==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-04 1T9H . COMPND 2 MOLECULE: PROBABLE GTPASE ENGC; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR V.M.LEVDIKOV,E.V.BLAGOVA,J.A.BRANNIGAN,L.CLADIERE, . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 0 1 0 1 0 0 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 -7 A A 0 0 145 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.9 7.1 -16.8 -17.4 2 -6 A R + 0 0 256 2,-0.0 2,-0.3 3,-0.0 0, 0.0 -0.550 360.0 157.6 -77.2 132.7 9.3 -16.4 -14.3 3 -5 A H + 0 0 144 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.982 51.9 14.5-154.3 154.5 12.3 -18.6 -14.1 4 -4 A H > + 0 0 131 -2,-0.3 3,-1.6 1,-0.1 -1,-0.0 0.747 64.6 156.3 51.6 36.0 15.6 -18.8 -12.4 5 -3 A H T 3 + 0 0 94 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.777 67.0 58.8 -53.9 -31.9 14.7 -16.0 -9.9 6 -2 A H T 3 S+ 0 0 63 1,-0.2 2,-1.0 53,-0.1 54,-0.4 0.503 79.0 90.8 -86.1 -3.0 17.3 -17.3 -7.4 7 -1 A H S < S+ 0 0 143 -3,-1.6 2,-0.3 52,-0.1 -1,-0.2 -0.355 76.7 71.2 -93.2 53.6 20.3 -17.0 -9.7 8 0 A H S S- 0 0 85 -2,-1.0 52,-0.3 52,-0.2 -4,-0.0 -0.890 86.1-107.0-147.6 179.7 21.2 -13.4 -8.7 9 1 A M - 0 0 116 -2,-0.3 50,-0.2 50,-0.1 -2,-0.1 -0.799 43.3-168.6-114.8 82.6 22.7 -11.7 -5.7 10 2 A P - 0 0 9 0, 0.0 48,-2.2 0, 0.0 2,-0.3 -0.188 9.0-137.1 -70.1 166.1 19.8 -9.8 -4.1 11 3 A E E +A 57 0A 104 46,-0.2 17,-0.4 17,-0.1 2,-0.3 -0.887 31.8 140.9-124.4 152.9 20.1 -7.2 -1.4 12 4 A G E -A 56 0A 12 44,-2.1 44,-2.9 -2,-0.3 2,-0.4 -0.924 42.6 -92.5-166.3-169.3 18.1 -6.6 1.8 13 5 A K E -AB 55 25A 49 12,-1.8 12,-2.9 -2,-0.3 2,-0.5 -0.978 32.2-117.6-125.8 134.9 18.2 -5.6 5.4 14 6 A I E + B 0 24A 0 40,-2.5 39,-3.4 -2,-0.4 10,-0.2 -0.611 35.7 169.9 -69.8 120.6 18.5 -7.8 8.5 15 7 A I E + 0 0 20 8,-3.0 186,-2.6 -2,-0.5 2,-0.3 0.537 65.2 21.5-108.8 -13.2 15.3 -7.3 10.5 16 8 A K E - B 0 23A 56 7,-1.0 7,-2.9 184,-0.2 2,-0.4 -0.978 55.6-170.8-154.0 144.1 15.7 -10.1 13.1 17 9 A A E + B 0 22A 14 182,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.955 25.0 154.1-140.1 113.7 18.7 -12.1 14.3 18 10 A L E > - B 0 21A 76 3,-2.1 3,-2.0 -2,-0.4 -2,-0.0 -0.970 58.2 -17.5-151.8 129.1 17.9 -15.1 16.5 19 11 A S T 3 S- 0 0 114 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.703 127.8 -40.1 53.3 36.2 19.5 -18.4 17.4 20 12 A G T 3 S+ 0 0 29 1,-0.3 19,-0.4 18,-0.0 2,-0.3 0.431 117.8 101.1 95.1 1.7 21.9 -18.5 14.6 21 13 A F E < -B 18 0A 35 -3,-2.0 -3,-2.1 17,-0.1 2,-0.4 -0.873 53.6-154.3-117.2 154.7 19.6 -17.2 11.8 22 14 A Y E -BC 17 37A 21 15,-2.4 15,-2.6 -2,-0.3 2,-0.6 -0.998 12.9-146.1-127.8 123.7 19.4 -13.8 10.2 23 15 A Y E -BC 16 36A 49 -7,-2.9 -8,-3.0 -2,-0.4 -7,-1.0 -0.853 15.9-159.1-101.6 120.2 16.0 -12.7 8.7 24 16 A V E -BC 14 35A 0 11,-2.7 11,-2.8 -2,-0.6 2,-0.5 -0.881 7.7-147.6-109.4 122.8 16.5 -10.5 5.7 25 17 A L E -BC 13 34A 10 -12,-2.9 -12,-1.8 -2,-0.5 2,-0.5 -0.783 14.8-170.8 -88.4 124.8 13.8 -8.3 4.3 26 18 A D E + C 0 33A 11 7,-2.6 7,-1.7 -2,-0.5 -14,-0.1 -0.963 17.6 168.7-122.2 110.6 13.9 -7.9 0.5 27 19 A E + 0 0 99 -2,-0.5 2,-1.8 5,-0.2 -1,-0.1 0.442 49.5 106.4 -93.9 -4.7 11.6 -5.2 -1.0 28 20 A S S S+ 0 0 75 -17,-0.4 2,-0.2 5,-0.1 -1,-0.1 -0.433 75.6 37.0 -88.9 66.1 13.3 -5.4 -4.4 29 21 A E S S- 0 0 108 -2,-1.8 4,-0.1 2,-0.3 -3,-0.0 -0.777 108.5 -77.3 172.4 163.3 10.6 -7.2 -6.4 30 22 A D S S+ 0 0 162 -2,-0.2 2,-0.1 2,-0.1 -2,-0.0 0.818 110.9 84.3 -40.8 -35.1 6.8 -7.2 -6.4 31 23 A S S S- 0 0 48 -3,-0.1 2,-0.6 1,-0.0 -2,-0.3 -0.327 70.7-147.0 -71.6 146.8 7.1 -9.3 -3.3 32 24 A D + 0 0 101 -4,-0.1 2,-0.4 -2,-0.1 -5,-0.2 -0.982 41.2 174.2-101.1 109.0 7.7 -8.3 0.3 33 25 A K E -C 26 0A 109 -7,-1.7 -7,-2.6 -2,-0.6 2,-0.5 -0.955 30.4-156.4-125.7 137.3 9.7 -11.3 1.3 34 26 A V E -C 25 0A 72 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.973 17.6-159.8-112.5 120.5 11.6 -12.2 4.5 35 27 A I E -C 24 0A 17 -11,-2.8 -11,-2.7 -2,-0.5 2,-0.5 -0.889 13.3-137.1-109.2 123.0 14.4 -14.8 3.9 36 28 A Q E -C 23 0A 75 -2,-0.5 30,-2.8 -13,-0.2 2,-0.3 -0.688 35.8-175.8 -77.2 119.2 15.8 -16.9 6.7 37 29 A C E -Cd 22 66A 0 -15,-2.6 -15,-2.4 -2,-0.5 2,-0.3 -0.893 28.6-140.5-123.6 150.3 19.6 -16.9 6.3 38 30 A R E - d 0 67A 81 28,-2.7 30,-2.4 -2,-0.3 -17,-0.1 -0.764 16.7-144.4 -94.1 154.2 22.8 -18.5 7.8 39 31 A G S S+ 0 0 0 -19,-0.4 3,-0.2 -2,-0.3 4,-0.1 0.394 82.6 69.2 -96.5 5.9 25.7 -16.1 8.1 40 32 A R + 0 0 105 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.712 59.6 90.2-111.5 -30.3 28.4 -18.7 7.3 41 33 A G S S- 0 0 56 1,-0.1 -1,-0.2 25,-0.1 28,-0.1 0.422 119.1 -19.0 -57.9 -0.6 28.3 -20.0 3.8 42 34 A I S S+ 0 0 75 -3,-0.2 2,-6.0 26,-0.2 27,-0.1 0.082 102.1 102.3-160.2 -61.0 30.8 -17.2 2.7 43 35 A F + 0 0 18 25,-0.9 2,-0.3 -4,-0.1 5,-0.1 0.189 68.3 117.8 -59.4 23.6 31.1 -14.2 4.9 44 36 A R + 0 0 94 -2,-6.0 2,-0.1 -4,-0.3 3,-0.0 -0.977 37.6 61.2-144.5 153.7 34.4 -15.3 6.5 45 37 A K S S+ 0 0 199 -2,-0.3 -1,-0.2 0, 0.0 2,-0.1 -0.023 100.4 94.3 -63.6 112.5 37.3 -14.9 7.2 46 38 A N - 0 0 79 -2,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.383 54.2-169.4-179.0 89.5 35.4 -11.9 8.6 47 39 A K + 0 0 175 2,-0.1 -3,-0.1 -2,-0.1 -4,-0.0 0.521 42.7 129.5 -74.0 -7.1 34.5 -12.4 12.3 48 40 A I - 0 0 63 -5,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.247 60.3-127.3 -48.0 123.8 32.2 -9.4 12.4 49 41 A T - 0 0 94 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.650 22.2-118.8 -74.9 131.2 28.8 -10.4 13.8 50 42 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.392 33.9-155.3 -65.4 148.7 25.9 -9.4 11.6 51 43 A L > - 0 0 24 -2,-0.0 3,-2.3 -29,-0.0 -37,-0.3 -0.928 26.6 -92.2-126.6 150.4 23.5 -7.0 13.3 52 44 A V B 3 S+f 83 0B 0 30,-0.6 32,-2.2 -2,-0.3 -37,-0.2 -0.413 116.9 34.7 -54.4 129.0 19.8 -6.1 13.0 53 45 A G T 3 S+ 0 0 1 -39,-3.4 -1,-0.3 1,-0.3 -38,-0.1 0.209 84.1 141.5 100.8 -13.2 19.7 -3.2 10.6 54 46 A D < - 0 0 0 -3,-2.3 -40,-2.5 -40,-0.1 2,-0.5 -0.334 50.3-134.5 -59.8 140.1 22.6 -4.4 8.4 55 47 A Y E -A 13 0A 83 17,-0.2 17,-2.7 -42,-0.2 2,-0.3 -0.874 39.7-179.6 -91.4 126.6 22.3 -3.9 4.7 56 48 A V E -AE 12 71A 1 -44,-2.9 -44,-2.1 -2,-0.5 2,-0.5 -0.898 37.2-136.6-131.1 155.5 23.4 -7.2 3.1 57 49 A V E +AE 11 70A 12 13,-2.5 12,-3.6 -2,-0.3 13,-1.6 -0.946 39.9 175.9-100.7 132.8 24.0 -9.1 -0.1 58 50 A Y E - E 0 68A 12 -48,-2.2 2,-0.4 -2,-0.5 10,-0.2 -0.918 25.7-142.9-135.2 163.2 22.5 -12.6 0.2 59 51 A Q E + E 0 67A 56 8,-2.2 8,-2.6 -2,-0.3 2,-0.3 -0.987 23.0 171.6-125.1 138.5 22.0 -15.7 -1.9 60 52 A A - 0 0 13 -2,-0.4 2,-0.2 -54,-0.4 -52,-0.2 -0.981 13.9-158.0-151.1 137.7 19.0 -18.0 -1.6 61 53 A E > - 0 0 85 4,-0.4 3,-1.4 -2,-0.3 -2,-0.0 -0.670 45.0 -66.7-111.4 165.5 17.6 -20.9 -3.5 62 54 A N T 3 S- 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.231 114.8 -8.0 -56.9 131.2 14.1 -22.4 -3.8 63 55 A D T 3 S+ 0 0 159 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.828 114.6 104.6 49.6 41.7 12.8 -23.9 -0.6 64 56 A K S < S- 0 0 132 -3,-1.4 -1,-0.2 -28,-0.0 -28,-0.1 -0.969 77.6 -96.8-143.9 154.8 16.2 -23.6 1.1 65 57 A E - 0 0 70 -2,-0.3 -4,-0.4 1,-0.1 -28,-0.2 -0.406 43.2-122.9 -67.0 149.3 17.7 -21.3 3.7 66 58 A G E -d 37 0A 0 -30,-2.8 -28,-2.7 -6,-0.2 2,-0.4 -0.302 13.8-135.8 -83.9 178.2 19.7 -18.3 2.4 67 59 A Y E -dE 38 59A 68 -8,-2.6 -8,-2.2 -30,-0.3 2,-0.3 -0.998 16.1-123.4-139.3 129.2 23.3 -17.2 3.1 68 60 A L E + E 0 58A 0 -30,-2.4 -25,-0.9 -2,-0.4 -10,-0.3 -0.568 28.9 178.2 -68.5 132.2 24.6 -13.8 3.9 69 61 A M E + 0 0 20 -12,-3.6 2,-0.3 1,-0.4 -11,-0.2 0.787 61.5 1.5-103.4 -40.7 27.3 -12.9 1.3 70 62 A E E - E 0 57A 94 -13,-1.6 -13,-2.5 -28,-0.0 2,-0.5 -0.986 55.0-146.2-152.4 139.0 28.4 -9.4 2.2 71 63 A I E - E 0 56A 20 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.970 28.7-130.7-106.7 126.4 27.6 -6.8 4.9 72 64 A K - 0 0 73 -17,-2.7 -17,-0.2 -2,-0.5 2,-0.0 -0.292 38.9 -78.5 -70.8 158.3 27.8 -3.2 3.7 73 65 A E - 0 0 186 1,-0.1 2,-0.3 -19,-0.1 -1,-0.1 -0.335 53.3-120.0 -59.5 133.9 29.7 -0.6 5.6 74 66 A R - 0 0 51 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.607 13.5-156.3 -83.0 136.7 27.6 0.6 8.6 75 67 A T S S- 0 0 89 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.801 78.6 -16.6 -77.3 -31.7 26.6 4.3 8.9 76 68 A N - 0 0 17 2,-0.0 9,-1.8 41,-0.0 2,-0.3 -0.950 59.4-149.6-162.0 172.4 26.2 3.9 12.7 77 69 A E E -G 84 0B 85 -2,-0.3 2,-0.3 7,-0.2 7,-0.3 -0.916 4.5-154.9-156.9 123.4 25.8 1.3 15.4 78 70 A L E > -G 83 0B 7 5,-3.2 5,-0.8 -2,-0.3 -2,-0.0 -0.733 7.7-151.7 -97.3 152.2 24.1 1.3 18.8 79 71 A I T 5S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.3 5,-0.0 0.891 76.5 57.8 -93.0 -45.7 25.2 -1.0 21.5 80 72 A R T 5S+ 0 0 186 1,-0.3 135,-0.7 137,-0.1 136,-0.6 -0.971 119.3 20.9-132.8 117.7 21.9 -1.5 23.5 81 73 A P T 5S- 0 0 13 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 0.724 105.5-124.8 -64.9 160.9 19.9 -2.6 21.8 82 74 A P T 5 + 0 0 46 0, 0.0 -30,-0.6 0, 0.0 2,-0.3 -0.618 59.3 132.3 -76.9 95.8 22.4 -3.9 19.3 83 75 A I E < -fG 52 78B 0 -2,-1.3 -5,-3.2 -5,-0.8 2,-0.3 -0.961 33.6-162.4-141.0 157.1 21.2 -2.3 16.0 84 76 A C E + G 0 77B 0 -32,-2.2 -7,-0.2 -2,-0.3 -10,-0.0 -0.872 60.6 40.9-136.6 171.4 22.9 -0.5 13.2 85 77 A N + 0 0 6 -9,-1.8 2,-0.5 -2,-0.3 -1,-0.2 0.920 67.9 169.6 56.0 51.1 22.0 1.9 10.2 86 78 A V - 0 0 1 1,-0.1 -1,-0.2 -3,-0.1 89,-0.2 -0.806 19.0-175.8 -95.2 128.2 19.5 3.9 12.2 87 79 A D + 0 0 50 87,-2.3 31,-2.2 -2,-0.5 2,-0.3 0.848 63.1 15.7 -88.4 -38.9 18.3 7.1 10.5 88 80 A Q E -hi 118 175C 6 86,-1.7 88,-2.0 29,-0.2 2,-0.4 -0.943 52.1-153.1-141.9 151.2 16.1 8.6 13.1 89 81 A A E -hi 119 176C 0 29,-2.1 31,-2.4 -2,-0.3 2,-0.8 -0.992 13.3-149.2-127.5 123.5 15.2 8.5 16.8 90 82 A V E -hi 120 177C 0 86,-2.6 88,-2.5 -2,-0.4 2,-0.6 -0.848 16.9-157.2 -89.3 113.0 11.7 9.6 18.0 91 83 A L E -hi 121 178C 0 29,-3.1 31,-2.9 -2,-0.8 2,-0.5 -0.867 8.6-161.3 -97.2 115.9 12.3 11.0 21.5 92 84 A V E +hi 122 179C 0 86,-2.7 88,-2.1 -2,-0.6 2,-0.3 -0.877 16.7 163.5-109.3 125.8 9.1 10.9 23.6 93 85 A F E -h 123 0C 0 29,-2.6 31,-2.8 -2,-0.5 2,-0.3 -0.893 33.0-117.3-131.6 161.4 8.6 13.0 26.7 94 86 A S E -h 124 0C 0 -2,-0.3 31,-0.2 29,-0.2 7,-0.1 -0.798 6.1-146.3-100.4 145.8 5.5 13.9 28.7 95 87 A A S >S- 0 0 2 29,-2.8 5,-1.9 -2,-0.3 2,-0.3 0.884 89.3 -1.3 -71.4 -39.4 4.3 17.5 29.2 96 88 A V T 5S+ 0 0 27 28,-0.3 3,-0.2 3,-0.3 -1,-0.2 -0.890 100.3 76.1-141.4 165.7 3.1 16.6 32.7 97 89 A Q T 5S+ 0 0 127 -2,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.939 127.3 20.5 59.3 53.4 3.1 13.4 34.8 98 90 A P T 5S- 0 0 81 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 0.503 116.2-110.6 -93.7 171.2 6.0 14.0 35.1 99 91 A S T 5 - 0 0 98 -3,-0.2 -3,-0.3 1,-0.1 -4,-0.1 -0.293 43.6 -97.4 -58.0 136.7 6.6 17.7 34.4 100 92 A F < - 0 0 24 -5,-1.9 2,-0.5 -7,-0.1 -1,-0.1 -0.287 37.4-158.8 -60.6 140.1 8.6 18.2 31.2 101 93 A S > - 0 0 48 -7,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.974 18.3-165.4-126.5 113.4 12.4 18.7 31.6 102 94 A T H > S+ 0 0 14 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.821 94.5 62.8 -65.8 -29.4 14.5 20.4 29.0 103 95 A A H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 106.0 43.3 -58.1 -42.4 17.5 19.0 30.9 104 96 A L H > S+ 0 0 56 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.932 114.3 49.9 -70.5 -43.7 16.3 15.4 30.1 105 97 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.936 109.9 51.1 -57.9 -49.1 15.5 16.3 26.5 106 98 A D H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.856 107.1 53.7 -60.8 -36.3 18.9 17.9 26.0 107 99 A R H X S+ 0 0 51 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.913 111.9 44.3 -62.6 -46.6 20.7 14.8 27.3 108 100 A F H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.917 110.8 55.0 -63.9 -42.5 18.9 12.5 24.9 109 101 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.910 106.9 50.8 -55.7 -44.1 19.5 14.9 22.1 110 102 A V H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.941 111.9 47.2 -60.4 -47.3 23.2 14.9 22.7 111 103 A L H < S+ 0 0 11 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.887 114.4 45.4 -62.5 -41.3 23.3 11.0 22.7 112 104 A V H ><>S+ 0 0 0 -4,-2.5 5,-1.7 2,-0.2 3,-1.2 0.953 115.5 46.9 -65.8 -51.4 21.2 10.7 19.5 113 105 A E H ><5S+ 0 0 45 -4,-2.8 3,-1.7 -5,-0.3 -2,-0.2 0.901 108.2 55.8 -56.9 -42.7 23.3 13.4 17.8 114 106 A A T 3<5S+ 0 0 45 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.586 104.0 56.2 -70.1 -9.4 26.6 11.8 18.9 115 107 A N T < 5S- 0 0 52 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.189 119.3-107.3-106.6 13.4 25.5 8.6 17.3 116 108 A D T < 5S+ 0 0 132 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.870 77.7 132.7 68.0 37.1 25.0 10.1 13.8 117 109 A I < - 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0 0 11 -3,-2.5 2,-0.2 3,-0.0 -3,-0.1 -0.843 60.0-156.1 -99.5 122.2 32.0 11.9 23.7 224 234 A E >> - 0 0 66 -2,-0.6 3,-1.3 1,-0.1 4,-1.2 -0.543 30.5-105.4 -93.4 162.6 35.1 14.1 24.1 225 235 A E H 3> S+ 0 0 64 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.843 119.7 49.1 -56.7 -40.9 35.0 17.8 25.2 226 236 A E H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.688 110.4 53.0 -75.4 -17.2 35.7 19.2 21.7 227 237 A E H X4 S+ 0 0 94 -3,-1.3 3,-0.9 1,-0.1 4,-0.5 0.703 89.6 77.6 -87.5 -24.4 33.0 17.0 20.2 228 238 A L H >< S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.3 4,-0.3 0.892 85.7 58.1 -59.6 -43.2 30.2 18.0 22.5 229 239 A G G >< S+ 0 0 8 -4,-0.5 3,-1.4 1,-0.3 7,-0.5 0.792 95.4 65.7 -60.5 -28.4 29.4 21.4 20.9 230 240 A Y G < S+ 0 0 157 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.731 93.8 60.6 -64.7 -20.0 28.7 19.7 17.5 231 241 A T G < S+ 0 0 9 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.517 93.3 68.7 -88.0 -7.1 25.7 18.0 19.1 232 242 A F S <> S- 0 0 0 -3,-1.4 4,-3.4 -4,-0.3 5,-0.3 -0.913 71.6-164.3-105.9 97.0 24.0 21.3 19.9 233 243 A P H > S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.847 88.4 51.5 -55.3 -34.6 23.2 22.7 16.4 234 244 A D H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.953 114.9 40.0 -65.9 -50.2 22.6 26.2 17.8 235 245 A I H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 113.8 56.7 -62.8 -45.1 26.0 26.2 19.7 236 246 A R H < S+ 0 0 81 -4,-3.4 4,-0.4 -7,-0.5 -2,-0.2 0.911 109.1 44.6 -52.8 -48.4 27.6 24.6 16.7 237 247 A E H >< S+ 0 0 119 -4,-2.1 3,-0.9 -5,-0.3 -1,-0.2 0.881 113.6 49.3 -69.2 -37.1 26.5 27.3 14.3 238 248 A K H >< S+ 0 0 51 -4,-1.9 3,-1.9 1,-0.2 4,-0.2 0.798 94.0 76.2 -72.4 -23.8 27.4 30.1 16.6 239 249 A S G >< S+ 0 0 39 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.675 76.4 77.3 -63.5 -16.9 30.9 28.7 17.2 240 250 A S G < S+ 0 0 101 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.1 0.806 94.9 48.9 -59.6 -28.8 32.0 29.9 13.8 241 251 A S G < S+ 0 0 86 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.460 79.7 119.6 -94.8 -4.3 32.3 33.4 15.2 242 252 A C < - 0 0 16 -3,-1.0 13,-0.2 -4,-0.2 12,-0.1 -0.386 64.1-134.5 -63.1 138.5 34.4 32.6 18.3 243 253 A K S S+ 0 0 129 11,-2.3 2,-0.3 10,-0.2 -1,-0.1 0.960 87.9 56.2 -60.0 -53.8 37.7 34.4 18.3 244 254 A F S > S- 0 0 107 9,-0.4 3,-1.1 10,-0.1 2,-0.2 -0.604 90.2-118.7 -85.9 138.5 39.8 31.4 19.4 245 255 A R T 3 S+ 0 0 246 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.506 100.0 22.3 -74.9 144.3 39.7 28.2 17.3 246 256 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.0 0.716 85.8 179.0 67.8 22.4 38.5 25.1 19.2 247 257 A C < - 0 0 13 -3,-1.1 -1,-0.2 -8,-0.2 -5,-0.1 -0.343 21.7-160.7 -54.8 130.7 36.7 27.5 21.6 248 258 A L - 0 0 23 -3,-0.1 -1,-0.2 -20,-0.0 30,-0.1 0.399 34.1-124.7 -93.5 -2.7 34.9 25.3 24.2 249 259 A H S S+ 0 0 8 4,-0.1 -2,-0.1 -10,-0.1 26,-0.1 0.841 81.1 103.3 64.5 37.8 32.7 28.3 25.1 250 260 A L S S- 0 0 35 3,-0.1 5,-0.1 28,-0.0 -1,-0.1 0.657 97.2 -15.6-110.2 -88.9 33.6 28.1 28.8 251 261 A K S S+ 0 0 194 2,-0.1 4,-0.0 0, 0.0 0, 0.0 0.356 97.3 122.8-104.4 4.6 36.1 30.7 30.1 252 262 A E - 0 0 44 1,-0.1 3,-0.5 2,-0.0 2,-0.1 -0.384 60.7-124.1 -66.2 140.7 37.5 31.9 26.7 253 263 A P S S+ 0 0 81 0, 0.0 -9,-0.4 0, 0.0 -10,-0.2 -0.498 89.0 24.5 -80.9 158.6 37.2 35.6 25.9 254 264 A K S S+ 0 0 154 1,-0.2 -11,-2.3 -2,-0.1 2,-0.5 0.855 80.4 166.0 54.7 40.4 35.4 36.8 22.8 255 265 A C > - 0 0 8 -3,-0.5 4,-1.6 -13,-0.2 -1,-0.2 -0.765 30.9-155.6 -85.6 125.9 33.3 33.7 22.6 256 266 A A H > S+ 0 0 17 -2,-0.5 4,-1.6 2,-0.2 -1,-0.1 0.695 91.7 58.0 -73.7 -23.6 30.4 34.1 20.2 257 267 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 108.3 44.5 -72.6 -49.4 28.3 31.4 22.0 258 268 A K H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.910 113.4 51.5 -60.6 -41.0 28.4 33.2 25.3 259 269 A Q H X S+ 0 0 91 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.875 107.6 53.1 -63.2 -37.9 27.6 36.5 23.6 260 270 A A H X>S+ 0 0 2 -4,-1.6 5,-2.0 2,-0.2 6,-1.4 0.861 107.8 50.7 -66.4 -36.9 24.6 34.9 21.8 261 271 A V H ><5S+ 0 0 16 -4,-1.9 3,-0.8 4,-0.2 -2,-0.2 0.921 109.1 51.3 -64.9 -43.3 23.3 33.7 25.2 262 272 A E H 3<5S+ 0 0 141 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.842 113.1 45.8 -59.1 -37.0 23.7 37.2 26.6 263 273 A D H 3<5S- 0 0 105 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.530 114.6-113.7 -82.7 -13.9 21.7 38.6 23.6 264 274 A G T <<5S+ 0 0 55 -4,-0.8 -3,-0.2 -3,-0.8 -4,-0.1 0.534 85.9 119.0 87.1 6.8 18.9 35.9 23.8 265 275 A E S - 0 0 84 -2,-0.4 4,-1.9 1,-0.1 3,-0.5 -0.431 20.4-134.0 -64.5 133.2 18.5 29.9 24.9 268 278 A Q H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 104.9 53.2 -50.7 -46.4 20.0 30.2 28.4 269 279 A Y H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.840 104.5 55.6 -65.4 -31.7 18.9 26.6 29.4 270 280 A R H > S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.950 112.0 42.8 -64.0 -48.6 20.6 25.2 26.3 271 281 A Y H X S+ 0 0 32 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.915 111.6 55.0 -63.1 -41.4 23.9 26.8 27.3 272 282 A D H X S+ 0 0 71 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.899 110.8 45.3 -59.4 -41.9 23.4 25.8 30.9 273 283 A H H X S+ 0 0 18 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.926 109.2 55.5 -69.5 -43.9 23.0 22.2 29.9 274 284 A Y H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.952 110.8 45.6 -47.1 -52.3 26.0 22.3 27.6 275 285 A V H X S+ 0 0 44 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.905 112.2 51.1 -64.2 -41.7 28.2 23.5 30.5 276 286 A E H X S+ 0 0 109 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.897 112.3 46.3 -59.2 -40.9 26.7 20.9 32.8 277 287 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.866 109.3 55.1 -73.8 -35.9 27.5 18.1 30.3 278 288 A M H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.908 107.1 50.3 -58.3 -46.1 31.0 19.5 29.7 279 289 A T H X S+ 0 0 68 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.909 109.5 51.1 -59.5 -43.1 31.7 19.3 33.4 280 290 A E H < S+ 0 0 61 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.886 111.7 47.3 -63.2 -41.6 30.4 15.6 33.4 281 291 A I H >< S+ 0 0 2 -4,-2.4 3,-1.2 1,-0.2 4,-0.2 0.934 113.8 47.3 -62.7 -47.2 32.8 14.8 30.5 282 292 A K H >< S+ 0 0 82 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.847 102.3 64.0 -65.1 -33.5 35.7 16.6 32.2 283 293 A D T 3< S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.569 83.4 78.8 -72.1 -8.7 35.0 14.8 35.5 284 294 A R T < S+ 0 0 98 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.746 100.8 37.3 -59.6 -27.3 35.8 11.4 33.8 285 295 A K S < S- 0 0 106 -3,-1.6 2,-0.0 -4,-0.2 0, 0.0 -0.821 95.8 -86.8-131.9 158.2 39.5 12.2 34.1 286 296 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.367 43.2-134.1 -61.5 148.3 42.0 13.8 36.5 287 297 A R 0 0 212 -4,-0.1 -4,-0.0 -2,-0.0 -5,-0.0 -0.886 360.0 360.0-112.1 139.5 42.4 17.6 36.0 288 298 A Y 0 0 273 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.901 360.0 360.0-137.7 360.0 45.8 19.4 35.8