S H 3< S+ 0 0 47 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.679 94.5 70.2 -64.9 -16.9 21.8 62.8 13.3 157 170 A Q H << S+ 0 0 114 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.888 117.7 17.2 -63.3 -37.4 18.6 64.8 13.6 158 171 A T H << S+ 0 0 84 -3,-1.5 -112,-0.6 -4,-0.6 2,-0.3 0.574 128.3 43.8-112.9 -16.6 20.5 68.1 13.5 159 172 A H E < S-a 46 0A 13 -4,-2.3 2,-0.8 -114,-0.2 -113,-0.1 -0.914 71.1-126.2-131.6 153.9 23.8 67.0 12.1 160 173 A D E -a 47 0A 49 -114,-2.2 -112,-2.1 -2,-0.3 2,-0.7 -0.919 33.6-142.8 -95.6 110.0 25.2 64.8 9.4 161 174 A I E +a 48 0A 29 -2,-0.8 -112,-0.2 -114,-0.2 3,-0.1 -0.656 23.2 179.4 -78.6 114.5 27.5 62.7 11.4 162 175 A V E + 0 0 24 -114,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.676 62.3 18.8 -92.8 -16.5 30.5 62.2 9.1 163 176 A L E -a 49 0A 1 -115,-0.6 -113,-2.0 2,-0.0 2,-0.4 -0.989 55.8-157.2-152.5 145.9 32.6 60.1 11.4 164 177 A F E -ad 50 198A 18 33,-2.5 35,-3.2 -2,-0.3 2,-0.4 -0.984 12.1-162.6-121.1 139.1 32.3 57.9 14.5 165 178 A F E +ad 51 199A 0 -115,-2.1 -113,-2.2 -2,-0.4 2,-0.3 -0.973 27.3 127.8-120.5 132.5 35.2 57.1 16.8 166 179 A G E - 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0 0 69 -3,-0.5 -1,-0.2 1,-0.1 37,-0.1 -0.552 46.8-105.5 -87.2 153.2 64.5 51.3 22.3 418 192 B S > - 0 0 52 -2,-0.2 4,-3.1 1,-0.1 5,-0.4 -0.157 37.5-102.2 -61.8 166.4 63.4 51.5 25.9 419 193 B V H > S+ 0 0 30 32,-0.4 4,-2.4 1,-0.2 5,-0.2 0.967 125.8 48.5 -56.7 -50.9 59.7 51.7 26.6 420 194 B K H > S+ 0 0 164 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 116.3 41.7 -54.0 -50.2 60.2 55.4 27.3 421 195 B D H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 114.1 48.7 -72.8 -38.6 62.2 56.0 24.1 422 196 B R H X S+ 0 0 1 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.906 113.0 50.2 -69.1 -35.8 60.1 53.9 21.7 423 197 B N H X S+ 0 0 21 -4,-2.4 4,-1.9 -5,-0.4 -2,-0.2 0.934 111.0 47.6 -67.5 -39.3 57.0 55.6 23.0 424 198 B Q H X S+ 0 0 94 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.884 108.4 57.1 -65.3 -35.3 58.5 59.0 22.5 425 199 B A H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.851 104.0 52.5 -61.4 -38.0 59.6 57.8 19.0 426 200 B V H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.963 110.5 47.3 -62.4 -49.3 55.9 57.1 18.3 427 201 B T H >< S+ 0 0 46 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.940 112.0 50.1 -55.1 -45.8 55.0 60.6 19.3 428 202 B D H 3< S+ 0 0 115 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.863 118.8 38.1 -61.8 -38.0 57.8 62.0 17.2 429 203 B S T >X S+ 0 0 39 -4,-2.2 3,-2.4 1,-0.2 4,-0.6 0.071 77.8 125.9 -98.2 20.9 56.6 60.0 14.2 430 204 B K G X4 + 0 0 84 -3,-1.7 3,-1.1 1,-0.3 -1,-0.2 0.822 67.0 60.4 -54.3 -35.8 53.0 60.4 14.9 431 205 B A G 34 S+ 0 0 65 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.692 97.4 61.6 -63.4 -20.8 52.3 61.8 11.4 432 206 B Q G X>>S+ 0 0 70 -3,-2.4 5,-2.5 -6,-0.2 4,-2.1 0.719 77.2 98.3 -81.5 -22.7 53.5 58.6 9.8 433 207 B F B <<5S+l 437 0C 0 -3,-1.1 5,-0.2 -4,-0.6 -404,-0.1 -0.552 99.0 9.6 -76.4 123.8 51.0 56.3 11.3 434 208 B G T 345S+ 0 0 2 3,-2.7 -1,-0.3 -2,-0.4 4,-0.2 0.429 129.4 63.7 87.1 2.2 48.2 55.6 8.8 435 209 B E T <45S- 0 0 88 -3,-2.0 -2,-0.2 2,-0.4 -3,-0.1 0.720 128.8 -12.9-119.8 -65.3 50.3 57.4 6.2 436 210 B K T <5S+ 0 0 48 -4,-2.1 -33,-2.4 1,-0.2 2,-0.6 0.640 132.3 56.5-110.2 -30.1 53.5 55.4 5.6 437 211 B F E < -kl 403 433C 8 -5,-2.5 -3,-2.7 -35,-0.2 2,-0.6 -0.949 66.0-166.2-111.4 112.9 53.3 53.0 8.6 438 212 B I E -k 404 0C 0 -35,-3.3 -33,-2.4 -2,-0.6 2,-0.3 -0.903 14.2-162.7-102.2 115.5 50.2 51.0 8.9 439 213 B I E -k 405 0C 0 -2,-0.6 -33,-0.2 -35,-0.2 -144,-0.0 -0.723 7.7-162.1-107.3 148.3 50.0 49.4 12.4 440 214 B F - 0 0 0 -35,-1.6 2,-0.5 -2,-0.3 -417,-0.1 -0.920 28.6-101.1-127.1 151.3 47.9 46.5 13.6 441 215 B P + 0 0 0 0, 0.0 -34,-0.1 0, 0.0 -35,-0.1 -0.627 41.1 161.4 -84.0 127.0 47.0 45.5 17.1 442 216 B N + 0 0 0 -2,-0.5 3,-0.4 -36,-0.3 -423,-0.1 -0.755 6.9 162.7-141.4 89.9 48.8 42.7 18.9 443 217 B P + 0 0 0 0, 0.0 -430,-0.2 0, 0.0 -194,-0.1 0.369 67.0 77.5 -84.1 4.3 48.5 42.7 22.7 444 218 B M S S- 0 0 0 1,-0.3 2,-0.3 -195,-0.2 -194,-0.1 0.843 109.2 -29.6 -81.4 -38.7 49.7 39.1 22.9 445 219 B Y S S+ 0 0 55 -3,-0.4 -1,-0.3 -196,-0.1 2,-0.3 -0.973 74.0 111.4-169.1 166.2 53.4 39.5 22.4 446 220 B G S >> S- 0 0 12 -2,-0.3 4,-2.3 1,-0.1 3,-1.2 -0.898 76.7 -48.6 147.4-174.8 56.0 41.7 20.8 447 221 B D H 3> S+ 0 0 41 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.705 122.4 70.6 -65.0 -20.9 58.8 44.2 21.3 448 222 B W H 3> S+ 0 0 4 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.882 107.6 36.6 -61.7 -34.7 56.4 46.1 23.7 449 223 B E H X> S+ 0 0 15 -3,-1.2 4,-0.9 2,-0.2 3,-0.7 0.897 115.3 54.3 -79.9 -49.2 56.9 43.2 26.1 450 224 B G H ><>S+ 0 0 0 -4,-2.3 5,-3.7 1,-0.2 3,-0.9 0.878 103.4 57.1 -50.2 -42.6 60.5 42.7 25.2 451 225 B A H ><5S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.3 -32,-0.4 0.839 100.2 57.5 -60.8 -35.5 61.3 46.3 25.9 452 226 B L H <<5S+ 0 0 12 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.755 110.3 44.4 -63.8 -28.0 59.9 45.9 29.5 453 227 B Y T X<5S- 0 0 0 -4,-0.9 3,-1.7 -3,-0.9 -1,-0.3 0.147 118.9-111.8 -97.5 15.9 62.6 43.1 29.9 454 228 B D T < 5S- 0 0 131 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.816 70.4 -66.0 51.8 31.0 65.3 45.3 28.3 455 229 B Y T 3 - 0 0 56 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.288 33.2-107.5 -70.2 162.8 62.2 33.3 35.0 461 235 B D H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 123.7 54.6 -55.0 -40.1 58.4 33.4 35.0 462 236 B A H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 108.2 48.7 -62.7 -40.4 58.7 35.0 38.5 463 237 B E H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 112.5 46.6 -64.9 -45.5 61.0 37.7 37.2 464 238 B K H X S+ 0 0 34 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.896 109.0 56.6 -63.3 -40.9 58.7 38.5 34.2 465 239 B D H X S+ 0 0 36 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.901 107.9 47.6 -59.0 -40.3 55.7 38.5 36.6 466 240 B K H X S+ 0 0 130 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.924 112.3 47.8 -69.8 -44.1 57.3 41.2 38.8 467 241 B I H X S+ 0 0 36 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.932 111.0 52.2 -59.8 -46.9 58.3 43.4 35.9 468 242 B R H >< S+ 0 0 13 -4,-2.8 3,-0.5 1,-0.2 4,-0.3 0.946 112.8 43.8 -58.1 -48.4 54.8 43.2 34.4 469 243 B H H >< S+ 0 0 50 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.894 110.6 55.1 -65.5 -39.4 53.2 44.2 37.7 470 244 B D H 3< S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.757 104.3 55.3 -67.4 -23.9 55.6 47.0 38.4 471 245 B N T << S+ 0 0 65 -4,-1.6 2,-0.4 -3,-0.5 -1,-0.3 0.404 83.9 98.2 -93.8 1.9 54.9 48.6 35.0 472 246 B L < - 0 0 6 -3,-1.3 2,-0.7 -4,-0.3 -460,-0.1 -0.718 68.1-145.7 -81.2 139.7 51.1 48.8 35.5 473 247 B K - 0 0 55 -2,-0.4 -408,-0.3 -412,-0.1 -407,-0.2 -0.942 20.7-178.4-111.0 106.7 50.2 52.3 36.7 474 248 B S - 0 0 40 -2,-0.7 2,-0.3 -409,-0.2 -411,-0.2 -0.172 23.8-112.1 -84.8-175.2 47.3 52.2 39.2 475 249 B F 0 0 27 -413,-0.5 -1,-0.1 -412,-0.1 -394,-0.0 -0.848 360.0 360.0-119.0 164.0 45.7 55.3 40.7 476 250 B D 0 0 175 -2,-0.3 -410,-0.0 -395,-0.1 0, 0.0 -0.785 360.0 360.0 -92.5 360.0 45.6 56.7 44.3