==== 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/HYDROLASE INHIBITOR 27-SEP-00 1E8M . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR V.FULOP . 711 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 67.7 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 . 159 22.4 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 . 5 0.7 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 . 80 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 15.0 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 . 0 2 5 4 3 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 6 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 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 0 136 0, 0.0 2,-1.4 0, 0.0 667,-0.1 0.000 360.0 360.0 360.0 -44.4 18.0 55.0 60.4 2 2 A L + 0 0 58 665,-0.2 666,-0.0 1,-0.2 51,-0.0 -0.579 360.0 155.5 -80.6 90.7 21.5 54.1 59.1 3 3 A S + 0 0 114 -2,-1.4 2,-0.3 2,-0.1 -1,-0.2 0.111 51.6 83.0 -99.1 16.7 22.7 57.3 57.4 4 4 A F - 0 0 38 45,-0.0 2,-0.4 49,-0.0 45,-0.0 -0.749 69.3-134.4-116.8 166.5 26.4 56.5 57.9 5 5 A Q - 0 0 175 -2,-0.3 -2,-0.1 0, 0.0 44,-0.0 -0.954 26.4-110.9-123.0 139.5 28.8 54.3 55.9 6 6 A Y - 0 0 52 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.477 41.7-103.9 -68.4 140.2 31.2 51.8 57.4 7 7 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.209 34.1-100.3 -62.5 153.6 34.9 52.7 57.2 8 8 A D - 0 0 166 1,-0.0 2,-0.4 2,-0.0 37,-0.1 -0.568 43.5-176.1 -72.3 132.9 37.3 51.1 54.7 9 9 A V - 0 0 30 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.945 23.2-125.1-138.8 114.7 39.3 48.4 56.5 10 10 A Y - 0 0 165 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.324 16.9-145.1 -62.6 138.1 42.1 46.6 54.7 11 11 A R - 0 0 54 17,-0.1 2,-1.6 -2,-0.1 17,-0.2 -0.907 2.2-150.1-107.4 117.0 41.9 42.8 54.6 12 12 A D > - 0 0 45 15,-2.9 3,-1.7 -2,-0.6 14,-0.3 -0.665 18.1-179.8 -85.6 90.9 45.3 41.0 54.7 13 13 A E T 3 S+ 0 0 127 -2,-1.6 -1,-0.2 1,-0.3 15,-0.1 0.576 74.4 65.5 -71.2 -3.2 44.2 37.9 52.8 14 14 A T T 3 S+ 0 0 117 13,-0.1 2,-1.8 1,-0.1 -1,-0.3 0.520 71.8 104.3 -93.7 -7.5 47.7 36.4 53.1 15 15 A A < + 0 0 21 -3,-1.7 11,-2.8 2,-0.0 2,-0.4 -0.566 47.5 149.3 -78.7 85.7 47.3 36.1 56.9 16 16 A I E -A 25 0A 73 -2,-1.8 2,-0.4 9,-0.2 9,-0.2 -0.977 22.3-176.8-123.5 132.4 46.7 32.4 57.1 17 17 A Q E -A 24 0A 81 7,-2.6 7,-3.2 -2,-0.4 2,-0.6 -0.959 22.0-131.8-128.3 142.7 47.7 30.1 60.0 18 18 A D E -A 23 0A 73 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.848 16.4-169.5 -97.4 124.0 47.4 26.4 60.3 19 19 A Y E > S-A 22 0A 14 3,-3.4 3,-2.4 -2,-0.6 584,-0.1 -0.900 75.6 -41.7-112.6 95.8 45.8 25.1 63.5 20 20 A H T 3 S- 0 0 72 -2,-0.7 3,-0.1 1,-0.3 -1,-0.1 0.862 124.0 -40.1 54.2 41.5 46.3 21.3 63.5 21 21 A G T 3 S+ 0 0 59 1,-0.3 2,-0.7 0, 0.0 -1,-0.3 0.213 117.4 113.9 94.7 -17.3 45.4 21.0 59.9 22 22 A H E < -A 19 0A 81 -3,-2.4 -3,-3.4 2,-0.0 2,-0.4 -0.811 62.1-142.1 -90.7 116.4 42.6 23.6 60.1 23 23 A K E -A 18 0A 134 -2,-0.7 2,-0.5 -5,-0.2 -5,-0.2 -0.683 18.2-167.9 -82.6 127.6 43.5 26.7 58.0 24 24 A V E -A 17 0A 12 -7,-3.2 -7,-2.6 -2,-0.4 2,-0.4 -0.977 9.1-152.3-121.1 122.8 42.5 29.9 59.7 25 25 A C E -A 16 0A 78 -2,-0.5 -9,-0.2 -9,-0.2 -12,-0.1 -0.768 10.8-176.7 -90.8 137.2 42.5 33.3 57.9 26 26 A D > + 0 0 19 -11,-2.8 3,-2.0 -2,-0.4 4,-0.2 -0.586 8.2 170.7-133.8 71.7 43.0 36.4 60.1 27 27 A P T 3 S+ 0 0 16 0, 0.0 -15,-2.9 0, 0.0 3,-0.3 0.648 78.2 49.1 -58.4 -17.9 42.7 39.3 57.7 28 28 A Y T > + 0 0 4 -17,-0.2 3,-2.2 1,-0.2 4,-0.2 0.082 69.6 121.2-110.7 22.3 42.6 41.9 60.5 29 29 A A G X + 0 0 19 -3,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.806 64.7 70.9 -54.2 -30.3 45.6 40.6 62.3 30 30 A W G > S+ 0 0 63 1,-0.3 3,-1.6 -3,-0.3 -1,-0.3 0.728 80.6 71.9 -62.8 -19.6 47.2 44.0 61.8 31 31 A L G < S+ 0 0 2 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.560 77.7 81.5 -72.6 -4.9 44.8 45.5 64.3 32 32 A E G < S+ 0 0 37 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.649 76.2 79.0 -72.8 -15.1 46.8 43.6 67.0 33 33 A D X - 0 0 79 -3,-1.6 3,-1.0 1,-0.2 6,-0.3 -0.814 62.3-172.7 -96.8 104.2 49.4 46.5 66.9 34 34 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.726 79.4 55.7 -67.9 -18.6 47.9 49.4 68.9 35 35 A D T 3 S+ 0 0 79 4,-0.1 2,-0.1 5,-0.0 166,-0.0 0.552 79.5 106.5 -94.6 -7.9 50.6 51.8 67.9 36 36 A S S <> S- 0 0 18 -3,-1.0 4,-2.5 -6,-0.2 5,-0.2 -0.342 73.8-125.9 -72.9 153.8 50.5 51.7 64.1 37 37 A E H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.858 112.7 57.4 -62.7 -32.4 49.0 54.6 62.1 38 38 A Q H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 109.0 43.1 -64.9 -46.0 46.7 52.0 60.5 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.924 114.4 49.8 -68.3 -42.7 45.2 50.9 63.8 40 40 A K H X S+ 0 0 101 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.921 111.3 49.5 -61.7 -40.8 44.9 54.5 65.1 41 41 A A H X S+ 0 0 59 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.893 109.1 53.4 -65.4 -36.9 43.2 55.5 61.9 42 42 A F H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.945 109.9 46.7 -61.8 -50.1 40.8 52.5 62.2 43 43 A V H X S+ 0 0 31 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.941 112.8 49.8 -59.6 -45.3 39.8 53.6 65.8 44 44 A E H X S+ 0 0 138 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.938 111.6 48.4 -59.3 -46.4 39.3 57.2 64.7 45 45 A A H X S+ 0 0 34 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.846 112.2 48.7 -64.1 -36.8 37.1 56.2 61.8 46 46 A Q H >X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 3,-0.8 0.941 112.2 46.9 -70.5 -46.9 35.0 53.9 63.9 47 47 A N H 3X S+ 0 0 32 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.858 103.5 66.6 -62.3 -32.2 34.4 56.4 66.6 48 48 A K H 3< S+ 0 0 149 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.831 110.5 33.0 -59.8 -34.3 33.6 59.0 63.9 49 49 A I H S+ 0 0 69 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.884 110.8 55.3 -65.8 -32.5 26.9 60.8 66.1 53 53 A F H < S+ 0 0 8 -4,-1.2 4,-0.4 1,-0.2 -2,-0.2 0.916 112.9 41.8 -62.7 -40.6 24.8 57.7 66.0 54 54 A L H < S+ 0 0 6 -4,-2.2 6,-0.2 1,-0.2 -1,-0.2 0.777 119.2 43.6 -75.9 -29.9 24.6 57.6 69.8 55 55 A E H < S+ 0 0 115 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.527 89.9 86.4 -95.7 -8.6 24.1 61.4 70.2 56 56 A Q S < S+ 0 0 132 -4,-1.5 -1,-0.1 -5,-0.2 -2,-0.1 0.918 79.8 64.5 -58.1 -50.8 21.6 62.0 67.5 57 57 A C S > S- 0 0 41 -4,-0.4 3,-1.4 1,-0.1 4,-0.5 -0.553 83.9-127.2 -81.5 141.5 18.5 61.3 69.5 58 58 A P T 3> S+ 0 0 105 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.731 97.8 83.1 -56.0 -22.7 17.5 63.4 72.6 59 59 A I H 3> S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.836 82.0 57.9 -56.7 -35.2 17.3 60.2 74.6 60 60 A R H <> S+ 0 0 21 -3,-1.4 4,-2.9 -6,-0.2 -1,-0.2 0.950 110.3 43.3 -62.0 -45.3 21.0 60.1 75.3 61 61 A G H > S+ 0 0 43 -4,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.876 114.4 50.6 -66.2 -37.5 20.9 63.6 77.0 62 62 A L H X S+ 0 0 63 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.916 113.2 45.7 -65.4 -45.6 17.7 62.7 78.8 63 63 A Y H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.946 113.0 50.4 -62.6 -47.6 19.2 59.5 80.1 64 64 A K H X S+ 0 0 73 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.880 110.5 49.1 -58.2 -41.6 22.5 61.3 81.1 65 65 A E H X S+ 0 0 118 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.948 113.8 45.8 -65.5 -45.0 20.7 64.0 83.0 66 66 A R H X S+ 0 0 57 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.891 113.0 50.1 -65.9 -39.6 18.6 61.5 84.9 67 67 A M H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.908 109.7 51.4 -64.9 -41.2 21.6 59.4 85.6 68 68 A T H < S+ 0 0 49 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.903 114.9 43.5 -63.8 -38.3 23.5 62.4 86.9 69 69 A E H >< S+ 0 0 102 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.980 119.4 38.8 -71.2 -54.4 20.6 63.3 89.2 70 70 A L H 3< S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.759 112.7 54.8 -70.0 -31.3 19.8 59.8 90.6 71 71 A Y T 3< S+ 0 0 53 -4,-2.4 2,-1.8 -5,-0.3 -1,-0.3 0.609 84.7 96.4 -77.5 -10.4 23.4 58.6 90.9 72 72 A D < + 0 0 88 -3,-0.9 -1,-0.1 -4,-0.4 22,-0.1 -0.579 56.4 117.1 -81.6 79.3 24.1 61.8 93.0 73 73 A Y S S- 0 0 29 -2,-1.8 2,-0.2 20,-0.3 354,-0.1 -0.980 75.1 -87.5-142.2 148.8 23.7 60.2 96.4 74 74 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.409 42.2-161.3 -60.1 129.1 26.1 59.8 99.3 75 75 A K E +B 91 0B 37 16,-2.6 16,-2.1 -2,-0.2 2,-0.3 -0.946 11.9 177.8-121.5 114.3 28.1 56.5 98.9 76 76 A Y E -B 90 0B 61 -2,-0.5 2,-0.2 14,-0.2 14,-0.2 -0.817 20.3-148.3-114.2 151.3 29.9 55.0 101.9 77 77 A S - 0 0 12 12,-2.0 330,-0.1 -2,-0.3 307,-0.1 -0.625 45.0 -87.8-101.9 167.1 32.0 51.9 102.5 78 78 A C - 0 0 11 -2,-0.2 11,-0.3 1,-0.1 -1,-0.1 -0.388 48.9-100.1 -75.9 158.5 31.9 50.3 105.9 79 79 A H - 0 0 3 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.457 36.9-170.3 -71.7 155.6 34.3 51.5 108.5 80 80 A F E -C 87 0B 23 7,-2.0 7,-2.6 -2,-0.1 2,-0.4 -0.983 15.0-133.9-146.4 141.3 37.4 49.5 109.3 81 81 A K E +C 86 0B 67 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.821 20.2 178.0-101.9 138.7 39.9 50.0 112.2 82 82 A K E > -C 85 0B 56 3,-2.7 3,-1.9 -2,-0.4 53,-0.1 -0.978 66.2 -39.9-136.6 118.0 43.7 50.1 111.8 83 83 A G T 3 S- 0 0 18 -2,-0.4 53,-0.2 51,-0.4 52,-0.0 -0.390 124.6 -22.5 65.1-134.9 45.7 50.7 115.0 84 84 A K T 3 S+ 0 0 155 51,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.445 124.3 79.3 -88.3 0.0 44.0 53.5 117.0 85 85 A R E < -C 82 0B 23 -3,-1.9 -3,-2.7 51,-0.1 2,-0.3 -0.752 65.5-137.5-117.0 156.6 42.0 54.9 114.1 86 86 A Y E -CD 81 103B 23 17,-3.0 17,-2.1 -2,-0.3 2,-0.3 -0.827 21.3-169.6-105.7 147.4 38.9 54.3 112.0 87 87 A F E +CD 80 102B 0 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.3 -0.958 10.2 166.1-135.3 152.2 38.8 54.6 108.2 88 88 A Y E - D 0 101B 24 13,-1.7 13,-3.3 -2,-0.3 2,-0.3 -0.969 31.2-120.8-161.4 152.9 36.1 54.6 105.5 89 89 A F E + D 0 100B 8 -11,-0.3 -12,-2.0 -2,-0.3 2,-0.3 -0.764 33.7 177.3 -95.5 146.0 35.7 55.5 101.9 90 90 A Y E -BD 76 99B 41 9,-2.3 9,-2.7 -2,-0.3 2,-0.5 -0.983 20.9-168.2-154.9 136.1 33.1 58.1 100.9 91 91 A N E -B 75 0B 8 -16,-2.1 -16,-2.6 -2,-0.3 7,-0.1 -0.999 21.5-143.6-123.4 120.7 31.9 59.8 97.7 92 92 A T - 0 0 69 -2,-0.5 -1,-0.1 -18,-0.2 -16,-0.1 0.770 65.6 -80.5 -56.9 -22.9 29.7 62.8 98.3 93 93 A G S S+ 0 0 0 -19,-0.1 -20,-0.3 -21,-0.1 -1,-0.1 -0.224 116.0 28.0 157.9 -57.8 27.8 61.7 95.2 94 94 A L S S+ 0 0 60 -22,-0.1 593,-0.1 3,-0.0 -22,-0.1 0.135 75.4 132.7-120.2 15.7 29.5 62.7 91.9 95 95 A Q - 0 0 48 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.426 62.7-125.2 -64.1 148.4 33.1 62.9 92.8 96 96 A N S S+ 0 0 37 1,-0.2 590,-1.6 589,-0.1 2,-0.3 0.876 93.3 21.4 -63.8 -37.3 35.2 61.0 90.2 97 97 A Q S S- 0 0 22 588,-0.2 20,-0.2 589,-0.1 -1,-0.2 -0.969 87.9-110.8-132.1 143.2 36.9 58.8 92.8 98 98 A R - 0 0 130 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 -0.409 36.1-127.8 -71.8 151.9 35.7 58.0 96.3 99 99 A V E -D 90 0B 0 -9,-2.7 -9,-2.3 16,-0.1 2,-0.5 -0.827 7.5-128.9-107.3 140.7 37.9 59.5 99.1 100 100 A L E -DE 89 114B 1 14,-2.9 13,-2.9 -2,-0.3 14,-2.3 -0.824 30.1-168.4 -91.0 124.2 39.5 57.7 102.1 101 101 A Y E -DE 88 112B 36 -13,-3.3 -13,-1.7 -2,-0.5 2,-0.3 -0.791 6.5-158.4-111.4 158.1 38.7 59.3 105.4 102 102 A V E +DE 87 111B 2 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.946 8.9 180.0-136.3 146.6 40.1 58.8 108.9 103 103 A Q E -D 86 0B 13 -17,-2.1 -17,-3.0 -2,-0.3 7,-0.1 -0.981 30.3-135.6-146.2 144.8 38.9 59.5 112.4 104 104 A D S S+ 0 0 87 5,-0.4 2,-0.3 -2,-0.3 6,-0.1 0.529 91.6 4.8 -78.9 -6.3 40.5 58.9 115.7 105 105 A S S S- 0 0 51 4,-0.1 3,-0.2 -19,-0.1 -1,-0.2 -0.936 82.1-101.2-167.6 157.4 37.3 57.5 117.2 106 106 A L S S+ 0 0 58 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.826 126.3 41.6 -56.1 -33.4 33.8 56.6 115.9 107 107 A E S S+ 0 0 191 2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.733 97.3 103.6 -85.3 -24.4 32.5 59.9 117.5 108 108 A G S S- 0 0 23 -3,-0.2 2,-0.1 1,-0.1 -3,-0.1 -0.095 85.0 -93.8 -60.2 154.3 35.5 61.9 116.3 109 109 A E - 0 0 163 1,-0.1 -5,-0.4 -6,-0.1 2,-0.2 -0.457 42.8-131.5 -69.5 133.7 35.4 64.4 113.4 110 110 A A - 0 0 33 -7,-0.1 2,-0.3 -2,-0.1 -7,-0.2 -0.595 23.1-167.2 -86.7 152.1 36.6 62.6 110.2 111 111 A R E -E 102 0B 83 -9,-2.5 -9,-2.5 -2,-0.2 2,-0.2 -0.948 33.5 -86.5-137.4 154.6 39.2 64.2 108.0 112 112 A V E +E 101 0B 79 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.456 42.3 171.5 -61.8 129.2 40.4 63.5 104.5 113 113 A F E S+ 0 0 10 -13,-2.9 2,-0.4 1,-0.3 -12,-0.2 0.754 70.8 4.7-106.0 -49.5 43.2 60.9 104.5 114 114 A L E -E 100 0B 20 -14,-2.3 -14,-2.9 -12,-0.0 -1,-0.3 -0.926 61.4-175.3-143.6 118.0 43.7 60.1 100.8 115 115 A D > - 0 0 38 -2,-0.4 3,-1.2 -16,-0.2 4,-0.2 -0.879 5.0-174.8-115.7 99.0 41.8 62.0 98.0 116 116 A P G > S+ 0 0 5 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.764 74.8 78.5 -65.4 -19.5 42.6 60.5 94.5 117 117 A N G > S+ 0 0 30 1,-0.3 3,-1.1 -20,-0.2 6,-0.3 0.809 86.7 57.3 -60.2 -30.6 40.6 63.3 92.9 118 118 A I G < S+ 0 0 137 -3,-1.2 -1,-0.3 1,-0.2 3,-0.1 0.535 91.9 72.3 -80.5 -1.7 43.5 65.8 93.3 119 119 A L G < S+ 0 0 83 -3,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.607 109.6 15.3 -86.2 -12.6 45.8 63.5 91.3 120 120 A S X - 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0 0 5 -2,-0.6 3,-2.1 -3,-0.3 4,-0.3 -0.186 13.9-123.7 -50.5 134.6 43.5 43.9 75.0 646 646 A P T >> S+ 0 0 23 0, 0.0 4,-2.4 0, 0.0 3,-0.7 0.681 100.1 83.6 -55.6 -20.5 41.3 46.0 72.7 647 647 A L H 3> S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.796 81.9 66.1 -53.3 -30.3 42.4 44.2 69.6 648 648 A H H <> S+ 0 0 2 -3,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.966 108.9 35.0 -55.4 -52.2 39.7 41.6 70.5 649 649 A S H <> S+ 0 0 1 -3,-0.7 4,-2.7 -4,-0.3 5,-0.2 0.849 115.9 56.5 -72.2 -34.6 37.0 44.2 69.8 650 650 A L H X S+ 0 0 8 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.965 111.6 41.1 -63.5 -49.6 38.8 45.8 67.0 651 651 A K H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.894 115.2 53.0 -65.7 -38.2 39.2 42.6 64.9 652 652 A F H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.4 -1,-0.2 0.939 109.3 46.0 -64.1 -47.9 35.7 41.5 65.8 653 653 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.883 110.5 54.2 -64.6 -35.5 33.9 44.7 64.7 654 654 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.934 111.6 46.3 -61.2 -42.6 36.0 44.8 61.4 655 655 A T H X>S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 5,-0.5 0.912 111.7 50.1 -67.5 -43.5 34.7 41.2 60.8 656 656 A L H X>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-1.7 0.932 111.7 48.6 -60.7 -46.3 31.1 42.1 61.6 657 657 A Q H <>S+ 0 0 9 -4,-2.7 5,-0.6 3,-0.2 -1,-0.2 0.873 117.5 40.4 -64.9 -34.0 31.1 45.1 59.3 658 658 A Y H X5S+ 0 0 68 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.966 123.3 33.8 -79.7 -53.8 32.6 43.2 56.4 659 659 A I H <5S+ 0 0 50 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.942 140.2 12.7 -68.7 -47.6 30.8 39.8 56.6 660 660 A V T >< S+ 0 0 34 1,-0.4 3,-2.0 -534,-0.3 -1,-0.1 -0.057 86.0 118.8 146.3 -39.9 36.7 49.0 84.2 682 682 A A T 3 S+ 0 0 55 1,-0.3 -1,-0.4 -535,-0.2 -3,-0.2 -0.337 88.1 10.5 -59.1 133.3 38.2 49.0 87.6 683 683 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.3 -3,-0.1 -536,-0.1 0.535 84.4 159.8 78.2 2.8 38.8 52.5 88.9 684 684 A K < - 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