==== 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 TRANSFERASE 22-MAR-99 1RKA . COMPND 2 MOLECULE: PROTEIN (RIBOKINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.A.SIGRELL,A.D.CAMERON,S.L.MOWBRAY . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 33 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 1 0 1 1 0 1 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 3 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 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 0 1 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 4 A A 0 0 93 0, 0.0 263,-0.2 0, 0.0 262,-0.1 0.000 360.0 360.0 360.0 118.7 0.4 68.5 13.5 2 5 A G - 0 0 24 261,-1.2 52,-0.6 1,-0.1 2,-0.2 -0.151 360.0 -87.6 -65.3 166.7 2.1 67.4 16.7 3 6 A S E -a 54 0A 34 128,-0.3 130,-3.0 50,-0.1 131,-1.5 -0.548 37.9-148.4 -82.8 143.2 5.7 66.1 16.5 4 7 A L E -ab 55 134A 1 50,-3.2 52,-2.5 -2,-0.2 2,-0.5 -0.892 6.0-161.8-112.3 139.4 6.4 62.4 15.8 5 8 A V E -ab 56 135A 4 129,-2.4 131,-2.6 -2,-0.4 2,-0.4 -0.970 6.4-165.9-122.8 116.3 9.3 60.4 17.1 6 9 A V E -ab 57 136A 0 50,-2.3 52,-2.9 -2,-0.5 2,-0.5 -0.860 3.0-172.0-101.4 133.2 10.2 57.2 15.4 7 10 A L E +ab 58 137A 0 129,-2.2 131,-0.7 -2,-0.4 2,-0.3 -0.986 37.1 89.6-127.0 117.8 12.5 54.7 17.1 8 11 A G - 0 0 0 50,-1.8 52,-0.3 -2,-0.5 -2,-0.0 -0.989 63.1 -38.5 179.4-172.0 13.7 51.8 15.1 9 12 A S - 0 0 1 -2,-0.3 33,-2.3 50,-0.1 2,-0.4 -0.198 29.1-153.5 -76.9 159.9 16.1 50.0 12.7 10 13 A I + 0 0 0 50,-0.3 83,-0.6 101,-0.2 2,-0.3 -0.995 20.3 176.6-133.5 123.5 18.0 51.1 9.6 11 14 A N E -Jk 38 93B 6 27,-2.0 27,-3.2 -2,-0.4 2,-0.6 -0.902 30.9-137.0-127.8 157.2 19.0 48.6 6.9 12 15 A A E -Jk 37 94B 2 81,-1.2 83,-2.2 -2,-0.3 2,-0.5 -0.973 31.7-145.5-109.9 113.6 20.8 48.7 3.6 13 16 A D E -Jk 36 95B 5 23,-2.9 23,-2.5 -2,-0.6 2,-0.7 -0.766 13.3-166.7 -89.9 123.4 18.7 46.3 1.4 14 17 A H E -Jk 35 96B 53 81,-3.1 83,-3.2 -2,-0.5 2,-0.5 -0.932 14.8-170.4-107.8 111.3 20.5 44.3 -1.2 15 18 A I E -Jk 34 97B 10 19,-2.9 19,-2.2 -2,-0.7 2,-0.5 -0.916 10.1-177.2-114.9 125.4 18.0 42.8 -3.6 16 19 A L E -Jk 33 98B 46 81,-3.0 83,-1.9 -2,-0.5 2,-0.4 -0.968 13.6-153.0-123.5 121.2 18.6 40.2 -6.2 17 20 A N E +Jk 32 99B 40 15,-2.7 14,-2.4 -2,-0.5 15,-1.1 -0.753 29.3 165.4 -88.6 135.7 16.0 38.9 -8.7 18 21 A L - 0 0 1 81,-2.8 12,-0.2 -2,-0.4 3,-0.1 -0.948 48.2-108.0-147.3 165.6 16.8 35.4 -9.9 19 22 A Q S S- 0 0 165 10,-0.4 82,-2.7 -2,-0.3 2,-0.3 0.975 96.0 -9.8 -59.8 -59.4 15.2 32.5 -11.6 20 23 A S S S- 0 0 49 80,-0.2 -1,-0.2 81,-0.1 3,-0.1 -0.992 80.6 -89.3-144.5 151.4 14.9 30.2 -8.6 21 24 A F - 0 0 57 -2,-0.3 84,-0.0 -3,-0.1 79,-0.0 -0.372 54.6-109.8 -58.2 122.8 16.2 30.1 -4.9 22 25 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.273 30.0-130.5 -57.3 138.8 19.5 28.4 -4.9 23 26 A T > - 0 0 86 1,-0.2 3,-2.9 -3,-0.1 -3,-0.0 -0.465 49.9 -61.4 -83.8 163.9 19.4 24.9 -3.3 24 27 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.178 128.5 10.7 -48.7 127.0 22.0 24.1 -0.6 25 28 A G T 3 S+ 0 0 93 1,-0.3 2,-0.2 -3,-0.1 -2,-0.0 0.409 104.4 123.4 84.6 -2.7 25.5 24.2 -2.2 26 29 A E < - 0 0 87 -3,-2.9 2,-0.4 2,-0.0 -1,-0.3 -0.590 48.0-152.8 -96.3 155.5 24.2 25.9 -5.3 27 30 A T - 0 0 130 -2,-0.2 2,-0.4 -3,-0.1 -4,-0.1 -0.986 14.8-174.3-123.3 133.2 25.2 29.1 -7.0 28 31 A V - 0 0 38 -2,-0.4 2,-0.5 -6,-0.1 -7,-0.0 -0.973 20.6-133.2-130.8 145.9 22.8 31.0 -9.2 29 32 A T - 0 0 135 -2,-0.4 -10,-0.4 1,-0.0 -2,-0.0 -0.859 26.1-143.3 -99.6 126.0 23.2 34.1 -11.4 30 33 A G - 0 0 25 -2,-0.5 -12,-0.3 -12,-0.2 3,-0.1 -0.176 9.5-142.8 -80.9 176.9 20.5 36.8 -11.0 31 34 A N S S+ 0 0 120 -14,-2.4 2,-0.3 1,-0.3 -13,-0.2 0.548 80.1 26.8-116.6 -15.9 19.0 39.1 -13.6 32 35 A H E -J 17 0B 93 -15,-1.1 -15,-2.7 2,-0.0 2,-0.4 -0.985 59.9-165.5-153.2 139.7 18.5 42.3 -11.7 33 36 A Y E +J 16 0B 134 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.982 8.8 174.1-130.0 138.5 20.2 44.0 -8.7 34 37 A Q E -J 15 0B 46 -19,-2.2 -19,-2.9 -2,-0.4 2,-0.6 -0.985 18.2-157.8-146.8 131.0 19.1 46.9 -6.5 35 38 A V E +J 14 0B 68 -2,-0.3 2,-0.4 -21,-0.2 -21,-0.2 -0.948 28.2 165.6-106.9 120.2 20.5 48.5 -3.4 36 39 A A E -J 13 0B 4 -23,-2.5 -23,-2.9 -2,-0.6 2,-0.2 -0.997 40.9-107.1-138.2 142.6 17.8 50.4 -1.5 37 40 A F E +J 12 0B 36 -2,-0.4 252,-1.9 -25,-0.2 -25,-0.2 -0.473 54.5 150.9 -68.5 131.3 17.6 51.8 2.0 38 41 A G E +J 11 0B 0 -27,-3.2 -27,-2.0 -2,-0.2 4,-0.3 -0.448 14.7 129.6-137.3-148.4 15.3 49.7 4.2 39 42 A G > - 0 0 4 -29,-0.3 4,-3.5 -2,-0.2 5,-0.3 0.382 62.6-106.2 93.2 128.1 14.7 48.6 7.8 40 43 A K H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.873 118.7 53.3 -54.3 -42.6 11.3 48.9 9.4 41 44 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.963 116.8 36.5 -58.2 -53.4 12.4 51.9 11.5 42 45 A A H > S+ 0 0 0 -33,-2.3 4,-3.0 -4,-0.3 5,-0.3 0.893 113.9 56.2 -68.5 -41.5 13.6 53.9 8.6 43 46 A N H X S+ 0 0 6 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.932 114.0 41.3 -56.4 -44.9 10.9 52.7 6.2 44 47 A Q H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.885 113.3 52.8 -70.7 -36.7 8.3 54.0 8.6 45 48 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.887 114.4 43.5 -64.1 -39.6 10.3 57.2 9.4 46 49 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.896 110.1 54.4 -72.8 -41.7 10.5 57.9 5.7 47 50 A A H X S+ 0 0 2 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.884 114.9 42.4 -59.9 -36.4 6.9 57.0 5.0 48 51 A A H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 4,-0.4 0.930 115.0 47.9 -75.9 -47.3 5.9 59.5 7.7 49 52 A G H ><5S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.946 115.2 44.8 -58.7 -50.7 8.4 62.3 6.7 50 53 A R H 3<5S+ 0 0 25 -4,-3.0 245,-2.5 1,-0.3 -1,-0.2 0.874 107.9 58.1 -62.8 -37.6 7.4 62.1 3.1 51 54 A S T 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.535 129.7 -93.5 -72.4 -3.1 3.7 62.0 3.9 52 55 A G T < 5S+ 0 0 38 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.566 72.6 145.7 108.9 9.5 4.2 65.3 5.7 53 56 A A < - 0 0 7 -5,-2.6 2,-1.1 1,-0.1 -1,-0.2 -0.322 54.1-122.7 -80.2 162.9 4.9 64.7 9.4 54 57 A N E +a 3 0A 103 -52,-0.6 -50,-3.2 206,-0.1 2,-0.4 -0.830 55.4 167.4-100.8 87.6 7.1 66.6 11.7 55 58 A I E -a 4 0A 6 -2,-1.1 25,-2.4 23,-0.5 2,-0.4 -0.900 32.2-166.2-120.8 140.4 9.3 63.6 12.6 56 59 A A E -ac 5 80A 9 -52,-2.5 -50,-2.3 -2,-0.4 2,-0.5 -0.895 21.4-139.8-113.8 145.7 12.6 63.0 14.4 57 60 A F E -a 6 0A 0 23,-2.4 2,-0.7 -2,-0.4 -50,-0.2 -0.916 10.1-162.5-120.6 115.6 14.3 59.6 14.2 58 61 A I E +a 7 0A 6 -52,-2.9 -50,-1.8 -2,-0.5 2,-0.3 -0.828 43.0 120.4 -91.6 117.3 16.1 57.7 16.9 59 62 A A E -m 84 0C 1 24,-1.1 26,-2.7 -2,-0.7 2,-0.4 -0.962 51.1-119.0-163.3 176.1 18.3 55.0 15.4 60 63 A C E +m 85 0C 0 -52,-0.3 33,-0.3 -2,-0.3 -50,-0.3 -0.995 19.6 178.7-134.1 133.1 21.8 53.7 15.0 61 64 A T E -m 86 0C 0 24,-2.3 26,-2.4 -2,-0.4 31,-0.1 -0.743 32.0-111.0-118.6 171.1 24.0 53.2 11.9 62 65 A G E -m 87 0C 0 -2,-0.3 29,-0.2 24,-0.2 26,-0.2 -0.228 33.0 -99.0 -91.2-171.8 27.6 51.8 11.9 63 66 A D S S+ 0 0 83 27,-1.7 2,-0.1 24,-0.6 28,-0.1 -0.045 86.1 109.9 -99.6 32.2 30.7 53.8 11.1 64 67 A D S > S- 0 0 49 26,-0.2 4,-1.4 1,-0.1 -2,-0.0 -0.468 83.5-102.1-100.0 173.7 30.9 52.4 7.5 65 68 A S H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.911 120.1 54.4 -61.8 -44.7 30.3 54.2 4.1 66 69 A I H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.918 104.7 55.8 -57.8 -42.2 26.9 52.7 3.7 67 70 A G H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.892 107.8 48.3 -57.1 -40.9 25.9 54.1 7.1 68 71 A E H X S+ 0 0 108 -4,-1.4 4,-2.4 -3,-0.2 -1,-0.2 0.904 110.6 51.4 -67.4 -40.2 26.9 57.6 6.0 69 72 A S H X S+ 0 0 60 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.928 109.9 46.9 -62.9 -49.0 25.0 57.4 2.7 70 73 A V H X S+ 0 0 3 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.907 112.9 51.2 -60.4 -39.9 21.7 56.3 4.3 71 74 A R H X S+ 0 0 57 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.924 109.1 50.2 -62.3 -44.6 22.1 59.1 6.8 72 75 A Q H X S+ 0 0 115 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.908 114.8 46.5 -58.6 -42.6 22.7 61.5 3.9 73 76 A Q H >X S+ 0 0 62 -4,-2.6 3,-1.8 1,-0.2 4,-0.5 0.941 106.7 53.1 -66.9 -52.4 19.6 60.2 2.3 74 77 A L H ><>S+ 0 0 0 -4,-3.3 3,-1.1 1,-0.3 5,-0.6 0.812 100.6 64.2 -56.4 -30.8 17.2 60.2 5.3 75 78 A A H 3<5S+ 0 0 49 -4,-1.5 3,-0.5 1,-0.3 4,-0.3 0.788 103.6 47.0 -64.7 -26.4 18.1 63.9 5.9 76 79 A T H <<5S+ 0 0 90 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.501 94.6 76.8 -93.0 -4.6 16.5 64.7 2.5 77 80 A D T <<5S- 0 0 0 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.085 120.0 -97.2 -91.3 23.0 13.4 62.6 3.3 78 81 A N T 5S+ 0 0 84 -3,-0.5 -23,-0.5 1,-0.2 2,-0.4 0.931 84.0 132.1 61.7 49.2 12.1 65.4 5.6 79 82 A I < - 0 0 12 -5,-0.6 2,-0.9 -4,-0.3 -1,-0.2 -0.988 61.3-127.4-131.4 139.2 13.3 63.7 8.7 80 83 A D B -c 56 0A 64 -25,-2.4 -23,-2.4 -2,-0.4 -5,-0.1 -0.791 26.5-177.3 -86.4 106.3 15.3 65.2 11.6 81 84 A I > + 0 0 44 -2,-0.9 3,-1.7 1,-0.2 -1,-0.1 0.172 51.0 109.7 -91.1 16.3 18.3 62.8 11.8 82 85 A T T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -24,-0.0 -24,-0.1 0.871 77.7 52.4 -58.9 -36.5 19.8 64.5 14.8 83 86 A P T 3 S+ 0 0 2 0, 0.0 -24,-1.1 0, 0.0 2,-0.8 0.350 82.3 107.4 -82.5 6.0 18.8 61.5 17.0 84 87 A V E < -m 59 0C 14 -3,-1.7 -24,-0.2 -26,-0.2 2,-0.1 -0.779 59.6-155.2 -89.0 110.6 20.5 59.0 14.7 85 88 A S E -m 60 0C 42 -26,-2.7 -24,-2.3 -2,-0.8 2,-0.5 -0.468 9.1-137.5 -85.2 155.4 23.7 57.8 16.4 86 89 A V E -m 61 0C 66 -26,-0.2 2,-0.7 -2,-0.1 -24,-0.2 -0.960 16.4-148.0-112.1 124.2 26.8 56.4 14.8 87 90 A I E > -m 62 0C 41 -26,-2.4 3,-1.4 -2,-0.5 -24,-0.6 -0.843 13.1-134.0-100.3 115.5 28.3 53.3 16.5 88 91 A K T 3 S+ 0 0 196 -2,-0.7 3,-0.1 1,-0.2 -24,-0.0 -0.380 87.5 15.7 -66.0 140.0 32.1 53.0 16.3 89 92 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.549 106.2 105.2 75.6 7.7 33.4 49.6 15.4 90 93 A E < - 0 0 70 -3,-1.4 -27,-1.7 -29,-0.1 2,-0.2 -0.887 66.0-121.8-124.0 154.6 30.0 48.3 14.1 91 94 A S - 0 0 59 -2,-0.3 22,-2.9 -29,-0.2 23,-0.2 -0.619 31.9-108.1 -89.7 149.5 28.4 47.6 10.7 92 95 A T - 0 0 1 -2,-0.2 20,-0.1 20,-0.2 -31,-0.1 -0.501 51.2 -89.2 -72.6 144.6 25.2 49.3 9.5 93 96 A G E -k 11 0B 0 -83,-0.6 -81,-1.2 -33,-0.3 2,-0.3 -0.180 50.8-165.5 -54.7 148.0 22.3 46.9 9.5 94 97 A V E -kL 12 110B 31 16,-1.8 16,-2.9 -83,-0.3 2,-0.4 -0.967 18.4-159.1-140.2 154.6 21.8 44.9 6.3 95 98 A A E -kL 13 109B 3 -83,-2.2 -81,-3.1 -2,-0.3 2,-0.6 -0.987 8.1-158.1-134.6 120.8 19.2 42.8 4.5 96 99 A L E -kL 14 108B 105 12,-3.0 12,-2.6 -2,-0.4 2,-0.4 -0.901 21.0-170.7-100.7 122.4 20.1 40.3 1.8 97 100 A I E -kL 15 107B 8 -83,-3.2 -81,-3.0 -2,-0.6 2,-0.4 -0.956 16.7-168.3-126.3 132.2 17.0 39.6 -0.4 98 101 A F E -kL 16 106B 75 8,-2.0 8,-1.7 -2,-0.4 2,-0.4 -0.898 3.0-172.2-111.6 140.7 16.2 37.0 -3.1 99 102 A V E -kL 17 105B 27 -83,-1.9 -81,-2.8 -2,-0.4 6,-0.2 -0.981 15.2-151.2-133.0 117.4 13.2 37.2 -5.3 100 103 A N > - 0 0 11 4,-1.6 3,-1.9 -2,-0.4 -81,-0.2 -0.207 33.8 -94.4 -83.9 177.8 12.5 34.3 -7.6 101 104 A G T 3 S+ 0 0 69 -82,-2.7 -81,-0.1 1,-0.3 -82,-0.1 0.564 122.6 62.1 -68.4 -7.3 10.8 34.1 -11.0 102 105 A E T 3 S- 0 0 158 -83,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.373 118.0-109.0 -97.7 1.7 7.5 33.2 -9.2 103 106 A G S < S+ 0 0 56 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.370 77.1 128.9 88.1 -5.3 7.5 36.5 -7.3 104 107 A E - 0 0 106 -5,-0.0 -4,-1.6 1,-0.0 2,-0.3 -0.334 38.3-161.9 -78.2 164.0 8.3 35.0 -3.9 105 108 A N E -L 99 0B 73 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.969 15.2-159.1-146.4 159.9 11.1 36.3 -1.7 106 109 A V E -L 98 0B 68 -8,-1.7 -8,-2.0 -2,-0.3 2,-0.4 -0.985 15.3-153.9-137.3 142.3 13.3 35.3 1.2 107 110 A I E -L 97 0B 86 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.973 8.1-166.7-126.9 134.4 15.1 37.8 3.5 108 111 A G E -L 96 0B 40 -12,-2.6 -12,-3.0 -2,-0.4 2,-0.4 -0.979 18.1-158.0-118.0 126.6 18.3 37.4 5.6 109 112 A I E -L 95 0B 98 -2,-0.5 2,-0.5 -14,-0.2 -14,-0.2 -0.871 18.4-163.4-116.9 141.0 19.0 40.1 8.1 110 113 A H E -L 94 0B 87 -16,-2.9 -16,-1.8 -2,-0.4 4,-0.2 -0.975 11.9-156.4-114.0 115.7 22.1 41.3 10.0 111 114 A A > + 0 0 50 -2,-0.5 3,-1.8 -18,-0.2 -18,-0.2 0.897 35.9 154.6 -59.1 -44.1 21.2 43.4 13.0 112 115 A G G > S- 0 0 6 1,-0.3 3,-1.8 2,-0.2 4,-0.2 -0.163 70.9 -1.4 52.5-137.5 24.5 45.3 13.0 113 116 A A G > S+ 0 0 0 -22,-2.9 3,-2.1 1,-0.3 -1,-0.3 0.750 122.5 76.2 -55.7 -25.3 24.4 48.7 14.6 114 117 A N G X S+ 0 0 5 -3,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.814 86.2 59.8 -58.4 -31.1 20.7 48.3 15.2 115 118 A A G < S+ 0 0 65 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.579 95.8 66.2 -74.3 -6.5 21.3 46.0 18.2 116 119 A A G < + 0 0 33 -3,-2.1 2,-1.6 -4,-0.2 -1,-0.2 0.439 64.3 111.3 -93.5 -1.7 23.2 48.8 19.8 117 120 A L < - 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0 0 1 -131,-0.7 3,-0.2 -2,-0.3 8,-0.0 -0.500 39.7 -98.3-128.9-159.3 8.5 48.3 15.8 139 142 A L S S+ 0 0 19 26,-2.5 4,-0.1 24,-0.3 -131,-0.1 -0.034 92.2 93.6-122.3 32.4 10.3 45.2 17.0 140 143 A E S S+ 0 0 46 25,-0.1 -1,-0.1 2,-0.1 -132,-0.1 0.094 78.3 74.1-106.3 19.7 13.7 45.2 15.2 141 144 A S S S- 0 0 11 -3,-0.2 -26,-0.1 -134,-0.1 5,-0.1 -0.910 106.1 -72.8-126.7 154.4 15.3 47.1 18.1 142 145 A P >> - 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.201 41.3-132.8 -48.7 132.0 16.2 45.6 21.5 143 146 A L H 3> S+ 0 0 38 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.831 104.8 59.9 -58.5 -33.4 13.0 45.0 23.5 144 147 A E H 3> S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.817 106.3 47.3 -65.3 -31.0 14.5 46.7 26.5 145 148 A S H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.857 112.6 47.3 -78.2 -37.4 15.0 49.9 24.6 146 149 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.916 113.7 50.7 -66.2 -42.5 11.4 49.8 23.2 147 150 A M H X S+ 0 0 25 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.942 112.0 45.1 -58.2 -52.7 10.2 49.1 26.7 148 151 A A H X S+ 0 0 28 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.826 112.1 52.1 -63.8 -34.5 12.1 52.0 28.2 149 152 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.869 107.7 52.4 -70.8 -34.9 11.0 54.3 25.5 150 153 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.863 106.5 53.2 -68.5 -37.2 7.4 53.4 26.0 151 154 A K H X S+ 0 0 79 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.957 107.9 49.2 -63.1 -51.1 7.6 54.1 29.7 152 155 A I H X S+ 0 0 5 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.905 114.0 47.8 -53.9 -43.5 9.0 57.6 29.2 153 156 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 3,-1.0 0.929 109.0 51.8 -63.7 -46.6 6.2 58.2 26.7 154 157 A H H ><5S+ 0 0 112 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.855 109.7 52.4 -58.3 -35.2 3.5 56.9 29.0 155 158 A Q H 3<5S+ 0 0 116 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.671 114.0 41.5 -74.7 -20.8 4.9 59.3 31.7 156 159 A N T <<5S- 0 0 65 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 -0.037 113.9 -98.3-123.7 35.7 4.7 62.4 29.5 157 160 A K T < 5S+ 0 0 199 -3,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.897 71.8 149.3 53.0 43.0 1.4 62.2 27.5 158 161 A T < - 0 0 3 -5,-2.3 -24,-0.3 -8,-0.1 -1,-0.2 -0.945 49.1-124.4-109.5 119.3 3.2 60.8 24.4 159 162 A I E -d 134 0A 74 -26,-2.7 -24,-3.4 -2,-0.6 2,-0.6 -0.423 22.3-142.8 -62.8 133.3 1.0 58.6 22.4 160 163 A V E -d 135 0A 0 -26,-0.2 19,-2.5 17,-0.2 20,-2.2 -0.901 18.5-176.2-105.3 115.2 2.6 55.1 21.9 161 164 A A E -de 136 180A 4 -26,-3.4 -24,-2.6 -2,-0.6 2,-0.5 -0.944 5.8-169.6-112.2 126.5 2.1 53.5 18.5 162 165 A L E -de 137 181A 2 18,-3.4 20,-2.2 -2,-0.5 -24,-0.2 -0.962 21.3-165.0-126.1 123.9 3.5 50.0 18.0 163 166 A N - 0 0 9 -26,-3.0 2,-2.9 -2,-0.5 -24,-0.3 -0.874 24.2-148.9 -99.6 96.5 3.9 48.0 14.8 164 167 A P + 0 0 1 0, 0.0 4,-0.3 0, 0.0 20,-0.2 -0.273 37.3 171.8 -67.6 58.5 4.5 44.5 16.5 165 168 A A + 0 0 2 -2,-2.9 -26,-2.5 2,-0.1 2,-0.1 -0.980 47.7 36.4-131.3 141.9 6.7 43.2 13.7 166 169 A P S S- 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.528 107.3 -98.7 -71.9 157.6 8.4 40.9 13.2 167 170 A A + 0 0 42 -2,-0.1 2,-0.2 24,-0.0 -2,-0.1 -0.045 64.2 130.2 -48.0 136.9 6.0 38.6 15.1 168 171 A R - 0 0 110 -4,-0.3 2,-0.1 19,-0.2 22,-0.0 -0.866 56.8 -92.0 178.6 151.1 6.8 37.7 18.7 169 172 A E - 0 0 124 -2,-0.2 22,-0.1 23,-0.0 21,-0.1 -0.405 39.8-157.0 -73.0 151.3 5.1 37.5 22.1 170 173 A L - 0 0 18 21,-0.2 2,-0.0 20,-0.1 -1,-0.0 -0.962 20.6-104.0-131.6 148.5 5.4 40.6 24.3 171 174 A P >> - 0 0 58 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.358 28.1-121.7 -68.5 148.5 5.1 41.1 28.1 172 175 A D H 3> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.777 110.1 70.4 -61.3 -23.3 1.8 42.7 29.4 173 176 A E H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.880 105.0 37.7 -62.7 -36.4 4.0 45.4 30.8 174 177 A L H X4 S+ 0 0 1 -3,-1.1 3,-1.9 1,-0.2 4,-0.2 0.901 115.2 52.3 -79.8 -43.7 4.7 46.8 27.3 175 178 A L H >< S+ 0 0 2 -4,-1.8 3,-1.7 1,-0.3 -2,-0.2 0.857 101.4 62.2 -59.5 -35.5 1.2 46.1 25.9 176 179 A A T 3< S+ 0 0 56 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.379 104.0 51.3 -72.1 5.9 -0.2 48.0 28.9 177 180 A L T < S+ 0 0 20 -3,-1.9 2,-0.4 -5,-0.1 -1,-0.3 0.353 88.6 103.2-120.2 -0.3 1.7 51.0 27.6 178 181 A V < + 0 0 2 -3,-1.7 37,-0.3 -4,-0.2 -17,-0.2 -0.712 37.6 176.4 -93.9 137.4 0.5 50.9 24.0 179 182 A D S S+ 0 0 55 -19,-2.5 37,-2.3 -2,-0.4 2,-0.4 0.777 77.5 24.5-100.9 -38.6 -2.2 53.3 22.5 180 183 A I E -ef 161 216A 17 -20,-2.2 -18,-3.4 35,-0.2 2,-0.4 -0.985 67.0-177.5-134.3 121.5 -2.2 52.1 18.9 181 184 A I E -ef 162 217A 0 35,-1.9 37,-2.6 -2,-0.4 -18,-0.2 -0.970 8.8-169.9-123.1 135.5 -1.1 48.7 17.8 182 185 A T + 0 0 4 -20,-2.2 37,-0.1 -2,-0.4 73,-0.1 -0.419 20.7 162.5-123.1 58.5 -1.0 47.6 14.1 183 186 A P - 0 0 0 0, 0.0 37,-2.0 0, 0.0 2,-0.1 -0.365 30.9-136.0 -75.4 153.9 -0.4 43.8 13.9 184 187 A N B > -g 220 0A 53 35,-0.2 4,-2.4 -20,-0.2 5,-0.2 -0.322 45.0 -83.7 -92.2-173.8 -1.0 41.6 10.9 185 188 A E H > S+ 0 0 50 35,-0.7 4,-2.1 2,-0.2 11,-0.2 0.918 129.5 48.8 -61.2 -45.3 -2.8 38.3 11.3 186 189 A T H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 115.5 45.5 -59.7 -43.9 0.3 36.3 12.3 187 190 A E H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 108.6 55.6 -69.5 -36.4 1.3 38.9 14.8 188 191 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 6,-0.4 0.910 111.4 44.6 -62.8 -42.6 -2.2 39.2 16.3 189 192 A E H X S+ 0 0 59 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.924 111.5 52.4 -66.5 -45.3 -2.2 35.5 17.0 190 193 A K H < S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 115.4 43.2 -59.8 -34.9 1.3 35.6 18.4 191 194 A L H < S+ 0 0 19 -4,-2.2 -1,-0.2 -22,-0.1 -2,-0.2 0.785 129.3 22.6 -82.4 -30.7 0.2 38.4 20.7 192 195 A T H < S- 0 0 26 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.659 94.7-121.2-111.1 -22.9 -3.2 37.0 21.8 193 196 A G S < S+ 0 0 63 -4,-3.3 2,-0.5 -5,-0.3 -4,-0.2 0.525 75.5 121.3 90.7 5.8 -3.0 33.3 21.3 194 197 A I - 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0 0 47 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.1 -0.587 52.4 -95.5 -81.2 148.7 -7.8 63.5 10.9 267 270 A P >> - 0 0 82 0, 0.0 4,-2.6 0, 0.0 3,-0.8 -0.317 37.6-108.6 -62.2 148.7 -10.6 61.1 12.1 268 271 A L H 3> S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.876 116.6 55.5 -45.4 -50.9 -9.5 57.4 12.1 269 272 A P H 3> S+ 0 0 93 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.872 114.1 39.8 -52.8 -41.2 -11.6 56.5 9.1 270 273 A E H <> S+ 0 0 99 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.856 112.9 56.2 -76.5 -36.7 -10.0 59.1 6.9 271 274 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -10,-0.2 0.919 108.1 48.0 -60.5 -44.5 -6.6 58.4 8.5 272 275 A I H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.831 109.7 52.2 -65.9 -33.5 -6.9 54.8 7.4 273 276 A R H X S+ 0 0 110 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.847 109.8 50.4 -71.2 -33.1 -7.9 55.8 3.9 274 277 A F H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.936 111.9 45.8 -68.5 -48.5 -4.8 58.0 3.7 275 278 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.880 112.1 52.3 -62.4 -40.5 -2.5 55.2 4.9 276 279 A H H X S+ 0 0 24 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.883 107.5 51.9 -63.6 -38.8 -4.1 52.7 2.5 277 280 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.938 110.4 48.4 -63.1 -46.2 -3.6 55.1 -0.4 278 281 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.915 113.6 46.4 -60.2 -45.4 0.1 55.4 0.4 279 282 A A H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.879 107.1 57.4 -65.9 -39.6 0.5 51.7 0.7 280 283 A A H < S+ 0 0 8 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.891 110.5 44.8 -57.8 -40.4 -1.4 51.1 -2.6 281 284 A I H >< S+ 0 0 16 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.915 107.9 58.8 -69.3 -43.4 1.2 53.3 -4.3 282 285 A A H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.826 98.9 56.9 -56.2 -38.4 4.1 51.6 -2.5 283 286 A V T 3< S+ 0 0 14 -4,-1.9 -38,-3.9 1,-0.3 -37,-2.1 0.594 97.3 63.4 -73.6 -8.3 3.3 48.1 -3.8 284 287 A T T < S+ 0 0 61 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.343 100.9 64.5 -95.0 6.7 3.5 49.3 -7.5 285 288 A R S < S- 0 0 88 -3,-1.4 2,-0.3 -39,-0.4 -40,-0.2 -0.920 82.4-113.0-130.6 156.7 7.2 50.2 -7.0 286 289 A K S S+ 0 0 121 -2,-0.3 -40,-0.1 4,-0.1 -2,-0.1 -0.653 73.1 21.9 -93.5 142.6 10.4 48.3 -6.3 287 290 A G S S- 0 0 0 -2,-0.3 4,-0.3 3,-0.1 -2,-0.1 0.030 83.4 -91.5 89.1 159.0 12.5 48.5 -3.2 288 291 A A S > S+ 0 0 0 2,-0.1 3,-1.5 3,-0.1 4,-0.4 0.963 112.8 16.0 -70.4 -87.6 11.5 49.6 0.3 289 292 A Q G > S+ 0 0 4 -252,-1.9 3,-1.4 1,-0.3 -251,-0.1 0.825 117.9 66.2 -59.3 -36.4 12.2 53.3 0.8 290 293 A P G 3 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.739 104.2 49.1 -59.8 -18.8 12.5 54.1 -3.0 291 294 A S G < S+ 0 0 0 -3,-1.5 -2,-0.2 -4,-0.3 -7,-0.2 0.545 79.7 114.5 -96.9 -9.4 8.8 53.2 -3.3 292 295 A V < - 0 0 1 -3,-1.4 2,-0.1 -4,-0.4 -13,-0.1 -0.524 63.7-134.7 -68.8 115.5 7.5 55.3 -0.4 293 296 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.358 11.0-124.8 -71.3 146.6 5.2 58.1 -1.9 294 297 A W >> - 0 0 100 -2,-0.1 4,-2.1 -243,-0.1 3,-0.7 -0.478 32.8 -97.5 -88.7 163.0 5.3 61.7 -0.9 295 298 A R H 3> S+ 0 0 51 -245,-2.5 4,-2.8 1,-0.3 5,-0.3 0.870 121.2 55.2 -45.5 -50.6 2.3 63.7 0.3 296 299 A E H 3> S+ 0 0 152 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.885 109.6 47.1 -53.5 -44.5 1.5 65.3 -3.1 297 300 A E H <> S+ 0 0 66 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.905 111.3 51.3 -66.4 -42.2 1.3 61.8 -4.7 298 301 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.958 113.1 44.0 -60.8 -50.6 -0.9 60.5 -1.9 299 302 A D H X S+ 0 0 46 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.864 112.5 52.6 -63.8 -35.7 -3.4 63.4 -2.2 300 303 A A H X S+ 0 0 44 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.944 108.9 50.4 -64.1 -46.3 -3.4 63.2 -6.0 301 304 A F H < S+ 0 0 28 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.930 113.1 46.7 -55.7 -47.7 -4.1 59.5 -5.8 302 305 A L H >< S+ 0 0 33 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.912 109.3 53.2 -61.8 -45.6 -7.0 60.2 -3.4 303 306 A D H 3< S+ 0 0 139 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.861 108.5 49.4 -60.0 -37.5 -8.4 63.1 -5.5 304 307 A R T 3< 0 0 174 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.570 360.0 360.0 -77.5 -7.5 -8.6 60.9 -8.6 305 308 A Q < 0 0 118 -3,-1.2 -1,-0.1 -4,-0.4 -3,-0.0 -0.637 360.0 360.0 -81.2 360.0 -10.3 58.3 -6.4