==== 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 26-JUL-06 2HU7 . COMPND 2 MOLECULE: ACYLAMINO-ACID-RELEASING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR A.L.KISS,B.HORNUNG,K.RADI,Z.GENGELICZKI,B.SZTARAY,V.HARMAT,L . 1148 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 830 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 324 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 102 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 6 4 0 1 1 0 2 5 1 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 2 2 2 2 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 . 4 6 8 3 0 16 12 0 2 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 . 0 0 8 5 1 0 0 0 0 0 0 0 0 0 1 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 9 A F > 0 0 141 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 142.6 15.3 2.3 7.6 2 10 A S H > + 0 0 19 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.799 360.0 58.8 -69.0 -31.0 18.6 4.3 7.3 3 11 A R H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 105.3 49.9 -64.9 -38.0 17.0 6.3 4.4 4 12 A I H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.889 109.2 51.3 -63.3 -45.2 14.2 7.4 6.7 5 13 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.926 110.7 49.5 -58.2 -42.5 16.7 8.5 9.3 6 14 A R H X S+ 0 0 122 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.930 113.0 44.5 -67.4 -46.4 18.6 10.5 6.7 7 15 A D H X S+ 0 0 21 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.919 114.5 49.6 -61.4 -45.0 15.5 12.3 5.4 8 16 A V H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.925 113.0 47.8 -58.9 -46.3 14.2 13.0 8.9 9 17 A E H X S+ 0 0 22 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.929 112.1 48.1 -59.8 -48.4 17.6 14.3 9.9 10 18 A R H X S+ 0 0 54 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.829 110.3 51.8 -69.0 -30.8 17.9 16.5 6.8 11 19 A L H < S+ 0 0 2 -4,-2.2 3,-0.3 2,-0.2 -1,-0.2 0.894 114.4 43.1 -70.6 -39.6 14.4 17.9 7.3 12 20 A I H < S+ 0 0 7 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.918 111.3 56.1 -69.3 -39.9 15.3 18.8 10.9 13 21 A A H < S+ 0 0 45 -4,-2.9 22,-0.2 -5,-0.2 23,-0.2 0.674 78.0 108.7 -70.2 -22.3 18.7 20.2 10.0 14 22 A V S < S- 0 0 14 -4,-1.0 2,-0.1 -3,-0.3 298,-0.1 -0.366 80.9-110.3 -58.3 131.2 17.3 22.7 7.4 15 23 A E - 0 0 66 298,-0.1 297,-0.7 296,-0.1 2,-0.4 -0.403 34.9-167.7 -70.8 140.2 17.8 26.1 9.0 16 24 A K E -A 33 0A 31 17,-1.3 17,-2.8 295,-0.1 2,-0.3 -0.993 4.2-162.4-133.3 135.0 14.6 27.9 10.0 17 25 A Y E -A 32 0A 10 281,-2.0 2,-0.4 -2,-0.4 15,-0.2 -0.908 11.4-164.1-125.2 145.8 14.5 31.6 11.0 18 26 A S E -A 31 0A 46 13,-2.6 13,-2.2 -2,-0.3 2,-0.5 -0.982 24.2-127.1-124.2 142.0 12.1 33.9 12.8 19 27 A L E +A 30 0A 7 -2,-0.4 260,-0.4 11,-0.2 11,-0.2 -0.789 31.2 168.3 -89.6 125.5 12.3 37.7 12.6 20 28 A Q E - 0 0 28 9,-2.5 2,-0.3 -2,-0.5 10,-0.2 0.716 49.8 -83.7-110.8 -31.7 12.4 39.4 16.1 21 29 A G E -A 29 0A 5 8,-1.4 8,-3.4 40,-0.1 2,-0.4 -0.993 47.5 -58.4 158.7-160.2 13.3 43.0 15.3 22 30 A V E +A 28 0A 2 40,-0.4 43,-1.6 -2,-0.3 44,-0.5 -0.986 54.6 156.3-124.3 128.4 16.0 45.5 14.6 23 31 A V E > +Ab 27 66A 0 4,-2.9 4,-2.5 -2,-0.4 44,-0.2 -0.688 45.0 47.8-135.8-176.2 18.9 46.1 17.1 24 32 A D T 4 S- 0 0 41 42,-2.5 2,-1.1 1,-0.2 42,-0.2 0.811 128.7 -56.0 47.8 42.5 22.5 47.4 17.3 25 33 A G T 4 S- 0 0 52 40,-0.9 -1,-0.2 -3,-0.1 41,-0.1 -0.723 124.9 -10.2 91.6 -85.1 21.5 50.4 15.3 26 34 A D T 4 S+ 0 0 58 -2,-1.1 2,-0.4 39,-0.1 -2,-0.2 -0.292 95.8 122.1-149.2 51.5 20.1 48.9 12.1 27 35 A K E < -A 23 0A 59 -4,-2.5 -4,-2.9 256,-0.0 17,-0.2 -0.946 62.8-113.8-115.7 135.9 20.8 45.1 12.1 28 36 A L E -AC 22 43A 1 15,-2.2 15,-2.1 -2,-0.4 2,-0.6 -0.482 22.4-146.0 -65.4 136.0 18.1 42.5 11.9 29 37 A L E +AC 21 42A 0 -8,-3.4 -9,-2.5 13,-0.2 -8,-1.4 -0.941 28.3 171.5-101.8 121.1 17.7 40.4 15.0 30 38 A V E -AC 19 41A 0 11,-2.6 11,-3.0 -2,-0.6 2,-0.5 -0.948 31.4-140.9-127.3 149.3 16.7 36.8 14.1 31 39 A V E -AC 18 40A 14 -13,-2.2 -13,-2.6 -2,-0.3 2,-0.4 -0.952 29.6-171.8-102.0 128.3 16.3 33.6 16.0 32 40 A G E -AC 17 39A 0 7,-2.6 7,-2.4 -2,-0.5 2,-1.1 -0.986 31.3-142.0-123.4 130.4 17.6 30.7 13.9 33 41 A F E +AC 16 38A 31 -17,-2.8 -17,-1.3 -2,-0.4 2,-0.3 -0.838 59.7 139.4 -75.7 103.2 17.4 27.0 14.4 34 42 A S E > + C 0 37A 5 3,-2.6 3,-1.6 -2,-1.1 -2,-0.1 -0.994 45.3 20.3-153.6 150.6 20.9 26.5 12.9 35 43 A E T 3 S- 0 0 159 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.891 133.3 -51.7 50.9 41.3 24.1 24.5 13.5 36 44 A G T 3 S+ 0 0 33 -23,-0.2 517,-2.5 1,-0.1 518,-0.4 0.427 122.8 50.9 85.1 1.3 22.0 22.0 15.5 37 45 A S E < S-CD 34 552A 15 -3,-1.6 -3,-2.6 515,-0.3 2,-0.5 -0.955 87.5 -82.6-158.2 173.3 20.3 24.3 17.9 38 46 A V E +C 33 0A 19 513,-1.8 18,-2.4 18,-0.3 2,-0.3 -0.790 57.2 157.9 -88.5 124.2 18.1 27.4 18.5 39 47 A N E -C 32 0A 2 -7,-2.4 -7,-2.6 -2,-0.5 2,-0.4 -0.903 38.1-115.1-138.2 168.5 20.3 30.6 18.6 40 48 A A E -C 31 0A 0 -2,-0.3 11,-3.2 -9,-0.2 12,-0.7 -0.895 33.2-177.7-110.5 138.5 20.1 34.3 18.1 41 49 A Y E -CE 30 50A 6 -11,-3.0 -11,-2.6 -2,-0.4 2,-0.4 -0.936 26.1-136.8-134.9 151.5 21.8 36.2 15.3 42 50 A L E -CE 29 49A 8 7,-2.0 7,-2.0 -2,-0.3 2,-0.4 -0.895 23.6-165.6 -94.2 139.7 22.4 39.7 14.0 43 51 A Y E +C 28 0A 25 -15,-2.1 -15,-2.2 -2,-0.4 5,-0.1 -0.998 20.8 163.0-126.8 129.5 22.1 39.9 10.2 44 52 A D S S- 0 0 52 3,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.015 75.6 -66.2-135.1 30.7 23.4 43.0 8.3 45 53 A G S S+ 0 0 47 1,-0.3 3,-0.1 264,-0.1 2,-0.1 0.177 117.9 41.5 113.0 -14.7 23.6 41.8 4.7 46 54 A G S S- 0 0 49 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 0.086 107.6 -5.2-127.6-123.2 26.3 39.2 4.9 47 55 A E S S- 0 0 174 -3,-0.1 -3,-0.4 1,-0.1 -1,-0.4 -0.507 72.0-110.8 -81.0 149.1 27.1 36.5 7.4 48 56 A T - 0 0 43 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.428 21.0-141.1 -69.3 151.2 25.1 36.2 10.6 49 57 A V E -E 42 0A 65 -7,-2.0 -7,-2.0 -2,-0.1 2,-0.3 -0.989 18.1-131.4-115.6 119.0 26.8 37.0 13.9 50 58 A K E -E 41 0A 97 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.546 21.1-173.6 -71.7 128.8 25.8 34.6 16.7 51 59 A L + 0 0 0 -11,-3.2 42,-2.3 -2,-0.3 43,-0.2 0.834 61.9 58.1 -93.8 -39.8 24.8 36.5 19.9 52 60 A N - 0 0 3 -12,-0.7 4,-0.1 1,-0.2 42,-0.0 -0.363 62.6-150.7 -84.5 167.6 24.4 33.7 22.4 53 61 A R S S+ 0 0 150 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.712 80.5 27.0 -96.0 -86.4 26.8 31.0 23.5 54 62 A E S S- 0 0 132 1,-0.2 -1,-0.3 -15,-0.0 -17,-0.0 -0.230 106.7 -72.2 -73.3 162.5 24.7 28.0 24.5 55 63 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -16,-0.2 -0.102 52.0-164.4 -54.8 151.4 21.3 27.2 22.9 56 64 A I - 0 0 0 -18,-2.4 -18,-0.3 495,-0.2 17,-0.2 -0.620 25.1-136.1-124.2-176.5 18.3 29.4 23.8 57 65 A N S S- 0 0 36 15,-2.8 2,-0.3 1,-0.5 16,-0.2 0.687 74.7 -34.8-111.0 -35.7 14.6 29.2 23.5 58 66 A S E -F 72 0B 46 14,-1.4 14,-2.7 -20,-0.1 -1,-0.5 -0.950 50.6-116.1-169.8 176.1 13.8 32.7 22.4 59 67 A V E -F 71 0B 7 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.956 33.9-108.4-126.9 153.0 14.6 36.4 22.7 60 68 A L - 0 0 6 10,-2.2 10,-0.3 -2,-0.3 50,-0.2 -0.504 46.3 -91.6 -77.0 150.0 12.5 39.3 24.1 61 69 A D E -j 110 0C 38 48,-2.7 50,-3.1 -2,-0.1 2,-0.3 -0.511 46.3-145.5 -61.7 115.4 11.1 41.8 21.6 62 70 A P E -j 111 0C 16 0, 0.0 -40,-0.4 0, 0.0 50,-0.2 -0.678 11.6-120.5 -85.3 139.5 13.6 44.7 21.2 63 71 A H > - 0 0 60 48,-2.3 3,-1.9 -2,-0.3 -42,-0.0 -0.499 58.0 -75.8 -61.7 144.3 12.6 48.3 20.6 64 72 A Y T 3 S+ 0 0 89 1,-0.2 -41,-0.2 -2,-0.2 -1,-0.1 -0.189 113.9 5.5 -48.2 127.3 14.1 49.4 17.3 65 73 A G T 3 S+ 0 0 30 -43,-1.6 -40,-0.9 1,-0.2 -1,-0.2 0.381 81.4 157.1 86.0 -1.9 17.8 50.1 17.5 66 74 A V B < -b 23 0A 16 -3,-1.9 -42,-2.5 -44,-0.5 -1,-0.2 -0.303 44.1-132.3 -65.4 143.4 18.5 48.9 21.1 67 75 A G S S+ 0 0 40 -44,-0.2 22,-1.5 -43,-0.1 23,-0.5 0.005 80.4 47.7 -87.2 27.7 22.2 48.0 21.8 68 76 A R E - G 0 88B 46 20,-0.3 2,-0.4 21,-0.1 20,-0.2 -0.980 62.9-144.1-157.9 165.6 21.4 44.7 23.5 69 77 A V E - G 0 87B 2 18,-2.1 18,-2.5 -2,-0.3 2,-0.7 -0.990 14.2-140.0-136.2 140.3 19.3 41.5 23.3 70 78 A I E - G 0 86B 0 -2,-0.4 -10,-2.2 -10,-0.3 16,-0.3 -0.922 19.4-155.1-106.6 111.8 17.7 39.6 26.1 71 79 A L E -FG 59 85B 0 14,-3.8 14,-2.1 -2,-0.7 2,-0.5 -0.593 4.3-148.3 -81.3 146.7 18.0 35.8 25.6 72 80 A V E +FG 58 84B 1 -14,-2.7 -15,-2.8 -2,-0.2 -14,-1.4 -0.988 24.2 178.9-115.6 117.9 15.5 33.5 27.2 73 81 A R E - G 0 83B 24 10,-2.6 10,-2.6 -2,-0.5 2,-0.5 -0.981 31.7-124.7-126.9 132.7 17.1 30.2 28.2 74 82 A D E + G 0 82B 27 -2,-0.4 8,-0.3 8,-0.3 3,-0.2 -0.597 25.9 179.2 -65.3 118.8 15.8 27.1 29.8 75 83 A V + 0 0 59 6,-2.4 -1,-0.1 -2,-0.5 7,-0.1 0.041 69.6 69.2-111.3 21.9 18.0 26.4 32.9 76 84 A S S > S- 0 0 33 5,-0.2 3,-1.4 439,-0.0 -1,-0.1 -0.083 112.6-100.6-130.4 30.2 16.0 23.3 34.1 77 85 A K T 3 S- 0 0 133 1,-0.3 438,-0.2 -3,-0.2 -2,-0.1 0.819 93.9 -32.2 54.5 39.6 16.9 20.8 31.3 78 86 A G T 3 S+ 0 0 9 3,-0.1 470,-0.6 468,-0.1 439,-0.4 0.256 108.8 110.1 106.9 -11.9 13.6 21.3 29.5 79 87 A A S < S- 0 0 27 -3,-1.4 3,-0.1 468,-0.2 -2,-0.1 0.480 84.8-121.2 -77.2 -0.2 11.1 22.1 32.3 80 88 A E + 0 0 7 1,-0.3 2,-0.9 469,-0.1 26,-0.2 0.817 62.3 145.9 63.9 35.8 10.9 25.6 31.0 81 89 A Q - 0 0 64 24,-0.1 -6,-2.4 22,-0.1 -1,-0.3 -0.930 38.9-164.4 -89.7 104.3 12.1 27.4 34.1 82 90 A H E -GH 74 104B 10 22,-2.7 22,-1.6 -2,-0.9 2,-0.3 -0.644 19.4-159.3 -96.7 147.4 13.9 30.1 32.1 83 91 A A E -G 73 0B 0 -10,-2.6 -10,-2.6 -2,-0.3 2,-0.4 -0.864 21.4-123.7-115.4 158.0 16.5 32.7 33.0 84 92 A L E -G 72 0B 0 14,-0.4 14,-3.0 17,-0.3 2,-0.4 -0.842 24.0-172.8-104.6 137.6 17.1 35.9 31.1 85 93 A F E -GI 71 97B 21 -14,-2.1 -14,-3.8 -2,-0.4 2,-0.4 -1.000 12.6-145.2-130.8 130.1 20.6 36.8 29.8 86 94 A K E -GI 70 96B 71 10,-2.9 10,-2.2 -2,-0.4 2,-0.5 -0.823 10.0-168.0 -97.7 137.3 21.6 40.0 28.2 87 95 A V E -GI 69 95B 0 -18,-2.5 -18,-2.1 -2,-0.4 2,-0.4 -0.997 21.5-133.8-118.7 118.2 24.1 40.2 25.3 88 96 A N E > -G 68 0B 78 6,-0.5 3,-1.9 -2,-0.5 -20,-0.3 -0.633 19.3-135.6 -65.7 125.5 25.4 43.7 24.4 89 97 A T T 3 S+ 0 0 2 -22,-1.5 -1,-0.1 -2,-0.4 -21,-0.1 0.789 104.2 56.2 -62.8 -28.3 25.1 43.6 20.6 90 98 A S T 3 S+ 0 0 91 -23,-0.5 -1,-0.3 1,-0.2 -22,-0.1 0.642 112.1 44.9 -70.9 -19.9 28.6 45.2 20.2 91 99 A R S X S- 0 0 140 -3,-1.9 3,-1.3 3,-0.1 -3,-0.3 -0.548 83.0-171.4-125.7 67.0 30.0 42.3 22.3 92 100 A P T 3 + 0 0 52 0, 0.0 -41,-0.2 0, 0.0 -40,-0.1 -0.317 68.4 29.3 -61.5 137.8 28.4 39.1 20.9 93 101 A G T 3 S+ 0 0 16 -42,-2.3 2,-0.6 1,-0.2 -41,-0.1 0.398 92.3 107.8 93.4 0.8 28.9 35.9 22.8 94 102 A E < - 0 0 100 -3,-1.3 -6,-0.5 -6,-0.2 2,-0.4 -0.956 50.9-172.5-114.5 114.2 29.2 37.6 26.2 95 103 A E E -I 87 0B 50 -2,-0.6 2,-0.4 -8,-0.1 -8,-0.2 -0.842 16.2-164.9-110.3 141.1 26.2 37.0 28.3 96 104 A Q E -I 86 0B 124 -10,-2.2 -10,-2.9 -2,-0.4 2,-0.1 -0.977 22.7-132.7-123.2 116.1 25.2 38.4 31.6 97 105 A R E -I 85 0B 74 -2,-0.4 2,-1.4 -12,-0.3 -12,-0.3 -0.411 14.8-128.4 -58.4 133.6 22.4 36.7 33.5 98 106 A L > - 0 0 16 -14,-3.0 3,-1.4 1,-0.2 -14,-0.4 -0.720 30.9-176.2 -84.9 90.6 19.7 39.0 34.9 99 107 A E T 3 S+ 0 0 141 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.0 0.641 70.3 72.4 -72.2 -17.4 20.0 37.6 38.4 100 108 A A T 3 S+ 0 0 60 1,-0.1 2,-0.9 -3,-0.1 -1,-0.3 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2,-0.2 -1,-0.2 0.950 114.3 41.8 -68.9 -51.3 -6.7 16.2 36.8 468 476 A E H > S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.932 116.6 50.3 -65.0 -40.5 -3.3 14.8 37.6 469 477 A M H < S+ 0 0 2 -4,-2.3 3,-0.3 2,-0.2 4,-0.3 0.888 107.4 54.6 -61.8 -39.6 -1.7 17.2 35.1 470 478 A Y H >< S+ 0 0 57 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.948 106.6 50.4 -60.4 -47.3 -3.6 20.1 36.7 471 479 A E H 3< S+ 0 0 141 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 114.5 45.6 -64.9 -22.9 -2.2 19.3 40.1 472 480 A L T 3< S+ 0 0 80 -4,-1.2 -1,-0.3 -3,-0.3 2,-0.2 0.357 97.8 100.8 -95.7 2.5 1.3 19.2 38.6 473 481 A S < - 0 0 6 -3,-1.8 45,-0.1 -4,-0.3 -3,-0.0 -0.593 68.7-123.3 -98.3 149.6 0.8 22.4 36.6 474 482 A D > - 0 0 15 43,-0.3 4,-2.6 -2,-0.2 5,-0.2 -0.183 47.3 -83.3 -73.6 175.2 2.0 26.0 37.3 475 483 A A H > S+ 0 0 12 -353,-2.0 4,-2.1 -350,-0.2 -349,-0.2 0.832 127.4 50.4 -54.4 -41.9 -0.4 28.9 37.5 476 484 A A H > S+ 0 0 0 -354,-0.3 4,-2.6 -351,-0.2 -331,-0.4 0.964 115.3 41.0 -60.2 -53.4 -0.6 29.5 33.8 477 485 A F H > S+ 0 0 4 2,-0.2 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-5,-0.5 -1,-0.2 -6,-0.4 2,-0.2 0.229 87.9 140.9 83.3 -15.9 -13.3 23.5 35.6 488 496 A S > - 0 0 52 -3,-0.4 4,-2.0 -6,-0.2 -1,-0.3 -0.419 48.6-150.1 -59.3 127.0 -15.7 20.6 35.9 489 497 A R H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.808 98.3 58.3 -70.0 -30.9 -14.1 17.5 37.6 490 498 A E H > S+ 0 0 130 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.895 108.5 44.4 -64.2 -40.7 -16.4 15.3 35.6 491 499 A I H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.918 112.2 53.2 -67.1 -43.9 -15.1 16.7 32.3 492 500 A M H < S+ 0 0 10 -4,-2.0 -26,-0.7 2,-0.2 -25,-0.4 0.880 119.7 33.7 -57.7 -37.5 -11.5 16.5 33.6 493 501 A R H >< S+ 0 0 54 -4,-2.1 3,-1.6 2,-0.1 6,-0.3 0.938 118.7 47.3 -85.2 -53.4 -12.0 12.8 34.4 494 502 A S H 3< S+ 0 0 35 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.801 113.3 49.6 -63.6 -27.9 -14.4 11.6 31.7 495 503 A R T 3< S+ 0 0 56 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 0.214 86.6 101.6 -98.4 15.3 -12.3 13.2 28.9 496 504 A S X - 0 0 0 -3,-1.6 3,-2.0 1,-0.1 -31,-0.1 -0.890 66.7-146.9-102.2 118.7 -9.0 11.8 30.1 497 505 A P G > S+ 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S S+ 0 0 28 -439,-0.4 -43,-0.3 3,-0.1 -1,-0.1 0.391 78.4 50.3-111.5 -0.1 6.3 20.7 32.3 518 526 A R S S+ 0 0 62 1,-0.2 -46,-0.1 -45,-0.1 -2,-0.1 0.812 129.7 18.7 -92.8 -54.5 3.2 21.4 30.1 519 527 A T S S- 0 0 0 -56,-0.1 -1,-0.2 -55,-0.0 -3,-0.2 -0.828 97.7-148.3-115.5 88.3 2.3 17.8 29.5 520 528 A P - 0 0 17 0, 0.0 4,-0.5 0, 0.0 -3,-0.1 -0.105 14.2-131.3 -67.7 158.2 4.2 16.1 32.4 521 529 A L S >> S+ 0 0 2 -5,-0.5 4,-1.8 -7,-0.4 3,-0.7 0.784 91.5 80.8 -74.9 -32.3 5.6 12.6 32.1 522 530 A K H 3> S+ 0 0 110 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.878 94.0 43.6 -50.4 -51.8 4.1 11.3 35.4 523 531 A P H 3> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.829 110.4 58.4 -64.4 -31.1 0.6 10.6 34.1 524 532 A L H <> S+ 0 0 1 -3,-0.7 4,-2.3 -4,-0.5 -2,-0.2 0.853 101.6 53.7 -64.9 -36.8 2.1 9.0 31.0 525 533 A L H X S+ 0 0 16 -4,-1.8 4,-1.8 -3,-0.5 -1,-0.2 0.909 109.6 48.9 -61.5 -39.3 4.0 6.5 33.2 526 534 A R H X S+ 0 0 96 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.902 107.7 54.0 -66.4 -41.4 0.6 5.6 34.8 527 535 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 107.4 50.9 -56.0 -47.3 -0.9 5.2 31.3 528 536 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.870 107.4 54.4 -57.8 -39.9 1.9 2.8 30.5 529 537 A G H X S+ 0 0 28 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.910 110.3 45.5 -56.2 -44.2 1.0 1.0 33.7 530 538 A E H X S+ 0 0 54 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.874 112.0 51.0 -70.2 -39.6 -2.6 0.6 32.6 531 539 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 -1,-0.2 0.884 113.0 46.8 -63.4 -41.9 -1.6 -0.5 29.1 532 540 A L H ><5S+ 0 0 38 -4,-2.3 3,-1.9 3,-0.2 -2,-0.2 0.973 112.6 47.5 -63.4 -57.2 0.7 -3.1 30.6 533 541 A A H 3<5S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.799 112.8 49.9 -57.6 -30.0 -1.9 -4.4 33.1 534 542 A R T 3<5S- 0 0 107 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.255 113.6-114.8 -98.7 12.4 -4.6 -4.6 30.4 535 543 A G T < 5 + 0 0 64 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.784 59.0 160.7 66.3 29.7 -2.4 -6.5 28.0 536 544 A K < - 0 0 28 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.620 43.0-116.6 -87.7 142.7 -2.4 -3.7 25.4 537 545 A T + 0 0 25 -2,-0.3 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