==== 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 13-DEC-98 5DAA . COMPND 2 MOLECULE: D-AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR D.PEISACH,D.RINGE . 554 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 22.7 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 2.2 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 . 52 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 22.7 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 4 0 2 0 0 0 0 3 3 2 1 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 5 2 7 2 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 2 0 4 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 G 0 0 71 0, 0.0 11,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 176.4 39.0 32.2 -7.6 2 2 A Y E -A 11 0A 74 9,-0.2 113,-0.5 74,-0.2 2,-0.4 -0.930 360.0-162.6-114.9 137.3 40.0 35.6 -6.2 3 3 A T E -A 10 0A 0 7,-3.5 7,-3.0 -2,-0.4 2,-0.4 -0.945 20.1-129.9-120.4 134.2 40.6 36.3 -2.5 4 4 A L E -AB 9 113A 2 109,-3.3 109,-1.7 -2,-0.4 2,-0.4 -0.714 29.8-176.8 -78.8 126.5 40.8 39.7 -0.8 5 5 A W E > -AB 8 112A 59 3,-2.4 3,-2.0 -2,-0.4 2,-1.1 -0.905 60.1 -56.3-132.7 103.6 44.0 39.7 1.2 6 6 A N T 3 S- 0 0 43 105,-2.3 106,-0.0 -2,-0.4 -2,-0.0 -0.493 125.2 -18.4 63.8 -94.9 44.5 42.8 3.3 7 7 A D T 3 S+ 0 0 68 -2,-1.1 2,-0.4 -3,-0.1 -1,-0.3 0.119 122.6 85.1-127.7 21.8 44.3 45.4 0.4 8 8 A Q E < -A 5 0A 108 -3,-2.0 -3,-2.4 -5,-0.0 2,-0.9 -0.983 64.1-144.0-130.4 131.8 44.9 43.1 -2.6 9 9 A I E +A 4 0A 29 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.839 44.0 160.1 -90.4 109.7 42.5 41.0 -4.7 10 10 A V E -A 3 0A 19 -7,-3.0 -7,-3.5 -2,-0.9 2,-0.2 -0.714 44.1 -81.7-124.3 176.1 44.8 38.0 -5.4 11 11 A K E >> -A 2 0A 95 -9,-0.3 3,-1.3 -2,-0.2 4,-0.8 -0.574 43.2-110.0 -81.0 147.0 44.3 34.3 -6.5 12 12 A D T 34 S+ 0 0 64 -11,-1.8 3,-0.2 1,-0.3 -1,-0.1 0.739 117.2 58.2 -42.3 -33.0 43.4 31.7 -3.8 13 13 A E T 34 S+ 0 0 149 -12,-0.2 -1,-0.3 1,-0.2 -11,-0.1 0.854 97.0 56.0 -69.9 -41.5 46.9 30.3 -4.4 14 14 A E T <4 S+ 0 0 115 -3,-1.3 2,-0.4 -11,-0.0 -1,-0.2 0.688 90.7 94.0 -67.8 -17.7 49.0 33.4 -3.5 15 15 A V < + 0 0 19 -4,-0.8 2,-0.4 -3,-0.2 282,-0.1 -0.609 51.3 173.4 -81.4 129.1 47.3 33.7 -0.1 16 16 A K - 0 0 98 -2,-0.4 2,-0.3 280,-0.1 280,-0.1 -0.986 19.3-147.4-144.3 130.5 49.0 32.1 2.9 17 17 A I B -G 295 0B 6 278,-1.7 278,-1.9 -2,-0.4 2,-0.4 -0.687 17.0-131.5 -93.2 143.9 48.1 32.1 6.6 18 18 A D > - 0 0 77 -2,-0.3 3,-1.8 276,-0.2 6,-0.2 -0.774 15.8-127.3 -96.1 144.5 50.8 32.0 9.4 19 19 A K T 3 S+ 0 0 16 -2,-0.4 -1,-0.1 1,-0.3 275,-0.0 0.664 109.3 56.0 -62.3 -22.7 50.4 29.6 12.3 20 20 A E T 3 S+ 0 0 38 4,-0.1 76,-1.7 5,-0.0 2,-0.6 0.068 72.1 134.7 -98.6 24.6 50.8 32.4 14.8 21 21 A D B X> -H 95 0C 1 -3,-1.8 3,-2.7 74,-0.2 4,-1.6 -0.660 60.7-134.7 -72.4 115.1 48.0 34.3 13.3 22 22 A R H 3>>S+ 0 0 1 72,-3.1 4,-2.5 -2,-0.6 6,-1.5 0.715 104.3 57.3 -46.6 -28.6 46.1 35.4 16.5 23 23 A G H 345S+ 0 0 1 71,-0.3 -1,-0.3 4,-0.3 4,-0.2 0.745 107.1 49.7 -75.6 -22.7 42.8 34.4 14.9 24 24 A Y H <45S+ 0 0 1 -3,-2.7 -2,-0.2 -6,-0.2 -1,-0.2 0.876 122.5 29.8 -81.5 -39.7 44.1 30.9 14.4 25 25 A Q H <5S+ 0 0 0 -4,-1.6 -2,-0.2 3,-0.1 -3,-0.2 0.780 138.6 16.4 -92.1 -31.1 45.4 30.4 17.9 26 26 A F T <5S- 0 0 0 -4,-2.5 401,-0.3 -5,-0.2 -3,-0.2 0.461 92.5-116.5-122.2 -6.1 42.9 32.6 20.0 27 27 A G < + 0 0 2 -5,-0.6 2,-1.6 1,-0.2 120,-0.8 0.822 56.3 165.3 69.3 27.8 40.0 33.3 17.7 28 28 A D + 0 0 0 -6,-1.5 65,-1.9 119,-0.1 66,-0.3 -0.601 37.1 64.8 -83.2 82.5 41.1 36.9 18.1 29 29 A G E -C 92 0A 0 -2,-1.6 118,-1.5 63,-0.3 63,-0.3 -0.950 65.5-121.3 175.6 167.4 39.1 38.6 15.3 30 30 A V E -CD 91 146A 0 61,-2.1 61,-2.7 -2,-0.3 2,-0.3 -0.760 23.3-175.0-122.7 169.6 35.7 39.5 13.9 31 31 A Y E -C 90 0A 15 114,-2.0 2,-0.3 59,-0.2 59,-0.2 -0.884 12.0-157.3-152.5-178.8 33.7 38.8 10.7 32 32 A E E -C 89 0A 0 57,-1.9 57,-1.6 -2,-0.3 2,-0.3 -0.949 9.4-148.1-157.3 166.3 30.6 39.5 8.5 33 33 A V E -C 88 0A 18 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.906 15.9-168.7-148.1 111.7 28.7 37.7 5.8 34 34 A V E -C 87 0A 0 53,-2.1 53,-2.5 -2,-0.3 2,-0.4 -0.751 15.9-131.6-102.7 151.5 26.9 39.7 3.1 35 35 A K E -C 86 0A 0 7,-0.5 7,-2.9 -2,-0.3 2,-0.5 -0.823 12.0-152.1-103.4 142.1 24.4 38.4 0.5 36 36 A V E -CE 85 41A 0 49,-2.5 49,-1.6 -2,-0.4 2,-0.6 -0.975 5.9-167.1-117.7 122.3 24.6 39.2 -3.2 37 37 A Y E > S- E 0 40A 7 3,-3.6 3,-1.3 -2,-0.5 47,-0.2 -0.921 75.7 -28.5-110.6 102.6 21.4 39.2 -5.2 38 38 A N T 3 S- 0 0 108 -2,-0.6 46,-0.2 1,-0.3 -1,-0.2 0.962 127.5 -42.9 55.5 58.1 22.1 39.3 -9.0 39 39 A G T 3 S+ 0 0 32 44,-2.7 2,-0.5 1,-0.2 -1,-0.3 0.306 119.3 112.8 74.8 -13.1 25.5 41.1 -8.7 40 40 A E E < -E 37 0A 118 -3,-1.3 -3,-3.6 43,-0.2 2,-0.3 -0.849 63.8-136.1-101.1 127.2 24.0 43.5 -6.1 41 41 A M E -E 36 0A 28 -2,-0.5 2,-0.4 -5,-0.3 3,-0.4 -0.597 19.8-133.8 -77.7 133.8 25.1 43.4 -2.5 42 42 A F S S- 0 0 18 -7,-2.9 -7,-0.5 -2,-0.3 234,-0.1 -0.771 74.8 -18.3 -95.1 133.4 22.3 43.6 0.1 43 43 A T S > S+ 0 0 35 -2,-0.4 4,-1.3 1,-0.1 -1,-0.2 0.804 79.4 160.3 38.8 49.7 22.6 46.1 3.0 44 44 A V H > + 0 0 15 -3,-0.4 4,-1.9 1,-0.2 5,-0.2 0.807 66.2 53.9 -68.0 -33.7 26.4 46.4 2.6 45 45 A N H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 107.2 52.7 -68.6 -38.3 26.9 49.7 4.5 46 46 A E H > S+ 0 0 91 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.873 110.2 47.8 -62.9 -41.0 25.1 48.2 7.5 47 47 A H H X S+ 0 0 1 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.867 109.9 51.0 -70.0 -39.0 27.4 45.2 7.5 48 48 A I H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.805 108.0 54.1 -69.0 -30.8 30.7 47.3 7.2 49 49 A D H X S+ 0 0 76 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.787 109.6 47.4 -73.1 -29.3 29.5 49.5 10.1 50 50 A R H X S+ 0 0 29 -4,-1.0 4,-2.4 2,-0.2 95,-0.2 0.696 108.3 55.2 -83.0 -23.9 29.1 46.4 12.3 51 51 A L H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.970 112.6 41.4 -71.0 -52.8 32.5 45.0 11.3 52 52 A Y H X S+ 0 0 39 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.853 116.3 51.7 -60.4 -34.9 34.2 48.2 12.4 53 53 A A H X S+ 0 0 38 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.934 110.9 46.5 -67.7 -46.2 32.0 48.2 15.5 54 54 A S H < S+ 0 0 3 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.836 112.4 50.4 -65.8 -33.6 32.9 44.6 16.3 55 55 A A H ><>S+ 0 0 1 -4,-2.4 5,-2.2 1,-0.2 3,-1.4 0.923 107.1 54.8 -69.0 -42.8 36.6 45.3 15.8 56 56 A E H ><5S+ 0 0 149 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.747 99.3 61.7 -61.2 -29.5 36.4 48.4 18.1 57 57 A K T 3<5S+ 0 0 94 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.672 113.5 35.0 -72.6 -20.5 34.9 46.3 20.9 58 58 A I T < 5S- 0 0 3 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.109 120.2-108.0-117.2 14.7 38.1 44.1 21.0 59 59 A R T < 5 + 0 0 136 -3,-0.7 2,-0.5 1,-0.2 -3,-0.2 0.874 64.3 150.2 61.0 46.0 40.4 47.0 20.1 60 60 A I < - 0 0 11 -5,-2.2 2,-0.8 -8,-0.1 -1,-0.2 -0.925 35.5-148.3-107.8 129.9 41.4 46.2 16.5 61 61 A T - 0 0 118 -2,-0.5 -9,-0.0 32,-0.1 -5,-0.0 -0.860 7.4-146.4-104.0 104.5 42.2 49.1 14.3 62 62 A I - 0 0 18 -2,-0.8 46,-0.0 1,-0.1 29,-0.0 -0.567 10.0-143.9 -69.1 123.4 41.2 48.4 10.6 63 63 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.551 74.9 66.6 -65.8 -13.4 43.8 50.2 8.5 64 64 A Y S S- 0 0 41 1,-0.1 2,-0.1 2,-0.0 -2,-0.1 -0.742 83.4-112.2-111.7 161.8 41.4 51.3 5.7 65 65 A T > - 0 0 96 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.396 37.0-103.0 -83.2 165.1 38.4 53.6 5.7 66 66 A K H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.731 123.2 53.8 -62.6 -17.7 34.9 52.3 5.2 67 67 A D H > S+ 0 0 124 2,-0.2 4,-3.3 3,-0.2 -1,-0.2 0.917 105.0 48.8 -79.8 -48.6 35.1 53.5 1.6 68 68 A K H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.826 115.3 48.3 -60.0 -32.6 38.3 51.7 0.7 69 69 A F H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.933 111.2 48.2 -72.9 -49.3 36.7 48.6 2.2 70 70 A H H X S+ 0 0 62 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.951 113.0 48.9 -54.6 -51.0 33.4 49.2 0.3 71 71 A Q H X S+ 0 0 99 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.897 111.3 49.4 -54.8 -49.1 35.4 49.7 -3.0 72 72 A L H X S+ 0 0 5 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.885 107.8 53.6 -59.3 -44.6 37.4 46.5 -2.4 73 73 A L H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.861 108.3 51.0 -59.2 -38.2 34.3 44.4 -1.7 74 74 A H H X S+ 0 0 87 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.881 107.4 51.6 -68.3 -40.5 32.8 45.6 -5.0 75 75 A E H X S+ 0 0 75 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.905 107.8 54.3 -61.7 -41.1 36.0 44.6 -7.0 76 76 A L H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.792 104.7 53.7 -62.6 -34.3 35.8 41.2 -5.4 77 77 A V H <>S+ 0 0 6 -4,-1.1 5,-2.1 -3,-0.2 4,-0.3 0.896 114.6 40.9 -69.4 -39.6 32.2 40.7 -6.6 78 78 A E H ><5S+ 0 0 124 -4,-1.6 3,-0.6 3,-0.2 -2,-0.2 0.922 109.5 55.1 -74.5 -48.7 33.2 41.5 -10.2 79 79 A K H 3<5S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.805 118.2 37.7 -55.2 -33.3 36.5 39.6 -10.4 80 80 A N T 3<5S- 0 0 35 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.535 103.9-136.3 -94.6 -10.1 34.6 36.5 -9.3 81 81 A E T < 5 - 0 0 169 -3,-0.6 2,-0.4 -4,-0.3 -3,-0.2 0.891 31.4-170.4 53.7 42.5 31.6 37.5 -11.3 82 82 A L < + 0 0 9 -5,-2.1 -1,-0.2 -6,-0.2 -43,-0.2 -0.524 16.3 173.8 -69.3 121.1 29.4 36.5 -8.4 83 83 A N - 0 0 81 -2,-0.4 -44,-2.7 1,-0.2 2,-0.5 0.886 68.2 -1.9 -89.7 -79.7 25.7 36.5 -9.4 84 84 A T S S+ 0 0 25 -47,-0.2 34,-1.6 -46,-0.2 -1,-0.2 -0.955 104.4 69.7-122.7 113.8 23.7 35.1 -6.4 85 85 A G E S-CF 36 117A 0 -49,-1.6 -49,-2.5 -2,-0.5 2,-0.3 -0.758 72.7 -77.7-178.6-132.3 25.5 34.0 -3.3 86 86 A H E -CF 35 116A 31 30,-2.0 30,-1.2 -51,-0.3 2,-0.4 -0.992 17.2-126.8-158.1 164.3 27.5 35.7 -0.6 87 87 A I E -CF 34 115A 0 -53,-2.5 -53,-2.1 -2,-0.3 2,-0.5 -0.938 18.5-163.1-114.8 134.8 30.7 37.4 0.6 88 88 A Y E +CF 33 114A 2 26,-2.8 26,-2.6 -2,-0.4 2,-0.3 -0.984 16.2 169.4-119.0 126.0 32.6 36.3 3.7 89 89 A F E +CF 32 113A 0 -57,-1.6 -57,-1.9 -2,-0.5 2,-0.3 -0.974 4.8 176.6-136.7 149.3 35.1 38.6 5.2 90 90 A Q E -CF 31 112A 1 22,-2.7 22,-2.0 -2,-0.3 2,-0.4 -0.992 17.0-150.6-149.8 158.6 37.1 38.7 8.4 91 91 A V E -CF 30 111A 0 -61,-2.7 -61,-2.1 -2,-0.3 2,-0.3 -0.997 11.4-173.3-135.2 129.3 39.8 40.6 10.4 92 92 A T E -CF 29 110A 0 18,-1.6 18,-0.7 -2,-0.4 -63,-0.3 -0.791 40.6-108.4-114.8 162.1 42.2 39.1 13.0 93 93 A R - 0 0 17 -65,-1.9 2,-0.3 -2,-0.3 -32,-0.1 0.813 67.9-113.9 -62.2 -27.9 44.6 41.1 15.2 94 94 A G - 0 0 0 -66,-0.3 -72,-3.1 15,-0.2 2,-0.5 -0.877 40.6 -41.8 131.6-164.0 47.5 39.8 13.1 95 95 A T B +H 21 0C 54 13,-0.5 -74,-0.2 -2,-0.3 13,-0.1 -0.935 62.7 139.7-111.3 125.9 50.5 37.5 13.4 96 96 A S - 0 0 20 -76,-1.7 3,-0.2 -2,-0.5 -2,-0.1 -0.969 59.6 -76.5-158.3 149.2 52.7 37.7 16.5 97 97 A P S S- 0 0 82 0, 0.0 -75,-0.0 0, 0.0 -77,-0.0 -0.228 73.5 -74.5 -51.9 142.6 54.5 35.1 18.7 98 98 A R S S+ 0 0 57 2,-0.0 2,-0.3 -77,-0.0 -77,-0.0 -0.128 75.6 131.2 -49.9 120.3 52.1 33.3 21.1 99 99 A A - 0 0 31 -3,-0.2 -3,-0.0 1,-0.1 332,-0.0 -0.879 52.7-134.1-168.8 134.8 50.8 35.3 24.1 100 100 A H S S+ 0 0 17 -2,-0.3 335,-0.2 2,-0.1 2,-0.1 0.859 85.9 73.5 -63.4 -40.3 47.3 36.0 25.4 101 101 A Q S S- 0 0 53 333,-0.2 331,-0.1 1,-0.1 -2,-0.1 -0.392 101.0 -82.9 -75.3 155.6 47.8 39.8 25.9 102 102 A F - 0 0 26 329,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.145 41.7-134.5 -56.2 149.3 47.8 42.1 22.9 103 103 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.237 45.7 -58.8 -81.0-146.6 51.1 42.5 21.0 104 104 A E > - 0 0 149 1,-0.1 3,-0.8 0, 0.0 0, 0.0 -0.560 45.6-105.4 -98.4 165.0 52.4 46.0 19.9 105 105 A N T 3 S+ 0 0 174 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.257 111.0 79.8 -71.2 13.7 50.7 48.6 17.7 106 106 A T T 3 + 0 0 93 2,-0.1 -1,-0.2 0, 0.0 2,-0.0 0.908 68.4 89.9 -84.8 -49.8 53.3 47.4 15.1 107 107 A V S < S- 0 0 44 -3,-0.8 -11,-0.1 1,-0.1 0, 0.0 -0.230 72.0-137.6 -58.3 123.5 51.5 44.2 14.0 108 108 A K - 0 0 160 -13,-0.1 -13,-0.5 1,-0.1 2,-0.1 -0.607 22.4-111.5 -81.8 142.3 49.1 44.7 11.0 109 109 A P - 0 0 17 0, 0.0 2,-0.6 0, 0.0 -16,-0.2 -0.474 29.3-122.7 -72.3 143.1 45.7 43.0 11.1 110 110 A V E - F 0 92A 19 -18,-0.7 -18,-1.6 -2,-0.1 2,-0.5 -0.809 26.3-160.2 -92.5 123.0 45.2 40.2 8.6 111 111 A I E + F 0 91A 1 -2,-0.6 -105,-2.3 -20,-0.2 2,-0.4 -0.890 12.6 175.8-108.5 130.6 42.2 40.7 6.3 112 112 A I E +BF 5 90A 1 -22,-2.0 -22,-2.7 -2,-0.5 2,-0.3 -0.992 3.9 164.8-132.2 138.7 40.6 37.9 4.3 113 113 A G E +BF 4 89A 0 -109,-1.7 -109,-3.3 -2,-0.4 2,-0.3 -0.949 3.8 162.0-156.6 133.3 37.5 38.0 2.1 114 114 A Y E - 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0 0 27 -2,-0.3 -26,-0.1 -135,-0.2 -12,-0.1 -0.405 51.9-124.0 -59.6 121.0 55.4 34.4 49.8 540 262 B G > - 0 0 3 -2,-0.2 4,-1.8 1,-0.1 -1,-0.1 -0.152 8.3-117.4 -67.9 166.4 54.0 32.1 52.5 541 263 B E H > S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.801 112.9 51.4 -73.1 -34.0 55.8 29.1 54.1 542 264 B W H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 107.9 53.1 -71.8 -34.8 53.3 26.5 52.8 543 265 B T H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.978 108.7 50.7 -60.5 -51.7 53.6 27.8 49.3 544 266 B R H X S+ 0 0 95 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.822 108.2 51.7 -52.4 -41.9 57.4 27.4 49.6 545 267 B K H X S+ 0 0 91 -4,-1.6 4,-2.4 2,-0.2 -1,-0.3 0.904 112.0 46.6 -64.6 -41.9 57.0 23.8 50.8 546 268 B L H X S+ 0 0 0 -4,-2.2 4,-3.0 -3,-0.3 -2,-0.2 0.920 113.7 47.9 -66.4 -42.9 54.8 23.1 47.8 547 269 B Q H X S+ 0 0 26 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.824 114.0 48.7 -64.5 -34.0 57.3 24.8 45.5 548 270 B K H X S+ 0 0 158 -4,-2.2 4,-0.6 -5,-0.3 -2,-0.2 0.858 114.0 44.8 -73.5 -37.3 60.1 22.8 47.2 549 271 B Q H >< S+ 0 0 43 -4,-2.4 3,-0.9 2,-0.2 4,-0.5 0.906 112.2 52.2 -71.9 -42.6 58.1 19.5 46.9 550 272 B F H >X S+ 0 0 5 -4,-3.0 3,-2.3 1,-0.2 4,-0.6 0.913 100.3 63.0 -57.4 -47.3 57.2 20.3 43.2 551 273 B E H >< S+ 0 0 92 -4,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.746 93.7 62.7 -50.0 -32.4 60.9 20.9 42.4 552 274 B T T << S+ 0 0 94 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.735 100.3 53.4 -70.0 -21.8 61.7 17.3 43.2 553 275 B K T <4 S+ 0 0 82 -3,-2.3 -1,-0.2 -4,-0.5 -2,-0.2 0.625 90.0 95.3 -88.1 -13.6 59.5 16.1 40.4 554 276 B I << 0 0 22 -3,-0.6 -234,-0.0 -4,-0.6 -3,-0.0 -0.512 360.0 360.0 -79.8 141.7 61.2 18.3 37.8 555 277 B P 0 0 78 0, 0.0 -237,-0.1 0, 0.0 -1,-0.1 -0.428 360.0 360.0 -72.2 360.0 64.0 16.8 35.5