==== 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 09-JAN-01 1HWP . COMPND 2 MOLECULE: EBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SAMBUCUS EBULUS; . AUTHOR J.M.PASCAL,P.J.DAY,A.F.MONZINGO,S.R.ERNST,J.D.ROBERTUS . 515 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 2 0.4 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 . 50 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 0 3 0 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 PARALLEL BRIDGES PER LADDER . 10 7 7 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 3 3 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 93 0, 0.0 2,-1.8 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 153.9 6.3 31.9 70.3 2 2 A D - 0 0 163 3,-0.0 3,-0.1 49,-0.0 49,-0.0 -0.459 360.0-164.0 -85.0 66.0 5.1 35.0 68.4 3 3 A Y - 0 0 11 -2,-1.8 52,-0.1 1,-0.1 49,-0.1 -0.159 25.7-102.1 -51.3 140.1 6.9 37.5 70.6 4 4 A P - 0 0 52 0, 0.0 52,-2.8 0, 0.0 2,-0.3 -0.104 43.4-162.3 -59.8 164.7 5.6 41.1 70.1 5 5 A S E -a 56 0A 51 50,-0.2 2,-0.3 -3,-0.1 52,-0.2 -0.999 17.9-149.9-154.7 152.7 7.7 43.5 68.0 6 6 A V E -a 57 0A 9 50,-2.1 52,-3.2 -2,-0.3 2,-0.3 -0.891 20.4-151.0-119.1 150.5 8.3 47.1 67.2 7 7 A S E -a 58 0A 56 -2,-0.3 52,-0.2 50,-0.2 2,-0.2 -0.820 16.5-179.1-124.7 163.6 9.4 48.5 63.8 8 8 A F E -a 59 0A 6 50,-2.0 52,-1.4 -2,-0.3 2,-0.6 -0.724 9.6-162.6-162.8 106.1 11.4 51.5 62.4 9 9 A N E -a 60 0A 65 -2,-0.2 52,-0.2 50,-0.2 50,-0.1 -0.833 11.8-153.0 -96.9 119.1 12.0 52.1 58.8 10 10 A L S > S+ 0 0 7 50,-2.6 3,-1.8 -2,-0.6 2,-0.2 0.868 76.0 91.8 -54.8 -38.4 14.9 54.6 58.0 11 11 A A T 3 S- 0 0 39 49,-0.4 -2,-0.1 1,-0.3 3,-0.1 -0.413 107.5 -1.9 -62.3 126.3 13.1 55.4 54.8 12 12 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 -2,-0.2 -1,-0.3 0.847 99.7 151.9 59.9 33.7 10.8 58.3 55.3 13 13 A A < - 0 0 28 -3,-1.8 2,-0.2 -5,-0.1 -1,-0.2 -0.857 27.0-165.5-103.0 128.2 11.7 58.4 58.9 14 14 A K >> - 0 0 124 -2,-0.5 4,-1.7 -3,-0.1 3,-0.5 -0.658 38.9-102.3-105.3 164.1 11.6 61.6 61.0 15 15 A S H 3> S+ 0 0 18 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.865 124.6 53.5 -51.7 -38.1 13.1 62.3 64.4 16 16 A T H 3> S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.870 101.6 57.1 -66.0 -38.8 9.7 61.9 65.8 17 17 A T H <> S+ 0 0 49 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.916 110.7 44.8 -58.7 -43.4 9.2 58.4 64.2 18 18 A Y H X S+ 0 0 4 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.949 111.5 51.6 -65.3 -50.9 12.3 57.2 66.0 19 19 A R H X S+ 0 0 33 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.897 113.3 45.6 -52.5 -45.4 11.4 58.8 69.3 20 20 A D H X S+ 0 0 66 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.902 108.9 56.1 -66.1 -42.2 8.0 57.1 69.2 21 21 A F H X S+ 0 0 7 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.946 107.7 48.1 -55.1 -51.9 9.5 53.8 68.1 22 22 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.899 107.3 57.0 -56.4 -43.8 11.8 53.8 71.2 23 23 A K H >X S+ 0 0 81 -4,-1.8 4,-2.7 -5,-0.2 3,-0.6 0.954 105.7 49.5 -52.3 -55.2 8.8 54.6 73.4 24 24 A N H 3X S+ 0 0 79 -4,-2.2 4,-1.1 1,-0.3 -1,-0.2 0.904 108.6 52.7 -51.2 -47.8 6.9 51.6 72.2 25 25 A L H 3X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 5,-0.3 0.848 110.6 49.3 -58.2 -35.1 9.9 49.3 72.9 26 26 A R H S-F 39 0B 9 3,-1.4 3,-1.8 -2,-0.3 173,-0.1 -0.907 80.4 -5.2-114.7 139.3 11.7 54.0 91.8 37 37 A N T 3 S- 0 0 7 -2,-0.4 436,-0.4 1,-0.3 -1,-0.2 0.708 129.4 -58.2 56.7 21.0 11.4 57.8 91.3 38 38 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.3 -3,-0.1 171,-0.0 0.030 113.0 115.1 100.4 -28.0 9.1 57.1 88.3 39 39 A L E < -F 36 0B 2 -3,-1.8 -3,-1.4 1,-0.1 -1,-0.3 -0.620 64.3-125.8 -80.4 132.0 11.7 55.0 86.4 40 40 A P E -F 35 0B 22 0, 0.0 205,-2.4 0, 0.0 2,-0.6 -0.271 9.9-132.7 -74.8 162.3 10.8 51.3 85.9 41 41 A V E -g 245 0C 5 -7,-1.8 205,-0.2 -9,-0.4 -10,-0.1 -0.939 26.0-119.8-120.4 107.5 13.0 48.3 86.9 42 42 A L E -g 246 0C 1 203,-2.3 205,-0.6 -2,-0.6 -12,-0.1 -0.168 39.2-105.4 -47.3 126.3 13.3 45.6 84.2 43 43 A R - 0 0 38 -14,-0.5 2,-0.3 -12,-0.3 204,-0.2 0.128 33.8-120.8 -47.9 167.7 12.0 42.3 85.5 44 44 A R > - 0 0 68 3,-0.1 3,-1.4 -3,-0.1 -1,-0.1 -0.830 29.6 -93.6-117.8 156.2 14.3 39.5 86.6 45 45 A E G > S+ 0 0 132 -2,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.788 124.0 49.0 -28.8 -57.1 14.6 35.9 85.4 46 46 A S G 3 S+ 0 0 93 1,-0.3 2,-0.7 3,-0.0 -1,-0.3 0.870 110.4 51.0 -58.1 -41.3 12.3 34.6 88.1 47 47 A E G < S+ 0 0 86 -3,-1.4 -1,-0.3 1,-0.0 2,-0.2 -0.378 100.9 70.2 -97.4 55.7 9.6 37.1 87.4 48 48 A V < - 0 0 22 -3,-0.7 5,-0.1 -2,-0.7 2,-0.1 -0.741 68.9-139.5-171.1 117.6 9.3 36.7 83.6 49 49 A Q > - 0 0 134 -2,-0.2 3,-1.5 1,-0.1 -2,-0.0 -0.349 25.7-117.2 -78.6 160.2 7.9 33.8 81.6 50 50 A V G > S+ 0 0 66 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.765 113.5 67.6 -66.3 -25.8 9.4 32.5 78.3 51 51 A K G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.627 117.4 24.7 -69.8 -12.7 6.2 33.5 76.5 52 52 A N G < S+ 0 0 62 -3,-1.5 -1,-0.3 -49,-0.1 -2,-0.2 0.050 92.0 106.8-138.0 23.9 7.3 37.1 77.3 53 53 A R S < S+ 0 0 18 -3,-1.0 20,-1.4 1,-0.1 21,-0.4 0.696 79.6 42.0 -78.5 -20.8 11.0 36.7 77.6 54 54 A F E - B 0 72A 1 -4,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.965 57.6-163.5-134.7 149.3 11.9 38.3 74.3 55 55 A V E - B 0 71A 5 16,-2.3 16,-3.7 -2,-0.3 2,-0.4 -0.977 22.3-133.7-125.4 138.2 10.8 41.3 72.2 56 56 A L E -aB 5 70A 35 -52,-2.8 -50,-2.1 -2,-0.4 2,-0.6 -0.757 7.6-153.4 -99.6 141.9 11.6 41.7 68.5 57 57 A V E -aB 6 69A 2 12,-2.0 12,-2.1 -2,-0.4 2,-0.9 -0.922 5.6-161.4-115.1 108.2 13.0 44.8 66.8 58 58 A R E -aB 7 68A 93 -52,-3.2 -50,-2.0 -2,-0.6 2,-0.6 -0.778 12.1-177.6 -91.9 104.4 12.1 45.1 63.1 59 59 A L E -aB 8 67A 5 8,-3.0 8,-2.7 -2,-0.9 2,-0.6 -0.904 8.9-160.4-107.3 116.9 14.5 47.6 61.5 60 60 A T E -aB 9 66A 12 -52,-1.4 -50,-2.6 -2,-0.6 -49,-0.4 -0.842 11.1-143.3 -99.3 122.3 14.0 48.4 57.9 61 61 A N > - 0 0 4 4,-1.9 3,-2.5 -2,-0.6 -50,-0.2 -0.284 33.4 -94.7 -76.1 166.9 16.9 49.9 56.0 62 62 A Y T 3 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.922 125.5 54.7 -44.6 -58.1 16.5 52.6 53.3 63 63 A N T 3 S- 0 0 115 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.432 121.8-107.5 -60.6 1.2 16.5 50.0 50.5 64 64 A G S < S+ 0 0 34 -3,-2.5 2,-0.6 1,-0.3 -1,-0.1 0.042 77.8 135.9 94.6 -28.2 13.7 48.3 52.2 65 65 A D - 0 0 31 -5,-0.2 -4,-1.9 1,-0.1 2,-0.5 -0.404 40.7-162.5 -58.8 105.3 15.8 45.3 53.4 66 66 A T E -B 60 0A 35 -2,-0.6 2,-0.3 -6,-0.3 -6,-0.3 -0.819 9.5-164.2-101.4 130.6 14.6 45.0 57.0 67 67 A V E -B 59 0A 0 -8,-2.7 -8,-3.0 -2,-0.5 2,-0.4 -0.847 8.2-148.7-109.6 145.9 16.6 43.1 59.6 68 68 A T E -BC 58 82A 26 14,-1.5 14,-2.5 -2,-0.3 2,-0.4 -0.959 11.5-174.2-122.0 132.1 15.1 42.0 63.0 69 69 A S E -BC 57 81A 1 -12,-2.1 -12,-2.0 -2,-0.4 2,-0.4 -0.985 19.5-135.0-125.6 130.5 16.9 41.6 66.3 70 70 A A E -BC 56 80A 0 10,-2.0 10,-1.4 -2,-0.4 9,-1.1 -0.687 17.4-152.2 -87.0 131.4 15.3 40.2 69.5 71 71 A V E -BC 55 78A 2 -16,-3.7 -16,-2.3 -2,-0.4 2,-0.9 -0.784 19.5-117.1-103.1 146.2 15.9 42.0 72.8 72 72 A D E >>> -BC 54 77A 12 5,-2.4 4,-2.9 -2,-0.3 3,-2.2 -0.721 16.6-149.7 -85.4 108.1 15.9 40.4 76.2 73 73 A V T 345S+ 0 0 4 -20,-1.4 -30,-0.2 -2,-0.9 -1,-0.2 0.679 93.1 65.3 -49.8 -20.6 13.1 41.9 78.2 74 74 A T T 345S- 0 0 9 -21,-0.4 -1,-0.3 1,-0.1 173,-0.2 0.206 128.6 -1.4 -91.6 16.7 15.1 41.3 81.4 75 75 A N T <45S- 0 0 31 -3,-2.2 -2,-0.2 2,-0.1 -1,-0.1 0.329 95.3-106.1-179.6 -3.4 17.8 43.8 80.4 76 76 A L T <5 + 0 0 0 -4,-2.9 2,-0.3 1,-0.2 -3,-0.2 0.880 65.2 162.5 63.9 38.9 17.0 45.2 77.0 77 77 A Y E < -C 72 0A 109 -5,-0.9 -5,-2.4 85,-0.1 2,-1.9 -0.641 50.5-118.0 -92.5 147.3 19.8 43.1 75.5 78 78 A L E +C 71 0A 12 -2,-0.3 -7,-0.3 -7,-0.2 -8,-0.1 -0.601 38.1 177.4 -83.4 81.5 20.2 42.3 71.8 79 79 A V E - 0 0 10 -2,-1.9 11,-0.6 -9,-1.1 2,-0.3 0.862 56.6 -42.0 -53.7 -43.3 19.8 38.5 72.2 80 80 A A E -CD 70 89A 2 -10,-1.4 -10,-2.0 -3,-0.2 2,-0.3 -0.975 50.5-137.5-172.4 179.0 20.0 37.8 68.5 81 81 A F E -CD 69 88A 2 7,-1.2 7,-2.3 -12,-0.3 2,-0.3 -0.974 8.9-150.5-150.8 161.2 19.0 38.7 65.0 82 82 A S E -CD 68 87A 17 -14,-2.5 -14,-1.5 -2,-0.3 2,-0.4 -0.999 7.0-173.4-141.9 142.9 17.8 37.1 61.8 83 83 A A - 0 0 1 3,-1.6 -16,-0.1 -2,-0.3 -2,-0.0 -0.958 68.3 -29.4-139.0 117.1 18.0 37.8 58.0 84 84 A N S S- 0 0 83 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.919 130.4 -27.6 39.9 89.7 16.2 35.8 55.3 85 85 A G S S+ 0 0 49 1,-0.1 21,-1.2 20,-0.1 2,-0.4 0.757 120.0 111.0 50.0 28.3 15.9 32.3 56.8 86 86 A N E - e 0 106A 42 19,-0.3 -3,-1.6 21,-0.1 2,-0.4 -0.997 42.9-177.9-135.3 137.5 19.0 33.0 58.8 87 87 A S E -De 82 107A 0 19,-2.1 21,-1.4 -2,-0.4 2,-0.4 -0.991 5.4-164.7-135.3 142.5 19.5 33.4 62.6 88 88 A Y E -D 81 0A 25 -7,-2.3 -7,-1.2 -2,-0.4 2,-0.4 -0.983 4.0-173.2-131.9 140.9 22.6 34.2 64.6 89 89 A F E -D 80 0A 0 19,-0.5 21,-2.1 -2,-0.4 -9,-0.1 -0.985 31.0-105.8-131.4 141.5 23.4 33.9 68.4 90 90 A F - 0 0 14 -11,-0.6 23,-0.2 -2,-0.4 -1,-0.1 -0.015 46.6 -89.2 -58.0 168.1 26.5 35.0 70.3 91 91 A K S S+ 0 0 137 1,-0.1 -1,-0.1 18,-0.1 22,-0.1 0.823 129.8 53.5 -48.4 -33.4 29.1 32.6 71.5 92 92 A D S S+ 0 0 92 20,-0.0 -1,-0.1 2,-0.0 21,-0.1 0.976 72.7 154.1 -63.9 -85.2 26.9 32.5 74.7 93 93 A A - 0 0 14 -14,-0.1 2,-0.2 1,-0.1 -4,-0.1 0.928 34.3-142.4 53.0 99.7 23.5 31.6 73.2 94 94 A T > - 0 0 68 1,-0.1 4,-2.9 0, 0.0 3,-0.3 -0.492 22.3-112.5 -86.8 160.6 21.3 29.9 75.9 95 95 A E H > S+ 0 0 118 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.809 114.8 66.1 -61.3 -28.8 18.9 27.1 75.1 96 96 A L H 4 S+ 0 0 47 2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.947 113.4 28.2 -57.8 -52.3 16.1 29.5 75.9 97 97 A Q H >> S+ 0 0 13 -3,-0.3 4,-2.4 1,-0.2 3,-2.1 0.933 118.1 57.2 -75.6 -47.7 16.8 31.8 73.0 98 98 A K H 3< S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.680 114.5 41.9 -57.0 -17.8 18.3 29.1 70.7 99 99 A S T 3< S+ 0 0 61 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.081 125.1 29.9-121.8 33.4 15.0 27.2 71.1 100 100 A N T <4 S+ 0 0 33 -3,-2.1 2,-0.5 1,-0.2 3,-0.3 0.369 94.9 89.0-163.4 -10.6 12.5 30.1 70.9 101 101 A L S < S- 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -20,-0.1 -0.895 105.6 -17.5-108.5 123.9 14.0 32.8 68.6 102 102 A F S > S- 0 0 34 -2,-0.5 3,-1.6 1,-0.2 2,-0.5 0.917 78.3-163.8 52.5 51.6 13.4 32.8 64.9 103 103 A L T 3 S+ 0 0 113 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.525 70.5 39.9 -69.1 118.3 12.4 29.1 64.8 104 104 A G T 3 S+ 0 0 80 1,-0.5 -1,-0.2 -2,-0.5 -2,-0.1 0.066 95.5 91.6 131.2 -23.3 12.6 27.9 61.2 105 105 A T S < S- 0 0 33 -3,-1.6 2,-0.7 1,-0.1 -1,-0.5 -0.153 92.2 -73.3 -89.1-173.1 15.8 29.6 60.1 106 106 A T E -e 86 0A 66 -21,-1.2 -19,-2.1 -3,-0.1 2,-1.6 -0.772 40.9-147.0 -88.6 117.8 19.4 28.4 60.2 107 107 A Q E +e 87 0A 77 -2,-0.7 2,-0.7 -21,-0.1 -19,-0.2 -0.503 35.8 154.2 -86.6 71.2 20.7 28.4 63.7 108 108 A H - 0 0 72 -2,-1.6 -19,-0.5 -21,-1.4 2,-0.3 -0.880 34.2-143.2-102.0 114.8 24.4 29.2 63.3 109 109 A T - 0 0 65 -2,-0.7 -19,-0.2 -21,-0.2 -18,-0.1 -0.562 13.7-128.4 -78.4 136.7 25.9 30.9 66.4 110 110 A L - 0 0 30 -21,-2.1 -1,-0.1 -2,-0.3 3,-0.1 0.371 22.3-110.8 -60.9-156.4 28.5 33.6 65.9 111 111 A S S S+ 0 0 67 1,-0.2 2,-0.3 2,-0.1 -21,-0.1 0.016 86.3 57.1-137.0 31.9 31.8 33.5 67.7 112 112 A F S S- 0 0 27 -23,-0.1 -1,-0.2 39,-0.0 -2,-0.1 -0.881 76.7-115.1-164.9 129.2 31.8 36.4 70.3 113 113 A T - 0 0 16 -2,-0.3 -2,-0.1 -23,-0.2 -24,-0.0 -0.030 33.8-107.6 -58.6 166.0 29.5 37.3 73.2 114 114 A G S S+ 0 0 16 4,-0.1 5,-0.2 -35,-0.1 -1,-0.1 0.595 76.5 128.3 -73.2 -10.9 27.4 40.4 73.1 115 115 A N > - 0 0 74 1,-0.1 4,-2.1 3,-0.1 3,-0.3 -0.200 68.7-124.9 -48.4 130.0 29.6 42.0 75.7 116 116 A Y H >> S+ 0 0 33 1,-0.3 4,-2.8 2,-0.2 3,-0.6 0.916 112.2 48.3 -42.6 -59.4 30.7 45.5 74.4 117 117 A D H 3> S+ 0 0 113 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.891 108.6 56.1 -50.3 -43.6 34.4 44.7 74.8 118 118 A N H 3> S+ 0 0 52 -3,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.889 111.8 42.2 -57.3 -42.3 33.7 41.4 73.0 119 119 A L H XX S+ 0 0 0 -4,-2.1 4,-2.6 -3,-0.6 3,-0.8 0.964 113.1 50.0 -70.2 -54.2 32.2 43.2 70.0 120 120 A E H 3X>S+ 0 0 10 -4,-2.8 5,-1.1 1,-0.3 4,-0.8 0.873 112.1 50.5 -51.4 -40.2 34.8 46.0 69.9 121 121 A T H 3<5S+ 0 0 103 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.791 114.4 43.4 -69.8 -28.6 37.5 43.3 70.0 122 122 A A H <<5S+ 0 0 44 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.714 112.7 51.6 -88.4 -24.3 35.8 41.4 67.2 123 123 A A H <5S- 0 0 25 -4,-2.6 -2,-0.2 2,-0.3 -3,-0.2 0.565 105.6-127.0 -87.7 -10.7 35.1 44.6 65.1 124 124 A G T <5S+ 0 0 68 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.588 81.9 76.4 75.0 9.2 38.8 45.6 65.3 125 125 A T S - 0 0 143 -2,-0.3 3,-2.8 -3,-0.1 -9,-0.0 -0.724 33.8-107.8-102.2 152.2 36.2 50.6 69.8 127 127 A R G > S+ 0 0 14 1,-0.3 3,-1.4 -2,-0.3 -1,-0.1 0.804 112.2 76.4 -43.4 -37.2 32.8 52.3 70.2 128 128 A E G 3 S+ 0 0 97 1,-0.3 -1,-0.3 57,-0.1 3,-0.1 0.586 106.6 32.4 -54.9 -10.0 34.7 55.7 70.3 129 129 A S G < S+ 0 0 61 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.1 -0.247 87.3 94.6-146.1 53.9 35.0 55.4 66.6 130 130 A I S < S- 0 0 0 -3,-1.4 -2,-0.1 25,-0.1 -1,-0.1 -0.170 71.9-144.4-135.0 38.0 32.1 53.6 65.1 131 131 A E - 0 0 79 1,-0.1 54,-0.3 -3,-0.1 2,-0.2 0.468 12.5-152.5 -7.4 122.8 30.0 56.6 64.1 132 132 A L B +H 184 0D 0 52,-2.9 52,-1.2 4,-0.0 3,-0.1 -0.703 36.4 101.7-106.2 159.8 26.2 56.1 64.5 133 133 A G S > S- 0 0 0 -2,-0.2 4,-1.5 50,-0.2 50,-0.2 -0.974 79.3 -50.7 158.2-169.9 23.5 57.9 62.6 134 134 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.962 134.0 34.4 -61.6 -53.9 20.9 57.6 59.8 135 135 A N H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.943 115.3 55.6 -67.3 -49.6 23.3 56.4 57.2 136 136 A P H > S+ 0 0 20 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.815 107.2 53.5 -53.6 -28.9 25.5 54.4 59.6 137 137 A L H X S+ 0 0 5 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.899 106.4 50.9 -71.6 -42.3 22.2 52.6 60.5 138 138 A D H X S+ 0 0 34 -4,-1.4 4,-2.8 -3,-0.4 5,-0.2 0.954 111.6 46.6 -59.9 -51.0 21.5 51.8 56.9 139 139 A G H X S+ 0 0 37 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.846 111.8 54.4 -59.9 -34.1 25.0 50.3 56.4 140 140 A A H X S+ 0 0 4 -4,-1.4 4,-2.6 -5,-0.3 5,-0.3 0.998 111.4 40.3 -62.0 -67.8 24.5 48.4 59.7 141 141 A I H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.905 116.9 53.5 -46.5 -47.7 21.3 46.7 58.8 142 142 A T H X S+ 0 0 37 -4,-2.8 4,-3.1 -5,-0.3 5,-0.4 0.928 109.4 45.9 -54.3 -52.3 22.7 46.2 55.3 143 143 A S H < S+ 0 0 33 -4,-2.8 6,-1.4 1,-0.2 -1,-0.2 0.866 115.5 46.5 -61.6 -38.5 25.9 44.5 56.6 144 144 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 4,-0.2 -2,-0.2 0.866 115.3 49.0 -70.7 -35.9 23.9 42.3 59.0 145 145 A W H < S+ 0 0 51 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.978 130.7 11.6 -66.6 -60.2 21.4 41.5 56.2 146 146 A Y S < S+ 0 0 143 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.967 125.4 51.2 -83.4 -71.1 23.9 40.6 53.4 147 147 A D S S- 0 0 122 -5,-0.4 -3,-0.2 1,-0.2 -1,-0.1 0.467 115.4-105.7 -51.0 -1.3 27.4 40.1 54.9 148 148 A G - 0 0 19 -4,-0.2 -4,-0.2 -5,-0.2 -1,-0.2 0.140 64.4 -67.4 96.3 -21.7 25.9 37.8 57.5 149 149 A G - 0 0 6 -6,-1.4 -5,-0.2 -9,-0.1 -1,-0.1 0.824 59.4-163.3 100.5 81.2 26.0 40.3 60.4 150 150 A V > - 0 0 72 -10,-0.1 4,-1.3 -7,-0.1 -27,-0.1 -0.205 33.0 -99.4 -84.6 179.4 29.5 41.2 61.7 151 151 A A H >> S+ 0 0 0 -29,-0.2 4,-2.6 2,-0.2 3,-0.7 0.983 114.6 56.6 -64.2 -61.5 30.4 42.9 65.0 152 152 A R H 3> S+ 0 0 89 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.851 108.4 48.6 -38.6 -51.7 30.8 46.5 63.9 153 153 A S H 3> S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.905 111.7 49.8 -59.2 -42.7 27.2 46.6 62.5 154 154 A L H S+ 0 0 15 -4,-3.0 5,-2.1 1,-0.2 6,-0.2 0.831 112.4 37.4 -40.6 -47.8 23.1 48.1 70.2 159 159 A Q H <>S+ 0 0 0 -4,-1.2 5,-1.5 3,-0.2 -1,-0.2 0.905 111.5 58.7 -75.6 -42.3 23.6 51.8 71.0 160 160 A M H <5S+ 0 0 4 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.739 126.4 12.3 -60.1 -25.5 21.0 53.1 68.5 161 161 A V T X5S+ 0 0 5 -4,-1.9 4,-2.1 3,-0.1 5,-0.2 0.687 131.7 33.7-118.0 -75.2 18.3 51.1 70.2 162 162 A P H >5S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.947 123.8 46.2 -50.1 -53.3 18.9 49.5 73.6 163 163 A E H >> S+ 0 0 27 73,-2.2 4,-2.7 -2,-0.5 5,-0.2 0.684 87.8 66.9 -68.4 -18.4 17.3 59.7 76.6 169 169 A Y H > S+ 0 0 2 71,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.951 105.2 41.2 -65.8 -47.9 20.6 61.5 76.1 170 170 A I H > S+ 0 0 0 70,-0.3 4,-1.7 -3,-0.3 -2,-0.2 0.832 111.1 60.8 -66.6 -31.7 21.6 59.0 73.5 171 171 A E H >X S+ 0 0 9 -4,-1.5 4,-3.1 -7,-0.2 3,-0.7 0.981 109.4 38.7 -58.3 -59.4 18.0 59.2 72.2 172 172 A Q H 3X S+ 0 0 9 -4,-2.7 4,-2.5 1,-0.3 5,-0.3 0.818 110.2 61.7 -61.8 -32.3 18.3 62.9 71.5 173 173 A E H 3X S+ 0 0 44 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.3 0.857 113.7 35.9 -62.5 -34.3 21.8 62.4 70.2 174 174 A V H S+ 0 0 2 -4,-0.6 5,-2.3 -5,-0.3 -2,-0.2 0.931 112.1 35.9 -62.5 -47.5 21.4 62.9 64.0 178 178 A L H <5S+ 0 0 17 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.834 114.5 58.9 -74.9 -31.9 18.4 61.9 61.8 179 179 A Q H <5S+ 0 0 85 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.901 119.1 28.7 -62.0 -43.0 17.1 65.5 62.1 180 180 A Q T <5S- 0 0 94 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.340 105.6-128.8 -98.7 3.0 20.2 66.9 60.5 181 181 A L T 5 + 0 0 94 -4,-0.2 2,-0.4 1,-0.2 -3,-0.2 0.876 67.2 127.6 49.6 42.2 20.8 63.7 58.5 182 182 A T < - 0 0 79 -5,-2.3 -1,-0.2 -6,-0.3 -2,-0.2 -0.971 54.4-127.9-131.3 145.6 24.4 63.7 59.9 183 183 A S - 0 0 44 -2,-0.4 2,-0.3 -50,-0.2 -50,-0.2 -0.000 24.1-176.8 -77.7-173.4 26.4 61.0 61.7 184 184 A F B -H 132 0D 35 -52,-1.2 -52,-2.9 -54,-0.0 -54,-0.1 -0.934 21.0-123.4-177.9 158.9 28.3 61.2 65.0 185 185 A T - 0 0 66 -54,-0.3 -57,-0.1 -2,-0.3 -56,-0.1 -0.914 40.5 -93.9-117.6 144.6 30.6 59.2 67.3 186 186 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -55,-0.1 -0.260 42.5-143.1 -56.2 136.5 30.0 58.4 71.0 187 187 A N > - 0 0 37 1,-0.1 4,-2.5 -3,-0.0 5,-0.3 -0.395 31.4 -91.3 -94.1 175.5 31.6 61.0 73.3 188 188 A A H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 35,-0.1 0.897 126.1 47.7 -52.9 -44.2 33.3 60.3 76.7 189 189 A L H >> S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 3,-0.6 0.995 111.6 45.4 -60.9 -67.8 30.0 61.0 78.4 190 190 A M H 3> S+ 0 0 0 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.859 117.4 47.0 -44.0 -44.7 27.7 58.8 76.3 191 191 A L H 3X S+ 0 0 18 -4,-2.5 4,-1.2 2,-0.2 -1,-0.3 0.856 111.7 51.9 -68.1 -35.9 30.3 56.0 76.5 192 192 A S H XX S+ 0 0 2 -4,-2.0 4,-1.4 -3,-0.6 3,-1.2 0.976 111.4 42.7 -65.3 -57.3 30.6 56.5 80.2 193 193 A M H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 109.0 63.9 -61.4 -20.8 26.9 56.3 81.1 194 194 A E H 3< S+ 0 0 11 -4,-0.9 3,-0.5 -5,-0.5 -1,-0.3 0.852 108.7 38.2 -70.0 -35.1 26.9 53.4 78.7 195 195 A N H << S+ 0 0 82 -3,-1.2 3,-0.3 -4,-1.2 4,-0.3 0.622 111.8 60.3 -90.2 -15.6 29.3 51.5 81.0 196 196 A N X + 0 0 25 -4,-1.4 4,-1.6 1,-0.2 5,-0.3 -0.004 65.7 108.9-103.5 30.2 27.7 52.7 84.2 197 197 A W H > S+ 0 0 17 -3,-0.5 4,-0.9 2,-0.2 49,-0.4 0.932 84.7 42.8 -69.4 -44.3 24.1 51.3 83.7 198 198 A S H > S+ 0 0 49 -3,-0.3 4,-2.1 2,-0.2 5,-0.3 0.958 117.1 46.3 -65.0 -52.2 24.6 48.6 86.4 199 199 A S H > S+ 0 0 47 -4,-0.3 4,-2.4 1,-0.2 3,-0.3 0.983 116.0 41.9 -53.4 -70.4 26.3 50.9 88.9 200 200 A M H X S+ 0 0 1 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.750 110.5 65.6 -50.4 -23.8 24.0 53.9 88.6 201 201 A S H >X S+ 0 0 0 -4,-0.9 4,-1.5 -5,-0.3 3,-0.7 0.991 108.7 32.0 -63.9 -62.0 21.2 51.2 88.6 202 202 A L H 3X S+ 0 0 39 -4,-2.1 4,-2.6 -3,-0.3 -2,-0.2 0.799 111.6 66.3 -67.4 -27.7 21.8 49.9 92.1 203 203 A E H 3X S+ 0 0 31 -4,-2.4 4,-1.5 -5,-0.3 12,-0.5 0.864 107.4 41.1 -61.0 -34.8 22.9 53.4 93.3 204 204 A V H < - 0 0 17 -4,-1.9 3,-1.4 3,-0.1 -1,-0.1 -0.334 32.3 -18.6 96.6-179.4 15.1 54.3 97.1 209 209 A D T 3 S+ 0 0 95 1,-0.3 3,-0.1 -4,-0.1 -173,-0.1 -0.372 129.5 4.5 -66.4 137.4 12.0 55.9 95.9 210 210 A N T 3 S+ 0 0 60 1,-0.2 2,-0.5 -2,-0.1 136,-0.5 0.670 98.8 127.6 62.2 19.3 11.7 59.7 96.4 211 211 A V < - 0 0 35 -3,-1.4 -1,-0.2 134,-0.2 134,-0.2 -0.932 38.5-172.5-110.1 125.2 15.3 59.8 97.7 212 212 A S + 0 0 3 132,-1.5 21,-2.4 -2,-0.5 -1,-0.2 0.970 58.5 68.8 -81.5 -60.7 17.8 62.2 96.1 213 213 A P E S-J 232 0F 5 0, 0.0 2,-0.3 0, 0.0 19,-0.3 -0.195 75.3-128.9 -62.5 155.3 21.3 61.6 97.4 214 214 A F E - 0 0 0 17,-3.0 -10,-0.1 2,-0.3 -11,-0.1 -0.823 10.6-132.7-105.1 144.1 23.2 58.4 96.5 215 215 A S E S+ 0 0 30 -12,-0.5 2,-0.1 -2,-0.3 46,-0.1 0.771 97.6 4.1 -64.0 -22.8 24.8 56.1 99.2 216 216 A G E S- 0 0 18 -13,-0.1 2,-0.3 15,-0.1 -2,-0.3 -0.268 91.9 -89.5-131.9-141.9 27.7 56.3 96.8 217 217 A T E - 0 0 66 -2,-0.1 2,-0.5 2,-0.0 14,-0.2 -0.998 20.5-126.1-147.9 146.6 28.7 58.0 93.6 218 218 A V E -J 230 0F 0 12,-2.6 2,-1.4 -2,-0.3 12,-1.4 -0.815 21.3-139.3 -95.0 125.2 28.4 57.3 89.8 219 219 A Q E +J 229 0F 109 -2,-0.5 10,-0.2 10,-0.2 2,-0.1 -0.616 40.6 155.2 -87.3 83.6 31.6 57.5 87.9 220 220 A L E -J 228 0F 0 8,-1.7 8,-2.2 -2,-1.4 2,-0.3 -0.284 29.8-133.1 -94.2-175.5 30.7 59.3 84.7 221 221 A Q E -J 227 0F 65 6,-0.3 -29,-0.2 -32,-0.1 -28,-0.2 -1.000 0.8-134.1-147.0 147.6 33.0 61.4 82.4 222 222 A N > - 0 0 40 4,-2.9 3,-1.9 -2,-0.3 6,-0.1 -0.415 40.9 -98.3 -89.7 171.0 33.1 64.7 80.6 223 223 A Y T 3 S+ 0 0 101 1,-0.3 -35,-0.2 2,-0.1 -1,-0.1 0.905 124.9 58.6 -56.3 -43.9 34.2 65.2 77.0 224 224 A D T 3 S- 0 0 107 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.566 120.3-113.5 -63.6 -6.9 37.7 66.3 78.2 225 225 A H S < S+ 0 0 137 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.211 71.4 140.4 91.5 -11.8 37.8 62.8 79.8 226 226 A T - 0 0 61 1,-0.1 -4,-2.9 -5,-0.1 -1,-0.3 -0.287 63.0 -92.9 -60.8 147.5 37.8 64.3 83.3 227 227 A P E -J 221 0F 81 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.428 32.8-163.8 -68.9 131.8 35.7 62.4 85.9 228 228 A R E -J 220 0F 42 -8,-2.2 -8,-1.7 -2,-0.2 2,-0.7 -0.860 11.1-170.7-116.5 92.2 32.1 63.6 86.4 229 229 A L E -J 219 0F 78 -2,-0.6 2,-0.5 -10,-0.2 -10,-0.2 -0.770 3.9-163.8 -92.1 113.3 30.9 62.0 89.6 230 230 A V E +J 218 0F 0 -12,-1.4 -12,-2.6 -2,-0.7 -14,-0.1 -0.816 12.7 177.7 -95.5 129.0 27.2 62.4 90.3 231 231 A D E + 0 0 6 -2,-0.5 -17,-3.0 -14,-0.2 2,-0.3 0.452 63.2 57.0-108.1 -5.0 26.1 61.8 93.9 232 232 A N E > S-J 213 0F 2 -19,-0.3 4,-1.8 1,-0.1 -20,-0.1 -0.890 75.9-127.7-127.3 158.3 22.4 62.6 93.5 233 233 A F H > S+ 0 0 5 -21,-2.4 4,-2.8 -2,-0.3 5,-0.3 0.929 106.4 61.8 -67.8 -47.4 19.6 61.3 91.3 234 234 A E H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 108.6 45.1 -46.4 -41.8 18.5 64.8 90.1 235 235 A E H > S+ 0 0 16 2,-0.2 4,-1.0 1,-0.2 5,-0.3 0.954 109.8 53.3 -68.4 -50.9 22.0 65.1 88.6 236 236 A L H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 6,-0.5 0.868 114.8 42.4 -51.9 -41.4 22.0 61.6 87.1 237 237 A Y H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.961 109.3 54.0 -72.4 -53.6 18.7 62.3 85.3 238 238 A K H < S+ 0 0 15 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.592 124.1 30.1 -58.7 -8.9 19.4 65.8 84.1 239 239 A I H < S+ 0 0 0 -4,-1.0 276,-0.3 -3,-0.3 -2,-0.2 0.766 129.3 30.0-115.0 -56.9 22.5 64.4 82.5 240 240 A T H < S- 0 0 0 -4,-2.5 -71,-1.2 -5,-0.3 -70,-0.3 0.640 83.9-146.4 -81.8 -14.6 22.0 60.8 81.5 241 241 A G < - 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