==== 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 10-FEB-10 3LQS . COMPND 2 MOLECULE: D-ALANINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR B.W.LEPORE,D.LIU,Y.PENG,M.FU,C.YASUDA,J.M.MANNING,R.B.SILVER . 560 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 22.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 . 45 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 3 1 2 0 0 0 0 2 4 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 9 6 2 5 3 0 0 4 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 0 0 1 0 3 0 0 0 1 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 G 0 0 64 0, 0.0 11,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-178.1 63.1 19.5 31.1 2 2 A Y E -A 11 0A 58 9,-0.2 113,-0.4 74,-0.2 2,-0.4 -0.919 360.0-156.4-120.0 147.1 60.9 22.4 32.0 3 3 A T E -A 10 0A 0 7,-2.7 7,-2.7 -2,-0.3 2,-0.5 -0.932 20.7-123.2-122.9 138.9 57.2 22.9 31.6 4 4 A L E -AB 9 113A 0 109,-3.0 109,-1.9 -2,-0.4 2,-0.5 -0.769 31.0-177.5 -76.4 125.6 55.2 26.1 31.2 5 5 A W E > -AB 8 112A 72 3,-3.0 3,-2.5 -2,-0.5 2,-0.5 -0.944 63.5 -50.5-132.2 107.6 52.6 26.1 34.0 6 6 A N T 3 S- 0 0 35 105,-2.5 104,-0.0 -2,-0.5 -2,-0.0 -0.554 122.6 -27.5 59.1-113.4 50.4 29.1 33.9 7 7 A D T 3 S+ 0 0 59 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.217 121.5 94.2-112.8 14.0 53.0 31.9 33.6 8 8 A Q E < -A 5 0A 113 -3,-2.5 -3,-3.0 2,-0.0 2,-0.6 -0.772 66.5-139.5-103.6 150.4 55.8 30.0 35.4 9 9 A I E +A 4 0A 45 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.952 37.9 172.6-105.9 114.5 58.6 27.9 34.0 10 10 A V E -A 3 0A 27 -7,-2.7 -7,-2.7 -2,-0.6 2,-0.1 -0.830 40.3 -92.1-128.2 154.9 59.0 24.9 36.3 11 11 A K E >> -A 2 0A 103 -2,-0.3 3,-2.3 -9,-0.2 4,-0.5 -0.494 45.3-115.8 -64.1 139.6 60.9 21.6 36.4 12 12 A D G >4 S+ 0 0 52 -11,-2.2 3,-1.3 1,-0.3 -1,-0.1 0.827 112.3 57.9 -45.0 -45.2 58.7 18.9 34.8 13 13 A E G 34 S+ 0 0 135 1,-0.2 -1,-0.3 -12,-0.2 -11,-0.1 0.625 96.4 63.0 -69.0 -12.5 58.4 16.9 38.0 14 14 A E G <4 S+ 0 0 122 -3,-2.3 2,-0.4 -11,-0.0 -1,-0.2 0.716 80.0 102.3 -82.4 -18.4 56.8 19.9 39.9 15 15 A V << + 0 0 17 -3,-1.3 2,-0.4 -4,-0.5 285,-0.2 -0.493 47.8 177.4 -74.2 121.7 53.7 20.0 37.6 16 16 A K - 0 0 85 -2,-0.4 2,-0.4 283,-0.1 283,-0.1 -0.986 17.6-148.4-125.8 134.6 50.6 18.4 39.1 17 17 A I B -G 298 0B 7 281,-1.9 281,-0.9 -2,-0.4 2,-0.3 -0.812 21.1-124.3 -98.1 139.0 47.2 18.3 37.5 18 18 A D > - 0 0 68 -2,-0.4 3,-2.0 1,-0.1 6,-0.2 -0.615 14.0-127.9 -80.4 142.2 44.0 18.4 39.7 19 19 A K T 3 S+ 0 0 21 1,-0.3 -1,-0.1 -2,-0.3 374,-0.0 0.715 111.3 49.9 -58.7 -22.4 41.5 15.6 39.4 20 20 A E T 3 S+ 0 0 34 4,-0.1 76,-1.7 5,-0.0 2,-0.3 0.143 73.6 131.2-109.4 18.7 38.8 18.2 38.9 21 21 A D B X> -H 95 0C 1 -3,-2.0 4,-1.7 74,-0.2 3,-1.3 -0.582 63.4-133.6 -59.7 126.2 40.6 20.1 36.2 22 22 A R H 3>>S+ 0 0 2 72,-2.9 6,-2.0 -2,-0.3 4,-2.0 0.745 105.1 64.1 -65.3 -21.8 37.8 20.4 33.6 23 23 A G H 345S+ 0 0 0 4,-0.3 4,-0.5 3,-0.2 -1,-0.3 0.835 107.7 43.1 -61.3 -34.1 40.4 19.4 30.9 24 24 A Y H <45S+ 0 0 1 -3,-1.3 -2,-0.2 -6,-0.2 -1,-0.2 0.834 122.1 36.1 -81.3 -34.4 40.6 16.0 32.8 25 25 A Q H <5S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.2 0.745 138.4 9.6 -92.6 -24.1 36.9 15.5 33.4 26 26 A F T <5S- 0 0 0 -4,-2.0 404,-1.2 -5,-0.2 405,-0.3 0.413 91.4-114.3-132.7 -5.5 35.3 16.9 30.3 27 27 A G < + 0 0 0 -5,-0.5 2,-1.8 -4,-0.5 120,-0.6 0.853 56.6 167.5 64.5 32.4 38.1 17.6 27.8 28 28 A D + 0 0 0 -6,-2.0 65,-2.1 119,-0.1 66,-0.3 -0.561 37.2 69.8 -88.5 81.7 37.1 21.2 28.3 29 29 A G E -C 92 0A 0 -2,-1.8 118,-1.9 63,-0.3 119,-0.3 -0.978 65.6-123.3-178.7 172.0 40.0 22.9 26.7 30 30 A V E -CD 91 146A 0 61,-2.4 61,-2.6 -2,-0.3 2,-0.3 -0.875 23.4-171.8-130.6 163.8 41.9 23.8 23.6 31 31 A Y E -C 90 0A 12 114,-1.8 2,-0.3 -2,-0.3 59,-0.2 -0.957 10.5-156.6-153.4 167.3 45.5 23.3 22.4 32 32 A E E -C 89 0A 0 57,-2.5 57,-2.2 -2,-0.3 2,-0.4 -0.958 7.9-150.8-140.1 161.2 48.1 24.0 19.7 33 33 A V E -C 88 0A 18 -2,-0.3 2,-0.4 55,-0.2 55,-0.2 -0.997 15.0-169.0-131.4 129.2 51.3 22.4 18.4 34 34 A V E -C 87 0A 0 53,-2.3 53,-2.6 -2,-0.4 2,-0.3 -0.983 16.7-134.2-122.1 131.3 54.0 24.7 16.9 35 35 A K E -C 86 0A 0 -2,-0.4 7,-2.7 7,-0.3 2,-0.4 -0.617 14.7-156.8 -82.5 140.4 57.0 23.3 15.0 36 36 A V E -CE 85 41A 0 49,-2.9 49,-2.0 -2,-0.3 2,-0.5 -0.977 5.6-166.6-117.8 129.4 60.5 24.7 15.9 37 37 A Y E > S- E 0 40A 5 3,-2.9 3,-2.3 -2,-0.4 47,-0.2 -0.987 72.6 -21.5-121.4 123.9 63.2 24.5 13.2 38 38 A N T 3 S- 0 0 59 -2,-0.5 46,-0.2 1,-0.3 -1,-0.2 0.879 130.3 -47.1 40.6 49.9 66.8 25.1 14.3 39 39 A G T 3 S+ 0 0 31 44,-3.3 2,-0.5 1,-0.2 -1,-0.3 0.345 117.4 109.8 82.6 -5.7 65.6 27.1 17.4 40 40 A E E < -E 37 0A 109 -3,-2.3 -3,-2.9 43,-0.3 2,-0.3 -0.897 66.3-128.0-110.4 132.1 63.1 29.2 15.6 41 41 A M E -E 36 0A 35 -2,-0.5 2,-0.4 -5,-0.2 3,-0.4 -0.571 23.0-137.1 -74.1 128.6 59.3 28.8 15.9 42 42 A F S S- 0 0 20 -7,-2.7 -7,-0.3 -2,-0.3 234,-0.1 -0.783 76.4 -16.0 -90.3 130.7 57.5 28.5 12.6 43 43 A T S > S+ 0 0 24 -2,-0.4 4,-1.8 1,-0.1 -1,-0.2 0.796 80.2 157.9 47.0 40.6 54.2 30.5 12.1 44 44 A V H > + 0 0 13 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.873 67.0 56.6 -62.5 -37.5 54.0 31.1 15.9 45 45 A N H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 106.7 49.2 -60.9 -43.8 51.7 34.1 15.4 46 46 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 111.8 48.4 -62.7 -41.1 49.2 32.1 13.4 47 47 A H H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.903 111.0 49.8 -66.4 -42.4 49.1 29.4 16.0 48 48 A I H X S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.924 110.4 51.3 -61.2 -43.3 48.6 31.8 18.9 49 49 A D H X S+ 0 0 76 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 111.4 47.8 -58.0 -46.4 45.8 33.5 17.0 50 50 A R H X S+ 0 0 30 -4,-2.2 4,-2.8 2,-0.2 95,-0.2 0.879 107.6 54.9 -65.5 -39.3 44.1 30.1 16.5 51 51 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.945 112.1 44.2 -53.4 -50.0 44.5 29.2 20.2 52 52 A Y H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.853 113.7 50.5 -67.1 -34.4 42.7 32.4 21.2 53 53 A A H X S+ 0 0 41 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.903 111.8 47.5 -66.7 -43.8 40.1 31.8 18.5 54 54 A S H X S+ 0 0 1 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.934 113.3 49.2 -61.2 -47.6 39.5 28.2 19.7 55 55 A A H ><>S+ 0 0 1 -4,-2.8 5,-2.6 1,-0.2 3,-1.2 0.922 110.3 50.0 -57.2 -46.7 39.3 29.5 23.3 56 56 A E H ><5S+ 0 0 158 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.862 101.6 62.8 -63.9 -35.6 36.8 32.2 22.4 57 57 A K H 3<5S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.723 114.0 33.9 -60.5 -26.1 34.6 29.7 20.5 58 58 A I T <<5S- 0 0 0 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.127 118.8-110.8-115.1 15.5 34.0 27.8 23.8 59 59 A R T < 5 + 0 0 132 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.817 64.3 149.1 59.1 39.6 34.1 31.0 25.9 60 60 A I < - 0 0 8 -5,-2.6 2,-0.7 -6,-0.1 -1,-0.2 -0.896 37.8-146.9 -94.8 131.4 37.4 30.5 27.7 61 61 A T - 0 0 115 -2,-0.5 -9,-0.0 32,-0.1 -5,-0.0 -0.895 7.9-143.3-100.1 111.1 39.1 33.8 28.5 62 62 A I - 0 0 17 -2,-0.7 31,-0.0 1,-0.1 46,-0.0 -0.637 11.1-143.0 -72.9 129.9 42.9 33.3 28.4 63 63 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.508 74.6 67.3 -78.6 -4.4 44.2 35.6 31.2 64 64 A Y S S- 0 0 26 1,-0.0 -2,-0.1 2,-0.0 2,-0.1 -0.831 84.9-110.5-113.3 152.9 47.4 36.8 29.4 65 65 A T > - 0 0 89 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.351 34.0-109.1 -70.0 163.3 47.8 39.0 26.3 66 66 A K H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.857 120.2 56.4 -61.9 -34.7 49.0 37.4 23.0 67 67 A D H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 108.9 45.0 -63.6 -43.1 52.4 39.3 23.5 68 68 A K H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 112.3 51.8 -68.2 -43.6 52.9 37.8 27.0 69 69 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.937 109.6 51.0 -56.1 -44.8 51.9 34.3 25.7 70 70 A H H X S+ 0 0 61 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 109.2 50.2 -59.2 -43.2 54.5 34.7 22.9 71 71 A Q H X S+ 0 0 114 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.878 108.2 53.0 -62.3 -42.9 57.1 35.7 25.4 72 72 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.914 108.2 49.6 -59.4 -44.3 56.4 32.6 27.5 73 73 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.915 110.3 51.4 -62.0 -43.8 56.8 30.3 24.5 74 74 A H H X S+ 0 0 94 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.930 111.2 47.5 -55.9 -49.0 60.1 32.0 23.7 75 75 A E H X S+ 0 0 81 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.865 111.1 51.9 -61.3 -39.7 61.3 31.4 27.3 76 76 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.912 110.0 47.8 -64.6 -43.3 60.1 27.8 27.2 77 77 A V H X>S+ 0 0 9 -4,-2.6 5,-1.8 2,-0.2 4,-0.7 0.932 114.5 47.1 -60.7 -46.5 62.0 27.1 24.0 78 78 A E H ><5S+ 0 0 122 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.912 110.6 50.5 -65.0 -44.7 65.2 28.7 25.4 79 79 A K H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 115.6 42.7 -61.6 -38.5 65.1 26.9 28.8 80 80 A N H 3<5S- 0 0 36 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.514 103.1-133.0 -85.0 -7.1 64.7 23.5 27.1 81 81 A E T <<5 - 0 0 172 -3,-0.7 2,-0.3 -4,-0.7 -3,-0.2 0.864 35.8-174.5 54.3 39.4 67.3 24.3 24.4 82 82 A L < + 0 0 10 -5,-1.8 -1,-0.2 -6,-0.2 3,-0.1 -0.511 16.5 169.8 -67.3 127.5 64.9 23.0 21.8 83 83 A N + 0 0 78 -2,-0.3 -44,-3.3 1,-0.3 2,-0.5 0.843 67.8 1.6 -99.6 -71.9 66.5 22.9 18.3 84 84 A T S S+ 0 0 21 -47,-0.2 34,-2.9 -46,-0.2 2,-0.3 -0.977 104.2 64.8-125.4 119.1 64.2 20.9 16.0 85 85 A G E S-CF 36 117A 0 -49,-2.0 -49,-2.9 -2,-0.5 2,-0.3 -0.888 75.3 -71.7 168.7-140.7 60.9 19.6 17.3 86 86 A H E -CF 35 116A 31 30,-2.4 30,-1.8 -2,-0.3 2,-0.5 -0.963 18.1-129.7-149.3 160.1 57.6 21.1 18.6 87 87 A I E -CF 34 115A 0 -53,-2.6 -53,-2.3 -2,-0.3 2,-0.5 -0.960 21.6-160.5-106.7 131.3 56.0 23.0 21.5 88 88 A Y E +CF 33 114A 1 26,-3.2 26,-2.6 -2,-0.5 2,-0.3 -0.949 17.6 170.0-107.0 133.8 52.7 21.5 22.7 89 89 A F E +CF 32 113A 0 -57,-2.2 -57,-2.5 -2,-0.5 2,-0.3 -0.995 7.5 179.4-145.1 143.6 50.5 23.9 24.7 90 90 A Q E -CF 31 112A 1 22,-2.9 22,-2.1 -2,-0.3 2,-0.4 -0.941 15.0-154.0-140.9 157.4 46.9 23.7 26.0 91 91 A V E -CF 30 111A 0 -61,-2.6 -61,-2.4 -2,-0.3 2,-0.3 -1.000 13.1-170.3-129.9 130.0 44.4 25.8 28.0 92 92 A T E -CF 29 110A 0 18,-2.1 18,-1.2 -2,-0.4 -63,-0.3 -0.804 38.6-108.2-114.5 167.5 41.6 24.3 30.0 93 93 A R - 0 0 16 -65,-2.1 2,-0.2 -2,-0.3 -32,-0.1 0.756 68.6-112.7 -69.2 -20.2 38.7 26.2 31.7 94 94 A G - 0 0 0 -66,-0.3 -72,-2.9 16,-0.1 2,-0.5 -0.706 38.8 -46.8 123.2-169.6 40.2 25.5 35.1 95 95 A T B +H 21 0C 51 13,-0.5 -74,-0.2 -74,-0.3 13,-0.1 -0.855 62.0 139.9-109.4 130.2 39.6 23.5 38.2 96 96 A S - 0 0 22 -76,-1.7 3,-0.2 -2,-0.5 -2,-0.1 -0.979 61.3 -71.4-161.9 150.2 36.2 23.5 39.9 97 97 A P S S- 0 0 86 0, 0.0 -75,-0.0 0, 0.0 -77,-0.0 -0.242 75.2 -85.8 -46.7 133.8 33.9 21.0 41.6 98 98 A R S S+ 0 0 50 2,-0.0 2,-0.3 -77,-0.0 -77,-0.0 -0.233 73.0 133.8 -58.0 122.7 32.5 18.8 38.9 99 99 A A - 0 0 32 -3,-0.2 -3,-0.0 2,-0.1 335,-0.0 -0.915 54.2-128.4-158.9 147.9 29.5 20.2 37.1 100 100 A H S S+ 0 0 15 -2,-0.3 338,-0.2 2,-0.1 -1,-0.1 0.924 86.9 76.8 -66.1 -47.6 28.7 20.4 33.3 101 101 A Q S S- 0 0 60 336,-0.1 -2,-0.1 1,-0.1 334,-0.1 -0.154 100.6 -82.7 -62.4 160.6 27.8 24.1 33.2 102 102 A F - 0 0 30 332,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.323 46.0-125.0 -65.1 147.7 30.6 26.8 33.4 103 103 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.239 46.1 -63.2 -79.0 177.9 32.0 27.6 36.9 104 104 A E > - 0 0 132 1,-0.1 3,-2.8 2,-0.1 0, 0.0 -0.335 48.3-113.4 -61.2 141.9 32.1 31.1 38.3 105 105 A N T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.450 111.1 84.5 -60.5 2.0 34.4 33.6 36.4 106 106 A T T 3 S+ 0 0 128 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.543 70.1 93.7 -74.0 -12.4 36.4 33.4 39.6 107 107 A V S < S- 0 0 34 -3,-2.8 -11,-0.1 -13,-0.1 0, 0.0 -0.734 70.6-143.7 -90.5 126.1 38.0 30.2 38.1 108 108 A K - 0 0 116 -2,-0.5 -13,-0.5 -13,-0.1 -46,-0.1 -0.741 19.9-112.3 -90.7 139.1 41.3 30.7 36.3 109 109 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 -16,-0.2 -0.159 27.1-125.8 -58.7 156.3 42.2 28.6 33.2 110 110 A V E - F 0 92A 17 -18,-1.2 -18,-2.1 -16,-0.1 2,-0.5 -0.958 23.1-162.0-109.1 128.1 45.1 26.2 33.5 111 111 A I E + F 0 91A 1 -2,-0.5 -105,-2.5 -20,-0.2 2,-0.4 -0.927 9.8 179.4-113.6 127.7 47.8 26.5 30.9 112 112 A I E +BF 5 90A 1 -22,-2.1 -22,-2.9 -2,-0.5 2,-0.3 -0.996 4.8 169.4-126.7 136.1 50.3 23.7 30.2 113 113 A G E +BF 4 89A 0 -109,-1.9 -109,-3.0 -2,-0.4 2,-0.3 -0.994 2.1 160.1-144.9 141.8 53.2 23.9 27.7 114 114 A Y E - 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0 0 28 -2,-0.3 -26,-0.1 -135,-0.2 -12,-0.1 -0.551 52.4-125.9 -66.1 128.7 3.3 17.2 36.9 543 262 B G > - 0 0 7 -2,-0.3 4,-2.0 -26,-0.1 5,-0.1 -0.274 10.1-112.1 -82.7 167.4 1.1 14.5 35.4 544 263 B E H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.827 114.0 50.4 -67.6 -37.9 -0.5 11.4 36.9 545 264 B W H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.853 108.0 52.9 -69.2 -37.4 1.6 8.8 35.1 546 265 B T H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 110.5 49.4 -62.1 -44.0 4.9 10.6 36.1 547 266 B R H X S+ 0 0 87 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.905 108.9 51.5 -60.1 -43.0 3.6 10.5 39.8 548 267 B K H X S+ 0 0 86 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.906 112.4 46.4 -60.5 -42.6 2.8 6.8 39.5 549 268 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.877 110.2 52.6 -65.8 -40.2 6.3 6.1 38.1 550 269 B Q H X S+ 0 0 29 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.902 110.4 49.6 -59.4 -42.1 7.9 8.2 40.8 551 270 B K H X S+ 0 0 156 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.927 111.7 47.0 -62.1 -46.2 6.0 6.2 43.4 552 271 B Q H >< S+ 0 0 48 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.886 111.3 52.1 -62.3 -40.0 7.1 2.9 41.8 553 272 B F H >X S+ 0 0 5 -4,-2.5 3,-1.9 1,-0.2 4,-0.6 0.879 100.4 63.2 -62.3 -39.6 10.7 4.1 41.7 554 273 B E H >< S+ 0 0 73 -4,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.820 94.6 61.2 -58.3 -32.9 10.6 5.0 45.4 555 274 B T T << S+ 0 0 84 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.666 101.4 54.6 -66.9 -17.5 10.1 1.3 46.2 556 275 B K T <4 S+ 0 0 68 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.635 85.8 96.8 -92.8 -17.7 13.5 0.5 44.6 557 276 B I S << S- 0 0 12 -3,-0.7 2,-0.3 -4,-0.6 -234,-0.0 -0.407 86.3 -95.5 -80.0 149.2 15.7 2.9 46.6 558 277 B P - 0 0 21 0, 0.0 -237,-0.1 0, 0.0 -1,-0.1 -0.476 42.5-177.0 -61.3 124.6 17.7 1.8 49.7 559 278 B K + 0 0 100 -2,-0.3 2,-0.8 -4,-0.1 -240,-0.1 -0.861 14.5 171.1-128.5 95.8 15.8 2.6 52.9 560 279 B P 0 0 59 0, 0.0 -239,-0.0 0, 0.0 0, 0.0 -0.874 360.0 360.0 -94.5 95.7 17.5 1.8 56.3 561 280 B L 0 0 223 -2,-0.8 0, 0.0 0, 0.0 0, 0.0 0.933 360.0 360.0 -74.8 360.0 15.0 3.5 58.6