==== 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 30-MAR-10 3MDQ . COMPND 2 MOLECULE: EXOPOLYPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CYTOPHAGA HUTCHINSONII; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 79.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 13.1 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 0 1 0 0 1 1 1 1 2 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 . 0 0 0 0 1 2 1 0 0 1 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 0 0 1 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 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 3 A Q 0 0 140 0, 0.0 19,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-165.5 34.4 27.2 85.0 2 4 A R E -A 19 0A 68 68,-0.2 71,-1.2 17,-0.2 70,-0.7 -0.847 360.0-158.6 -95.7 140.5 35.3 26.0 81.5 3 5 A I E -Ab 18 73A 12 15,-2.4 15,-2.5 -2,-0.4 2,-0.4 -0.956 3.4-163.0-119.8 134.3 36.5 22.4 81.0 4 6 A G E -Ab 17 74A 0 69,-3.0 71,-2.0 -2,-0.4 2,-0.4 -0.975 6.4-172.3-117.5 131.8 38.5 21.1 78.2 5 7 A V E -Ab 16 75A 1 11,-2.7 11,-2.7 -2,-0.4 2,-0.4 -0.989 4.7-166.2-124.7 131.4 38.8 17.4 77.4 6 8 A I E -Ab 15 76A 0 69,-2.5 71,-2.6 -2,-0.4 2,-0.6 -0.979 4.3-161.6-116.0 127.8 41.1 15.8 74.8 7 9 A D E -Ab 14 77A 14 7,-2.2 7,-2.2 -2,-0.4 2,-1.6 -0.946 6.3-157.9-106.0 111.5 40.6 12.2 73.7 8 10 A X E -Ab 13 78A 3 69,-2.1 71,-1.0 -2,-0.6 74,-0.3 -0.597 25.3-178.5 -90.2 76.8 43.8 10.9 72.1 9 11 A G - 0 0 10 -2,-1.6 28,-0.4 3,-1.0 26,-0.1 -0.185 39.5-108.9 -75.8 166.3 42.2 8.1 70.1 10 12 A T S S+ 0 0 8 1,-0.1 27,-1.5 27,-0.1 28,-1.4 0.897 113.5 12.0 -65.1 -42.0 44.0 5.7 67.8 11 13 A N S S+ 0 0 13 1,-0.3 24,-2.8 25,-0.2 25,-2.4 0.837 132.6 31.2 -97.0 -49.1 42.7 7.2 64.6 12 14 A T E - C 0 34A 13 22,-0.2 -3,-1.0 23,-0.2 2,-0.4 -0.934 62.4-148.2-124.2 134.0 41.1 10.5 65.6 13 15 A F E -AC 8 33A 0 20,-3.2 20,-2.2 -2,-0.4 2,-0.4 -0.860 20.3-157.5 -96.9 143.3 41.9 13.0 68.3 14 16 A H E -AC 7 32A 37 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.4 -0.940 10.6-162.9-124.0 145.2 38.9 14.9 69.8 15 17 A L E -AC 6 31A 0 16,-2.6 16,-2.6 -2,-0.4 2,-0.4 -0.993 9.2-179.1-126.8 121.9 38.7 18.2 71.6 16 18 A L E -AC 5 30A 2 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.5 -0.988 3.2-174.3-120.7 124.3 35.6 19.1 73.6 17 19 A I E -AC 4 29A 0 12,-2.6 11,-2.7 -2,-0.4 12,-1.9 -0.988 9.8-176.0-120.8 127.4 35.4 22.5 75.5 18 20 A T E -AC 3 27A 1 -15,-2.5 -15,-2.4 -2,-0.5 2,-0.4 -0.958 18.4-150.8-127.9 136.5 32.3 23.0 77.7 19 21 A D E -AC 2 26A 34 7,-3.0 7,-2.8 -2,-0.4 2,-0.5 -0.841 12.9-154.0-100.6 144.1 31.1 26.0 79.7 20 22 A I E + C 0 25A 34 -19,-1.0 2,-0.4 -2,-0.4 3,-0.3 -0.841 23.0 166.8-126.8 96.9 29.1 25.1 82.7 21 23 A V E > + C 0 24A 93 3,-1.8 3,-1.1 -2,-0.5 -2,-0.1 -0.944 69.9 0.2-119.6 131.5 26.7 28.0 83.7 22 24 A N T 3 S- 0 0 99 -2,-0.4 -1,-0.2 1,-0.2 0, 0.0 0.885 130.1 -64.7 55.1 41.1 23.8 27.7 86.2 23 25 A D T 3 S+ 0 0 93 -3,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.695 114.6 118.6 52.8 25.7 25.1 24.0 86.5 24 26 A R E < -C 21 0A 55 -3,-1.1 -3,-1.8 2,-0.0 2,-0.2 -0.977 61.1-136.0-116.0 119.5 24.1 23.4 82.9 25 27 A P E -C 20 0A 47 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.602 20.1-171.0 -75.9 144.2 27.0 22.4 80.5 26 28 A H E -C 19 0A 118 -7,-2.8 -7,-3.0 -2,-0.2 2,-0.4 -1.000 24.0-120.0-134.0 127.7 27.0 24.1 77.1 27 29 A T E +C 18 0A 73 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.568 32.6 168.9 -72.9 122.8 29.4 23.1 74.2 28 30 A L E S+ 0 0 53 -11,-2.7 2,-0.3 -2,-0.4 -10,-0.2 0.765 72.3 13.7 -92.5 -42.6 31.8 25.8 73.0 29 31 A V E +C 17 0A 15 -12,-1.9 -12,-2.6 2,-0.0 -1,-0.3 -0.997 49.9 173.0-139.8 134.8 34.0 23.6 70.9 30 32 A N E +C 16 0A 95 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.834 28.5 162.7-139.3 100.9 33.7 20.0 69.5 31 33 A E E -C 15 0A 85 -16,-2.6 -16,-2.6 -2,-0.3 2,-0.3 -0.866 19.8-165.2-124.9 146.3 36.7 19.5 67.2 32 34 A K E -C 14 0A 105 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.953 2.5-171.0-130.6 159.2 38.3 16.4 65.6 33 35 A S E -C 13 0A 31 -20,-2.2 -20,-3.2 -2,-0.3 2,-0.4 -0.972 25.6-125.6-149.3 129.1 41.6 15.8 63.9 34 36 A A E +C 12 0A 62 -2,-0.3 -22,-0.2 -22,-0.2 -23,-0.1 -0.638 39.6 158.3 -77.9 122.5 42.8 12.7 62.1 35 37 A V - 0 0 2 -24,-2.8 -23,-0.2 -2,-0.4 -1,-0.2 0.652 33.7-147.5-116.6 -36.9 46.1 11.6 63.6 36 38 A G + 0 0 1 -25,-2.4 3,-0.5 1,-0.1 -25,-0.2 0.955 26.8 170.1 62.2 51.6 46.6 7.9 62.8 37 39 A L S S+ 0 0 1 -27,-1.5 11,-0.3 -28,-0.4 -26,-0.2 0.760 76.9 48.3 -63.8 -28.9 48.5 7.1 66.0 38 40 A G S >> S+ 0 0 0 -28,-1.4 4,-2.7 3,-0.1 3,-2.1 0.742 82.9 116.0 -86.4 -20.4 48.2 3.4 65.2 39 41 A K T 34 S+ 0 0 86 -3,-0.5 9,-0.4 -29,-0.3 12,-0.2 -0.199 88.3 0.5 -58.1 128.8 49.3 3.6 61.6 40 42 A G T 34 S+ 0 0 56 1,-0.1 -1,-0.3 7,-0.1 -2,-0.1 0.403 138.5 38.9 78.1 -3.6 52.5 1.8 60.8 41 43 A G T X>>S+ 0 0 2 -3,-2.1 3,-1.7 7,-0.1 5,-1.6 0.640 74.7 92.6-144.8 -26.2 53.0 0.6 64.5 42 44 A I G ><5S+ 0 0 6 -4,-2.7 3,-1.1 1,-0.3 -3,-0.1 0.828 92.8 46.5 -58.3 -43.4 50.1 -0.6 66.6 43 45 A T G 345S+ 0 0 51 -5,-0.3 -1,-0.3 1,-0.2 -5,-0.0 0.625 113.9 51.3 -76.3 -7.4 50.2 -4.3 65.9 44 46 A K G <45S- 0 0 167 -3,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.375 119.2-109.3-107.3 2.3 53.9 -4.3 66.4 45 47 A G T <<5S+ 0 0 24 -3,-1.1 41,-2.8 -4,-0.6 2,-0.3 0.725 80.8 88.2 84.8 22.5 53.7 -2.5 69.8 46 48 A F < - 0 0 81 -5,-1.6 2,-0.5 39,-0.3 -1,-0.3 -0.950 67.8-122.0-144.0 168.2 55.1 1.0 69.0 47 49 A I - 0 0 3 -2,-0.3 -9,-0.1 -3,-0.1 -7,-0.1 -0.949 35.9-127.9-109.1 129.1 54.2 4.4 67.8 48 50 A T > - 0 0 30 -2,-0.5 4,-2.5 -9,-0.4 5,-0.2 -0.249 17.8-115.5 -73.4 163.0 56.1 5.6 64.7 49 51 A E H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 117.9 53.2 -60.6 -39.3 58.0 8.9 64.5 50 52 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 109.6 47.9 -63.9 -40.6 55.6 10.1 61.8 51 53 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 110.8 50.8 -67.1 -41.7 52.6 9.3 64.0 52 54 A X H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.900 109.9 51.0 -62.2 -40.4 54.2 11.1 67.0 53 55 A D H X S+ 0 0 98 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 110.4 48.2 -64.6 -40.4 54.8 14.1 64.8 54 56 A R H X S+ 0 0 71 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.913 111.0 52.1 -62.1 -44.3 51.1 14.1 63.6 55 57 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.928 111.1 46.3 -57.9 -47.0 50.0 13.8 67.3 56 58 A L H X S+ 0 0 17 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.891 109.8 54.2 -64.2 -41.1 52.1 16.8 68.3 57 59 A D H X S+ 0 0 79 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.963 112.4 44.0 -55.8 -49.7 50.9 18.8 65.4 58 60 A T H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.914 112.4 51.4 -65.0 -41.8 47.3 18.2 66.4 59 61 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.851 106.2 54.7 -66.8 -32.1 48.0 18.9 70.1 60 62 A K H X S+ 0 0 93 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.924 111.2 46.4 -64.0 -42.7 49.7 22.2 69.2 61 63 A K H X S+ 0 0 119 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.914 112.3 49.0 -64.3 -42.4 46.5 23.2 67.4 62 64 A F H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.893 107.3 56.2 -64.1 -38.2 44.3 22.0 70.2 63 65 A R H X S+ 0 0 79 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.929 106.1 51.1 -61.0 -42.2 46.5 23.9 72.8 64 66 A V H X S+ 0 0 75 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.928 110.8 48.1 -58.0 -47.0 45.8 27.1 70.8 65 67 A I H X S+ 0 0 23 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.921 110.6 51.4 -63.8 -40.7 42.1 26.5 70.8 66 68 A L H ><>S+ 0 0 4 -4,-2.7 5,-2.3 1,-0.2 3,-0.8 0.933 112.7 45.8 -57.4 -48.1 42.1 25.8 74.6 67 69 A D H ><5S+ 0 0 83 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.885 105.9 59.0 -64.3 -37.9 44.0 29.0 75.1 68 70 A E H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.671 111.2 43.6 -65.9 -16.7 41.6 31.0 72.8 69 71 A H T <<5S- 0 0 52 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.153 111.4-121.2-112.1 15.0 38.8 29.9 75.2 70 72 A A T < 5 - 0 0 75 -3,-1.7 2,-0.3 1,-0.2 -68,-0.2 0.839 43.3-176.6 50.2 42.1 40.7 30.6 78.4 71 73 A V < + 0 0 16 -5,-2.3 -1,-0.2 1,-0.2 -68,-0.1 -0.519 18.7 171.0 -76.8 128.8 40.4 27.0 79.6 72 74 A V + 0 0 72 -70,-0.7 2,-0.9 -2,-0.3 -1,-0.2 0.851 66.1 61.2 -99.5 -48.3 41.8 26.3 83.0 73 75 A H E +b 3 0A 99 -71,-1.2 -69,-3.0 2,-0.0 2,-0.4 -0.695 69.4 167.4 -88.1 107.2 40.6 22.8 83.7 74 76 A V E +b 4 0A 56 -2,-0.9 2,-0.4 -71,-0.2 -69,-0.2 -0.934 14.1 179.5-121.5 137.9 42.2 20.5 81.0 75 77 A I E -b 5 0A 22 -71,-2.0 -69,-2.5 -2,-0.4 2,-0.5 -0.965 5.0-171.0-138.9 129.0 42.3 16.7 80.9 76 78 A A E -bd 6 103A 0 26,-0.7 28,-3.2 -2,-0.4 2,-0.4 -0.970 10.6-159.9-120.8 116.8 43.9 14.7 78.0 77 79 A T E -bd 7 104A 0 -71,-2.6 -69,-2.1 -2,-0.5 2,-0.4 -0.787 5.4-154.7-100.6 142.9 43.4 10.9 78.1 78 80 A G E +bd 8 105A 0 26,-2.4 28,-2.3 -2,-0.4 -69,-0.1 -0.986 23.1 171.1-112.0 131.9 45.6 8.4 76.2 79 81 A T > - 0 0 5 -71,-1.0 4,-3.2 -2,-0.4 5,-0.4 0.179 50.2 -17.2-119.5-135.8 43.9 5.1 75.4 80 82 A S H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.855 131.9 40.0 -49.4 -56.2 44.6 2.0 73.2 81 83 A A H > S+ 0 0 4 2,-0.2 4,-1.2 -73,-0.2 -1,-0.2 0.887 120.8 46.2 -64.6 -34.2 47.5 3.2 71.0 82 84 A V H >4 S+ 0 0 1 -3,-0.3 3,-0.5 -74,-0.3 6,-0.2 0.975 116.5 41.4 -72.5 -51.6 49.1 5.1 73.8 83 85 A R H 3< S+ 0 0 48 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.827 116.9 50.5 -66.9 -27.5 48.9 2.4 76.5 84 86 A S H 3< S+ 0 0 44 -4,-2.1 2,-0.3 -5,-0.4 -1,-0.2 0.732 88.3 97.5 -78.8 -29.4 49.9 -0.3 74.0 85 87 A G X< - 0 0 4 -4,-1.2 3,-1.8 -3,-0.5 -39,-0.3 -0.460 64.4-149.0 -76.2 126.1 53.0 1.5 72.6 86 88 A S T 3 S+ 0 0 101 -41,-2.8 3,-0.3 1,-0.3 -40,-0.2 0.831 101.6 47.0 -61.8 -27.3 56.3 0.5 74.0 87 89 A N T >> S+ 0 0 37 1,-0.2 3,-1.3 -42,-0.2 4,-1.2 0.075 72.6 123.0-103.0 23.8 57.5 4.1 73.4 88 90 A K H <> + 0 0 72 -3,-1.8 4,-2.7 1,-0.3 5,-0.2 0.839 68.8 60.6 -51.4 -36.6 54.5 5.9 74.9 89 91 A Q H 3> S+ 0 0 97 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.807 98.0 58.0 -68.5 -28.5 56.6 7.8 77.4 90 92 A V H <> S+ 0 0 59 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.950 111.5 42.1 -60.1 -50.1 58.6 9.4 74.5 91 93 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.921 114.4 51.0 -60.6 -45.8 55.3 10.8 73.2 92 94 A I H X S+ 0 0 18 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.918 112.3 46.2 -61.1 -42.4 54.0 11.8 76.6 93 95 A D H X S+ 0 0 92 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.887 111.1 52.0 -71.6 -37.5 57.2 13.6 77.5 94 96 A R H X S+ 0 0 89 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.914 109.9 50.5 -63.2 -40.8 57.2 15.4 74.0 95 97 A I H X>S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 6,-0.7 0.910 109.7 49.7 -62.4 -44.5 53.6 16.6 74.7 96 98 A K H X5S+ 0 0 77 -4,-2.0 4,-1.2 4,-0.2 -2,-0.2 0.936 114.6 45.3 -61.4 -43.1 54.5 17.9 78.1 97 99 A K H <5S+ 0 0 188 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.920 118.5 41.1 -65.4 -44.9 57.5 19.8 76.7 98 100 A E H <5S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.875 136.6 5.9 -76.7 -42.5 55.6 21.2 73.7 99 101 A V H <5S- 0 0 7 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.311 90.5-119.5-129.5 3.7 52.2 22.2 75.1 100 102 A N << + 0 0 100 -4,-1.2 2,-0.4 -5,-0.6 -4,-0.2 0.884 65.8 136.3 55.7 43.6 52.5 21.7 78.9 101 103 A I - 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0 0 107 -4,-2.6 -71,-0.2 -5,-0.3 -3,-0.1 0.909 15.6-156.9 54.5 55.7 20.7 -10.8 79.2 201 203 A P - 0 0 9 0, 0.0 84,-0.6 0, 0.0 -71,-0.2 -0.344 10.6-163.2 -60.3 148.5 20.8 -7.4 77.7 202 204 A T + 0 0 69 -73,-2.7 85,-0.5 82,-0.1 2,-0.3 0.375 66.8 49.6-114.7 -1.1 17.8 -6.5 75.6 203 205 A Q E -f 130 0B 46 -74,-1.0 -72,-3.0 83,-0.2 2,-0.4 -0.977 64.4-144.5-141.4 153.4 19.2 -3.5 73.7 204 206 A L E -fh 131 289B 0 84,-0.7 86,-2.4 -2,-0.3 2,-0.4 -0.974 14.8-174.8-119.4 127.8 22.3 -2.6 71.8 205 207 A I E -fh 132 290B 4 -74,-3.1 -72,-2.3 -2,-0.4 2,-0.4 -0.968 4.8-165.4-120.6 136.0 23.9 0.9 71.8 206 208 A G E +fh 133 291B 0 84,-2.2 86,-2.8 -2,-0.4 2,-0.3 -0.948 7.8 180.0-120.3 145.2 26.8 2.0 69.7 207 209 A C E +fh 134 292B 0 -74,-2.2 -72,-1.2 -2,-0.4 4,-0.3 -0.945 34.3 41.8-138.6 169.0 29.1 5.0 70.0 208 210 A S S > S- 0 0 19 84,-0.5 4,-2.3 -2,-0.3 3,-0.3 -0.288 98.6 -36.5 83.8-169.7 32.1 6.7 68.4 209 211 A G H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.784 129.0 50.4 -63.2 -42.0 33.0 7.3 64.7 210 212 A T H > S+ 0 0 3 -75,-0.6 4,-2.2 -3,-0.2 -1,-0.2 0.954 115.9 43.5 -58.5 -49.8 31.8 4.1 63.0 211 213 A F H > S+ 0 0 0 -4,-0.3 4,-2.3 -3,-0.3 -2,-0.2 0.896 111.7 53.6 -65.9 -36.5 28.4 4.4 64.6 212 214 A D H X S+ 0 0 46 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.930 109.9 49.3 -61.8 -42.9 28.2 8.2 63.9 213 215 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.903 108.5 52.1 -64.3 -39.5 29.0 7.5 60.2 214 216 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.931 111.4 47.9 -61.8 -44.6 26.3 4.8 60.0 215 217 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.937 111.9 48.7 -59.2 -48.0 23.8 7.2 61.5 216 218 A E H X S+ 0 0 79 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.904 111.0 50.6 -62.7 -39.3 24.8 10.0 59.1 217 219 A X H X S+ 0 0 19 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.890 111.3 48.7 -62.6 -40.3 24.6 7.6 56.1 218 220 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.871 108.6 52.8 -70.4 -37.9 21.1 6.5 57.1 219 221 A I H X>S+ 0 0 15 -4,-2.4 5,-2.3 2,-0.2 4,-0.5 0.933 112.3 45.8 -58.8 -46.1 20.0 10.1 57.5 220 222 A Q H ><5S+ 0 0 141 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.927 111.2 52.3 -66.0 -43.0 21.2 10.9 54.0 221 223 A H H 3<5S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.880 116.5 38.8 -62.2 -39.6 19.6 7.7 52.6 222 224 A H H 3<5S- 0 0 75 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.402 106.7-125.5 -89.4 2.4 16.2 8.6 54.2 223 225 A R T <<5 + 0 0 101 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.907 46.9 172.6 50.2 45.3 16.5 12.3 53.4 224 226 A E < - 0 0 67 -5,-2.3 2,-1.4 -6,-0.2 -1,-0.2 -0.614 38.1-133.3 -79.8 138.0 15.9 13.0 57.1 225 227 A K + 0 0 113 -2,-0.3 2,-0.5 2,-0.1 -1,-0.1 -0.549 59.1 139.8 -89.6 70.3 16.4 16.7 58.1 226 228 A I - 0 0 55 -2,-1.4 2,-0.8 -10,-0.1 -2,-0.1 -0.965 44.5-159.1-125.1 118.6 18.4 15.7 61.1 227 229 A A > - 0 0 46 -2,-0.5 3,-2.2 1,-0.2 4,-0.2 -0.853 8.7-158.3 -88.7 108.9 21.6 17.3 62.5 228 230 A L G > S+ 0 0 16 -2,-0.8 3,-1.3 1,-0.3 -1,-0.2 0.827 90.8 66.7 -59.6 -29.9 23.2 14.6 64.6 229 231 A E G 3 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.691 97.8 54.0 -56.8 -22.6 25.1 17.5 66.4 230 232 A K G < S+ 0 0 127 -3,-2.2 2,-0.3 2,-0.0 -1,-0.2 0.309 108.5 46.2-104.5 8.6 21.7 18.7 67.8 231 233 A Q < - 0 0 76 -3,-1.3 3,-0.1 -4,-0.2 -109,-0.0 -0.983 67.5-139.7-144.7 159.7 20.5 15.4 69.4 232 234 A T S S+ 0 0 46 -2,-0.3 61,-2.4 -110,-0.1 62,-0.5 0.578 81.2 32.1-102.4 -5.9 22.2 12.8 71.7 233 235 A S E -I 292 0B 42 59,-0.2 2,-0.3 60,-0.1 59,-0.2 -0.984 53.8-168.6-144.1 159.8 20.8 9.6 70.2 234 236 A Y E -I 291 0B 10 57,-1.8 57,-3.4 -2,-0.3 2,-0.6 -0.967 19.0-138.7-147.3 125.3 19.7 8.2 66.9 235 237 A L E -I 290 0B 102 -2,-0.3 2,-0.6 55,-0.2 55,-0.2 -0.775 14.5-166.4 -95.8 125.3 17.8 4.9 66.4 236 238 A L E -I 289 0B 0 53,-3.3 53,-3.0 -2,-0.6 -21,-0.0 -0.910 17.7-135.2-104.8 118.9 18.9 2.8 63.5 237 239 A S E > -I 288 0B 36 -2,-0.6 4,-2.5 51,-0.2 51,-0.2 -0.358 20.8-114.6 -68.8 160.8 16.5 -0.0 62.6 238 240 A L H > S+ 0 0 46 49,-0.6 4,-3.0 1,-0.2 5,-0.2 0.911 117.9 53.2 -63.2 -41.7 17.9 -3.5 61.9 239 241 A P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.905 109.8 48.6 -57.0 -39.9 16.7 -3.3 58.3 240 242 A D H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.921 111.2 50.1 -65.1 -41.7 18.6 -0.0 58.0 241 243 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.922 109.7 51.0 -60.0 -45.5 21.7 -1.6 59.5 242 244 A N H X S+ 0 0 47 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.859 108.1 51.9 -67.5 -30.3 21.5 -4.6 57.1 243 245 A R H X S+ 0 0 54 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.942 113.1 45.0 -64.0 -44.8 21.2 -2.2 54.1 244 246 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.887 112.3 52.3 -66.5 -39.3 24.3 -0.4 55.3 245 247 A R H X S+ 0 0 60 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.939 110.8 46.1 -61.0 -47.7 26.1 -3.7 56.0 246 248 A K H X S+ 0 0 136 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.930 114.2 49.7 -63.8 -42.4 25.4 -5.0 52.5 247 249 A Q H X S+ 0 0 90 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.948 115.3 41.6 -60.8 -48.6 26.5 -1.7 50.9 248 250 A L H < S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.885 111.1 54.4 -75.2 -35.8 29.7 -1.5 52.9 249 251 A V H < S+ 0 0 16 -4,-2.9 -76,-0.7 1,-0.2 -1,-0.2 0.881 113.1 45.1 -61.8 -35.7 30.7 -5.2 52.5 250 252 A A H < S+ 0 0 72 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.703 99.7 100.4 -76.7 -21.4 30.3 -4.8 48.7 251 253 A S < - 0 0 10 -4,-1.0 -78,-0.4 -3,-0.4 2,-0.2 -0.241 64.8-135.0 -72.7 152.1 32.2 -1.5 48.6 252 254 A T > - 0 0 37 -81,-0.1 4,-2.2 -80,-0.1 5,-0.2 -0.664 29.1-111.4 -92.4 160.0 35.8 -0.8 47.7 253 255 A R H > S+ 0 0 80 -2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.918 119.8 53.9 -52.8 -46.8 38.0 1.5 49.7 254 256 A R H > S+ 0 0 174 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.904 108.0 49.3 -59.2 -41.4 38.0 4.0 46.9 255 257 A E H >4 S+ 0 0 118 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.899 109.7 52.2 -63.4 -40.8 34.1 4.1 46.9 256 258 A R H >< S+ 0 0 16 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.867 97.0 65.4 -67.2 -33.1 34.1 4.6 50.7 257 259 A L H 3< S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.751 99.0 57.0 -59.7 -21.7 36.4 7.5 50.5 258 260 A A T << S+ 0 0 87 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.3 0.497 80.3 107.4 -89.3 -3.8 33.6 9.3 48.6 259 261 A I S X S- 0 0 34 -3,-2.1 3,-2.1 -4,-0.2 2,-0.1 -0.560 84.2-102.7 -76.6 134.5 31.0 8.8 51.4 260 262 A A T 3 S+ 0 0 84 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.357 103.5 7.1 -62.2 129.1 30.2 12.1 53.2 261 263 A G T 3 S+ 0 0 38 1,-0.2 2,-1.4 -4,-0.1 -1,-0.3 0.367 90.9 129.6 82.1 -3.7 31.9 12.2 56.6 262 264 A X < - 0 0 10 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.664 46.4-157.3 -88.0 95.9 33.9 9.1 56.0 263 265 A I > - 0 0 45 -2,-1.4 4,-2.9 1,-0.1 3,-0.4 -0.275 29.0-102.6 -67.8 155.9 37.4 10.1 56.8 264 266 A E H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.875 118.7 48.2 -50.3 -48.6 40.3 8.1 55.3 265 267 A L H > S+ 0 0 9 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.889 114.2 47.4 -67.5 -33.4 41.2 6.1 58.4 266 268 A R H > S+ 0 0 19 -3,-0.4 4,-1.6 2,-0.2 3,-0.5 0.929 107.7 55.6 -70.9 -42.3 37.6 5.2 59.0 267 269 A A H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 3,-0.2 0.892 105.7 55.5 -52.3 -39.6 37.1 4.2 55.3 268 270 A D H < S+ 0 0 32 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 0.862 121.8 22.8 -64.4 -37.5 40.0 1.8 55.8 269 271 A X H X S+ 0 0 7 -4,-1.2 4,-1.8 -3,-0.5 -1,-0.2 0.323 91.8 98.2-117.0 10.4 38.5 -0.1 58.8 270 272 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.2 5,-0.1 0.818 81.7 56.0 -69.3 -29.4 34.7 0.4 58.5 271 273 A V H > S+ 0 0 11 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.945 110.1 43.4 -70.2 -44.8 34.1 -2.9 56.8 272 274 A V H > S+ 0 0 2 1,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.895 113.1 55.1 -64.5 -33.3 35.7 -5.0 59.6 273 275 A A H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.928 106.9 48.1 -62.2 -46.9 33.9 -2.8 62.0 274 276 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.852 108.8 55.0 -65.0 -32.6 30.5 -3.5 60.5 275 277 A C H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 108.3 49.1 -63.0 -42.1 31.4 -7.3 60.5 276 278 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.913 110.3 50.3 -63.0 -42.2 32.1 -6.9 64.3 277 279 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.939 110.8 48.9 -62.2 -45.3 28.7 -5.2 64.8 278 280 A E H X S+ 0 0 49 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.943 109.9 52.9 -57.8 -46.8 26.9 -7.9 62.8 279 281 A H H X S+ 0 0 20 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.916 111.8 44.9 -55.4 -46.7 28.7 -10.5 65.0 280 282 A V H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-1.2 0.906 107.2 59.3 -66.8 -40.1 27.6 -8.8 68.2 281 283 A L H 3< S+ 0 0 20 -4,-2.9 3,-0.3 1,-0.3 5,-0.3 0.853 99.9 56.7 -55.4 -36.4 24.0 -8.4 66.9 282 284 A K H 3< S+ 0 0 95 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.762 107.1 50.3 -69.0 -22.8 23.7 -12.2 66.5 283 285 A L H << S+ 0 0 51 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 0.710 109.0 57.3 -84.6 -21.2 24.6 -12.5 70.2 284 286 A V S < S- 0 0 11 -4,-1.2 2,-0.4 -3,-0.3 -82,-0.1 -0.770 70.1-143.5-109.8 150.6 21.9 -10.0 71.4 285 287 A S + 0 0 95 -84,-0.6 2,-0.1 -2,-0.3 -3,-0.1 -0.535 45.8 155.7-109.5 60.7 18.2 -10.0 70.8 286 288 A T - 0 0 13 -2,-0.4 -83,-0.2 -5,-0.3 3,-0.1 -0.481 44.9-139.6 -78.2 156.9 17.9 -6.2 70.4 287 289 A N S S- 0 0 118 -85,-0.5 -49,-0.6 1,-0.2 2,-0.3 0.635 78.8 -23.4 -92.3 -16.5 15.0 -4.6 68.4 288 290 A A E S- I 0 237B 6 -51,-0.2 -84,-0.7 -50,-0.1 2,-0.4 -0.907 74.2 -92.2-169.7-179.2 17.2 -1.9 66.8 289 291 A I E -hI 204 236B 0 -53,-3.0 -53,-3.3 -2,-0.3 2,-0.6 -0.960 28.3-152.7-111.6 133.2 20.6 -0.2 67.4 290 292 A T E -hI 205 235B 28 -86,-2.4 -84,-2.2 -2,-0.4 2,-0.6 -0.939 10.0-147.8-102.7 121.0 20.7 3.1 69.2 291 293 A V E -hI 206 234B 0 -57,-3.4 -57,-1.8 -2,-0.6 2,-0.5 -0.798 7.0-153.2 -84.8 121.5 23.6 5.4 68.3 292 294 A S E -hI 207 233B 0 -86,-2.8 -84,-0.5 -2,-0.6 -59,-0.2 -0.888 5.9-157.0 -87.3 126.8 24.9 7.5 71.2 293 295 A T S S+ 0 0 27 -61,-2.4 2,-0.3 -2,-0.5 -60,-0.1 0.569 75.8 79.3 -80.2 -7.4 26.5 10.7 70.0 294 296 A Y + 0 0 47 -62,-0.5 2,-0.2 -176,-0.1 -2,-0.1 -0.787 55.1 149.1 -97.5 143.7 28.4 10.8 73.4 295 297 A S > - 0 0 6 -2,-0.3 4,-2.3 -177,-0.1 3,-0.3 -0.458 61.9 -29.7-146.4-145.4 31.4 8.7 74.0 296 298 A L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 128.5 52.4 -52.6 -47.9 34.7 8.9 76.0 297 299 A K H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 113.3 44.9 -61.8 -39.8 35.2 12.7 76.0 298 300 A E H > S+ 0 0 9 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.876 110.6 54.6 -69.0 -37.6 31.7 13.3 77.3 299 301 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.885 108.1 49.4 -61.8 -38.4 32.1 10.6 79.8 300 302 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.941 112.1 48.9 -60.9 -50.1 35.2 12.3 81.1 301 303 A L H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.940 114.0 44.1 -54.7 -50.1 33.3 15.6 81.3 302 304 A Y H X S+ 0 0 26 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.841 110.1 54.9 -74.6 -27.9 30.4 14.2 83.1 303 305 A T H X>S+ 0 0 8 -4,-2.0 5,-2.2 -5,-0.2 4,-0.6 0.937 111.0 47.5 -62.7 -43.7 32.6 12.2 85.5 304 306 A X H ><5S+ 0 0 54 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.917 111.5 49.2 -62.0 -46.8 34.3 15.5 86.3 305 307 A L H 3<5S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.827 106.4 56.8 -64.7 -32.1 31.0 17.3 86.8 306 308 A D H 3<5S- 0 0 92 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.687 119.2-114.4 -66.2 -19.3 29.8 14.4 89.1 307 309 A G T <<5S+ 0 0 68 -3,-1.1 2,-0.4 -4,-0.6 -3,-0.2 0.837 70.5 136.6 80.2 41.5 32.9 15.2 91.2 308 310 A V < - 0 0 77 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.1 -0.922 60.6-105.4-124.0 140.7 34.6 11.9 90.5 309 311 A K - 0 0 96 -2,-0.4 -5,-0.0 1,-0.1 -6,-0.0 -0.418 25.3-155.6 -67.4 133.2 38.3 11.2 89.7 310 312 A V + 0 0 10 -2,-0.1 -1,-0.1 -9,-0.0 -196,-0.1 0.945 60.2 82.0 -76.0 -50.9 38.9 10.4 86.0 311 313 A G 0 0 12 1,-0.1 -205,-0.1 -205,-0.1 -234,-0.0 0.012 360.0 360.0 -61.6 160.0 42.1 8.4 86.0 312 314 A S 0 0 83 -207,-0.4 -206,-0.2 0, 0.0 -202,-0.1 0.648 360.0 360.0 141.4 360.0 42.8 4.8 86.7