==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-00 1E5T . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR V.FULOP . 710 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 23.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 2 0.3 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 . 67 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 1 0 1 0 0 0 2 0 2 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 4 4 4 8 1 1 1 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 . 1 0 3 2 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 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 M 0 0 111 0, 0.0 2,-0.6 0, 0.0 667,-0.1 0.000 360.0 360.0 360.0 -39.5 17.3 54.3 60.2 2 2 A L + 0 0 51 665,-0.2 666,-0.0 1,-0.1 51,-0.0 -0.612 360.0 165.1 -74.5 119.4 20.9 53.8 59.1 3 3 A S + 0 0 108 -2,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.078 50.9 74.9-124.1 30.7 22.3 57.0 57.6 4 4 A F - 0 0 47 49,-0.0 2,-0.4 0, 0.0 45,-0.0 -0.846 69.7-126.6-135.5 169.5 26.0 56.2 57.6 5 5 A Q - 0 0 173 -2,-0.3 -2,-0.0 0, 0.0 44,-0.0 -0.962 29.5-112.1-120.6 140.3 28.5 54.0 55.7 6 6 A Y - 0 0 50 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.401 43.2 -98.7 -69.5 145.1 30.8 51.5 57.3 7 7 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.243 36.2-102.3 -62.7 149.8 34.5 52.4 57.1 8 8 A D - 0 0 168 1,-0.0 2,-0.4 2,-0.0 37,-0.1 -0.616 43.9-172.6 -70.4 131.3 36.8 50.9 54.4 9 9 A V - 0 0 32 -2,-0.3 2,-0.0 645,-0.1 -3,-0.0 -0.948 20.8-126.0-135.7 116.5 38.8 48.1 56.2 10 10 A Y - 0 0 164 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.296 17.6-147.0 -61.5 134.3 41.6 46.3 54.4 11 11 A R - 0 0 48 17,-0.1 2,-1.5 18,-0.0 17,-0.2 -0.913 2.5-150.5-106.7 116.0 41.5 42.5 54.3 12 12 A D > - 0 0 46 15,-2.6 3,-1.5 -2,-0.6 14,-0.2 -0.711 17.4-179.6 -84.6 92.8 44.8 40.7 54.4 13 13 A E T 3 S+ 0 0 109 -2,-1.5 -1,-0.2 1,-0.3 15,-0.1 0.506 75.0 66.0 -71.9 -5.4 43.7 37.6 52.5 14 14 A T T 3 S+ 0 0 114 13,-0.1 2,-1.7 12,-0.1 -1,-0.3 0.489 70.8 105.7 -90.1 -9.4 47.2 36.2 52.9 15 15 A A < + 0 0 19 -3,-1.5 11,-2.7 2,-0.0 2,-0.4 -0.610 47.0 150.3 -74.9 87.8 46.8 35.8 56.7 16 16 A I E -A 25 0A 98 -2,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.993 21.3-177.5-125.2 127.6 46.3 32.1 56.8 17 17 A Q E -A 24 0A 82 7,-2.6 7,-2.7 -2,-0.4 2,-0.6 -0.976 21.9-133.0-128.6 139.3 47.2 29.9 59.8 18 18 A D E -A 23 0A 76 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.811 16.1-171.0 -93.4 123.2 47.0 26.1 60.1 19 19 A Y E > S-A 22 0A 13 3,-3.1 3,-2.0 -2,-0.6 584,-0.1 -0.912 76.4 -42.6-113.6 95.2 45.5 24.9 63.4 20 20 A H T 3 S- 0 0 72 -2,-0.7 3,-0.1 1,-0.3 -1,-0.1 0.836 124.3 -38.5 52.5 41.2 46.0 21.1 63.5 21 21 A G T 3 S+ 0 0 61 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.377 117.0 114.6 92.6 -3.5 45.0 20.8 59.8 22 22 A H E < -A 19 0A 75 -3,-2.0 -3,-3.1 2,-0.0 2,-0.4 -0.894 61.0-142.0-104.3 114.3 42.3 23.4 60.0 23 23 A K E -A 18 0A 135 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.633 18.5-169.6 -77.7 130.7 43.1 26.4 57.9 24 24 A V E -A 17 0A 12 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.4 -0.980 11.0-150.8-127.4 123.7 42.0 29.7 59.5 25 25 A C E -A 16 0A 75 -2,-0.5 -9,-0.2 -9,-0.2 -12,-0.1 -0.758 11.8-177.4 -91.5 132.2 42.0 33.0 57.7 26 26 A D > + 0 0 13 -11,-2.7 3,-2.1 -2,-0.4 4,-0.2 -0.574 8.8 169.2-129.9 70.1 42.6 36.1 59.9 27 27 A P T 3 S+ 0 0 13 0, 0.0 -15,-2.6 0, 0.0 3,-0.3 0.677 78.2 48.8 -57.2 -20.9 42.2 39.1 57.4 28 28 A Y T > + 0 0 5 -17,-0.2 3,-2.3 1,-0.2 4,-0.2 0.126 69.3 119.2-108.5 22.4 42.2 41.7 60.2 29 29 A A G X + 0 0 18 -3,-2.1 3,-2.1 1,-0.3 -1,-0.2 0.809 65.4 71.9 -55.3 -28.9 45.2 40.3 62.1 30 30 A W G > S+ 0 0 61 -3,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.753 80.8 71.2 -60.8 -23.1 46.8 43.7 61.5 31 31 A L G < S+ 0 0 2 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.551 78.1 81.6 -69.7 -6.8 44.4 45.3 64.0 32 32 A E G < S+ 0 0 41 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.671 75.9 78.8 -70.6 -17.7 46.5 43.4 66.7 33 33 A D X - 0 0 80 -3,-1.7 3,-0.8 1,-0.2 6,-0.2 -0.791 61.7-173.1 -95.4 104.2 49.0 46.3 66.5 34 34 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.794 79.8 55.8 -67.4 -22.2 47.5 49.1 68.6 35 35 A D T 3 S+ 0 0 83 4,-0.1 -2,-0.0 165,-0.0 166,-0.0 0.587 80.1 107.0 -88.2 -12.5 50.3 51.5 67.6 36 36 A S S <> S- 0 0 19 -3,-0.8 4,-2.3 -6,-0.2 5,-0.2 -0.259 73.3-127.1 -68.0 155.4 50.1 51.4 63.8 37 37 A E H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.870 112.0 57.6 -67.0 -33.1 48.7 54.3 61.7 38 38 A Q H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 109.3 42.6 -63.2 -45.1 46.3 51.7 60.1 39 39 A T H > S+ 0 0 4 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.911 113.7 50.9 -70.2 -41.5 44.8 50.7 63.5 40 40 A K H X S+ 0 0 102 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.887 111.0 49.7 -63.4 -35.6 44.6 54.3 64.8 41 41 A A H X S+ 0 0 57 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.868 108.7 53.4 -69.5 -36.9 42.8 55.2 61.6 42 42 A F H X S+ 0 0 9 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.936 109.6 46.7 -62.2 -49.4 40.4 52.3 62.0 43 43 A V H X S+ 0 0 30 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.934 112.8 50.2 -60.2 -47.3 39.4 53.3 65.5 44 44 A E H X S+ 0 0 135 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.933 110.9 48.8 -56.4 -48.0 39.0 57.0 64.4 45 45 A A H X S+ 0 0 32 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.868 112.8 48.4 -62.2 -37.3 36.7 55.9 61.5 46 46 A Q H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.1 0.947 111.6 47.0 -70.7 -47.5 34.6 53.7 63.7 47 47 A N H 3X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.871 103.6 66.3 -62.8 -31.1 34.1 56.3 66.5 48 48 A K H 3< S+ 0 0 161 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.781 111.4 32.3 -62.0 -29.6 33.2 58.8 63.7 49 49 A I H S+ 0 0 77 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.877 111.5 54.1 -60.6 -32.7 26.7 60.6 66.0 53 53 A F H X S+ 0 0 8 -4,-1.2 4,-0.5 1,-0.2 3,-0.5 0.933 111.1 44.0 -65.4 -43.3 24.4 57.6 66.0 54 54 A L H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 6,-0.2 0.843 117.4 45.8 -70.5 -33.5 24.3 57.5 69.8 55 55 A E H < S+ 0 0 111 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.500 90.2 85.3 -90.8 -2.5 23.8 61.2 70.2 56 56 A Q H < S+ 0 0 131 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.924 78.0 64.5 -66.1 -50.4 21.1 61.8 67.5 57 57 A C S >< S- 0 0 45 -4,-0.5 3,-2.0 -3,-0.2 4,-0.4 -0.669 80.5-133.9 -80.4 133.5 18.0 61.0 69.6 58 58 A P T 3> S+ 0 0 101 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.596 94.8 85.7 -58.8 -9.8 17.3 63.4 72.5 59 59 A I H 3> S+ 0 0 10 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.843 80.1 60.5 -64.1 -29.0 16.7 60.3 74.7 60 60 A R H <> S+ 0 0 18 -3,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.950 106.7 46.2 -63.1 -42.6 20.4 60.1 75.4 61 61 A G H > S+ 0 0 42 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.856 112.3 49.9 -67.9 -34.8 20.2 63.5 77.0 62 62 A L H X S+ 0 0 65 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.952 114.0 45.7 -67.9 -46.0 17.1 62.6 79.0 63 63 A Y H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.940 112.7 50.1 -61.2 -48.6 18.8 59.4 80.2 64 64 A K H X S+ 0 0 74 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.896 110.9 49.3 -57.6 -45.1 22.0 61.2 81.1 65 65 A E H X S+ 0 0 115 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.916 113.9 45.4 -61.9 -43.3 20.2 63.9 83.0 66 66 A R H X S+ 0 0 57 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.880 113.0 50.4 -69.0 -36.5 18.2 61.3 85.0 67 67 A M H X S+ 0 0 4 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.944 110.4 50.2 -66.0 -42.4 21.3 59.2 85.6 68 68 A T H < S+ 0 0 50 -4,-2.7 4,-0.4 -5,-0.2 -2,-0.2 0.864 115.3 43.9 -64.2 -37.1 23.2 62.3 86.9 69 69 A E H >< S+ 0 0 98 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.966 120.0 37.7 -73.0 -52.8 20.3 63.1 89.2 70 70 A L H 3< S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.804 112.6 55.4 -71.8 -33.7 19.6 59.7 90.6 71 71 A Y T 3< S+ 0 0 54 -4,-2.9 2,-1.9 -5,-0.3 -1,-0.2 0.637 85.7 95.1 -73.6 -13.5 23.2 58.5 90.8 72 72 A D < + 0 0 87 -3,-0.6 -1,-0.2 -4,-0.4 22,-0.1 -0.509 57.0 116.4 -80.6 76.4 23.8 61.6 92.9 73 73 A Y S S- 0 0 34 -2,-1.9 2,-0.2 20,-0.4 354,-0.1 -0.960 75.7 -85.9-139.2 152.2 23.4 60.0 96.4 74 74 A P - 0 0 48 0, 0.0 2,-0.6 0, 0.0 18,-0.2 -0.439 42.1-161.1 -62.4 126.3 25.9 59.6 99.2 75 75 A K E +B 91 0B 35 16,-2.7 16,-1.8 -2,-0.2 2,-0.3 -0.933 10.9 179.9-117.8 109.3 28.0 56.4 98.8 76 76 A Y E -B 90 0B 61 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.853 14.0-149.3-109.0 144.0 29.7 54.9 101.9 77 77 A S - 0 0 22 12,-2.4 2,-0.2 -2,-0.3 307,-0.1 -0.561 45.5 -68.7 -99.3 172.8 31.9 51.8 102.0 78 78 A a - 0 0 13 -2,-0.2 11,-0.2 10,-0.1 307,-0.1 -0.404 52.6-118.4 -67.5 129.5 32.2 49.5 105.1 79 79 A H - 0 0 10 -2,-0.2 2,-0.3 9,-0.1 9,-0.2 -0.349 35.8-173.7 -61.6 148.5 34.1 51.2 108.0 80 80 A F E -C 87 0B 23 7,-2.3 7,-3.2 314,-0.1 2,-0.4 -0.986 16.5-133.3-147.2 148.8 37.3 49.4 109.0 81 81 A K E +C 86 0B 63 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.889 19.2 177.5-108.3 137.6 39.8 49.8 111.8 82 82 A K E > -C 85 0B 51 3,-2.7 3,-1.8 -2,-0.4 53,-0.1 -0.962 66.5 -39.0-136.7 114.9 43.6 49.9 111.5 83 83 A G T 3 S- 0 0 27 -2,-0.4 53,-0.2 51,-0.4 52,-0.0 -0.437 124.5 -23.8 67.8-138.9 45.6 50.6 114.6 84 84 A K T 3 S+ 0 0 140 51,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.372 124.6 79.4 -88.0 8.4 43.8 53.2 116.8 85 85 A R E < -C 82 0B 15 -3,-1.8 -3,-2.7 51,-0.0 2,-0.4 -0.801 65.9-136.9-122.2 157.5 41.9 54.7 113.8 86 86 A Y E -CD 81 103B 20 17,-3.0 17,-2.1 -2,-0.3 2,-0.3 -0.853 21.3-171.1-106.6 146.7 38.8 54.0 111.7 87 87 A F E +CD 80 102B 0 -7,-3.2 -7,-2.3 -2,-0.4 2,-0.3 -0.930 9.7 165.5-134.8 155.7 38.8 54.4 107.9 88 88 A Y E - D 0 101B 25 13,-1.6 13,-3.1 -2,-0.3 2,-0.4 -0.961 32.2-119.5-164.9 151.2 36.1 54.3 105.2 89 89 A F E + D 0 100B 7 -2,-0.3 -12,-2.4 11,-0.2 2,-0.3 -0.808 35.4 176.1 -94.4 146.1 35.6 55.3 101.6 90 90 A Y E -BD 76 99B 42 9,-2.3 9,-3.0 -2,-0.4 2,-0.4 -0.994 20.9-166.8-153.6 141.1 33.0 57.9 100.7 91 91 A N E -B 75 0B 9 -16,-1.8 -16,-2.7 -2,-0.3 7,-0.1 -0.997 21.4-142.5-129.7 121.5 31.7 59.7 97.6 92 92 A T - 0 0 71 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.1 0.772 66.5 -79.3 -54.7 -27.7 29.5 62.7 98.2 93 93 A G S S+ 0 0 0 -19,-0.1 -20,-0.4 -18,-0.1 -1,-0.1 -0.236 116.5 27.7 162.3 -58.8 27.6 61.6 95.1 94 94 A L S S+ 0 0 60 -22,-0.1 593,-0.1 3,-0.0 -22,-0.1 0.130 74.6 134.3-118.2 15.6 29.2 62.5 91.8 95 95 A Q - 0 0 47 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.437 61.1-126.7 -64.1 146.3 32.9 62.7 92.6 96 96 A N S S+ 0 0 37 589,-0.2 590,-1.4 1,-0.2 2,-0.3 0.867 93.4 23.0 -62.5 -36.7 34.9 60.9 89.9 97 97 A Q S S- 0 0 21 588,-0.2 20,-0.2 589,-0.1 -1,-0.2 -0.978 88.1-111.4-131.3 141.9 36.7 58.7 92.5 98 98 A R - 0 0 122 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 -0.370 36.1-130.1 -69.3 152.6 35.6 57.8 96.1 99 99 A V E -D 90 0B 0 -9,-3.0 -9,-2.3 16,-0.1 2,-0.6 -0.844 7.5-127.1-110.1 142.6 37.7 59.4 98.8 100 100 A L E -DE 89 114B 1 14,-3.0 13,-3.1 -2,-0.3 14,-2.2 -0.821 29.9-169.2 -91.9 124.8 39.3 57.6 101.8 101 101 A Y E -DE 88 112B 36 -13,-3.1 -13,-1.6 -2,-0.6 2,-0.3 -0.727 6.0-159.1-110.7 158.1 38.5 59.2 105.2 102 102 A V E -DE 87 111B 2 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.962 8.3-179.6-136.8 148.4 39.9 58.7 108.6 103 103 A Q E -D 86 0B 14 -17,-2.1 -17,-3.0 -2,-0.3 7,-0.1 -0.985 31.5-133.4-147.4 146.0 38.7 59.3 112.1 104 104 A D S S- 0 0 89 5,-0.4 2,-0.3 -2,-0.3 6,-0.1 0.537 90.8 -2.2 -76.6 -6.6 40.3 58.7 115.5 105 105 A S S > S- 0 0 49 -19,-0.1 3,-1.0 3,-0.1 -1,-0.1 -0.942 80.6 -95.8-172.3 162.5 37.0 57.1 116.9 106 106 A L T 3 S+ 0 0 56 -2,-0.3 4,-0.1 1,-0.3 -21,-0.0 0.714 127.3 42.9 -63.3 -20.9 33.5 56.4 115.7 107 107 A E T 3 S+ 0 0 193 2,-0.1 -1,-0.3 -4,-0.0 2,-0.1 0.516 97.2 105.7-101.0 -3.2 32.3 59.6 117.4 108 108 A G S < S- 0 0 22 -3,-1.0 2,-0.2 1,-0.1 -3,-0.1 -0.379 82.8 -96.9 -82.7 152.3 35.2 61.6 116.1 109 109 A E - 0 0 182 -2,-0.1 -5,-0.4 1,-0.1 2,-0.2 -0.428 43.4-133.0 -65.3 127.1 35.2 64.2 113.3 110 110 A A - 0 0 32 -2,-0.2 2,-0.3 -7,-0.1 -7,-0.2 -0.550 22.0-166.6 -83.6 153.3 36.4 62.5 110.1 111 111 A R E -E 102 0B 97 -9,-2.5 -9,-2.5 -2,-0.2 2,-0.2 -0.947 32.7 -89.4-138.4 154.9 39.0 64.0 107.8 112 112 A V E +E 101 0B 77 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.498 41.2 171.4 -64.2 128.1 40.2 63.4 104.3 113 113 A F E S+ 0 0 13 -13,-3.1 2,-0.4 1,-0.3 -12,-0.2 0.775 71.2 5.2-104.0 -48.5 43.0 60.8 104.3 114 114 A L E -E 100 0B 21 -14,-2.2 -14,-3.0 0, 0.0 -1,-0.3 -0.948 61.0-174.2-145.1 116.7 43.5 60.1 100.6 115 115 A D > - 0 0 38 -2,-0.4 3,-1.1 -16,-0.2 4,-0.2 -0.887 4.1-174.4-113.1 102.9 41.6 62.0 97.8 116 116 A P G > S+ 0 0 6 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.711 74.2 78.8 -68.0 -21.8 42.4 60.5 94.3 117 117 A N G > S+ 0 0 30 1,-0.3 3,-1.0 -20,-0.2 6,-0.3 0.806 86.6 57.0 -58.4 -32.5 40.4 63.2 92.6 118 118 A I G < S+ 0 0 140 -3,-1.1 -1,-0.3 1,-0.2 3,-0.1 0.511 91.1 74.2 -78.7 -2.3 43.2 65.7 92.9 119 119 A L G < S+ 0 0 81 -3,-1.7 2,-0.3 6,-0.2 -1,-0.2 0.519 108.1 15.5 -86.0 -11.6 45.6 63.4 91.0 120 120 A S < - 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0 0 33 -78,-0.4 3,-2.2 -2,-0.2 4,-0.6 -0.966 36.7-100.5-144.1 156.5 9.5 39.4 72.8 545 545 A P G >4 S+ 0 0 51 0, 0.0 3,-1.6 0, 0.0 27,-0.3 0.891 121.2 52.0 -45.3 -50.5 12.5 38.9 70.5 546 546 A K G 34 S+ 0 0 143 1,-0.3 25,-0.1 25,-0.1 24,-0.0 0.630 114.9 43.5 -64.6 -13.4 12.3 42.3 68.9 547 547 A R G <4 S+ 0 0 81 -3,-2.2 -79,-2.1 -81,-0.1 2,-0.5 0.327 91.2 105.7-113.0 4.2 12.2 43.9 72.4 548 548 A L E << -b 468 0H 0 -3,-1.6 24,-2.7 -4,-0.6 25,-2.0 -0.766 43.6-173.9 -97.0 132.3 15.0 41.9 74.0 549 549 A T E -bc 469 573H 0 -81,-2.4 -79,-2.8 -2,-0.5 2,-0.4 -0.947 7.1-159.9-118.8 135.9 18.5 43.3 74.7 550 550 A I E -bc 470 574H 0 23,-2.0 25,-2.7 -2,-0.4 2,-0.3 -0.936 11.1-176.3-116.7 145.2 21.3 41.1 76.1 551 551 A N E +bc 471 575H 5 -81,-2.2 -79,-1.5 -2,-0.4 2,-0.3 -0.991 12.4 149.4-142.6 148.3 24.4 42.5 77.8 552 552 A G E - c 0 576H 0 23,-1.3 25,-2.6 -2,-0.3 2,-0.3 -0.942 25.0-141.1-171.1 154.1 27.6 41.1 79.3 553 553 A G E > - c 0 577H 13 -81,-0.3 3,-2.6 -2,-0.3 2,-0.3 -0.960 64.7 -17.5-130.1 147.6 31.2 42.2 79.9 554 554 A S T >> S+ 0 0 21 23,-2.4 4,-1.8 -2,-0.3 3,-1.3 -0.504 146.3 6.3 63.8-119.7 34.6 40.4 79.6 555 555 A N H 3> S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.3 -1,-0.3 0.802 137.5 56.2 -58.9 -27.2 33.7 36.7 79.7 556 556 A G H <> S+ 0 0 0 -3,-2.6 4,-2.2 2,-0.2 -1,-0.3 0.707 99.7 57.3 -74.9 -23.7 30.1 38.1 79.5 557 557 A G H <> S+ 0 0 0 -3,-1.3 4,-2.2 20,-0.2 -2,-0.2 0.895 106.8 48.6 -70.4 -41.8 31.1 40.0 76.3 558 558 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.942 109.2 56.4 -59.5 -45.7 32.0 36.6 74.8 559 559 A L H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.944 112.0 37.8 -50.6 -58.6 28.7 35.3 76.1 560 560 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.842 115.0 54.1 -68.2 -33.6 26.5 37.8 74.3 561 561 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.920 111.2 45.5 -65.4 -46.7 28.7 37.9 71.1 562 562 A T H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.922 110.8 54.1 -62.3 -42.4 28.4 34.1 70.7 563 563 A C H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.863 104.6 54.8 -61.3 -33.8 24.7 34.3 71.4 564 564 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.915 112.2 43.4 -64.8 -42.4 24.3 36.8 68.7 565 565 A N H < S+ 0 0 21 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.889 119.8 41.4 -69.1 -43.1 26.0 34.4 66.2 566 566 A Q H < S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.863 132.8 16.2 -74.8 -39.9 24.1 31.3 67.4 567 567 A R >X + 0 0 59 -4,-2.8 3,-2.3 -5,-0.2 4,-0.6 -0.402 63.9 156.1-135.0 63.6 20.6 32.7 67.8 568 568 A P G >4 S+ 0 0 17 0, 0.0 3,-0.6 0, 0.0 61,-0.1 0.792 76.3 63.6 -60.4 -21.6 20.4 36.1 66.0 569 569 A D G 34 S+ 0 0 67 1,-0.2 -5,-0.1 -3,-0.1 61,-0.0 0.603 95.5 59.4 -76.7 -13.1 16.6 35.5 65.8 570 570 A L G <4 S+ 0 0 8 -3,-2.3 2,-0.4 -7,-0.2 -1,-0.2 0.671 100.7 56.6 -92.2 -16.9 16.3 35.6 69.6 571 571 A F << - 0 0 8 -3,-0.6 -22,-0.2 -4,-0.6 -25,-0.1 -0.897 46.6-170.2-124.5 147.9 17.6 39.1 70.3 572 572 A G S S+ 0 0 10 -24,-2.7 60,-2.4 -2,-0.4 2,-0.3 0.795 83.7 15.3 -97.6 -33.2 16.8 42.6 69.2 573 573 A C E -cd 549 632H 0 -25,-2.0 -23,-2.0 58,-0.2 2,-0.4 -0.988 60.4-167.6-144.6 144.9 19.9 44.3 70.7 574 574 A V E -cd 550 633H 0 58,-2.0 60,-2.5 -2,-0.3 2,-0.6 -0.988 1.1-170.0-135.8 125.7 23.2 43.1 72.0 575 575 A I E -cd 551 634H 0 -25,-2.7 -23,-1.3 -2,-0.4 2,-0.6 -0.958 8.1-171.9-119.1 111.9 25.7 45.2 74.0 576 576 A A E -cd 552 635H 0 58,-2.2 60,-2.4 -2,-0.6 2,-0.4 -0.913 7.0-159.2-108.3 111.2 29.1 43.4 74.4 577 577 A Q E -cd 553 636H 32 -25,-2.6 -23,-2.4 -2,-0.6 -20,-0.2 -0.805 64.8 -29.1 -95.2 134.1 31.5 45.2 76.8 578 578 A V S S- 0 0 16 58,-3.3 -1,-0.2 -2,-0.4 -21,-0.2 0.754 90.7-179.8 31.2 52.1 35.2 44.5 76.7 579 579 A G - 0 0 0 57,-0.2 2,-0.8 -3,-0.2 -24,-0.2 -0.362 38.3-120.2 -88.9 152.8 34.7 41.0 75.4 580 580 A V + 0 0 1 -26,-0.9 3,-0.1 1,-0.2 -1,-0.1 -0.807 44.5 158.6 -83.9 109.5 37.1 38.2 74.5 581 581 A M + 0 0 0 -2,-0.8 36,-2.4 1,-0.2 2,-1.1 0.695 54.4 66.2-107.7 -30.4 36.2 37.6 70.8 582 582 A D >> + 0 0 0 1,-0.2 4,-1.5 34,-0.2 3,-0.7 -0.765 56.6 175.8 -97.2 94.1 39.2 35.9 69.3 583 583 A M T 34 S+ 0 0 0 -2,-1.1 19,-0.3 1,-0.2 -1,-0.2 0.567 76.1 57.9 -74.7 -7.4 39.2 32.5 71.1 584 584 A L T 34 S+ 0 0 0 17,-0.1 -1,-0.2 -3,-0.1 18,-0.2 0.712 118.5 27.3 -93.1 -20.2 42.1 31.2 69.1 585 585 A K T X4 S+ 0 0 19 -3,-0.7 3,-2.3 1,-0.1 4,-0.4 0.484 84.5 104.2-121.0 -0.7 44.5 34.0 70.1 586 586 A F G >< S+ 0 0 1 -4,-1.5 3,-1.0 1,-0.3 6,-0.2 0.793 77.4 61.2 -53.3 -33.9 43.4 35.3 73.5 587 587 A H G 3 S+ 0 0 23 1,-0.2 6,-0.4 -4,-0.1 -1,-0.3 0.632 90.7 69.9 -70.3 -14.6 46.3 33.5 75.3 588 588 A K G < S+ 0 0 90 -3,-2.3 -384,-0.4 4,-0.1 2,-0.3 0.677 89.9 71.4 -77.6 -17.5 49.0 35.5 73.4 589 589 A Y S X S- 0 0 21 -3,-1.0 3,-3.0 -4,-0.4 4,-0.3 -0.807 101.9 -53.6-112.6 149.1 48.3 38.8 75.0 590 590 A T T 3 S- 0 0 1 -388,-2.2 -385,-2.6 -2,-0.3 3,-0.4 -0.002 120.6 -14.6 30.4-112.8 48.9 40.4 78.5 591 591 A I T > S+ 0 0 11 51,-0.5 3,-2.0 52,-0.3 4,-0.3 0.243 102.1 113.3-101.4 14.7 47.3 38.1 81.1 592 592 A G G X + 0 0 0 -3,-3.0 3,-1.6 1,-0.3 4,-0.2 0.758 63.4 70.8 -56.3 -28.4 45.3 36.1 78.6 593 593 A H G > S+ 0 0 16 -6,-0.4 3,-1.1 -3,-0.4 -1,-0.3 0.784 87.6 66.2 -61.7 -25.1 47.3 33.0 79.3 594 594 A A G X S+ 0 0 7 -3,-2.0 -339,-0.9 1,-0.2 3,-0.7 0.720 91.2 63.7 -69.8 -20.6 45.7 32.8 82.7 595 595 A W G X> S+ 0 0 25 -3,-1.6 4,-2.1 -4,-0.3 3,-1.9 0.509 70.9 94.1 -84.8 -4.5 42.2 32.1 81.2 596 596 A T H <> S+ 0 0 31 -3,-1.1 4,-1.3 1,-0.3 -1,-0.2 0.667 73.9 68.1 -62.1 -18.4 43.1 28.7 79.6 597 597 A T H <4 S+ 0 0 30 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.707 111.7 33.2 -73.7 -19.4 41.8 26.9 82.7 598 598 A D H <4 S+ 0 0 0 -3,-1.9 -78,-2.9 2,-0.1 -2,-0.2 0.773 135.0 23.6-100.4 -36.9 38.3 28.1 81.7 599 599 A Y H < S- 0 0 2 -4,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.782 93.9-128.5-102.6 -31.5 38.6 28.1 77.9 600 600 A G < - 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