==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-AUG-98 1BR5 . COMPND 2 MOLECULE: PROTEIN (RICIN); . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR P.DAY,X.YAN,T.HOLLIS,M.SVINTH,A.F.MONZINGO,G.W.A.MILNE, . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 0 0 0 0 1 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 0 1 1 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 . 1 1 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 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 I 0 0 199 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.9 1.4 -5.6 35.6 2 2 A F - 0 0 67 1,-0.1 2,-1.7 0, 0.0 3,-0.1 -0.603 360.0 -84.9 -88.2 152.8 1.9 -2.5 33.3 3 3 A P S S- 0 0 87 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.493 109.2 -11.2 -65.4 92.3 -0.8 0.3 33.9 4 4 A K S S- 0 0 124 -2,-1.7 2,-0.6 1,-0.1 51,-0.0 0.659 74.1-128.7 75.5 117.7 -3.4 -1.3 31.5 5 5 A Q - 0 0 113 -3,-0.1 3,-0.1 1,-0.0 -1,-0.1 -0.875 33.8-121.3 -85.9 122.2 -2.4 -4.1 29.3 6 6 A Y - 0 0 19 -2,-0.6 52,-0.2 1,-0.1 49,-0.1 -0.280 39.7 -83.6 -59.6 151.8 -3.6 -2.9 25.8 7 7 A P - 0 0 37 0, 0.0 52,-2.9 0, 0.0 2,-0.4 -0.384 42.8-157.0 -62.6 141.1 -6.2 -5.3 24.1 8 8 A I E -a 59 0A 76 50,-0.2 2,-0.4 -3,-0.1 52,-0.2 -0.913 5.6-165.0-120.9 139.3 -4.7 -8.3 22.2 9 9 A I E -a 60 0A 17 50,-1.7 52,-2.5 -2,-0.4 2,-0.3 -0.996 14.6-149.4-128.7 127.3 -6.6 -10.0 19.4 10 10 A N E +a 61 0A 92 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.713 18.0 174.2-100.5 154.2 -5.2 -13.4 18.4 11 11 A F E -a 62 0A 13 50,-1.9 52,-2.5 -2,-0.3 2,-0.4 -0.974 13.6-149.1-153.1 146.6 -5.3 -15.1 15.0 12 12 A T E -a 63 0A 57 -2,-0.3 3,-0.3 50,-0.2 52,-0.2 -0.978 21.0-164.8-134.8 139.8 -3.9 -18.2 13.5 13 13 A T S > S+ 0 0 1 50,-0.8 3,-0.8 -2,-0.4 51,-0.1 0.672 78.9 91.7 -77.2 -18.2 -2.7 -19.3 10.1 14 14 A A T 3 S- 0 0 37 1,-0.3 -1,-0.2 -3,-0.1 50,-0.0 0.838 109.2 -2.8 -51.7 -56.7 -2.9 -22.9 11.4 15 15 A G T 3 S+ 0 0 62 -3,-0.3 -1,-0.3 2,-0.1 5,-0.1 -0.201 91.3 170.3-131.0 46.6 -6.4 -23.9 10.4 16 16 A A < + 0 0 23 -3,-0.8 2,-0.3 4,-0.1 -3,-0.1 -0.209 5.1 167.5 -68.4 144.8 -7.7 -20.6 8.9 17 17 A T > - 0 0 61 1,-0.1 4,-2.3 0, 0.0 5,-0.3 -0.924 53.9 -93.2-140.3 174.9 -10.9 -20.2 6.9 18 18 A V H > S+ 0 0 20 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.898 125.2 54.7 -61.6 -36.1 -13.0 -17.4 5.6 19 19 A Q H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 110.4 42.5 -67.3 -44.8 -15.0 -17.6 8.9 20 20 A S H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.828 114.9 51.0 -75.5 -22.8 -12.0 -17.3 11.2 21 21 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.884 111.0 47.5 -78.4 -36.6 -10.5 -14.5 9.1 22 22 A T H X S+ 0 0 20 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.980 112.1 51.2 -65.7 -51.9 -13.8 -12.5 9.1 23 23 A N H X S+ 0 0 68 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.916 110.5 48.4 -45.8 -52.8 -14.1 -12.9 12.8 24 24 A F H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.909 113.8 45.8 -58.9 -47.2 -10.5 -11.7 13.4 25 25 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.871 111.6 51.8 -70.9 -32.7 -11.1 -8.6 11.2 26 26 A R H X S+ 0 0 155 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.958 111.7 48.1 -62.9 -46.6 -14.4 -7.8 12.8 27 27 A A H X S+ 0 0 45 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.937 111.4 49.2 -57.2 -51.5 -12.8 -8.0 16.2 28 28 A V H >X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.5 0.901 113.1 47.0 -56.3 -44.2 -9.9 -5.8 15.1 29 29 A R H 3X S+ 0 0 40 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.930 109.9 53.7 -65.1 -41.4 -12.3 -3.2 13.7 30 30 A G H 3< S+ 0 0 55 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.694 107.7 51.1 -66.6 -25.2 -14.4 -3.3 16.8 31 31 A R H << S+ 0 0 141 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.763 113.8 45.7 -75.7 -36.1 -11.3 -2.6 18.9 32 32 A L H < S+ 0 0 2 -4,-1.5 2,-0.2 -3,-0.4 -2,-0.2 0.873 93.4 75.9 -77.7 -45.7 -10.3 0.5 16.7 33 33 A T S < S- 0 0 30 -4,-2.2 12,-0.2 1,-0.2 3,-0.1 -0.543 77.1-128.7 -83.7 143.7 -13.5 2.6 16.1 34 34 A T - 0 0 87 10,-0.9 2,-0.8 2,-0.2 -1,-0.2 0.769 39.5-124.0 -52.8 -25.1 -14.9 4.8 18.9 35 35 A G S S+ 0 0 48 1,-0.5 -1,-0.2 9,-0.2 9,-0.1 -0.886 92.5 52.8 109.0 -81.5 -18.2 3.2 18.4 36 36 A A + 0 0 59 -2,-0.8 -1,-0.5 -3,-0.1 8,-0.3 -0.011 67.3 84.1 -70.8 178.9 -19.7 6.6 17.8 37 37 A D + 0 0 15 1,-0.2 7,-3.1 227,-0.2 2,-0.6 0.887 54.1 174.2 73.5 83.2 -18.6 9.3 15.4 38 38 A V E -F 43 0B 51 5,-0.3 2,-0.6 3,-0.0 -1,-0.2 -0.986 15.7-163.6-119.1 110.0 -20.3 8.0 12.4 39 39 A R E > S-F 42 0B 12 3,-2.8 3,-2.5 -2,-0.6 180,-0.0 -0.943 78.8 -25.2-101.1 119.0 -20.0 10.3 9.5 40 40 A H T 3 S- 0 0 67 -2,-0.6 -1,-0.2 1,-0.3 209,-0.0 0.834 129.8 -49.4 42.6 46.4 -22.6 9.5 6.8 41 41 A E T 3 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.163 115.5 110.1 79.7 -7.1 -22.6 5.9 8.2 42 42 A I E < -F 39 0B 5 -3,-2.5 -3,-2.8 212,-0.0 -1,-0.2 -0.807 69.3-122.8 -98.5 130.8 -18.8 5.2 8.3 43 43 A P E -F 38 0B 35 0, 0.0 212,-1.7 0, 0.0 2,-0.4 -0.497 24.7-139.2 -64.1 137.0 -17.2 5.0 11.8 44 44 A V B -g 255 0C 0 -7,-3.1 -10,-0.9 -8,-0.3 -9,-0.2 -0.797 16.1-116.4-107.5 142.5 -14.3 7.5 12.3 45 45 A L - 0 0 0 210,-2.8 212,-0.2 -2,-0.4 -12,-0.1 -0.496 46.4 -88.4 -72.5 144.1 -11.1 6.6 14.1 46 46 A P - 0 0 17 0, 0.0 211,-0.2 0, 0.0 -1,-0.1 -0.290 45.1 -99.8 -64.3 141.3 -10.5 8.6 17.4 47 47 A N - 0 0 54 1,-0.1 30,-0.1 3,-0.1 3,-0.0 -0.309 20.9-138.8 -62.0 133.2 -8.6 11.9 17.3 48 48 A R S > S+ 0 0 83 1,-0.2 3,-0.8 29,-0.2 -1,-0.1 0.715 91.8 70.0 -62.8 -26.7 -5.0 11.6 18.3 49 49 A V T 3 S+ 0 0 119 1,-0.2 2,-0.2 3,-0.0 -1,-0.2 0.977 106.6 27.4 -62.2 -64.8 -5.2 14.9 20.3 50 50 A G T 3 S+ 0 0 70 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 -0.030 93.9 121.0 -91.6 36.4 -7.4 14.0 23.4 51 51 A L < - 0 0 31 -3,-0.8 2,-0.1 -2,-0.2 5,-0.1 -0.891 58.5-138.8-103.4 114.9 -6.4 10.4 23.3 52 52 A P > - 0 0 58 0, 0.0 3,-2.3 0, 0.0 4,-0.1 -0.466 19.5-121.1 -64.9 141.7 -4.8 9.0 26.5 53 53 A I G > S+ 0 0 46 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.842 110.7 67.7 -58.3 -28.8 -1.8 6.7 25.9 54 54 A N G 3 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.536 107.7 41.1 -73.5 4.2 -3.6 3.9 27.9 55 55 A Q G < S+ 0 0 106 -3,-2.3 -1,-0.3 -49,-0.1 -2,-0.2 0.119 93.0 94.5-120.7 7.1 -6.0 3.8 25.0 56 56 A R S < S+ 0 0 13 -3,-2.3 20,-2.0 -4,-0.1 21,-0.4 0.785 75.6 42.9 -83.1 -25.6 -3.5 4.2 22.2 57 57 A F E - B 0 75A 0 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.902 47.8-160.7-134.0 151.1 -2.6 0.7 20.9 58 58 A I E - B 0 74A 8 16,-2.0 16,-2.7 -2,-0.3 2,-0.4 -0.858 22.3-145.3-116.7 150.0 -4.1 -2.6 20.0 59 59 A L E -aB 8 73A 18 -52,-2.9 -50,-1.7 -2,-0.3 2,-0.6 -0.971 5.5-153.4-123.6 138.0 -1.8 -5.6 19.9 60 60 A V E -aB 9 72A 0 12,-2.2 12,-2.4 -2,-0.4 2,-0.9 -0.947 4.6-151.5-119.7 113.6 -2.3 -8.4 17.4 61 61 A E E -aB 10 71A 42 -52,-2.5 -50,-1.9 -2,-0.6 2,-0.8 -0.762 12.1-166.4 -88.3 108.7 -1.1 -11.8 18.3 62 62 A L E -aB 11 70A 0 8,-3.0 8,-2.1 -2,-0.9 -50,-0.2 -0.863 10.7-174.3-100.3 106.0 -0.2 -13.6 15.1 63 63 A S E -a 12 0A 25 -52,-2.5 -50,-0.8 -2,-0.8 2,-0.3 -0.481 7.2-146.7 -96.0 179.1 0.3 -17.2 15.8 64 64 A N > - 0 0 16 4,-0.2 3,-2.4 -52,-0.2 4,-0.1 -0.977 29.9-101.4-154.5 162.3 1.4 -19.9 13.4 65 65 A H T 3 S+ 0 0 109 -2,-0.3 -1,-0.0 1,-0.3 80,-0.0 0.440 121.2 41.7 -52.2 -14.1 1.5 -23.3 12.1 66 66 A A T 3 S- 0 0 65 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.002 120.7-101.3-127.3 28.3 4.8 -24.1 13.8 67 67 A E S < S+ 0 0 184 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.938 76.7 136.0 48.9 59.1 4.0 -22.4 17.1 68 68 A L - 0 0 18 -4,-0.1 2,-0.4 2,-0.0 -4,-0.2 -0.973 36.2-157.7-123.7 140.4 5.9 -19.3 16.6 69 69 A S - 0 0 42 -2,-0.4 18,-0.5 -6,-0.2 2,-0.3 -0.981 18.6-173.3-138.1 150.5 4.4 -16.0 17.5 70 70 A V E -BC 62 86A 0 -8,-2.1 -8,-3.0 -2,-0.4 2,-0.5 -0.935 12.4-153.1-128.0 139.4 4.6 -12.4 16.7 71 71 A T E -BC 61 85A 24 14,-2.4 14,-2.6 -2,-0.3 2,-0.3 -0.991 14.6-159.2-119.8 120.3 2.7 -9.5 18.4 72 72 A L E -BC 60 84A 0 -12,-2.4 -12,-2.2 -2,-0.5 2,-0.5 -0.769 11.9-133.9 -95.8 146.1 2.1 -6.4 16.3 73 73 A A E -BC 59 83A 0 10,-2.4 9,-2.2 -2,-0.3 10,-0.9 -0.905 20.6-165.4-102.6 128.5 1.3 -2.9 17.7 74 74 A L E -BC 58 81A 0 -16,-2.7 -16,-2.0 -2,-0.5 2,-0.7 -0.941 16.4-135.2-112.5 131.5 -1.5 -1.1 16.0 75 75 A D E >>> -BC 57 80A 4 5,-2.1 4,-2.4 -2,-0.4 3,-1.9 -0.784 11.2-149.5 -90.1 118.4 -2.2 2.6 16.4 76 76 A V T 345S+ 0 0 8 -20,-2.0 -1,-0.2 -2,-0.7 3,-0.1 0.896 90.1 64.2 -55.2 -43.2 -5.8 3.2 17.0 77 77 A T T 345S+ 0 0 14 -21,-0.4 180,-0.4 1,-0.2 -1,-0.3 0.485 130.3 0.8 -65.5 -5.1 -5.9 6.6 15.4 78 78 A N T <45S- 0 0 43 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.317 91.6-114.7-160.4 7.0 -5.0 5.2 11.9 79 79 A A T <5 + 0 0 0 -4,-2.4 -3,-0.2 1,-0.2 2,-0.1 0.621 59.6 162.3 52.3 21.2 -4.6 1.4 12.2 80 80 A Y E < -C 75 0A 68 -5,-0.6 -5,-2.1 -6,-0.1 2,-0.8 -0.402 45.3-124.8 -65.2 136.7 -0.9 1.9 11.4 81 81 A V E +C 74 0A 4 -7,-0.2 -7,-0.2 1,-0.2 12,-0.1 -0.714 33.1 178.6 -79.4 107.7 1.5 -1.1 12.3 82 82 A V E - 0 0 15 -9,-2.2 11,-2.1 -2,-0.8 2,-0.3 0.710 54.4 -50.0 -90.5 -15.4 4.0 0.8 14.5 83 83 A G E -CD 73 92A 0 -10,-0.9 -10,-2.4 9,-0.3 2,-0.3 -0.980 54.3-126.2 167.9-170.0 6.3 -2.1 15.5 84 84 A Y E -CD 72 91A 0 7,-2.7 7,-2.4 -2,-0.3 2,-0.4 -0.976 5.1-130.6-161.2 173.1 6.2 -5.7 16.8 85 85 A R E +CD 71 90A 46 -14,-2.6 -14,-2.4 -2,-0.3 2,-0.4 -0.994 19.5 172.0-137.8 137.5 7.5 -8.1 19.4 86 86 A A E > -CD 70 89A 1 3,-1.8 3,-1.9 -2,-0.4 2,-0.2 -0.974 66.0 -33.0-150.9 125.9 8.9 -11.6 18.9 87 87 A G T 3 S- 0 0 46 -18,-0.5 65,-0.0 -2,-0.4 -19,-0.0 -0.408 125.5 -25.8 59.0-119.2 10.5 -13.7 21.7 88 88 A N T 3 S+ 0 0 70 -2,-0.2 25,-2.2 23,-0.1 24,-1.4 0.337 120.5 82.7-109.1 11.0 12.2 -11.2 24.0 89 89 A S E < -De 86 113A 15 -3,-1.9 -3,-1.8 23,-0.2 2,-0.4 -0.726 54.2-160.7-113.2 160.5 12.9 -8.4 21.6 90 90 A A E -De 85 114A 0 23,-2.5 25,-1.6 -2,-0.3 2,-0.3 -0.988 5.5-170.9-143.2 139.8 10.8 -5.5 20.3 91 91 A Y E -De 84 115A 16 -7,-2.4 -7,-2.7 -2,-0.4 2,-0.3 -0.987 2.8-173.0-134.2 136.7 11.4 -3.5 17.1 92 92 A F E -De 83 116A 1 23,-1.5 25,-3.4 -2,-0.3 -9,-0.3 -0.950 29.6-110.6-130.3 149.9 9.5 -0.3 16.1 93 93 A F - 0 0 11 -11,-2.1 27,-0.3 -2,-0.3 25,-0.1 -0.281 53.5 -83.5 -67.6 167.2 9.8 1.7 12.9 94 94 A H - 0 0 102 25,-2.6 27,-0.3 22,-0.1 -1,-0.1 -0.682 55.6-116.2 -70.1 120.3 11.4 5.2 13.2 95 95 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.123 8.8-135.3 -56.9 154.6 8.6 7.6 14.5 96 96 A D S S+ 0 0 132 1,-0.1 2,-0.3 2,-0.0 3,-0.1 0.457 81.0 5.9 -89.9 -4.8 7.5 10.5 12.3 97 97 A N S > S- 0 0 58 1,-0.1 4,-2.7 0, 0.0 3,-0.2 -0.958 80.9 -95.9-172.3 158.7 7.5 13.0 15.0 98 98 A Q H > S+ 0 0 141 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.857 116.9 57.3 -48.5 -50.9 8.3 13.5 18.7 99 99 A E H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 111.6 43.1 -55.8 -39.8 4.8 12.9 20.0 100 100 A D H > S+ 0 0 31 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.960 111.1 54.4 -74.0 -46.4 4.8 9.4 18.3 101 101 A A H < S+ 0 0 40 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.856 110.9 48.6 -50.4 -38.4 8.4 8.8 19.5 102 102 A E H >< S+ 0 0 88 -4,-2.5 3,-1.1 2,-0.2 -1,-0.2 0.930 111.9 46.3 -66.3 -52.7 7.1 9.6 23.0 103 103 A A H >< S+ 0 0 5 -4,-2.1 3,-2.2 1,-0.3 -2,-0.2 0.873 99.0 68.9 -61.4 -39.6 4.0 7.3 22.9 104 104 A I G >< S+ 0 0 16 -4,-2.5 3,-1.5 1,-0.3 -1,-0.3 0.736 85.7 71.4 -55.6 -19.4 5.9 4.3 21.4 105 105 A T G < S+ 0 0 73 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.624 88.2 63.0 -74.2 -13.7 7.8 4.0 24.8 106 106 A H G < S+ 0 0 50 -3,-2.2 -1,-0.3 -4,-0.2 3,-0.2 0.363 88.5 90.0 -91.9 5.9 4.6 2.7 26.5 107 107 A L S < S- 0 0 6 -3,-1.5 2,-2.0 1,-0.2 3,-0.1 0.226 98.9 -7.4 -80.4-144.6 4.5 -0.3 24.2 108 108 A F S > S+ 0 0 12 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 -0.074 74.0 159.7 -50.0 71.3 6.3 -3.7 25.0 109 109 A T T 3 + 0 0 60 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.699 64.3 64.2 -78.2 -16.8 8.1 -2.5 28.2 110 110 A D T 3 S+ 0 0 108 -3,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.433 79.4 108.5 -83.4 -2.3 8.6 -5.8 29.6 111 111 A V < - 0 0 13 -3,-1.6 -22,-0.2 1,-0.2 3,-0.1 -0.448 64.5-144.2 -78.1 151.9 10.9 -6.9 26.7 112 112 A Q S S+ 0 0 124 -24,-1.4 2,-0.6 1,-0.2 -23,-0.2 0.944 87.2 42.6 -75.4 -50.1 14.5 -7.2 27.4 113 113 A N E +e 89 0A 70 -25,-2.2 -23,-2.5 -3,-0.1 2,-0.4 -0.828 64.2 178.8-110.7 118.8 15.6 -5.9 23.9 114 114 A R E +e 90 0A 91 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.910 3.8 179.1-112.8 142.9 14.0 -2.8 22.3 115 115 A Y E -e 91 0A 98 -25,-1.6 -23,-1.5 -2,-0.4 2,-0.5 -0.985 16.2-157.3-139.8 139.9 15.2 -1.6 18.9 116 116 A T E -e 92 0A 80 -2,-0.3 -23,-0.2 -25,-0.2 -22,-0.1 -0.993 29.5-125.3-118.0 125.8 13.8 1.4 16.9 117 117 A F - 0 0 18 -25,-3.4 -26,-0.0 -2,-0.5 -2,-0.0 -0.273 7.9-127.0 -69.8 159.4 14.6 1.0 13.2 118 118 A A S S+ 0 0 95 -24,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.724 92.0 61.4 -75.4 -24.5 16.4 3.7 11.3 119 119 A F S S- 0 0 25 1,-0.1 -25,-2.6 2,-0.0 -2,-0.2 -0.695 82.9-119.2-111.4 154.3 13.7 3.6 8.7 120 120 A G - 0 0 14 -27,-0.3 6,-0.1 -2,-0.3 -2,-0.1 -0.391 25.1-116.6 -83.7 169.3 10.0 4.4 8.9 121 121 A G + 0 0 5 -27,-0.3 2,-0.2 -2,-0.1 -40,-0.1 0.240 64.9 125.1 -98.7 10.8 7.3 1.9 8.1 122 122 A N S >> S- 0 0 55 1,-0.1 4,-2.2 4,-0.0 3,-1.2 -0.526 73.1-109.6 -77.0 140.1 5.5 3.4 5.1 123 123 A Y H 3> S+ 0 0 29 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.728 114.1 60.0 -30.7 -44.7 5.2 1.3 2.0 124 124 A D H 3> S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 111.3 38.9 -59.1 -46.5 7.7 3.5 -0.0 125 125 A R H <> S+ 0 0 86 -3,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.971 119.8 49.2 -65.8 -48.1 10.5 2.9 2.4 126 126 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.809 108.7 50.5 -64.3 -31.6 9.4 -0.7 2.8 127 127 A E H X>S+ 0 0 28 -4,-3.1 5,-1.5 -5,-0.2 4,-1.1 0.893 111.2 50.2 -72.5 -36.6 9.1 -1.4 -1.1 128 128 A Q H <5S+ 0 0 131 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.775 114.3 44.6 -66.1 -36.8 12.6 -0.0 -1.6 129 129 A L H <5S+ 0 0 28 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.889 113.8 47.4 -71.5 -50.9 13.9 -2.3 1.2 130 130 A A H <5S- 0 0 10 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.654 100.5-140.5 -61.8 -23.4 12.0 -5.3 0.0 131 131 A G T <5S+ 0 0 65 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.761 75.1 87.3 63.9 33.2 13.3 -4.5 -3.5 132 132 A N S - 0 0 87 -2,-0.3 3,-2.5 -3,-0.1 4,-0.2 -0.502 30.6-103.2 -84.3 158.5 6.8 -3.4 -5.2 134 134 A R G > S+ 0 0 21 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.839 119.5 58.0 -46.8 -40.5 3.4 -4.1 -3.7 135 135 A E G 3 S+ 0 0 90 1,-0.3 -1,-0.3 64,-0.1 64,-0.2 0.502 107.5 49.3 -73.7 2.7 1.9 -5.4 -7.0 136 136 A N G < S+ 0 0 106 -3,-2.5 2,-0.4 62,-0.1 -1,-0.3 0.254 92.0 89.6-121.0 10.9 4.7 -8.1 -7.1 137 137 A I S < S- 0 0 5 -3,-1.5 2,-0.3 -4,-0.2 61,-0.1 -0.904 76.1-126.7-111.1 131.8 4.3 -9.4 -3.6 138 138 A E - 0 0 91 -2,-0.4 61,-0.3 61,-0.2 2,-0.3 -0.607 21.1-159.6 -82.5 142.1 1.8 -12.3 -3.1 139 139 A L B +H 198 0D 0 59,-2.3 59,-1.3 -2,-0.3 2,-0.2 -0.767 38.4 81.1-116.2 160.9 -1.0 -12.2 -0.5 140 140 A G S > S- 0 0 0 -2,-0.3 4,-2.0 57,-0.2 5,-0.2 -0.740 89.7 -57.1 133.9-178.6 -3.1 -15.0 1.2 141 141 A N H > S+ 0 0 20 55,-0.3 4,-2.5 -2,-0.2 -1,-0.1 0.840 130.0 53.2 -69.6 -33.9 -2.7 -17.4 4.1 142 142 A G H > S+ 0 0 17 54,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.948 110.5 47.2 -65.9 -49.2 0.5 -19.0 2.8 143 143 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.886 112.7 49.8 -55.9 -39.6 2.2 -15.6 2.4 144 144 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.916 108.0 54.0 -68.6 -39.6 1.0 -14.7 5.9 145 145 A E H X S+ 0 0 56 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.928 111.8 45.7 -54.7 -41.0 2.4 -18.0 7.2 146 146 A E H X S+ 0 0 106 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.868 110.6 53.2 -71.6 -33.9 5.7 -17.0 5.6 147 147 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.950 105.7 50.4 -69.5 -47.4 5.6 -13.5 7.1 148 148 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.880 110.8 51.9 -58.7 -39.1 5.1 -14.4 10.7 149 149 A S H X S+ 0 0 36 -4,-1.2 4,-2.2 -5,-0.3 -1,-0.2 0.917 109.3 50.0 -63.1 -43.3 8.0 -16.9 10.5 150 150 A A H X S+ 0 0 16 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.935 110.3 48.1 -63.9 -46.2 10.3 -14.2 9.0 151 151 A L H X S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.832 112.0 49.9 -62.7 -40.6 9.5 -11.6 11.7 152 152 A Y H >X S+ 0 0 70 -4,-1.8 4,-0.8 -5,-0.3 3,-0.7 0.881 110.8 50.0 -67.8 -38.9 10.1 -14.1 14.5 153 153 A Y H 3<>S+ 0 0 102 -4,-2.2 5,-1.9 1,-0.2 -2,-0.2 0.648 90.9 76.9 -77.4 -13.4 13.5 -15.2 12.9 154 154 A Y H ><5S+ 0 0 41 -4,-1.2 3,-0.6 3,-0.2 -1,-0.2 0.885 93.9 53.0 -58.0 -37.9 14.7 -11.6 12.7 155 155 A S H <<5S+ 0 0 36 -3,-0.7 2,-1.3 -4,-0.5 -2,-0.2 0.957 111.4 45.0 -61.9 -55.5 15.3 -11.8 16.5 156 156 A T T 3<5S- 0 0 97 -4,-0.8 2,-1.2 2,-0.1 -1,-0.3 -0.497 125.9 -94.5 -90.7 65.1 17.4 -15.0 16.1 157 157 A G T < 5S+ 0 0 60 -2,-1.3 2,-2.4 -3,-0.6 -3,-0.2 0.204 92.9 117.6 47.9 -6.9 19.5 -13.8 13.1 158 158 A G < + 0 0 44 -5,-1.9 -5,-0.2 -2,-1.2 -1,-0.2 -0.465 52.0 132.2 -87.8 63.8 17.4 -15.3 10.1 159 159 A T + 0 0 48 -2,-2.4 -1,-0.1 -5,-0.2 -5,-0.1 0.733 30.9 161.7 -79.0-110.2 17.0 -11.8 9.3 160 160 A Q > - 0 0 143 -6,-0.1 4,-1.8 3,-0.1 5,-0.1 0.790 37.1-139.7 60.9 101.0 17.6 -10.5 5.8 161 161 A L H > S+ 0 0 52 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.873 96.1 61.3 -58.9 -36.6 16.0 -7.2 5.8 162 162 A P H > S+ 0 0 58 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.934 110.6 44.1 -53.2 -45.0 14.5 -7.5 2.1 163 163 A T H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.849 113.1 50.6 -67.3 -35.7 12.5 -10.4 3.4 164 164 A L H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.948 112.0 46.1 -70.5 -45.3 11.6 -8.6 6.7 165 165 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.921 113.2 51.0 -62.9 -40.5 10.3 -5.5 4.8 166 166 A R H X S+ 0 0 82 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.912 108.5 52.4 -58.6 -44.0 8.4 -7.8 2.4 167 167 A S H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.872 108.1 50.5 -65.5 -35.6 6.9 -9.5 5.5 168 168 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.955 109.3 50.7 -66.8 -46.5 5.7 -6.2 7.0 169 169 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.896 111.5 48.1 -54.1 -49.7 4.0 -5.2 3.7 170 170 A I H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.940 115.1 45.5 -54.8 -49.7 2.2 -8.5 3.5 171 171 A C H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 5,-0.4 0.873 108.6 55.6 -65.8 -38.5 1.1 -8.2 7.2 172 172 A I H X>S+ 0 0 15 -4,-3.0 5,-1.8 3,-0.2 4,-0.5 0.918 111.6 44.2 -63.0 -42.1 0.0 -4.5 6.8 173 173 A Q H <>S+ 0 0 0 -4,-1.9 5,-1.4 3,-0.2 -2,-0.2 0.962 113.5 46.8 -68.5 -50.9 -2.4 -5.4 3.9 174 174 A M H <5S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.507 129.9 23.3 -72.3 -5.1 -4.0 -8.5 5.4 175 175 A I H X5S+ 0 0 1 -4,-0.7 4,-1.6 -3,-0.4 -3,-0.2 0.553 130.9 27.9-122.7 -73.7 -4.6 -6.8 8.7 176 176 A S H X5S+ 0 0 1 -4,-0.5 4,-1.8 -5,-0.4 -3,-0.2 0.877 125.7 44.0 -71.2 -32.8 -4.7 -2.9 8.6 177 177 A E H > S+ 0 0 76 69,-1.3 4,-1.9 -2,-0.4 70,-0.2 0.866 101.7 62.0 -55.4 -35.7 -14.5 -4.0 3.5 183 183 A Y H > S+ 0 0 48 68,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.928 103.8 44.2 -56.0 -51.1 -13.3 -4.2 -0.1 184 184 A I H > S+ 0 0 0 -7,-0.3 4,-1.7 67,-0.2 3,-0.4 0.913 108.2 56.3 -72.9 -36.6 -9.8 -5.4 0.8 185 185 A E H X S+ 0 0 11 -4,-2.2 4,-2.3 -7,-0.5 -1,-0.2 0.902 106.1 55.7 -54.7 -36.4 -11.0 -7.9 3.5 186 186 A G H X S+ 0 0 26 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.883 104.1 51.3 -60.5 -42.1 -13.1 -9.3 0.5 187 187 A E H X S+ 0 0 23 -4,-1.4 4,-1.7 -3,-0.4 -1,-0.2 0.896 112.6 46.3 -60.4 -40.2 -9.9 -9.9 -1.7 188 188 A M H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.883 106.9 57.1 -70.6 -41.4 -8.2 -11.7 1.1 189 189 A R H X S+ 0 0 82 -4,-2.3 4,-3.2 -5,-0.2 -2,-0.2 0.905 107.6 49.0 -59.4 -40.9 -11.2 -13.9 1.9 190 190 A T H X S+ 0 0 60 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.897 110.2 49.9 -63.9 -43.4 -11.2 -15.1 -1.7 191 191 A R H X>S+ 0 0 7 -4,-1.7 5,-2.6 2,-0.2 4,-0.9 0.928 116.1 43.5 -64.0 -37.5 -7.5 -15.9 -1.6 192 192 A I H <5S+ 0 0 18 -4,-2.6 3,-0.2 3,-0.2 -2,-0.2 0.921 111.7 54.0 -72.1 -41.5 -8.2 -17.8 1.7 193 193 A R H <5S+ 0 0 165 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.929 122.7 27.7 -54.1 -50.3 -11.4 -19.5 0.3 194 194 A Y H <5S- 0 0 144 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.437 107.1-119.3 -96.3 -5.1 -9.5 -20.9 -2.8 195 195 A N T <5 + 0 0 133 -4,-0.9 2,-0.2 -3,-0.2 -3,-0.2 0.976 60.4 155.7 56.9 59.0 -6.1 -21.1 -1.2 196 196 A R < - 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