==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-APR-07 2YV5 . COMPND 2 MOLECULE: YJEQ PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.WANG,T.KAMINISHI,K.HANAWA-SUETSUGU,C.TAKEMOTO,T.TERADA, . 293 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 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 . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 3 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 0 PARALLEL BRIDGES PER LADDER . 0 1 2 2 0 2 0 0 0 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 1 0 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 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 0 229 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -65.4 8.2 58.1 31.7 2 2 A G + 0 0 83 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.431 360.0 84.7-107.4 -13.7 11.8 58.0 33.0 3 3 A K S S- 0 0 187 1,-0.1 2,-0.1 3,-0.0 0, 0.0 -0.648 82.7-124.2 -91.6 142.0 11.1 54.3 32.6 4 4 A K - 0 0 112 -2,-0.3 2,-1.5 1,-0.1 -2,-0.1 -0.345 25.5-107.8 -81.9 161.8 11.5 52.3 29.4 5 5 A E - 0 0 135 49,-0.1 49,-0.4 -2,-0.1 2,-0.3 -0.635 47.1-165.9 -87.5 75.6 8.8 50.2 27.7 6 6 A L + 0 0 66 -2,-1.5 2,-0.3 47,-0.1 47,-0.2 -0.478 11.4 176.7 -73.7 131.6 10.4 46.9 28.7 7 7 A K E -A 52 0A 52 45,-2.8 45,-2.0 -2,-0.3 2,-0.3 -0.935 26.8-114.3-129.9 154.5 9.2 43.8 26.8 8 8 A R E +A 51 0A 88 -2,-0.3 16,-1.5 43,-0.2 17,-0.5 -0.702 37.0 164.2 -95.3 140.5 10.3 40.2 27.0 9 9 A G E -AB 50 23A 0 41,-2.9 41,-2.5 -2,-0.3 2,-0.4 -0.865 29.3-126.8-142.8 175.5 11.9 38.2 24.2 10 10 A L E -AB 49 22A 0 12,-2.1 12,-2.9 -2,-0.3 2,-0.7 -0.993 25.0-122.4-128.9 131.2 13.9 35.1 23.5 11 11 A V E + B 0 21A 0 37,-2.9 36,-2.9 -2,-0.4 10,-0.2 -0.611 40.9 162.8 -72.9 114.2 17.1 34.9 21.6 12 12 A V E + 0 0 2 8,-2.4 191,-2.9 -2,-0.7 2,-0.4 0.532 61.3 43.5-108.8 -10.2 16.3 32.5 18.7 13 13 A D E +CB 202 20A 53 7,-1.4 7,-3.1 189,-0.2 2,-0.3 -0.995 57.7 170.7-137.9 128.9 19.2 33.3 16.3 14 14 A R E +CB 201 19A 68 187,-1.7 187,-1.8 -2,-0.4 2,-0.3 -0.848 10.7 154.4-145.2 104.1 22.8 33.8 17.3 15 15 A E E > - B 0 18A 86 3,-1.6 3,-1.9 -2,-0.3 185,-0.1 -0.997 63.4 -64.1-134.0 133.8 25.5 34.0 14.7 16 16 A A T 3 S- 0 0 88 -2,-0.3 184,-0.0 1,-0.3 182,-0.0 0.115 127.0 -3.2 29.6 -82.8 29.0 35.8 15.0 17 17 A Q T 3 S+ 0 0 178 -2,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.752 117.2 91.8-104.3 -23.8 27.9 39.3 15.5 18 18 A M E < -B 15 0A 105 -3,-1.9 -3,-1.6 15,-0.0 2,-0.4 -0.353 46.4-169.4 -88.2 150.9 24.1 38.9 15.1 19 19 A I E -B 14 0A 9 13,-0.4 13,-3.4 -5,-0.2 2,-0.5 -0.998 6.9-160.4-131.3 125.0 21.3 38.3 17.6 20 20 A G E -BD 13 31A 8 -7,-3.1 -8,-2.4 -2,-0.4 -7,-1.4 -0.936 10.3-161.0-107.8 128.3 17.7 37.5 16.6 21 21 A V E -BD 11 30A 0 9,-3.0 9,-3.3 -2,-0.5 2,-0.6 -0.943 10.5-150.5-117.5 122.8 15.0 38.1 19.2 22 22 A Y E -BD 10 29A 47 -12,-2.9 -12,-2.1 -2,-0.5 2,-0.6 -0.800 19.6-143.9 -86.4 117.2 11.6 36.5 19.1 23 23 A L E >> -B 9 0A 1 5,-3.1 4,-2.5 -2,-0.6 3,-0.7 -0.758 2.7-153.2 -86.8 119.3 9.2 39.0 20.9 24 24 A F T 34 S+ 0 0 74 -16,-1.5 -1,-0.2 -2,-0.6 -15,-0.1 0.872 88.8 65.2 -60.9 -35.1 6.6 37.1 22.8 25 25 A E T 34 S+ 0 0 131 -17,-0.5 -1,-0.2 1,-0.2 -16,-0.1 0.869 125.4 7.6 -56.1 -39.6 4.1 39.9 22.6 26 26 A D T <4 S- 0 0 62 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.439 92.1-121.2-125.8 0.0 3.7 39.6 18.8 27 27 A G < + 0 0 33 -4,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.651 67.8 134.1 68.9 14.8 5.7 36.5 17.7 28 28 A K - 0 0 126 -5,-0.5 -5,-3.1 -6,-0.0 2,-0.5 -0.669 54.6-127.3 -96.4 152.9 7.9 38.6 15.4 29 29 A T E -D 22 0A 76 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.880 28.0-169.9-103.7 129.9 11.7 38.3 15.3 30 30 A Y E -D 21 0A 14 -9,-3.3 -9,-3.0 -2,-0.5 2,-0.6 -0.772 32.4-103.5-114.4 157.7 13.7 41.5 15.7 31 31 A R E -De 20 59A 145 27,-2.6 29,-2.9 -2,-0.3 2,-0.4 -0.718 44.6-137.8 -79.7 123.0 17.3 42.3 15.2 32 32 A G E - e 0 60A 4 -13,-3.4 -13,-0.4 -2,-0.6 29,-0.2 -0.699 20.6-172.1 -88.8 134.7 18.7 42.5 18.8 33 33 A I E - e 0 61A 62 27,-2.5 29,-2.0 -2,-0.4 -15,-0.0 -0.953 21.8-130.5-128.0 112.7 21.1 45.2 19.8 34 34 A P E - e 0 62A 52 0, 0.0 2,-0.5 0, 0.0 29,-0.2 -0.306 18.3-156.8 -61.5 143.1 22.8 45.1 23.2 35 35 A R + 0 0 89 27,-2.2 2,-0.2 26,-0.0 4,-0.1 -0.905 50.6 29.2-125.1 101.7 22.5 48.4 25.1 36 36 A G S S- 0 0 55 -2,-0.5 26,-0.0 1,-0.1 27,-0.0 -0.590 75.2 -93.3 136.0 162.7 25.2 49.0 27.8 37 37 A K S S+ 0 0 201 -2,-0.2 3,-0.4 1,-0.2 -1,-0.1 0.851 117.4 47.4 -83.4 -39.2 28.7 48.4 29.0 38 38 A V S > S+ 0 0 121 1,-0.2 2,-2.5 2,-0.1 3,-1.0 0.904 101.1 82.1 -65.1 -32.8 28.5 45.3 31.3 39 39 A L T 3 S+ 0 0 15 1,-0.3 -1,-0.2 2,-0.2 -3,-0.1 -0.163 83.1 51.3 -66.9 45.5 26.5 44.1 28.3 40 40 A K T 3 S+ 0 0 181 -2,-2.5 -1,-0.3 -3,-0.4 3,-0.1 0.035 110.5 44.3-169.0 31.4 29.4 43.0 26.1 41 41 A K S < S+ 0 0 194 -3,-1.0 2,-0.6 2,-0.0 -2,-0.2 -0.161 97.4 92.6-160.9 8.2 31.3 40.8 28.5 42 42 A T S S- 0 0 45 -4,-0.1 2,-0.3 -5,-0.1 0, 0.0 -0.983 82.9-139.7-108.4 112.2 27.8 39.6 29.2 43 43 A K - 0 0 140 -2,-0.6 2,-0.5 -3,-0.1 -3,-0.0 -0.659 14.3-158.5 -84.7 136.2 27.6 36.7 26.8 44 44 A I + 0 0 9 -2,-0.3 2,-0.3 -5,-0.0 3,-0.0 -0.968 14.5 179.2-115.6 126.7 24.3 36.2 25.0 45 45 A Y > - 0 0 36 -2,-0.5 3,-2.0 1,-0.1 -34,-0.2 -0.792 41.2 -82.6-122.3 166.8 23.4 32.9 23.6 46 46 A A B 3 S+g 77 0B 0 30,-0.7 32,-3.0 -2,-0.3 -34,-0.2 -0.407 119.4 37.1 -59.5 144.0 20.4 31.3 21.7 47 47 A G T 3 S+ 0 0 0 -36,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.250 84.6 129.7 94.9 -16.3 17.9 30.4 24.4 48 48 A D < - 0 0 0 -3,-2.0 -37,-2.9 -37,-0.1 2,-0.4 -0.537 54.5-135.1 -74.2 140.2 18.6 33.4 26.6 49 49 A Y E -A 10 0A 32 17,-0.2 17,-3.0 -39,-0.2 2,-0.3 -0.810 29.6-173.6 -95.7 136.1 15.5 35.4 27.7 50 50 A V E -AF 9 65A 0 -41,-2.5 -41,-2.9 -2,-0.4 2,-0.4 -0.854 22.3-148.9-130.1 161.9 15.9 39.1 27.4 51 51 A W E +AF 8 64A 80 13,-2.0 13,-2.3 -2,-0.3 12,-2.2 -0.981 41.1 120.8-126.1 139.2 14.0 42.3 28.2 52 52 A G E -AF 7 62A 0 -45,-2.0 -45,-2.8 -2,-0.4 2,-0.4 -0.925 53.8 -78.0-170.9-165.0 14.4 45.4 26.0 53 53 A E E - F 0 61A 38 8,-2.0 8,-3.0 -2,-0.3 2,-0.4 -0.945 29.6-124.3-122.2 139.5 12.6 47.9 23.9 54 54 A V E - F 0 60A 56 -2,-0.4 6,-0.3 -49,-0.4 -49,-0.1 -0.687 27.7-177.3 -76.6 129.1 11.2 47.7 20.4 55 55 A V E - 0 0 81 4,-3.1 -1,-0.2 1,-0.5 5,-0.2 0.728 63.1 -22.8 -98.2 -32.0 12.9 50.6 18.6 56 56 A D E > S- F 0 59A 66 3,-1.2 3,-1.9 0, 0.0 -1,-0.5 -0.943 88.9 -66.7-167.7 169.4 11.2 50.2 15.2 57 57 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.624 132.3 28.2 -42.2 -20.6 9.5 47.4 13.1 58 58 A N T 3 S+ 0 0 117 1,-0.1 -27,-2.6 -28,-0.1 2,-0.4 0.409 108.6 72.3-127.3 5.8 12.8 45.5 12.8 59 59 A T E < -eF 31 56A 20 -3,-1.9 -4,-3.1 -29,-0.2 -3,-1.2 -0.977 45.7-172.3-134.6 136.8 14.9 46.3 15.8 60 60 A F E -eF 32 54A 0 -29,-2.9 -27,-2.5 -2,-0.4 2,-0.7 -0.981 18.6-143.2-126.3 120.3 14.9 45.5 19.5 61 61 A A E -eF 33 53A 4 -8,-3.0 -8,-2.0 -2,-0.5 2,-0.6 -0.757 19.0-138.5 -86.7 116.8 17.3 47.1 22.0 62 62 A I E +eF 34 52A 0 -29,-2.0 -27,-2.2 -2,-0.7 -10,-0.3 -0.665 31.1 166.1 -81.8 117.5 18.4 44.6 24.6 63 63 A E E + 0 0 46 -12,-2.2 2,-0.3 -2,-0.6 -11,-0.2 0.737 63.6 13.5 -99.0 -32.9 18.5 46.0 28.1 64 64 A E E - F 0 51A 99 -13,-2.3 -13,-2.0 -25,-0.0 2,-0.4 -0.992 54.7-148.3-147.1 155.1 18.8 42.9 30.3 65 65 A V E - F 0 50A 38 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.992 28.8-125.6-123.2 126.8 19.5 39.2 30.1 66 66 A E - 0 0 54 -17,-3.0 -17,-0.2 -2,-0.4 2,-0.1 -0.361 34.5 -94.4 -70.7 152.3 17.7 36.8 32.5 67 67 A E - 0 0 191 -19,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.439 47.2-127.8 -62.9 136.4 19.8 34.5 34.6 68 68 A R - 0 0 79 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.650 10.7-150.6 -93.8 150.0 19.9 31.2 32.8 69 69 A K S S- 0 0 120 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.624 78.9 -8.6 -90.6 -16.6 19.0 27.8 34.4 70 70 A N - 0 0 15 2,-0.0 9,-1.7 41,-0.0 2,-0.3 -0.966 55.9-148.7-166.7 169.5 21.4 25.8 32.2 71 71 A L E -H 78 0B 49 38,-0.4 7,-0.2 -2,-0.3 2,-0.1 -0.842 12.8-151.7-153.2 112.7 23.7 26.1 29.2 72 72 A L E > -H 77 0B 2 5,-2.8 5,-0.6 -2,-0.3 -2,-0.0 -0.475 8.1-148.1 -82.3 157.5 24.4 23.3 26.8 73 73 A I E 5S+H 76 0B 88 1,-0.3 3,-0.3 3,-0.2 -1,-0.1 0.416 79.5 68.4-105.7 -1.9 27.7 23.1 24.9 74 74 A R T 5S+ 0 0 122 1,-1.0 -1,-0.3 3,-0.1 144,-0.3 -0.717 119.6 8.6-161.0 104.4 26.3 21.5 21.7 75 75 A P T 5S- 0 0 9 0, 0.0 2,-1.3 0, 0.0 -1,-1.0 0.766 103.0-118.4 -74.3 172.9 24.5 23.3 20.3 76 76 A K E 5 + H 0 73B 93 -3,-0.3 -30,-0.7 -2,-0.2 2,-0.4 -0.666 60.0 144.8 -82.0 97.9 25.4 26.4 22.5 77 77 A V E < -gH 46 72B 0 -2,-1.3 -5,-2.8 -5,-0.6 3,-0.3 -0.998 37.4-144.2-143.2 137.0 21.9 27.1 23.9 78 78 A A E S+ H 0 71B 0 -32,-3.0 -7,-0.2 -2,-0.4 -34,-0.0 -0.580 73.7 18.8 -97.3 159.3 20.6 28.4 27.2 79 79 A N S S- 0 0 9 -9,-1.7 2,-0.4 -2,-0.2 88,-0.3 0.827 71.1-179.8 54.0 44.1 17.5 27.5 29.2 80 80 A V - 0 0 1 -3,-0.3 32,-0.3 1,-0.2 -1,-0.2 -0.615 14.1-169.7 -77.7 127.9 16.8 24.2 27.5 81 81 A D + 0 0 21 86,-2.5 31,-0.5 -2,-0.4 2,-0.4 0.840 69.9 11.7 -84.4 -38.5 13.7 22.6 29.0 82 82 A R E -ij 112 168C 46 85,-1.7 87,-1.6 29,-0.1 2,-0.6 -0.995 54.9-151.4-143.2 134.0 14.0 19.2 27.3 83 83 A V E -ij 113 169C 0 29,-2.0 31,-2.1 -2,-0.4 2,-1.0 -0.930 25.2-145.0 -97.3 125.1 16.6 17.3 25.4 84 84 A I E -ij 114 170C 0 85,-3.9 87,-3.0 -2,-0.6 2,-0.9 -0.805 11.8-160.7 -93.2 103.1 14.6 15.0 23.1 85 85 A I E -ij 115 171C 0 29,-2.4 31,-2.7 -2,-1.0 2,-0.4 -0.778 7.8-154.5 -89.1 107.3 16.8 11.9 22.9 86 86 A V E +i 116 0C 0 85,-3.0 2,-0.3 -2,-0.9 31,-0.2 -0.686 22.5 165.8 -85.0 130.5 15.6 10.0 19.8 87 87 A E E -i 117 0C 10 29,-2.5 31,-2.9 -2,-0.4 2,-0.3 -0.906 20.7-155.8-136.8 165.3 16.2 6.3 19.8 88 88 A T - 0 0 0 -2,-0.3 31,-0.1 29,-0.2 3,-0.1 -0.994 21.7-137.9-143.4 146.7 15.1 3.2 17.9 89 89 A L S >S+ 0 0 14 29,-0.5 5,-2.4 -2,-0.3 2,-0.3 0.931 94.5 6.5 -68.6 -42.7 14.9 -0.4 18.8 90 90 A K T 5S+ 0 0 76 3,-0.3 3,-0.2 1,-0.2 -1,-0.2 -0.923 100.7 65.2-136.8 161.7 16.3 -1.3 15.4 91 91 A M T 5S+ 0 0 120 -2,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.943 127.6 26.2 53.8 65.2 17.7 0.6 12.4 92 92 A P T 5S- 0 0 45 0, 0.0 -4,-0.2 0, 0.0 2,-0.1 0.459 116.2-115.8 -84.8 165.1 19.9 1.4 14.1 93 93 A E T 5 - 0 0 139 -3,-0.2 -3,-0.3 -2,-0.1 -4,-0.1 -0.405 37.1-109.5 -60.6 130.0 20.2 -1.3 16.8 94 94 A F < - 0 0 28 -5,-2.4 2,-0.5 -2,-0.1 -1,-0.1 -0.312 28.2-162.7 -61.9 139.3 19.4 0.1 20.2 95 95 A N > - 0 0 64 1,-0.1 4,-1.9 -3,-0.1 3,-0.2 -0.877 6.1-173.2-127.4 97.1 22.4 0.4 22.5 96 96 A N H > S+ 0 0 39 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.799 82.7 59.5 -63.0 -29.3 21.2 0.9 26.0 97 97 A Y H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.939 107.4 44.8 -65.2 -45.3 24.8 1.5 27.3 98 98 A L H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 123,-0.3 0.873 111.6 52.8 -68.7 -34.0 25.2 4.5 25.1 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.933 109.0 50.8 -65.1 -41.7 21.8 5.8 26.0 100 100 A D H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 109.0 51.1 -60.5 -40.1 22.7 5.5 29.7 101 101 A N H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.939 111.6 47.8 -61.0 -45.3 25.9 7.4 29.0 102 102 A M H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.890 109.6 52.1 -64.5 -39.3 23.9 10.2 27.3 103 103 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.910 108.5 51.3 -62.9 -41.4 21.4 10.4 30.1 104 104 A V H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.939 110.5 50.3 -60.0 -45.4 24.2 10.8 32.7 105 105 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.922 111.5 45.4 -62.9 -45.5 25.7 13.6 30.6 106 106 A Y H <>S+ 0 0 1 -4,-2.4 5,-2.3 2,-0.2 -1,-0.2 0.854 110.5 53.9 -70.6 -28.3 22.4 15.5 30.2 107 107 A E H ><5S+ 0 0 37 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.2 0.921 107.8 52.1 -67.0 -39.4 21.7 15.1 33.9 108 108 A Y H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.890 107.8 50.5 -62.4 -40.2 25.1 16.6 34.6 109 109 A F T 3<5S- 0 0 28 -4,-1.9 -38,-0.4 -5,-0.1 -1,-0.3 0.385 116.4-119.3 -79.2 4.8 24.3 19.6 32.3 110 110 A K T < 5 + 0 0 168 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.889 68.0 133.8 60.5 43.7 21.0 20.0 34.3 111 111 A V < - 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0 0 22 -3,-1.2 -3,-0.1 1,-0.1 -7,-0.0 -0.467 44.2-165.5 -70.0 128.2 28.5 4.3 48.9 250 258 A T - 0 0 47 -2,-0.2 -1,-0.1 -17,-0.0 -17,-0.0 0.464 32.4-127.6 -90.5 -4.4 30.0 3.8 45.4 251 259 A H S S+ 0 0 3 1,-0.1 -2,-0.1 -18,-0.0 26,-0.0 0.878 82.4 95.5 59.7 38.0 27.9 0.7 44.7 252 260 A T S S- 0 0 16 31,-0.0 5,-0.1 25,-0.0 -1,-0.1 0.476 96.4 -5.2-117.6 -91.9 31.0 -1.2 43.7 253 261 A N S S+ 0 0 124 3,-0.0 3,-0.0 31,-0.0 31,-0.0 0.464 90.7 121.0 -88.9 -2.5 32.7 -3.5 46.3 254 262 A E > - 0 0 45 1,-0.2 3,-1.3 2,-0.1 6,-0.1 -0.484 57.6-147.0 -63.1 119.0 30.5 -2.5 49.3 255 263 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.757 91.7 36.0 -61.6 -29.6 29.1 -5.9 50.3 256 264 A G T 3 S+ 0 0 64 4,-0.0 5,-0.1 5,-0.0 -2,-0.1 0.076 80.4 161.0-112.0 21.6 25.7 -4.7 51.6 257 265 A C <> - 0 0 6 -3,-1.3 4,-2.0 1,-0.1 5,-0.1 -0.143 37.7-143.0 -45.8 127.3 25.2 -1.9 49.1 258 266 A A H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.788 100.5 55.3 -66.0 -30.2 21.4 -0.9 49.0 259 267 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 108.5 47.2 -68.8 -44.7 21.6 -0.4 45.2 260 268 A K H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.897 111.8 50.9 -63.6 -37.2 22.9 -3.9 44.7 261 269 A E H X S+ 0 0 122 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.919 109.1 51.6 -65.1 -38.6 20.2 -5.2 47.0 262 270 A A H <>S+ 0 0 1 -4,-2.1 5,-2.5 1,-0.2 6,-1.2 0.886 109.7 49.2 -65.7 -36.7 17.7 -3.2 44.9 263 271 A V H ><5S+ 0 0 4 -4,-2.4 3,-1.4 4,-0.2 -1,-0.2 0.939 109.4 51.9 -67.0 -44.9 19.1 -4.9 41.7 264 272 A K H 3<5S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.891 113.3 45.0 -57.5 -41.1 18.8 -8.3 43.4 265 273 A N T 3<5S- 0 0 106 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.378 117.4-110.9 -87.5 5.1 15.2 -7.6 44.2 266 274 A G T < 5S+ 0 0 60 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.574 87.2 115.5 80.5 9.4 14.3 -6.2 40.8 267 275 A E S - 0 0 25 -2,-0.4 4,-2.3 -132,-0.1 5,-0.2 -0.429 7.1-135.5 -75.5 146.0 17.4 -3.1 36.5 270 278 A a H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.840 106.5 61.2 -63.2 -33.4 20.5 -5.2 35.8 271 279 A E H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.947 108.3 39.8 -58.8 -49.7 20.8 -3.4 32.5 272 280 A R H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 115.5 51.5 -67.5 -42.9 21.2 0.1 34.1 273 281 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.942 108.9 50.8 -62.8 -43.1 23.4 -1.2 36.9 274 282 A K H X S+ 0 0 99 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.888 108.1 53.3 -62.1 -36.5 25.7 -3.0 34.4 275 283 A S H X S+ 0 0 4 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.907 106.5 53.7 -62.7 -40.1 26.0 0.3 32.4 276 284 A Y H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.954 110.4 44.5 -57.5 -51.6 27.0 2.1 35.6 277 285 A L H <>S+ 0 0 9 -4,-2.0 5,-2.6 1,-0.2 4,-0.4 0.879 112.3 52.9 -62.6 -39.4 29.9 -0.3 36.3 278 286 A K H ><5S+ 0 0 127 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.916 107.5 51.8 -63.6 -42.7 31.0 -0.3 32.7 279 287 A I H 3<5S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.5 39.7 -60.8 -44.0 31.2 3.5 32.7 280 288 A I T 3<5S- 0 0 28 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.410 113.4-122.3 -87.3 4.7 33.3 3.7 35.8 281 289 A K T < 5 + 0 0 187 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.910 59.6 145.2 56.8 51.7 35.3 0.7 34.5 282 290 A V < - 0 0 50 -5,-2.6 2,-0.5 -6,-0.1 -1,-0.2 -0.973 34.3-158.3-119.7 128.2 34.7 -1.7 37.5 283 291 A Y - 0 0 165 -2,-0.5 2,-0.5 -5,-0.0 3,-0.1 -0.939 10.0-168.6-106.6 127.9 34.3 -5.4 37.0 284 292 A L > - 0 0 22 -2,-0.5 3,-1.6 1,-0.1 4,-0.3 -0.970 20.3-158.3-120.7 119.0 32.4 -7.2 39.8 285 293 A E T > S+ 0 0 150 -2,-0.5 3,-1.8 1,-0.3 4,-0.3 0.888 93.7 68.9 -56.6 -39.4 32.4 -11.0 40.1 286 294 A E T >> S+ 0 0 70 1,-0.3 4,-1.7 2,-0.2 3,-1.6 0.681 75.7 82.4 -52.9 -23.7 29.3 -10.5 42.2 287 295 A I H <> S+ 0 0 27 -3,-1.6 4,-3.2 1,-0.3 -1,-0.3 0.841 82.9 62.7 -54.7 -32.9 27.2 -9.3 39.2 288 296 A K H <4 S+ 0 0 140 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.812 107.0 43.7 -62.0 -30.7 26.7 -13.0 38.3 289 297 A E H <4 S+ 0 0 107 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.773 116.8 44.9 -85.7 -29.1 24.8 -13.4 41.5 290 298 A L H < S+ 0 0 8 -4,-1.7 2,-0.6 1,-0.2 -2,-0.2 0.866 118.4 44.4 -79.0 -38.6 22.8 -10.2 41.3 291 299 A a S < S+ 0 0 15 -4,-3.2 -1,-0.2 -5,-0.2 -27,-0.1 -0.877 73.1 104.0-115.6 101.5 21.9 -10.7 37.6 292 300 A R S S+ 0 0 159 -2,-0.6 -1,-0.1 -3,-0.2 -4,-0.1 0.246 74.2 52.2-158.0 8.8 20.8 -14.2 36.8 293 301 A E 0 0 105 -3,-0.2 -2,-0.1 1,-0.1 -3,-0.0 0.737 360.0 360.0-118.3 -51.0 17.0 -14.1 36.4 294 302 A D 0 0 170 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 -0.173 360.0 360.0 49.1 360.0 16.0 -11.3 33.9