==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-12 4BCD . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR P.VANDERVEKEN,V.FULOP,D.REA,M.GERARD,R.VANELZEN,J.JOOSSENS,J . 710 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 67.5 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 . 161 22.7 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 . 7 1.0 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 . 65 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 14.6 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 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 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 0 100 0, 0.0 2,-0.9 0, 0.0 667,-0.0 0.000 360.0 360.0 360.0 -37.7 17.7 53.9 60.1 2 2 A L + 0 0 54 1,-0.1 666,-0.0 665,-0.1 51,-0.0 -0.743 360.0 157.6 -92.2 101.7 21.2 53.4 58.7 3 3 A S + 0 0 108 -2,-0.9 2,-0.3 2,-0.0 -1,-0.1 0.024 56.4 70.7-109.1 19.8 22.4 56.8 57.3 4 4 A F S S- 0 0 48 49,-0.0 2,-0.4 45,-0.0 45,-0.0 -0.818 72.9-130.6-127.7 168.3 26.1 55.9 57.5 5 5 A Q - 0 0 151 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.966 27.9-109.8-119.2 144.7 28.4 53.6 55.6 6 6 A Y - 0 0 41 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.446 42.3-102.7 -66.2 143.4 30.8 51.1 57.1 7 7 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.270 34.6-106.5 -63.5 148.3 34.5 52.0 56.7 8 8 A D - 0 0 153 -3,-0.1 2,-0.4 650,-0.0 37,-0.1 -0.596 40.6-167.9 -74.0 139.1 36.5 50.2 54.1 9 9 A V - 0 0 31 -2,-0.3 -3,-0.0 645,-0.1 -1,-0.0 -0.957 20.7-118.4-137.9 118.0 38.8 47.8 55.9 10 10 A Y - 0 0 163 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.253 21.1-147.7 -60.1 135.2 41.7 45.9 54.3 11 11 A R - 0 0 47 17,-0.1 2,-1.4 18,-0.0 17,-0.2 -0.926 3.3-150.8-105.7 115.9 41.5 42.2 54.2 12 12 A D > + 0 0 43 15,-2.8 3,-1.7 -2,-0.6 14,-0.2 -0.685 17.6 180.0 -81.5 91.9 44.8 40.4 54.3 13 13 A E T 3 S+ 0 0 107 -2,-1.4 -1,-0.2 1,-0.3 15,-0.1 0.574 75.2 65.8 -74.7 -7.0 43.7 37.3 52.3 14 14 A T T 3 S+ 0 0 115 13,-0.1 2,-1.2 -3,-0.1 -1,-0.3 0.552 71.8 103.5 -84.5 -11.8 47.3 35.8 52.8 15 15 A A < + 0 0 19 -3,-1.7 11,-2.4 2,-0.0 2,-0.4 -0.615 47.4 148.7 -79.0 97.1 46.9 35.5 56.5 16 16 A I E -A 25 0A 105 -2,-1.2 2,-0.4 9,-0.2 9,-0.2 -0.998 22.9-173.9-137.6 129.4 46.3 31.7 56.8 17 17 A Q E -A 24 0A 78 7,-2.4 7,-2.7 -2,-0.4 2,-0.5 -0.985 20.3-132.7-128.0 139.5 47.3 29.5 59.7 18 18 A D E -A 23 0A 77 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.798 17.3-172.2 -91.1 125.3 47.1 25.7 60.1 19 19 A Y E > S-A 22 0A 12 3,-3.0 3,-2.3 -2,-0.5 584,-0.0 -0.893 75.3 -42.6-115.0 98.6 45.6 24.4 63.3 20 20 A H T 3 S- 0 0 68 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.836 123.9 -40.0 53.8 37.0 46.1 20.6 63.5 21 21 A G T 3 S+ 0 0 54 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.275 117.9 111.6 95.8 -11.0 45.1 20.3 59.8 22 22 A H E < -A 19 0A 77 -3,-2.3 -3,-3.0 2,-0.0 2,-0.4 -0.869 61.3-143.0-101.4 115.6 42.3 22.9 60.0 23 23 A K E -A 18 0A 131 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.664 16.5-168.8 -82.5 136.2 43.1 26.0 58.0 24 24 A V E -A 17 0A 12 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.983 10.2-150.6-128.2 124.6 42.0 29.3 59.5 25 25 A C E -A 16 0A 73 -2,-0.5 -9,-0.2 -9,-0.2 -12,-0.1 -0.762 10.8-176.2 -92.2 138.2 42.1 32.6 57.6 26 26 A D > + 0 0 12 -11,-2.4 3,-2.0 -2,-0.4 4,-0.2 -0.620 8.7 170.3-131.6 71.6 42.5 35.7 59.8 27 27 A P T 3 S+ 0 0 14 0, 0.0 -15,-2.8 0, 0.0 3,-0.3 0.682 78.8 49.2 -63.6 -16.7 42.2 38.7 57.3 28 28 A Y T > + 0 0 5 -17,-0.2 3,-2.1 1,-0.2 4,-0.2 0.083 69.8 119.8-108.3 22.0 42.1 41.3 60.1 29 29 A A G X + 0 0 17 -3,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.799 64.2 71.7 -55.7 -29.5 45.2 40.0 62.0 30 30 A W G > S+ 0 0 59 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.731 81.3 72.0 -60.4 -22.5 46.8 43.4 61.4 31 31 A L G < S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.537 77.2 80.5 -70.5 -6.1 44.4 44.9 63.9 32 32 A E G < S+ 0 0 42 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.630 76.4 79.2 -71.7 -15.7 46.4 43.0 66.6 33 33 A D X - 0 0 80 -3,-1.6 3,-0.9 1,-0.2 6,-0.3 -0.832 61.0-174.2 -94.7 105.1 49.0 45.9 66.5 34 34 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.717 79.3 57.5 -71.9 -14.4 47.5 48.7 68.5 35 35 A D T 3 S+ 0 0 63 4,-0.1 2,-0.1 5,-0.0 166,-0.0 0.525 80.7 107.3 -95.6 -7.9 50.3 51.1 67.5 36 36 A S S <> S- 0 0 17 -3,-0.9 4,-2.6 -6,-0.2 5,-0.2 -0.342 73.3-128.2 -75.4 152.2 50.0 51.0 63.8 37 37 A E H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.852 112.3 56.7 -61.2 -36.9 48.6 53.9 61.7 38 38 A Q H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 109.7 42.4 -59.3 -47.6 46.3 51.3 60.1 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.915 114.4 50.7 -69.4 -41.8 44.8 50.3 63.4 40 40 A K H X S+ 0 0 104 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.909 111.4 48.8 -60.9 -40.6 44.5 53.9 64.7 41 41 A A H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.892 109.9 52.4 -67.9 -37.2 42.8 54.9 61.4 42 42 A F H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.941 109.9 47.9 -59.6 -48.7 40.4 51.9 61.8 43 43 A V H X S+ 0 0 29 -4,-2.5 4,-2.5 1,-0.2 631,-0.2 0.917 112.6 49.0 -61.5 -45.6 39.5 52.9 65.4 44 44 A E H X S+ 0 0 131 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.921 111.0 50.0 -59.6 -43.7 38.9 56.5 64.3 45 45 A A H X S+ 0 0 32 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.857 111.8 48.2 -64.9 -35.3 36.7 55.5 61.4 46 46 A Q H >X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.8 0.937 111.9 47.4 -72.2 -46.5 34.6 53.2 63.5 47 47 A N H 3X S+ 0 0 25 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.844 103.3 65.6 -60.1 -32.0 34.0 55.8 66.3 48 48 A K H 3< S+ 0 0 159 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.805 111.1 34.3 -65.1 -29.0 33.2 58.4 63.5 49 49 A I H S+ 0 0 72 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.865 111.2 55.2 -65.4 -29.9 26.7 60.2 65.9 53 53 A F H X S+ 0 0 8 -4,-1.1 4,-0.5 1,-0.2 -2,-0.2 0.931 113.1 41.3 -65.7 -44.3 24.4 57.2 65.8 54 54 A L H < S+ 0 0 5 -4,-2.4 6,-0.2 1,-0.2 -1,-0.2 0.878 118.3 44.9 -69.1 -39.7 24.3 57.1 69.6 55 55 A E H < S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.681 94.2 82.6 -81.6 -16.0 24.0 60.8 70.2 56 56 A Q H < S+ 0 0 121 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.909 76.5 65.6 -58.3 -58.5 21.3 61.5 67.5 57 57 A C S >< S- 0 0 42 -4,-0.5 3,-2.2 -3,-0.1 4,-0.3 -0.585 82.0-128.7 -78.1 128.9 18.0 60.6 69.3 58 58 A P T 3> S+ 0 0 105 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.619 97.0 84.2 -44.6 -22.4 17.0 62.9 72.3 59 59 A I H 3> S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.850 81.4 60.6 -58.5 -33.0 16.5 59.7 74.4 60 60 A R H <> S+ 0 0 20 -3,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.925 105.9 46.3 -58.7 -45.4 20.3 59.7 75.2 61 61 A G H > S+ 0 0 45 -3,-0.5 4,-2.4 -4,-0.3 -1,-0.2 0.862 112.1 50.7 -65.5 -37.5 20.0 63.1 76.9 62 62 A L H X S+ 0 0 62 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.938 113.8 45.0 -62.8 -47.6 16.9 62.1 78.8 63 63 A Y H X S+ 0 0 1 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.929 113.1 50.4 -62.1 -47.9 18.6 58.9 80.0 64 64 A K H X S+ 0 0 75 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.923 110.5 49.5 -58.7 -46.1 21.8 60.8 80.9 65 65 A E H X S+ 0 0 115 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.939 113.8 45.2 -58.9 -43.8 20.0 63.4 82.9 66 66 A R H X S+ 0 0 54 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.904 112.8 50.8 -71.2 -36.8 18.0 60.9 84.8 67 67 A M H X S+ 0 0 4 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.927 109.8 50.5 -64.6 -42.5 21.1 58.8 85.5 68 68 A T H < S+ 0 0 48 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.920 115.8 42.8 -61.5 -42.0 23.0 61.8 86.7 69 69 A E H >< S+ 0 0 98 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.952 119.7 39.7 -65.5 -53.4 20.1 62.7 89.1 70 70 A L H 3< S+ 0 0 5 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.797 112.9 53.9 -75.9 -29.0 19.4 59.1 90.4 71 71 A Y T 3< S+ 0 0 53 -4,-2.6 2,-2.0 -5,-0.3 -1,-0.2 0.625 84.9 95.4 -78.1 -11.5 23.0 58.0 90.7 72 72 A D < + 0 0 86 -3,-0.6 -1,-0.1 -4,-0.5 22,-0.1 -0.526 56.4 116.0 -81.5 78.7 23.7 61.1 92.8 73 73 A Y S S- 0 0 28 -2,-2.0 2,-0.1 20,-0.3 354,-0.1 -0.977 75.5 -86.3-139.8 153.1 23.3 59.5 96.2 74 74 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.344 39.9-160.2 -66.6 135.1 25.9 59.0 99.0 75 75 A K E +B 91 0B 40 16,-2.6 16,-2.1 -2,-0.1 2,-0.3 -0.965 12.3 179.9-123.1 114.6 28.0 55.8 98.6 76 76 A Y E -B 90 0B 53 -2,-0.5 2,-0.2 14,-0.2 14,-0.2 -0.853 18.0-148.7-112.4 147.4 29.9 54.4 101.6 77 77 A S - 0 0 12 12,-2.4 330,-0.1 -2,-0.3 3,-0.1 -0.657 46.5 -78.8 -88.1 169.7 32.1 51.4 102.2 78 78 A C - 0 0 9 -2,-0.2 11,-0.4 1,-0.1 2,-0.1 -0.342 48.5-110.7 -54.8 144.4 32.2 49.6 105.6 79 79 A H - 0 0 1 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.480 38.1-171.0 -66.9 149.7 34.2 51.3 108.3 80 80 A F E -C 87 0B 20 7,-2.3 7,-2.6 -2,-0.1 2,-0.4 -0.974 16.1-133.7-147.1 139.2 37.4 49.3 109.2 81 81 A K E +C 86 0B 76 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.746 19.8 179.7 -95.7 138.3 39.8 49.8 112.1 82 82 A K E > -C 85 0B 46 3,-2.6 3,-1.9 -2,-0.4 53,-0.1 -0.978 65.0 -45.1-136.0 118.4 43.6 49.8 111.5 83 83 A G T 3 S- 0 0 37 51,-0.4 53,-0.2 -2,-0.4 52,-0.0 -0.392 125.2 -16.6 57.8-127.8 45.7 50.4 114.6 84 84 A K T 3 S+ 0 0 150 51,-0.4 2,-0.3 -2,-0.1 -1,-0.3 0.299 125.1 67.1 -86.6 3.2 44.2 53.3 116.6 85 85 A R E < -C 82 0B 20 -3,-1.9 -3,-2.6 51,-0.0 2,-0.4 -0.872 67.6-130.1-129.8 158.1 42.0 54.8 113.8 86 86 A Y E -CD 81 103B 21 17,-2.8 17,-2.5 -2,-0.3 2,-0.3 -0.846 23.0-170.0-102.7 147.7 39.0 54.0 111.7 87 87 A F E +CD 80 102B 0 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.3 -0.930 9.7 165.2-129.0 155.6 38.8 54.3 107.9 88 88 A Y E - D 0 101B 20 13,-1.6 13,-3.2 -2,-0.3 2,-0.3 -0.952 31.9-118.6-161.9 154.1 36.1 54.2 105.3 89 89 A F E + D 0 100B 5 -11,-0.4 -12,-2.4 -2,-0.3 2,-0.3 -0.729 34.1 177.1 -92.3 147.1 35.5 55.1 101.6 90 90 A Y E -BD 76 99B 47 9,-2.2 9,-2.6 -2,-0.3 2,-0.4 -0.989 20.4-169.4-152.9 136.5 32.9 57.6 100.7 91 91 A N E -B 75 0B 10 -16,-2.1 -16,-2.6 -2,-0.3 7,-0.1 -1.000 21.9-144.0-124.4 124.5 31.6 59.3 97.5 92 92 A T - 0 0 71 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.1 0.764 66.3 -81.2 -61.3 -25.4 29.2 62.2 98.1 93 93 A G S S+ 0 0 0 -19,-0.1 -20,-0.3 -18,-0.1 -1,-0.1 -0.252 116.0 31.3 164.1 -53.0 27.4 61.0 95.0 94 94 A L S S+ 0 0 58 -22,-0.1 593,-0.1 3,-0.0 -22,-0.1 0.229 74.2 132.6-119.0 11.7 29.0 62.0 91.7 95 95 A Q - 0 0 48 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.369 62.4-126.5 -60.0 144.0 32.7 62.2 92.5 96 96 A N S S+ 0 0 40 589,-0.2 590,-1.4 1,-0.1 2,-0.4 0.892 92.7 21.4 -61.6 -37.9 34.7 60.4 89.8 97 97 A Q S S- 0 0 23 588,-0.2 20,-0.2 589,-0.1 -1,-0.1 -0.967 87.3-109.4-129.5 144.4 36.5 58.3 92.5 98 98 A R - 0 0 120 -2,-0.4 2,-0.4 -7,-0.1 -7,-0.2 -0.402 35.8-130.2 -68.2 152.6 35.5 57.4 96.0 99 99 A V E -D 90 0B 0 -9,-2.6 -9,-2.2 16,-0.1 2,-0.6 -0.841 7.7-128.8-111.0 139.1 37.6 59.1 98.8 100 100 A L E -DE 89 114B 0 14,-2.9 13,-2.9 -2,-0.4 14,-2.1 -0.815 29.6-168.2 -90.1 125.3 39.3 57.4 101.7 101 101 A Y E -DE 88 112B 35 -13,-3.2 -13,-1.6 -2,-0.6 2,-0.3 -0.724 6.9-157.3-109.5 156.9 38.5 59.0 105.1 102 102 A V E +DE 87 111B 2 9,-2.5 9,-2.8 -2,-0.3 2,-0.3 -0.971 10.4 176.7-129.9 146.4 40.0 58.6 108.5 103 103 A Q E -D 86 0B 9 -17,-2.5 -17,-2.8 -2,-0.3 7,-0.1 -0.988 33.2-132.4-143.7 158.4 38.8 59.3 112.0 104 104 A D S S- 0 0 94 5,-0.5 2,-0.3 -2,-0.3 6,-0.1 0.624 90.4 -1.9 -85.2 -12.4 40.2 58.7 115.5 105 105 A S S > S- 0 0 51 4,-0.1 3,-1.2 -19,-0.1 -1,-0.1 -0.952 79.1 -97.7-161.4 166.5 36.9 57.1 116.8 106 106 A L T 3 S+ 0 0 56 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.839 127.3 43.2 -57.4 -34.9 33.4 56.2 115.6 107 107 A E T 3 S+ 0 0 195 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.430 100.1 106.6 -88.1 -1.4 32.0 59.4 117.2 108 108 A G S < S- 0 0 24 -3,-1.2 2,-0.2 1,-0.1 0, 0.0 -0.340 81.5 -93.5 -87.0 158.9 35.0 61.5 116.0 109 109 A E - 0 0 183 -2,-0.1 -5,-0.5 1,-0.1 2,-0.3 -0.471 43.2-136.0 -66.7 134.5 35.3 64.0 113.2 110 110 A A - 0 0 34 -2,-0.2 2,-0.3 -7,-0.1 -7,-0.2 -0.681 21.0-170.3 -93.2 149.2 36.4 62.4 109.9 111 111 A R E -E 102 0B 101 -9,-2.8 -9,-2.5 -2,-0.3 2,-0.2 -0.961 33.6 -89.3-134.8 157.3 39.0 63.9 107.6 112 112 A V E +E 101 0B 78 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.447 40.6 170.6 -64.0 128.7 40.2 63.2 104.1 113 113 A F E S+ 0 0 11 -13,-2.9 2,-0.4 1,-0.3 -12,-0.2 0.792 71.3 3.8-104.9 -49.1 43.1 60.7 104.1 114 114 A L E -E 100 0B 18 -14,-2.1 -14,-2.9 0, 0.0 -1,-0.3 -0.945 60.2-175.2-145.0 120.7 43.5 59.9 100.4 115 115 A D > - 0 0 36 -2,-0.4 3,-1.2 -16,-0.2 4,-0.2 -0.881 4.9-173.8-115.9 98.2 41.6 61.6 97.6 116 116 A P G > S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.708 75.2 78.5 -65.2 -17.2 42.3 60.1 94.2 117 117 A N G > S+ 0 0 31 1,-0.3 3,-1.1 -20,-0.2 6,-0.3 0.816 86.8 57.7 -62.3 -32.6 40.3 62.8 92.4 118 118 A I G < S+ 0 0 142 -3,-1.2 -1,-0.3 1,-0.2 3,-0.1 0.519 90.9 73.9 -75.8 -2.3 43.0 65.3 92.8 119 119 A L G < S+ 0 0 76 -3,-1.9 2,-0.3 6,-0.2 -1,-0.2 0.512 107.2 17.0 -90.0 -6.7 45.4 63.0 90.9 120 120 A S X - 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0 0 35 -78,-0.4 3,-2.2 -2,-0.2 4,-0.5 -0.946 37.6-103.0-141.7 155.5 9.4 39.0 72.5 545 545 A P G > S+ 0 0 47 0, 0.0 3,-1.6 0, 0.0 27,-0.5 0.877 120.1 54.9 -50.6 -42.8 12.6 38.5 70.4 546 546 A K G 3 S+ 0 0 147 1,-0.3 25,-0.1 25,-0.1 24,-0.0 0.624 114.0 42.1 -65.7 -13.6 12.2 41.9 68.7 547 547 A R G < S+ 0 0 87 -3,-2.2 -79,-1.9 -81,-0.1 2,-0.5 0.314 93.4 104.9-111.0 2.8 12.1 43.6 72.1 548 548 A L E < -b 468 0I 0 -3,-1.6 24,-2.6 -4,-0.5 25,-1.8 -0.784 44.6-173.5 -99.5 125.8 14.9 41.5 73.8 549 549 A T E -bc 469 573I 1 -81,-2.6 -79,-2.7 -2,-0.5 2,-0.4 -0.944 7.3-159.4-109.0 134.2 18.4 42.9 74.5 550 550 A I E -bc 470 574I 0 23,-2.2 25,-2.5 -2,-0.4 2,-0.3 -0.926 11.5-176.4-109.0 146.9 21.2 40.7 75.9 551 551 A N E +bc 471 575I 6 -81,-2.3 -79,-1.5 -2,-0.4 2,-0.3 -0.995 11.7 154.2-141.0 145.8 24.2 42.1 77.6 552 552 A G E - c 0 576I 0 23,-1.4 25,-2.6 -2,-0.3 2,-0.4 -0.954 23.7-143.0-161.8 157.7 27.4 40.7 79.1 553 553 A G E > - c 0 577I 12 -81,-0.3 3,-2.7 -2,-0.3 2,-0.4 -0.966 64.6 -20.3-129.3 145.3 31.0 41.9 79.8 554 554 A S T >> S+ 0 0 23 23,-2.5 4,-1.7 -2,-0.4 26,-1.1 -0.474 146.4 7.3 67.5-117.4 34.4 40.2 79.5 555 555 A N H 3> S+ 0 0 0 -2,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.828 136.3 56.8 -60.1 -28.4 33.6 36.5 79.6 556 556 A G H <> S+ 0 0 0 -3,-2.7 4,-2.0 2,-0.2 -2,-0.3 0.712 99.4 57.7 -72.7 -23.1 30.0 37.7 79.4 557 557 A G H <> S+ 0 0 0 -3,-0.7 4,-2.1 20,-0.3 -2,-0.2 0.893 105.3 49.6 -72.5 -38.4 30.9 39.5 76.2 558 558 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.932 109.1 56.2 -54.6 -45.6 32.0 36.2 74.7 559 559 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.937 111.8 38.0 -54.2 -54.9 28.6 34.9 76.0 560 560 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.845 114.5 54.5 -72.9 -30.8 26.4 37.4 74.1 561 561 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.920 111.2 45.3 -68.0 -43.3 28.6 37.5 70.9 562 562 A T H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.918 110.9 53.9 -66.3 -39.6 28.4 33.7 70.6 563 563 A C H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.885 104.8 54.7 -63.3 -34.4 24.6 33.8 71.2 564 564 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.926 112.4 43.5 -61.4 -43.6 24.3 36.4 68.4 565 565 A N H < S+ 0 0 21 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 120.0 41.1 -67.1 -41.2 26.0 34.0 66.0 566 566 A Q H < S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.838 132.2 16.4 -82.1 -36.7 24.1 30.9 67.2 567 567 A R >< + 0 0 60 -4,-2.8 3,-1.8 -5,-0.2 4,-0.4 -0.468 63.6 156.6-137.1 64.8 20.6 32.3 67.6 568 568 A P G > S+ 0 0 16 0, 0.0 3,-0.8 0, 0.0 61,-0.1 0.789 75.5 64.2 -62.1 -23.8 20.3 35.6 65.8 569 569 A D G 3 S+ 0 0 67 1,-0.2 -5,-0.1 -3,-0.1 61,-0.0 0.615 95.3 60.3 -70.9 -15.2 16.5 35.1 65.6 570 570 A L G < S+ 0 0 8 -3,-1.8 2,-0.4 -7,-0.2 -1,-0.2 0.641 99.3 55.6 -88.7 -18.0 16.2 35.2 69.4 571 571 A F < - 0 0 8 -3,-0.8 -22,-0.2 -4,-0.4 -25,-0.1 -0.925 46.8-168.0-127.9 139.9 17.5 38.7 70.1 572 572 A G S S+ 0 0 9 -24,-2.6 60,-2.2 -27,-0.5 2,-0.3 0.789 84.6 14.6 -86.5 -34.3 16.7 42.3 69.0 573 573 A C E -cd 549 632I 0 -25,-1.8 -23,-2.2 58,-0.2 2,-0.4 -0.997 59.8-166.2-148.3 141.9 19.8 43.9 70.4 574 574 A V E -cd 550 633I 0 58,-2.3 60,-2.5 -2,-0.3 2,-0.5 -0.997 0.9-172.2-133.2 126.3 23.2 42.7 71.8 575 575 A I E -cd 551 634I 0 -25,-2.5 -23,-1.4 -2,-0.4 2,-0.6 -0.962 7.7-173.2-119.1 110.9 25.6 44.8 73.8 576 576 A A E -cd 552 635I 0 58,-2.1 60,-2.3 -2,-0.5 2,-0.5 -0.922 7.3-159.6-109.2 115.9 29.0 43.0 74.3 577 577 A Q E -cd 553 636I 33 -25,-2.6 -23,-2.5 -2,-0.6 -20,-0.3 -0.801 67.1 -25.1 -96.2 131.6 31.3 44.9 76.7 578 578 A V S S- 0 0 17 58,-3.3 -1,-0.2 -2,-0.5 -21,-0.2 0.775 91.7-177.6 40.8 49.5 35.1 44.1 76.6 579 579 A G - 0 0 0 -3,-0.3 2,-0.8 57,-0.2 -24,-0.2 -0.402 36.2-120.9 -89.4 151.2 34.5 40.6 75.2 580 580 A V + 0 0 2 -26,-1.1 3,-0.1 1,-0.2 -19,-0.1 -0.788 45.3 157.8 -84.0 110.3 36.9 37.8 74.4 581 581 A M + 0 0 0 -2,-0.8 36,-2.5 1,-0.2 2,-1.0 0.723 53.7 64.3-110.9 -33.1 36.2 37.2 70.7 582 582 A D >> + 0 0 0 34,-0.2 4,-1.3 1,-0.2 3,-0.5 -0.815 56.3 175.0 -96.5 93.0 39.2 35.5 69.2 583 583 A M T 34 S+ 0 0 0 -2,-1.0 19,-0.3 1,-0.2 4,-0.2 0.608 75.7 58.2 -75.7 -12.5 39.1 32.2 71.1 584 584 A L T 34 S+ 0 0 0 1,-0.1 -1,-0.2 -3,-0.1 18,-0.2 0.738 118.8 26.1 -83.5 -23.2 42.1 30.9 69.0 585 585 A K T X4 S+ 0 0 20 -3,-0.5 3,-2.3 1,-0.1 4,-0.3 0.442 85.0 105.1-120.4 -0.7 44.5 33.6 70.0 586 586 A F G >< S+ 0 0 1 -4,-1.3 3,-1.1 1,-0.3 6,-0.2 0.804 77.1 60.8 -57.7 -29.1 43.4 34.9 73.4 587 587 A H G 3 S+ 0 0 24 1,-0.2 6,-0.3 -4,-0.2 -1,-0.3 0.612 91.0 70.3 -73.9 -11.2 46.2 33.2 75.2 588 588 A K G < S+ 0 0 93 -3,-2.3 -384,-0.4 4,-0.1 2,-0.3 0.666 89.9 70.0 -76.3 -19.1 48.9 35.1 73.3 589 589 A Y S X S- 0 0 21 -3,-1.1 3,-2.8 -4,-0.3 4,-0.3 -0.820 102.9 -51.4-117.7 145.6 48.3 38.5 74.9 590 590 A T T 3 S- 0 0 1 -388,-2.0 -385,-2.5 -2,-0.3 3,-0.3 -0.032 120.0 -16.4 35.8-115.0 48.8 40.0 78.4 591 591 A I T > S+ 0 0 10 51,-0.5 3,-2.4 52,-0.3 -1,-0.3 0.266 101.8 112.6-102.6 11.5 47.3 37.7 81.0 592 592 A G G X + 0 0 0 -3,-2.8 3,-1.8 1,-0.3 4,-0.3 0.749 62.6 74.2 -57.2 -25.1 45.2 35.7 78.6 593 593 A H G > S+ 0 0 16 -3,-0.3 3,-1.1 -6,-0.3 -1,-0.3 0.799 87.2 64.4 -55.5 -27.4 47.3 32.6 79.2 594 594 A A G X S+ 0 0 6 -3,-2.4 -339,-1.7 1,-0.2 3,-0.7 0.655 90.0 65.4 -72.7 -15.8 45.5 32.4 82.6 595 595 A W G X> S+ 0 0 24 -3,-1.8 4,-2.3 -4,-0.2 3,-1.8 0.529 70.4 93.7 -87.3 -2.8 42.1 31.7 81.0 596 596 A T H <> S+ 0 0 31 -3,-1.1 4,-1.8 -4,-0.3 -1,-0.2 0.710 74.4 68.8 -63.1 -18.4 43.0 28.4 79.5 597 597 A T H <4 S+ 0 0 27 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.773 111.6 30.5 -71.2 -25.4 41.6 26.8 82.7 598 598 A D H <4 S+ 0 0 0 -3,-1.8 -78,-3.0 2,-0.1 -2,-0.2 0.777 136.2 24.6 -94.5 -35.8 38.1 27.8 81.6 599 599 A Y H < S- 0 0 1 -4,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.734 92.8-131.2-103.3 -24.3 38.5 27.7 77.8 600 600 A G < - 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