==== 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 LYASE 10-MAR-07 2P3Z . COMPND 2 MOLECULE: L-RHAMNONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; . AUTHOR V.N.MALASHKEVICH,J.M.SAUDER,M.DICKEY,J.M.ADAMS,S.K.BURLEY, . 810 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 7.4 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 40 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.5 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 7 0 1 2 2 1 4 3 1 2 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 3 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 PARALLEL BRIDGES PER LADDER . 5 2 2 0 0 0 2 2 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 2 0 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 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 2 A E 0 0 238 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 25.7 -7.1 55.5 59.1 2 3 A N - 0 0 153 1,-0.0 3,-0.1 3,-0.0 2,-0.0 -0.738 360.0-127.7 -92.3 110.0 -3.5 56.5 58.6 3 4 A I - 0 0 158 -2,-0.7 -1,-0.0 1,-0.1 0, 0.0 -0.288 25.5-103.9 -64.5 137.0 -1.0 53.7 59.4 4 5 A M - 0 0 105 1,-0.1 2,-0.4 147,-0.0 -1,-0.1 -0.262 39.3-119.3 -51.6 137.4 1.9 54.3 61.8 5 6 A T - 0 0 130 -3,-0.1 -1,-0.1 1,-0.0 -3,-0.0 -0.749 28.1-154.2 -92.2 134.2 5.1 54.7 59.9 6 7 A L - 0 0 47 -2,-0.4 103,-0.0 1,-0.0 141,-0.0 -0.912 7.1-132.2-115.8 133.2 7.9 52.1 60.7 7 8 A P - 0 0 12 0, 0.0 101,-1.8 0, 0.0 102,-0.2 -0.175 21.5-119.7 -69.2 159.5 11.7 52.4 60.3 8 9 A K B -A 107 0A 97 99,-0.2 68,-2.4 100,-0.1 2,-0.5 -0.601 38.0 -96.7 -85.8 162.5 13.9 49.8 58.7 9 10 A I E -B 75 0B 3 97,-2.9 96,-2.7 94,-0.3 66,-0.3 -0.749 40.1-178.4 -83.0 132.9 16.6 48.1 60.7 10 11 A K E + 0 0 109 64,-3.1 2,-0.3 -2,-0.5 65,-0.2 0.890 59.9 8.7 -95.0 -50.6 20.0 49.9 60.2 11 12 A H E -B 74 0B 29 63,-1.9 63,-3.5 93,-0.1 2,-0.4 -0.970 48.5-162.5-135.5 144.8 22.5 48.0 62.3 12 13 A V E +B 73 0B 1 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.990 20.4 178.8-118.1 139.6 22.8 44.8 64.4 13 14 A R E -B 72 0B 48 59,-2.7 59,-2.9 -2,-0.4 2,-0.4 -0.967 11.5-156.2-133.5 153.8 25.7 44.5 66.8 14 15 A A E +B 71 0B 0 -2,-0.3 388,-0.4 388,-0.3 2,-0.3 -0.992 13.0 171.7-133.2 136.8 26.8 41.8 69.3 15 16 A W E -B 70 0B 35 55,-2.5 55,-2.8 -2,-0.4 2,-0.3 -0.811 14.2-150.0-125.2 174.0 28.8 42.0 72.5 16 17 A F E -BC 69 399B 6 383,-1.7 383,-2.5 -2,-0.3 2,-0.3 -0.962 5.5-163.3-140.3 162.3 29.6 39.5 75.2 17 18 A I E -B 68 0B 9 51,-1.9 51,-2.3 -2,-0.3 381,-0.1 -0.946 61.5 -2.5-136.4 153.7 30.4 39.5 78.9 18 19 A G S S+ 0 0 3 -2,-0.3 3,-0.4 49,-0.2 6,-0.2 -0.121 75.7 111.9 61.5-157.7 32.0 36.7 80.9 19 20 A G S > S- 0 0 5 45,-0.3 3,-1.7 4,-0.2 47,-0.2 -0.139 89.3 -49.9 77.9-178.9 32.8 33.3 79.4 20 21 A A T 3 S+ 0 0 40 45,-2.7 -1,-0.2 1,-0.3 46,-0.1 0.609 135.9 49.9 -69.7 -15.5 36.3 31.8 78.8 21 22 A T T 3 S+ 0 0 43 -3,-0.4 -1,-0.3 44,-0.3 2,-0.2 0.184 118.9 24.3-111.3 17.2 37.6 34.9 77.0 22 23 A A S < S- 0 0 39 -3,-1.7 2,-0.7 -5,-0.1 -3,-0.1 -0.493 109.2 -21.7-148.1-138.9 36.6 37.5 79.6 23 24 A E > - 0 0 129 -2,-0.2 3,-1.0 -5,-0.1 -4,-0.2 -0.728 56.6-124.3-100.7 116.8 35.8 37.7 83.3 24 25 A K T 3 S+ 0 0 190 -2,-0.7 11,-0.1 1,-0.2 -6,-0.1 -0.166 95.2 23.8 -45.5 130.3 34.8 34.6 85.4 25 26 A G T 3 + 0 0 27 9,-0.2 -1,-0.2 39,-0.1 10,-0.2 0.675 68.9 148.2 82.9 21.2 31.5 35.1 87.2 26 27 A A < - 0 0 22 -3,-1.0 8,-0.2 1,-0.2 340,-0.1 0.672 30.6-173.0 -59.3 -14.1 30.1 37.8 84.9 27 28 A G > + 0 0 0 6,-3.0 3,-1.2 3,-0.2 -1,-0.2 -0.334 37.7 111.5 51.6-125.8 26.5 36.4 85.6 28 29 A G T 3 S- 0 0 1 336,-3.3 336,-0.1 1,-0.2 -1,-0.1 -0.436 94.3 -3.7 64.7-130.5 24.0 38.3 83.4 29 30 A G T 3 S+ 0 0 1 56,-0.2 2,-0.9 -2,-0.2 -1,-0.2 0.691 122.4 74.0 -72.0 -22.2 22.4 36.1 80.7 30 31 A D X - 0 0 0 -3,-1.2 3,-2.6 55,-0.2 -3,-0.2 -0.822 67.8-164.3 -97.0 95.5 24.5 32.9 81.5 31 32 A Y T 3 S+ 0 0 4 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.1 0.722 86.7 51.1 -47.8 -31.5 22.9 31.7 84.8 32 33 A H T 3 S+ 0 0 16 31,-0.2 2,-1.6 1,-0.2 -1,-0.3 0.368 78.3 99.3 -98.2 3.4 25.9 29.5 85.5 33 34 A D < + 0 0 1 -3,-2.6 -6,-3.0 -6,-0.1 2,-0.2 -0.504 61.2 128.5 -87.9 68.4 28.5 32.1 85.0 34 35 A Q - 0 0 10 -2,-1.6 -9,-0.2 1,-0.2 -8,-0.2 -0.517 54.3-110.1-115.2 176.9 28.8 32.7 88.8 35 36 A G > - 0 0 40 1,-0.3 3,-0.5 -10,-0.2 -1,-0.2 -0.047 50.9 -53.3 -93.3-159.3 31.6 32.8 91.4 36 37 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -2,-0.0 5,-0.0 -0.202 111.7 28.0 -70.4 163.8 32.7 30.5 94.3 37 38 A N T 3 S+ 0 0 171 1,-0.2 2,-0.4 4,-0.1 -1,-0.2 0.682 80.5 145.9 60.5 28.6 30.4 29.3 97.1 38 39 A H X - 0 0 9 -3,-0.5 3,-2.2 1,-0.1 -1,-0.2 -0.804 55.0-134.4-100.4 130.8 27.1 29.4 95.1 39 40 A W G > S+ 0 0 18 315,-2.6 3,-1.6 -2,-0.4 -1,-0.1 0.801 105.8 66.6 -42.2 -35.8 24.2 26.9 95.6 40 41 A I G 3 S+ 0 0 5 1,-0.3 -1,-0.3 314,-0.1 18,-0.1 0.535 107.9 36.6 -76.0 -1.6 24.1 26.6 91.8 41 42 A D G < S+ 0 0 22 -3,-2.2 2,-1.5 16,-0.1 -1,-0.3 0.182 86.4 121.3-128.1 11.8 27.5 25.0 91.7 42 43 A D S < S- 0 0 79 -3,-1.6 15,-0.2 1,-0.2 14,-0.1 -0.570 99.4 -57.7 -86.6 78.6 27.1 23.0 94.9 43 44 A H S S- 0 0 26 13,-2.8 2,-0.3 -2,-1.5 -1,-0.2 0.928 77.6-180.0 57.9 44.6 27.6 19.3 94.0 44 45 A I - 0 0 5 12,-0.3 148,-0.3 -4,-0.1 -1,-0.2 -0.667 31.6-113.1 -80.7 130.5 24.7 19.4 91.4 45 46 A A + 0 0 0 146,-2.7 184,-0.2 -2,-0.3 146,-0.2 -0.423 50.6 156.1 -66.6 138.0 24.1 16.1 89.6 46 47 A T > - 0 0 4 183,-0.2 3,-1.1 -2,-0.1 4,-0.3 -0.918 60.8 -89.6-148.6 173.9 25.0 16.1 85.9 47 48 A P T 3 S+ 0 0 23 0, 0.0 3,-0.2 0, 0.0 481,-0.1 0.723 129.5 45.7 -60.4 -17.8 26.0 13.8 83.0 48 49 A M T > S+ 0 0 0 479,-0.3 3,-2.3 1,-0.1 6,-0.3 0.504 84.7 88.8 -99.1 -9.8 29.6 14.5 84.2 49 50 A S T < S+ 0 0 3 -3,-1.1 -1,-0.1 1,-0.3 145,-0.1 0.634 72.6 75.2 -71.7 -9.6 29.3 14.1 88.0 50 51 A K T 3 S+ 0 0 101 -4,-0.3 2,-0.6 -3,-0.2 -1,-0.3 0.620 83.6 81.8 -66.8 -15.0 30.0 10.4 87.6 51 52 A Y S X S- 0 0 46 -3,-2.3 3,-2.3 1,-0.1 4,-0.3 -0.850 81.6-140.0 -98.1 120.1 33.7 11.6 87.1 52 53 A R G > S+ 0 0 213 -2,-0.6 3,-1.1 1,-0.3 4,-0.5 0.876 101.3 53.9 -51.1 -37.9 35.4 12.3 90.4 53 54 A D G 3 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.579 117.5 36.5 -67.5 -14.0 37.2 15.5 88.9 54 55 A Y G < S+ 0 0 24 -3,-2.3 -1,-0.2 -6,-0.3 -2,-0.2 0.091 92.5 92.5-131.9 20.6 33.8 16.9 87.8 55 56 A E S < S+ 0 0 52 -3,-1.1 -2,-0.1 -4,-0.3 -3,-0.1 0.903 86.4 41.4 -79.5 -49.5 31.5 15.8 90.7 56 57 A Q S S+ 0 0 110 -4,-0.5 -13,-2.8 1,-0.2 2,-0.4 0.830 119.4 34.9 -73.8 -32.9 31.7 18.7 93.1 57 58 A S > - 0 0 24 -15,-0.2 4,-0.6 -14,-0.2 -1,-0.2 -0.983 48.6-162.4-131.8 128.3 31.5 21.6 90.6 58 59 A R H >>>S+ 0 0 14 -2,-0.4 5,-1.8 1,-0.2 3,-0.9 0.850 98.7 63.8 -74.0 -30.8 29.7 22.2 87.2 59 60 A Q H >45S+ 0 0 37 1,-0.2 3,-1.6 3,-0.2 5,-0.3 0.922 92.2 63.8 -56.9 -39.1 32.1 25.0 86.6 60 61 A S H 345S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.826 105.0 43.4 -56.1 -35.9 35.0 22.5 86.6 61 62 A F H <<5S- 0 0 1 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.538 129.2 -95.1 -87.2 -6.4 33.7 20.8 83.5 62 63 A G T X<5 + 0 0 0 -3,-1.6 3,-1.5 -4,-0.8 4,-0.3 0.753 69.4 149.8 105.3 29.0 33.0 24.2 81.8 63 64 A I T 3 -B 9 0B 0 4,-2.8 3,-2.1 -2,-0.5 -66,-0.2 -0.493 32.1-104.3 -87.5 163.8 16.6 51.2 63.6 76 77 A E T 3 S+ 0 0 110 -68,-2.4 -67,-0.1 1,-0.3 -1,-0.1 0.730 122.3 58.9 -59.7 -25.1 17.2 53.9 61.1 77 78 A N T 3 S- 0 0 77 -69,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.342 120.3-110.5 -82.8 4.5 15.5 56.4 63.5 78 79 A R S < S+ 0 0 199 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.390 73.1 138.4 82.3 -0.8 18.2 55.5 66.1 79 80 A Q - 0 0 66 -5,-0.1 -4,-2.8 67,-0.0 2,-0.3 -0.495 38.3-155.0 -65.1 141.8 15.8 53.6 68.5 80 81 A T E -D 74 0B 35 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.910 18.3-173.5-120.9 152.5 17.4 50.4 69.8 81 82 A G E +D 73 0B 0 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.3 -0.934 15.8 169.1-130.3 161.6 16.2 47.0 71.1 82 83 A F E -D 72 0B 3 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.963 14.6-169.7-159.1 171.6 18.3 44.2 72.6 83 84 A A E -D 71 0B 0 -12,-1.4 -12,-2.2 -2,-0.3 2,-0.3 -0.965 15.9-132.9-163.0 169.2 18.2 41.0 74.4 84 85 A V E +D 70 0B 3 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.919 27.5 153.9-132.4 149.6 20.7 38.7 76.2 85 86 A S E -D 69 0B 3 -16,-2.0 -16,-2.3 -2,-0.3 2,-0.6 -0.896 49.3 -75.0-153.7-170.8 21.3 34.9 76.1 86 87 A T E S+D 68 0B 4 -2,-0.3 -18,-0.2 -18,-0.2 -19,-0.1 -0.875 90.8 82.0-100.5 118.2 24.0 32.3 76.6 87 88 A A >> + 0 0 0 -20,-1.7 3,-0.8 -2,-0.6 4,-0.8 0.121 54.4 179.5 178.3 -34.1 26.5 32.1 73.8 88 89 A G H 3> + 0 0 0 -3,-0.4 4,-2.0 -21,-0.3 3,-0.5 -0.219 66.5 2.5 52.4-132.1 29.1 34.9 74.3 89 90 A E H 3> S+ 0 0 21 -23,-0.4 4,-1.9 1,-0.3 -1,-0.2 0.872 133.5 49.5 -65.9 -41.1 31.9 35.2 71.8 90 91 A M H <> S+ 0 0 0 -3,-0.8 4,-2.4 1,-0.2 -1,-0.3 0.871 108.4 55.0 -63.4 -35.4 30.8 32.5 69.4 91 92 A G H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.5 -2,-0.2 0.919 105.0 54.8 -62.6 -41.1 27.3 34.0 69.4 92 93 A C H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.933 106.1 51.4 -54.2 -47.3 28.9 37.3 68.3 93 94 A F H X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.2 5,-0.4 0.966 110.2 48.6 -53.8 -56.3 30.6 35.5 65.4 94 95 A I H X>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 4,-0.9 0.871 117.4 40.7 -53.7 -41.5 27.3 34.0 64.2 95 96 A V H <>S+ 0 0 0 -4,-2.2 5,-1.7 3,-0.2 -1,-0.2 0.916 122.8 37.7 -75.2 -47.3 25.5 37.4 64.4 96 97 A E H <5S+ 0 0 1 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.797 127.0 34.0 -76.2 -32.1 28.2 39.6 63.0 97 98 A K H <5S+ 0 0 50 -4,-3.0 -3,-0.2 -5,-0.4 -1,-0.2 0.475 135.6 7.3-103.4 -9.5 29.5 37.2 60.3 98 99 A H T ><5S+ 0 0 0 -4,-0.9 3,-1.2 -5,-0.4 4,-0.2 0.535 122.7 44.2-136.0 -62.6 26.4 35.3 59.2 99 100 A L T >>< S+ 0 0 0 -4,-1.1 3,-1.6 -3,-0.4 -94,-0.3 0.938 89.9 81.8 -92.0 -59.5 18.5 41.3 59.7 104 105 A E T 3< S+ 0 0 42 -4,-2.6 -94,-0.2 1,-0.2 3,-0.1 -0.209 100.3 16.0 -60.1 135.7 19.9 44.5 58.3 105 106 A G T 3 S+ 0 0 52 -96,-2.7 -1,-0.2 1,-0.3 2,-0.1 0.351 94.9 120.4 80.8 -6.1 17.5 46.5 56.0 106 107 A K S < S- 0 0 33 -3,-1.6 -97,-2.9 1,-0.1 -1,-0.3 -0.426 74.1 -92.2 -76.8 163.4 14.3 44.6 56.9 107 108 A C B > -A 8 0A 17 -99,-0.2 3,-2.3 1,-0.1 -99,-0.2 -0.470 32.4-119.8 -70.3 144.4 11.3 46.4 58.4 108 109 A V T 3 S+ 0 0 2 -101,-1.8 39,-0.2 1,-0.3 3,-0.2 0.687 118.2 56.5 -58.5 -16.7 11.2 46.4 62.3 109 110 A S T 3 S+ 0 0 54 -102,-0.2 2,-0.7 1,-0.2 3,-0.4 0.434 79.4 94.6 -91.5 -0.0 8.0 44.4 61.9 110 111 A D <> + 0 0 50 -3,-2.3 4,-2.5 1,-0.2 5,-0.2 -0.017 46.4 128.1 -86.5 39.0 9.7 41.7 59.8 111 112 A I H > + 0 0 4 -2,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.903 69.5 43.4 -65.2 -49.8 10.3 39.5 62.9 112 113 A K H > S+ 0 0 151 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.846 114.0 52.6 -70.7 -32.9 8.9 36.1 61.7 113 114 A L H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 111.7 45.0 -59.1 -52.0 10.5 36.5 58.3 114 115 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.914 112.7 53.3 -61.7 -39.3 13.9 37.1 59.9 115 116 A H H X S+ 0 0 8 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.951 110.0 46.4 -62.5 -45.5 13.3 34.2 62.3 116 117 A D H X S+ 0 0 54 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.917 113.5 48.4 -59.4 -45.3 12.5 31.9 59.4 117 118 A Q H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 109.1 53.9 -61.9 -40.0 15.6 33.0 57.4 118 119 A M H X S+ 0 0 0 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.921 113.5 41.7 -63.3 -42.8 17.8 32.6 60.4 119 120 A L H X S+ 0 0 44 -4,-2.1 4,-1.0 -5,-0.2 3,-0.3 0.921 115.1 50.1 -67.4 -46.3 16.5 28.9 60.9 120 121 A G H < S+ 0 0 7 -4,-3.0 3,-0.4 1,-0.2 4,-0.3 0.909 113.9 45.9 -59.3 -39.6 16.7 28.1 57.2 121 122 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.702 117.7 39.6 -83.0 -18.8 20.2 29.4 56.8 122 123 A T H >X S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.3 4,-1.5 0.428 82.1 103.9-108.2 -4.3 21.8 27.8 59.9 123 124 A M T 3< S+ 0 0 32 -4,-1.0 4,-0.5 -3,-0.4 5,-0.2 0.809 74.4 61.8 -48.4 -34.1 20.0 24.5 59.6 124 125 A Y T 34 S+ 0 0 18 -4,-0.3 -1,-0.3 1,-0.2 413,-0.1 0.674 124.4 14.9 -74.4 -14.7 23.3 22.8 58.3 125 126 A Y T <4 S+ 0 0 0 -3,-2.3 413,-3.0 412,-0.1 414,-0.3 0.382 101.5 86.5-136.1 10.5 25.1 23.6 61.5 126 127 A S S >< S- 0 0 8 -4,-1.5 3,-1.2 411,-0.2 7,-0.5 0.714 70.6-150.2 -86.0 -19.6 22.6 24.5 64.3 127 128 A G T 3 - 0 0 10 -4,-0.5 155,-0.1 1,-0.2 -4,-0.1 0.768 55.8 -74.9 52.8 31.9 22.0 20.9 65.4 128 129 A S T 3 S- 0 0 23 -5,-0.2 154,-0.6 153,-0.1 2,-0.3 0.757 107.2 -1.9 74.2 5.5 18.4 21.7 66.6 129 130 A G S < S+ 0 0 1 -3,-1.2 3,-0.5 404,-0.1 4,-0.5 -0.963 87.8 72.2 156.1 178.2 19.3 23.6 69.8 130 131 A G S > S- 0 0 9 -2,-0.3 4,-2.5 150,-0.3 3,-0.4 -0.346 101.1 -4.0 73.2-159.6 22.1 24.6 71.9 131 132 A L H > S+ 0 0 1 401,-3.1 4,-1.6 1,-0.3 -1,-0.2 0.770 135.0 43.7 -38.9 -53.4 24.6 27.4 71.1 132 133 A V H > S+ 0 0 4 -3,-0.5 4,-2.4 -6,-0.3 -1,-0.3 0.921 116.3 47.3 -66.6 -44.6 23.4 28.3 67.6 133 134 A M H > S+ 0 0 1 -4,-0.5 4,-2.9 -7,-0.5 -2,-0.2 0.871 108.7 55.1 -63.7 -39.7 19.7 28.2 68.6 134 135 A N H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.866 109.1 49.6 -56.9 -37.8 20.5 30.4 71.7 135 136 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.936 110.1 48.3 -69.9 -46.1 22.0 32.9 69.3 136 137 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.966 112.0 51.0 -56.1 -56.1 19.0 32.9 67.0 137 138 A S H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 171,-0.3 0.906 105.9 54.2 -44.0 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26,-0.6 28,-2.1 -2,-0.4 -20,-0.3 -0.732 10.4-163.9 -91.3 141.3 7.3 21.2 78.4 299 300 A Q - 0 0 3 -22,-2.3 29,-0.3 -2,-0.3 -21,-0.1 -0.458 11.5-179.0-128.7 62.1 9.6 23.8 79.7 300 301 A P - 0 0 0 0, 0.0 28,-2.3 0, 0.0 2,-0.5 -0.255 25.9-131.4 -60.4 152.3 11.3 25.6 76.8 301 302 A D >> - 0 0 1 -23,-0.4 4,-3.2 -20,-0.4 3,-1.7 -0.938 11.2-146.5-101.2 124.1 13.8 28.4 77.6 302 303 A V H 3>>S+ 0 0 0 -2,-0.5 5,-1.1 26,-0.3 4,-0.5 0.901 100.5 52.5 -58.3 -40.0 12.9 31.5 75.5 303 304 A G H 345S+ 0 0 6 1,-0.2 -165,-0.3 2,-0.1 -1,-0.3 0.546 123.9 27.6 -72.0 -7.5 16.6 32.4 75.2 304 305 A W H <45S+ 0 0 18 -3,-1.7 -174,-0.2 -167,-0.1 -2,-0.2 0.586 104.8 66.9-127.9 -28.9 17.4 28.8 73.9 305 306 A C H <5S- 0 0 0 -4,-3.2 -22,-2.1 -23,-0.2 -3,-0.1 0.568 126.4 -73.5 -80.3 -5.8 14.4 27.2 72.2 306 307 A G T <5S- 0 0 0 -4,-0.5 3,-0.2 -5,-0.2 2,-0.1 0.308 80.3 -84.9 129.2 -3.6 14.5 29.6 69.2 307 308 A G >< - 0 0 0 -5,-1.1 4,-2.6 -6,-0.3 3,-0.3 -0.461 64.4 -46.0 103.7-176.3 13.1 32.8 70.8 308 309 A L H > S+ 0 0 0 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5,-2.3 1,-0.2 3,-1.2 0.933 113.1 50.9 -52.4 -49.4 0.7 22.3 74.6 319 320 A K H ><5S+ 0 0 117 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.888 103.0 59.1 -60.1 -40.0 -2.7 24.0 74.5 320 321 A S H 3<5S+ 0 0 95 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.738 107.0 48.9 -59.5 -23.8 -3.8 21.9 71.6 321 322 A R T <<5S- 0 0 100 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.338 117.9-109.4 -99.5 1.6 -3.1 18.8 73.8 322 323 A G T < 5S+ 0 0 76 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.746 80.7 127.1 77.1 23.6 -5.1 20.2 76.9 323 324 A Q < - 0 0 40 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.776 60.0-115.8-116.6 155.3 -1.7 20.6 78.7 324 325 A L - 0 0 60 -28,-0.4 -26,-0.6 -2,-0.3 2,-0.4 -0.464 17.6-151.9 -75.3 152.6 0.3 23.4 80.5 325 326 A V B -n 298 0E 0 18,-2.4 -26,-0.2 -28,-0.2 -28,-0.1 -0.989 10.9-175.4-121.9 135.3 3.5 24.9 79.3 326 327 A V - 0 0 0 -28,-2.1 21,-0.1 -2,-0.4 3,-0.1 -0.800 15.6-150.3-133.9 90.8 5.8 26.3 81.9 327 328 A P - 0 0 0 0, 0.0 21,-0.4 0, 0.0 -26,-0.2 -0.177 29.8 -95.2 -63.0 150.4 8.9 28.0 80.3 328 329 A H - 0 0 10 -28,-2.3 2,-0.7 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0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.262 26.1-118.4 -59.3 145.6 40.6 15.3 46.2 769 363 B Q T 3 S+ 0 0 4 9,-0.4 10,-0.1 1,-0.3 -2,-0.1 0.865 113.8 27.9 -48.1 -47.8 37.7 15.4 48.7 770 364 B F T > S- 0 0 6 4,-0.1 3,-2.4 -336,-0.1 4,-0.5 0.190 98.4-170.0-108.8 20.3 39.5 17.6 51.2 771 365 B D T < + 0 0 51 -3,-1.5 -336,-2.3 1,-0.3 4,-0.1 -0.263 61.5 10.9 -47.9 131.1 41.7 19.5 48.7 772 366 B P T 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 31,-0.2 -0.894 116.8 64.7-101.4 17.3 43.9 21.3 49.5 773 367 B I S < S+ 0 0 0 -3,-2.4 27,-2.6 1,-0.1 2,-0.6 0.797 90.2 66.9 -82.9 -23.0 44.2 20.6 53.2 774 368 B L E > S-D 799 0M 12 -4,-0.5 3,-0.8 25,-0.2 2,-0.4 -0.869 71.4-144.1-102.4 121.9 45.3 17.0 53.2 775 369 B L E 3 S+D 798 0M 70 23,-3.3 23,-1.6 -2,-0.6 -2,-0.0 -0.680 86.3 9.3 -79.2 132.3 48.8 16.0 51.8 776 370 B D T 3 S+ 0 0 113 -2,-0.4 -1,-0.2 1,-0.2 0, 0.0 0.825 84.7 176.8 66.8 39.6 48.8 12.6 50.0 777 371 B E < - 0 0 18 -3,-0.8 -1,-0.2 1,-0.1 19,-0.1 -0.637 26.0-127.2 -81.5 119.7 45.0 12.3 50.0 778 372 B P - 0 0 13 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