==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-02 1H2X . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR V.FULOP . 710 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 68.0 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 . 162 22.8 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 . 83 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 14.9 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 2 0 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 5 3 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 5 2 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 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 0 110 0, 0.0 2,-1.0 0, 0.0 667,-0.1 0.000 360.0 360.0 360.0 -42.6 18.3 54.3 60.0 2 2 A L + 0 0 51 665,-0.3 666,-0.0 1,-0.2 51,-0.0 -0.512 360.0 164.4 -68.3 99.5 22.0 53.7 59.0 3 3 A S + 0 0 96 -2,-1.0 2,-0.3 2,-0.1 -1,-0.2 -0.179 52.3 73.1-108.3 35.0 23.0 57.1 57.5 4 4 A F S S- 0 0 50 49,-0.0 2,-0.4 0, 0.0 45,-0.0 -0.888 74.6-121.6-139.7 170.0 26.7 56.4 57.6 5 5 A Q - 0 0 136 -2,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.946 28.7-116.2-117.4 137.1 29.3 54.3 55.8 6 6 A Y - 0 0 37 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.470 44.1 -99.5 -69.4 143.0 31.4 51.7 57.5 7 7 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.188 34.9-100.9 -62.2 153.1 35.2 52.6 57.3 8 8 A D - 0 0 151 -3,-0.1 2,-0.4 2,-0.0 37,-0.1 -0.627 43.9-175.2 -72.3 133.5 37.5 51.1 54.8 9 9 A V - 0 0 32 -2,-0.3 2,-0.0 -3,-0.1 -3,-0.0 -0.940 22.8-125.0-139.2 115.0 39.5 48.4 56.5 10 10 A Y - 0 0 165 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.309 17.1-146.5 -62.3 135.8 42.3 46.5 54.7 11 11 A R - 0 0 48 17,-0.1 2,-1.6 18,-0.0 17,-0.2 -0.918 1.9-151.6-106.0 114.9 42.1 42.8 54.6 12 12 A D > - 0 0 45 15,-2.8 3,-1.7 -2,-0.6 14,-0.2 -0.684 17.2-179.5 -85.1 88.7 45.4 40.9 54.7 13 13 A E T 3 S+ 0 0 107 -2,-1.6 -1,-0.2 1,-0.3 15,-0.1 0.491 74.5 65.3 -69.0 -3.1 44.3 37.9 52.8 14 14 A T T 3 S+ 0 0 112 13,-0.1 2,-2.1 1,-0.1 -1,-0.3 0.542 70.8 103.3 -93.8 -9.3 47.8 36.4 53.1 15 15 A A < + 0 0 22 -3,-1.7 11,-3.0 2,-0.0 2,-0.4 -0.514 49.2 150.1 -76.3 79.3 47.5 36.1 56.9 16 16 A I E -A 25 0A 94 -2,-2.1 2,-0.4 9,-0.2 9,-0.2 -0.951 22.1-176.4-118.2 133.3 46.8 32.3 57.0 17 17 A Q E -A 24 0A 78 7,-2.6 7,-3.0 -2,-0.4 2,-0.6 -0.984 22.0-131.2-131.2 139.5 47.8 30.0 59.8 18 18 A D E -A 23 0A 73 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.800 18.0-171.8 -92.7 123.1 47.5 26.3 60.2 19 19 A Y E > S-A 22 0A 14 3,-3.1 3,-2.6 -2,-0.6 584,-0.1 -0.924 75.0 -41.3-114.9 99.1 45.9 25.1 63.4 20 20 A H T 3 S- 0 0 70 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.840 124.5 -39.4 51.6 41.1 46.3 21.3 63.5 21 21 A G T 3 S+ 0 0 58 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.167 117.1 111.5 97.1 -19.4 45.4 20.9 59.8 22 22 A H E < -A 19 0A 89 -3,-2.6 -3,-3.1 2,-0.0 2,-0.5 -0.809 62.9-139.6 -93.8 120.7 42.7 23.6 59.9 23 23 A K E -A 18 0A 130 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.679 19.7-168.6 -81.1 124.9 43.6 26.7 57.9 24 24 A V E -A 17 0A 12 -7,-3.0 -7,-2.6 -2,-0.5 2,-0.4 -0.976 8.9-152.4-119.4 124.1 42.5 29.9 59.6 25 25 A C E -A 16 0A 72 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.807 10.7-176.3 -95.2 133.2 42.6 33.3 57.9 26 26 A D > + 0 0 13 -11,-3.0 3,-2.0 -2,-0.4 4,-0.2 -0.609 9.0 170.0-128.4 72.2 43.1 36.3 60.1 27 27 A P T 3 S+ 0 0 13 0, 0.0 -15,-2.8 0, 0.0 3,-0.3 0.650 78.1 49.4 -60.4 -17.0 42.8 39.3 57.7 28 28 A Y T > + 0 0 5 -17,-0.2 3,-2.3 1,-0.2 4,-0.2 0.101 70.0 120.3-109.9 22.7 42.7 41.9 60.4 29 29 A A G X + 0 0 18 -3,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.820 64.8 70.7 -55.0 -30.5 45.8 40.5 62.3 30 30 A W G > S+ 0 0 62 1,-0.3 3,-1.6 -3,-0.3 -1,-0.3 0.728 81.1 71.8 -62.4 -19.6 47.4 43.9 61.8 31 31 A L G < S+ 0 0 2 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.557 77.8 80.7 -73.9 -3.0 45.0 45.4 64.3 32 32 A E G < S+ 0 0 40 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.656 76.5 79.2 -74.9 -15.7 46.9 43.6 67.0 33 33 A D X - 0 0 79 -3,-1.6 3,-0.8 -4,-0.2 6,-0.3 -0.812 62.7-173.0 -94.5 105.7 49.5 46.4 66.8 34 34 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.720 79.0 55.5 -71.0 -17.7 48.0 49.2 68.9 35 35 A D T 3 S+ 0 0 80 -3,-0.1 166,-0.0 4,-0.1 -2,-0.0 0.583 80.2 107.2 -93.2 -10.6 50.7 51.7 67.9 36 36 A S S <> S- 0 0 18 -3,-0.8 4,-2.4 -6,-0.2 5,-0.2 -0.284 74.1-125.7 -70.0 155.5 50.6 51.5 64.1 37 37 A E H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 112.3 57.5 -64.8 -34.2 49.2 54.4 62.1 38 38 A Q H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 109.3 42.4 -62.8 -46.6 46.8 51.9 60.5 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.924 114.2 51.0 -69.6 -41.3 45.3 50.8 63.8 40 40 A K H X S+ 0 0 97 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.919 111.4 48.7 -62.5 -38.7 45.1 54.4 65.1 41 41 A A H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.881 109.4 53.4 -67.5 -35.9 43.3 55.4 61.9 42 42 A F H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.941 109.7 47.2 -62.7 -48.9 41.0 52.4 62.3 43 43 A V H X S+ 0 0 30 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.930 112.9 48.9 -60.2 -45.2 40.0 53.4 65.8 44 44 A E H X S+ 0 0 139 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.921 111.6 49.3 -61.2 -43.8 39.4 57.1 64.8 45 45 A A H X S+ 0 0 32 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.870 112.2 48.0 -64.6 -37.8 37.3 56.1 61.8 46 46 A Q H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.0 0.947 112.2 47.3 -70.2 -45.7 35.2 53.7 63.9 47 47 A N H 3X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.857 103.3 66.3 -63.2 -31.3 34.6 56.3 66.7 48 48 A K H 3< S+ 0 0 162 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.808 110.8 33.2 -60.8 -33.0 33.8 58.8 64.0 49 49 A I H S+ 0 0 76 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.885 111.7 55.1 -63.3 -31.4 27.1 60.6 66.1 53 53 A F H < S+ 0 0 5 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.931 112.8 41.4 -64.8 -42.2 25.0 57.5 66.0 54 54 A L H < S+ 0 0 3 -4,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.809 120.5 43.4 -74.0 -29.6 24.8 57.4 69.8 55 55 A E H < S+ 0 0 107 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.591 89.8 84.0 -96.3 -9.0 24.3 61.2 70.2 56 56 A Q S < S+ 0 0 119 -4,-1.8 -1,-0.1 -5,-0.2 -2,-0.1 0.902 80.6 68.0 -59.9 -48.0 21.8 61.9 67.4 57 57 A C S > S- 0 0 34 -4,-0.5 3,-1.2 -3,-0.1 4,-0.5 -0.542 83.1-130.8 -76.8 141.2 18.7 61.0 69.4 58 58 A P T >> S+ 0 0 106 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.740 96.0 82.0 -62.7 -19.2 17.7 63.3 72.4 59 59 A I H 3> S+ 0 0 14 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.828 81.1 60.3 -59.8 -32.2 17.4 60.2 74.6 60 60 A R H <> S+ 0 0 20 -3,-1.2 4,-2.8 -6,-0.2 -1,-0.2 0.937 108.9 44.4 -61.2 -42.7 21.1 60.0 75.3 61 61 A G H <> S+ 0 0 43 -3,-0.5 4,-2.4 -4,-0.5 -1,-0.2 0.873 113.7 50.1 -67.0 -38.7 21.0 63.4 76.9 62 62 A L H X S+ 0 0 60 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 113.5 45.7 -65.1 -44.0 17.8 62.6 78.8 63 63 A Y H X S+ 0 0 1 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.944 112.6 50.6 -64.3 -46.8 19.4 59.4 80.1 64 64 A K H X S+ 0 0 73 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.903 110.8 48.7 -59.2 -43.0 22.6 61.2 81.0 65 65 A E H X S+ 0 0 113 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.934 114.3 45.8 -63.2 -44.2 20.8 63.9 82.9 66 66 A R H X S+ 0 0 54 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.892 112.8 49.9 -67.2 -39.3 18.7 61.4 84.8 67 67 A M H X S+ 0 0 4 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.930 109.7 51.7 -65.2 -42.2 21.7 59.2 85.5 68 68 A T H < S+ 0 0 47 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.862 114.5 43.8 -63.3 -34.6 23.6 62.2 86.8 69 69 A E H >< S+ 0 0 97 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.966 120.1 38.0 -74.6 -52.6 20.7 63.1 89.1 70 70 A L H 3< S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.797 112.8 54.8 -71.5 -33.8 20.0 59.6 90.4 71 71 A Y T 3< S+ 0 0 51 -4,-2.8 2,-1.9 -5,-0.3 -1,-0.2 0.655 85.3 95.5 -74.0 -14.1 23.5 58.4 90.7 72 72 A D < + 0 0 87 -3,-0.6 -1,-0.1 -4,-0.4 22,-0.1 -0.569 57.1 118.2 -79.2 78.5 24.2 61.5 92.8 73 73 A Y S S- 0 0 33 -2,-1.9 2,-0.2 20,-0.4 354,-0.1 -0.980 74.8 -87.5-140.8 149.1 23.7 59.9 96.3 74 74 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.422 41.9-162.2 -61.4 127.3 26.2 59.4 99.2 75 75 A K E +B 91 0B 38 16,-2.6 16,-2.1 -2,-0.2 2,-0.3 -0.953 11.6 178.8-118.1 114.0 28.2 56.2 98.8 76 76 A Y E -B 90 0B 41 -2,-0.5 2,-0.2 14,-0.2 14,-0.2 -0.832 17.6-149.6-115.0 151.6 29.9 54.8 101.8 77 77 A S - 0 0 13 12,-2.2 307,-0.1 -2,-0.3 3,-0.1 -0.643 45.1 -78.1-105.5 168.8 32.1 51.7 102.4 78 78 A C - 0 0 9 -2,-0.2 11,-0.3 1,-0.1 2,-0.2 -0.351 48.5-110.1 -64.2 150.7 32.2 49.9 105.8 79 79 A H - 0 0 13 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.504 37.8-171.1 -74.2 151.3 34.3 51.4 108.5 80 80 A F E -C 87 0B 21 7,-2.2 7,-2.5 -2,-0.2 2,-0.4 -0.987 15.2-133.0-146.5 139.9 37.4 49.4 109.3 81 81 A K E +C 86 0B 70 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.809 20.0 178.9 -99.4 137.0 39.8 49.9 112.1 82 82 A K E > -C 85 0B 53 3,-2.7 3,-2.0 -2,-0.4 53,-0.1 -0.980 66.8 -41.5-134.7 116.0 43.6 49.9 111.7 83 83 A G T 3 S- 0 0 25 -2,-0.4 53,-0.2 51,-0.4 52,-0.0 -0.369 124.5 -21.2 64.5-132.9 45.6 50.5 114.9 84 84 A K T 3 S+ 0 0 125 51,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.302 124.2 76.2 -92.8 11.4 43.9 53.2 116.9 85 85 A R E < -C 82 0B 16 -3,-2.0 -3,-2.7 51,-0.0 2,-0.3 -0.870 66.6-135.0-127.0 156.9 42.0 54.8 114.0 86 86 A Y E -CD 81 103B 23 17,-3.0 17,-2.2 -2,-0.3 2,-0.3 -0.808 21.9-171.2-104.3 148.6 38.9 54.1 111.9 87 87 A F E +CD 80 102B 0 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.3 -0.944 9.2 166.3-136.3 154.2 38.8 54.4 108.1 88 88 A Y E - D 0 101B 25 13,-1.6 13,-3.2 -2,-0.3 2,-0.3 -0.954 31.7-119.5-164.3 151.6 36.1 54.4 105.4 89 89 A F E + D 0 100B 7 -11,-0.3 -12,-2.2 -2,-0.3 2,-0.3 -0.772 34.3 176.1 -94.0 146.2 35.7 55.2 101.8 90 90 A Y E -BD 76 99B 44 9,-2.4 9,-2.9 -2,-0.3 2,-0.5 -0.986 21.1-167.6-156.2 133.7 33.1 57.8 100.9 91 91 A N E -B 75 0B 8 -16,-2.1 -16,-2.6 -2,-0.3 7,-0.1 -0.999 21.1-144.2-121.0 121.4 32.0 59.5 97.7 92 92 A T - 0 0 67 -2,-0.5 -1,-0.1 -18,-0.2 -16,-0.1 0.731 65.0 -80.6 -58.2 -21.5 29.7 62.5 98.3 93 93 A G S S+ 0 0 0 -18,-0.1 -20,-0.4 -19,-0.1 -1,-0.1 -0.223 115.6 28.4 156.4 -57.9 27.9 61.5 95.1 94 94 A L S S+ 0 0 61 -22,-0.1 593,-0.1 3,-0.0 -22,-0.1 0.181 75.2 132.2-120.6 15.0 29.5 62.5 91.9 95 95 A Q - 0 0 48 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.412 63.1-125.2 -64.7 145.9 33.2 62.7 92.7 96 96 A N S S+ 0 0 35 1,-0.2 590,-1.6 589,-0.1 2,-0.3 0.867 93.6 21.2 -61.6 -37.0 35.2 60.8 90.1 97 97 A Q S S- 0 0 21 588,-0.2 20,-0.2 589,-0.1 -1,-0.2 -0.983 88.6-109.9-132.9 142.9 36.9 58.6 92.7 98 98 A R - 0 0 126 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 -0.359 36.4-127.2 -69.8 152.6 35.8 57.8 96.2 99 99 A V E -D 90 0B 0 -9,-2.9 -9,-2.4 16,-0.1 2,-0.6 -0.815 7.2-129.4-107.7 142.5 37.8 59.3 99.0 100 100 A L E -DE 89 114B 1 14,-2.8 13,-3.1 -2,-0.3 14,-2.2 -0.832 29.7-168.4 -92.9 123.1 39.5 57.5 102.0 101 101 A Y E -DE 88 112B 35 -13,-3.2 -13,-1.6 -2,-0.6 2,-0.3 -0.766 7.1-158.0-109.9 158.2 38.7 59.1 105.3 102 102 A V E +DE 87 111B 2 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.957 10.0 176.9-136.0 145.8 40.1 58.7 108.8 103 103 A Q E -D 86 0B 11 -17,-2.2 -17,-3.0 -2,-0.3 7,-0.1 -0.982 32.3-134.6-147.3 148.7 38.8 59.3 112.3 104 104 A D S S+ 0 0 94 5,-0.4 2,-0.3 -2,-0.3 6,-0.1 0.531 91.0 3.4 -81.2 -6.7 40.2 58.7 115.7 105 105 A S S > S- 0 0 48 -19,-0.1 3,-0.9 4,-0.1 -1,-0.2 -0.949 78.9-102.3-169.1 159.3 36.9 57.3 117.0 106 106 A L T 3 S+ 0 0 49 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.779 126.5 42.7 -60.3 -29.2 33.4 56.4 115.7 107 107 A E T 3 S+ 0 0 193 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.529 99.7 104.5 -97.1 -1.5 32.1 59.6 117.3 108 108 A G S < S- 0 0 24 -3,-0.9 2,-0.2 1,-0.1 -3,-0.0 -0.291 82.6 -92.7 -79.9 160.1 35.1 61.6 116.2 109 109 A E - 0 0 173 1,-0.1 -5,-0.4 -2,-0.1 2,-0.2 -0.497 43.1-134.7 -71.7 129.6 35.3 64.1 113.3 110 110 A A - 0 0 30 -2,-0.2 2,-0.3 -7,-0.1 -7,-0.2 -0.578 21.0-168.3 -87.0 150.8 36.5 62.5 110.1 111 111 A R E -E 102 0B 94 -9,-2.5 -9,-2.5 -2,-0.2 2,-0.2 -0.954 33.5 -89.9-137.0 154.1 39.1 64.0 107.9 112 112 A V E +E 101 0B 79 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.471 41.2 171.7 -64.3 129.8 40.3 63.3 104.4 113 113 A F E S+ 0 0 12 -13,-3.1 2,-0.3 1,-0.3 -12,-0.2 0.749 71.5 5.9-105.4 -48.5 43.1 60.8 104.4 114 114 A L E -E 100 0B 14 -14,-2.2 -14,-2.8 -12,-0.0 -1,-0.3 -0.907 61.3-175.7-143.8 115.0 43.6 60.0 100.7 115 115 A D > - 0 0 39 -2,-0.3 3,-1.3 -16,-0.2 4,-0.2 -0.864 4.3-174.8-112.1 99.3 41.8 61.9 98.0 116 116 A P G > S+ 0 0 4 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.744 74.0 79.1 -66.4 -17.8 42.6 60.4 94.5 117 117 A N G > S+ 0 0 31 1,-0.3 3,-1.0 -20,-0.2 6,-0.3 0.793 86.3 57.0 -61.2 -29.8 40.6 63.2 92.8 118 118 A I G < S+ 0 0 142 -3,-1.3 -1,-0.3 1,-0.2 3,-0.1 0.576 92.0 73.2 -80.3 -2.7 43.4 65.7 93.2 119 119 A L G < S+ 0 0 82 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.615 109.3 14.5 -85.1 -11.0 45.8 63.3 91.3 120 120 A S X - 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0 0 36 -78,-0.4 3,-2.0 -2,-0.2 4,-0.5 -0.949 38.4-100.9-139.5 157.5 10.1 39.5 72.5 545 545 A P G >4 S+ 0 0 48 0, 0.0 3,-1.6 0, 0.0 27,-0.5 0.885 120.4 53.6 -48.1 -49.0 13.2 39.0 70.3 546 546 A K G 34 S+ 0 0 130 1,-0.3 25,-0.1 25,-0.1 24,-0.0 0.679 114.2 42.9 -64.7 -15.3 13.0 42.4 68.7 547 547 A R G <4 S+ 0 0 82 -3,-2.0 -79,-2.2 -83,-0.1 2,-0.5 0.326 92.7 105.2-110.0 3.7 12.8 44.1 72.1 548 548 A L E << -b 468 0I 0 -3,-1.6 24,-2.6 -4,-0.5 25,-2.0 -0.768 45.1-173.4 -95.6 129.1 15.5 42.0 73.8 549 549 A T E -bc 469 573I 1 -81,-2.6 -79,-2.9 -2,-0.5 2,-0.4 -0.943 6.7-160.0-116.7 135.1 19.0 43.3 74.6 550 550 A I E -bc 470 574I 0 23,-2.2 25,-2.6 -2,-0.4 2,-0.3 -0.916 11.3-176.9-114.6 147.7 21.8 41.1 76.0 551 551 A N E +bc 471 575I 6 -81,-2.2 -79,-1.4 -2,-0.4 2,-0.3 -0.996 11.8 152.7-145.7 145.4 24.9 42.5 77.7 552 552 A G E - c 0 576I 0 23,-1.4 25,-2.7 -2,-0.3 2,-0.4 -0.949 25.2-139.6-164.6 157.5 28.0 41.1 79.2 553 553 A G E > - c 0 577I 14 -81,-0.3 3,-2.8 -2,-0.3 2,-0.4 -0.971 65.5 -21.0-129.7 143.5 31.6 42.2 79.9 554 554 A S T >> S+ 0 0 23 23,-2.5 4,-1.8 -2,-0.4 26,-1.1 -0.461 146.7 7.0 64.8-117.7 34.9 40.5 79.6 555 555 A N H 3> S+ 0 0 1 -2,-0.4 4,-1.9 1,-0.3 -1,-0.3 0.816 136.7 56.8 -61.7 -24.6 34.1 36.7 79.6 556 556 A G H <> S+ 0 0 0 -3,-2.8 4,-2.1 2,-0.2 -2,-0.3 0.712 100.2 56.1 -74.5 -25.4 30.6 38.1 79.5 557 557 A G H <> S+ 0 0 0 -3,-1.0 4,-2.2 20,-0.3 -2,-0.2 0.872 106.6 49.5 -70.2 -40.9 31.5 40.0 76.3 558 558 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.918 108.8 56.2 -59.8 -45.2 32.5 36.6 74.8 559 559 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.954 111.9 37.8 -52.4 -57.3 29.1 35.3 76.0 560 560 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.851 115.0 53.5 -70.8 -31.3 27.0 37.8 74.2 561 561 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.919 111.1 47.3 -67.5 -40.7 29.1 38.0 71.1 562 562 A T H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.924 110.0 52.9 -66.4 -41.1 28.9 34.2 70.8 563 563 A C H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.878 105.3 55.3 -63.9 -32.5 25.2 34.3 71.3 564 564 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.1 42.6 -65.0 -42.2 24.8 36.9 68.5 565 565 A N H < S+ 0 0 22 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.891 120.7 41.5 -68.8 -43.7 26.6 34.5 66.1 566 566 A Q H < S+ 0 0 57 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.839 132.7 16.0 -75.9 -37.9 24.7 31.4 67.3 567 567 A R >X + 0 0 63 -4,-2.9 3,-2.2 -5,-0.2 4,-0.5 -0.428 63.8 156.9-136.2 64.5 21.2 32.8 67.7 568 568 A P G >4 S+ 0 0 16 0, 0.0 3,-0.7 0, 0.0 61,-0.1 0.812 76.0 63.6 -60.1 -24.4 21.0 36.2 65.8 569 569 A D G 34 S+ 0 0 67 1,-0.2 -5,-0.1 -3,-0.1 -23,-0.1 0.589 95.0 60.3 -73.2 -13.3 17.2 35.6 65.6 570 570 A L G <4 S+ 0 0 9 -3,-2.2 2,-0.4 -7,-0.2 -1,-0.2 0.675 100.2 55.2 -92.1 -15.0 16.8 35.7 69.4 571 571 A F << - 0 0 9 -3,-0.7 -22,-0.2 -4,-0.5 -25,-0.1 -0.917 46.8-168.5-127.5 146.6 18.1 39.2 70.1 572 572 A G S S+ 0 0 10 -24,-2.6 60,-2.4 -27,-0.5 2,-0.3 0.799 83.9 16.5 -95.6 -31.5 17.4 42.7 69.0 573 573 A C E -cd 549 632I 0 -25,-2.0 -23,-2.2 58,-0.2 2,-0.4 -0.998 59.3-166.3-146.4 143.3 20.5 44.3 70.5 574 574 A V E -cd 550 633I 0 58,-2.5 60,-2.5 -2,-0.3 2,-0.6 -0.997 0.9-172.3-133.8 124.7 23.8 43.1 71.9 575 575 A I E -cd 551 634I 0 -25,-2.6 -23,-1.4 -2,-0.4 2,-0.6 -0.957 8.2-173.4-118.8 109.5 26.2 45.2 73.9 576 576 A A E -cd 552 635I 0 58,-2.2 60,-2.3 -2,-0.6 2,-0.4 -0.915 7.8-159.0-107.2 113.9 29.5 43.4 74.5 577 577 A Q E -cd 553 636I 32 -25,-2.7 -23,-2.5 -2,-0.6 -20,-0.3 -0.791 65.6 -26.9 -98.2 134.0 31.9 45.2 76.8 578 578 A V S S- 0 0 17 58,-3.4 -1,-0.2 -2,-0.4 -21,-0.2 0.750 91.6-178.0 32.8 51.9 35.7 44.6 76.8 579 579 A G - 0 0 0 -3,-0.3 2,-0.8 57,-0.2 -24,-0.2 -0.416 37.1-121.6 -86.6 150.8 35.1 41.1 75.5 580 580 A V + 0 0 1 -26,-1.1 3,-0.1 1,-0.2 -1,-0.1 -0.768 44.4 158.6 -85.3 113.3 37.5 38.2 74.6 581 581 A M + 0 0 0 -2,-0.8 36,-2.4 1,-0.2 2,-1.0 0.699 53.4 64.9-110.4 -31.6 36.7 37.7 70.9 582 582 A D >> + 0 0 0 34,-0.2 4,-1.4 1,-0.2 3,-0.6 -0.794 55.8 175.9 -98.1 96.1 39.7 35.9 69.5 583 583 A M T 34 S+ 0 0 0 -2,-1.0 19,-0.3 1,-0.2 4,-0.2 0.602 75.7 59.9 -77.1 -8.8 39.7 32.6 71.3 584 584 A L T 34 S+ 0 0 0 1,-0.1 -1,-0.2 17,-0.1 18,-0.2 0.738 118.9 24.4 -88.8 -22.6 42.6 31.3 69.2 585 585 A K T X4 S+ 0 0 17 -3,-0.6 3,-2.4 1,-0.1 4,-0.4 0.453 85.5 105.9-122.5 1.2 45.0 34.0 70.3 586 586 A F G >< S+ 0 0 1 -4,-1.4 3,-1.0 1,-0.3 6,-0.2 0.802 76.9 61.3 -53.4 -33.7 43.8 35.3 73.7 587 587 A H G 3 S+ 0 0 26 1,-0.2 6,-0.3 -4,-0.2 -1,-0.3 0.610 91.0 70.1 -70.4 -12.5 46.6 33.5 75.5 588 588 A K G < S+ 0 0 90 -3,-2.4 -384,-0.4 4,-0.1 2,-0.3 0.709 88.7 71.8 -80.3 -17.1 49.3 35.5 73.7 589 589 A Y S X S- 0 0 20 -3,-1.0 3,-2.8 -4,-0.4 4,-0.3 -0.756 102.0 -53.6-113.0 148.7 48.7 38.8 75.3 590 590 A T T 3 S- 0 0 1 -388,-2.0 -385,-2.4 -2,-0.3 3,-0.4 0.043 120.3 -14.7 31.6-111.6 49.2 40.3 78.8 591 591 A I T > S+ 0 0 9 51,-0.6 3,-2.2 52,-0.3 4,-0.3 0.329 102.8 111.2-101.9 11.5 47.6 38.1 81.4 592 592 A G G X + 0 0 0 -3,-2.8 3,-1.6 1,-0.3 4,-0.3 0.736 61.9 74.6 -57.0 -25.7 45.5 36.1 78.9 593 593 A H G > S+ 0 0 15 -3,-0.4 3,-1.1 -4,-0.3 -1,-0.3 0.814 87.3 64.0 -59.6 -24.2 47.6 33.0 79.5 594 594 A A G X S+ 0 0 7 -3,-2.2 -339,-1.0 1,-0.2 3,-0.9 0.732 89.9 66.0 -72.9 -19.2 45.8 32.7 82.8 595 595 A W G X> S+ 0 0 24 -3,-1.6 4,-2.2 -4,-0.3 3,-1.9 0.541 71.2 92.3 -83.0 -3.8 42.4 32.1 81.2 596 596 A T H <> S+ 0 0 29 -3,-1.1 4,-1.6 -4,-0.3 -1,-0.2 0.718 74.1 69.1 -63.1 -19.1 43.4 28.7 79.7 597 597 A T H <4 S+ 0 0 27 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.754 111.4 31.6 -70.2 -24.2 42.0 27.0 82.8 598 598 A D H <4 S+ 0 0 0 -3,-1.9 -78,-3.3 2,-0.1 -2,-0.2 0.792 136.1 24.0 -97.4 -37.3 38.5 28.1 81.7 599 599 A Y H < S- 0 0 2 -4,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.761 93.9-130.8-101.6 -29.0 38.9 28.0 77.9 600 600 A G < - 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