==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 21-APR-08 3CWA . COMPND 2 MOLECULE: DNA-3-METHYLADENINE GLYCOSYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.R.BOWMAN,S.LEE,S.WANG,G.L.VERDINE . 1128 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 751 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 37 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 3 5 6 0 11 6 5 9 1 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 5 4 0 4 4 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 . 4 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 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 M 0 0 174 0, 0.0 61,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -78.6 29.4 1.4 69.4 2 2 A Y E -A 61 0A 40 59,-2.6 59,-2.4 69,-0.0 2,-0.4 -0.414 360.0-150.2 -73.6 159.6 29.5 -1.9 67.5 3 3 A T E -A 60 0A 62 57,-0.2 2,-0.3 -2,-0.1 57,-0.2 -0.981 16.5-177.3-143.1 130.6 33.0 -3.2 66.6 4 4 A L E -A 59 0A 4 55,-2.6 55,-3.1 -2,-0.4 2,-0.2 -0.927 18.6-133.0-123.0 147.6 34.4 -5.3 63.8 5 5 A N E -A 58 0A 85 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.508 16.7-173.2 -96.2 165.8 38.0 -6.5 63.1 6 6 A W - 0 0 20 51,-1.4 79,-0.1 -2,-0.2 78,-0.1 -0.968 27.3-112.5-149.7 158.8 40.2 -6.6 60.0 7 7 A Q - 0 0 69 79,-0.5 50,-0.0 77,-0.4 51,-0.0 -0.858 52.7 -80.5-100.9 127.4 43.6 -8.0 59.2 8 8 A P S S+ 0 0 62 0, 0.0 81,-0.3 0, 0.0 2,-0.1 -0.313 97.5 53.3 -65.4 151.2 46.5 -5.6 58.6 9 9 A P + 0 0 59 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.567 60.7 161.7 -89.3 160.4 47.4 -4.0 56.4 10 10 A Y - 0 0 20 -2,-0.1 2,-1.7 -4,-0.1 95,-0.2 -0.949 31.4-146.5-141.6 115.6 44.5 -1.9 55.4 11 11 A D > + 0 0 45 93,-2.1 4,-2.0 -2,-0.4 95,-0.2 -0.594 25.5 171.5 -83.8 79.7 44.9 1.3 53.3 12 12 A W H > S+ 0 0 12 -2,-1.7 4,-2.4 1,-0.2 5,-0.2 0.745 74.0 56.1 -61.7 -27.6 42.1 3.3 54.8 13 13 A S H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 107.8 48.5 -72.5 -40.7 43.1 6.5 53.0 14 14 A W H > S+ 0 0 14 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.935 115.4 45.0 -60.4 -48.9 43.0 4.8 49.6 15 15 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.934 114.5 46.2 -61.5 -51.5 39.5 3.4 50.4 16 16 A L H X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.909 113.5 50.8 -60.5 -39.9 38.0 6.6 51.9 17 17 A G H X S+ 0 0 40 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.917 109.2 51.2 -62.8 -42.4 39.5 8.5 48.9 18 18 A F H X S+ 0 0 5 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.918 113.8 43.4 -61.5 -43.8 37.9 6.0 46.5 19 19 A L H >X S+ 0 0 8 -4,-2.5 4,-1.4 1,-0.2 3,-0.8 0.900 109.5 57.8 -69.1 -40.3 34.5 6.3 48.2 20 20 A A H 3< S+ 0 0 51 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.882 100.8 56.5 -57.0 -41.3 34.8 10.1 48.4 21 21 A A H 3< S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 111,-0.2 0.796 118.8 32.2 -63.7 -27.0 35.2 10.4 44.6 22 22 A R H << S+ 0 0 33 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.483 89.0 135.9-107.7 -5.9 32.0 8.6 44.0 23 23 A A < - 0 0 25 -4,-1.4 2,-0.6 -3,-0.3 113,-0.1 -0.030 50.1-132.3 -46.7 140.3 30.1 9.8 47.1 24 24 A V >> - 0 0 1 111,-0.1 4,-2.8 112,-0.0 3,-1.7 -0.884 22.4-111.9-106.9 124.5 26.5 10.9 46.5 25 25 A S T 34 S+ 0 0 74 -2,-0.6 4,-0.1 1,-0.3 115,-0.1 -0.246 100.0 8.2 -54.3 127.5 25.4 14.3 48.0 26 26 A S T 34 S+ 0 0 45 2,-0.4 127,-2.5 1,-0.1 -1,-0.3 0.093 126.3 66.3 85.4 -20.4 22.8 13.9 50.8 27 27 A V T <4 S+ 0 0 0 -3,-1.7 11,-1.8 1,-0.2 2,-0.3 0.892 105.3 20.6 -95.1 -54.2 23.4 10.2 50.8 28 28 A E E < -B 37 0A 13 -4,-2.8 -2,-0.4 9,-0.2 2,-0.4 -0.809 54.5-159.7-118.9 159.2 27.0 9.7 52.0 29 29 A T E -B 36 0A 51 7,-3.2 7,-2.1 -2,-0.3 2,-0.4 -0.966 14.6-170.3-136.9 117.2 29.5 11.8 53.9 30 30 A V E +B 35 0A 38 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.931 11.1 163.9-116.2 133.4 33.2 10.9 53.6 31 31 A A - 0 0 31 3,-2.8 -11,-0.1 -2,-0.4 -2,-0.0 -0.736 51.4 -96.9-131.9 178.7 36.1 12.3 55.7 32 32 A D S S+ 0 0 136 -2,-0.2 -16,-0.1 1,-0.2 -15,-0.1 0.696 122.6 30.5 -76.0 -18.1 39.7 11.2 56.3 33 33 A S S S+ 0 0 64 1,-0.2 2,-0.3 -17,-0.1 -1,-0.2 0.504 124.6 21.8-116.9 -8.6 38.8 9.4 59.5 34 34 A Y - 0 0 84 17,-0.2 -3,-2.8 2,-0.0 2,-0.4 -0.989 51.1-145.3-156.5 167.6 35.3 8.2 58.9 35 35 A Y E +BC 30 50A 4 15,-2.2 15,-3.8 -2,-0.3 2,-0.3 -0.978 22.5 173.7-132.2 141.1 32.4 7.3 56.6 36 36 A A E +BC 29 49A 2 -7,-2.1 -7,-3.2 -2,-0.4 2,-0.3 -0.994 5.5 152.6-150.5 145.8 28.7 7.9 57.2 37 37 A R E -BC 28 48A 10 11,-2.2 11,-2.8 -2,-0.3 -9,-0.2 -0.989 44.2 -85.7-164.4 168.9 25.6 7.5 55.2 38 38 A S E - C 0 47A 0 -11,-1.8 2,-0.3 115,-0.3 9,-0.2 -0.361 43.8-169.1 -74.4 160.8 21.8 6.9 55.1 39 39 A L E - C 0 46A 7 7,-1.6 7,-1.4 -2,-0.1 2,-0.5 -0.914 13.4-164.7-160.4 128.6 20.8 3.3 55.1 40 40 A A E + C 0 45A 40 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.964 8.0 177.2-118.6 128.4 17.5 1.5 54.6 41 41 A V E > S- C 0 44A 21 3,-2.2 3,-1.7 -2,-0.5 2,-0.3 -0.878 71.7 -55.5-127.3 95.0 16.9 -2.2 55.6 42 42 A G T 3 S- 0 0 58 -2,-0.5 1007,-0.0 1,-0.3 -1,-0.0 -0.544 119.7 -20.5 71.7-129.3 13.3 -2.9 54.8 43 43 A E T 3 S+ 0 0 156 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.285 118.4 101.7 -94.7 9.4 11.1 -0.3 56.5 44 44 A Y E < +C 41 0A 66 -3,-1.7 -3,-2.2 23,-0.1 2,-0.3 -0.772 52.3 179.3 -94.3 138.9 13.9 0.4 59.0 45 45 A R E +C 40 0A 60 21,-0.4 2,-0.3 -2,-0.4 -5,-0.2 -0.988 14.4 106.7-144.5 151.5 15.9 3.6 58.4 46 46 A G E -C 39 0A 3 -7,-1.4 -7,-1.6 -2,-0.3 2,-0.4 -0.976 55.9 -64.6 175.6-161.5 18.8 5.6 59.8 47 47 A V E -C 38 0A 11 -2,-0.3 17,-2.0 -9,-0.2 2,-0.4 -0.966 32.1-157.8-122.5 136.1 22.4 6.7 59.6 48 48 A V E -CD 37 63A 2 -11,-2.8 -11,-2.2 -2,-0.4 2,-0.5 -0.926 5.3-166.3-112.3 137.8 25.4 4.5 59.9 49 49 A T E -CD 36 62A 33 13,-2.0 13,-2.2 -2,-0.4 2,-0.5 -0.978 3.0-162.0-128.7 117.6 28.8 6.0 60.9 50 50 A A E -CD 35 61A 2 -15,-3.8 -15,-2.2 -2,-0.5 11,-0.2 -0.878 8.6-178.6-104.0 123.6 32.0 3.9 60.3 51 51 A I E - D 0 60A 79 9,-2.9 9,-2.8 -2,-0.5 -17,-0.2 -0.932 15.5-146.9-125.0 107.9 35.1 5.0 62.2 52 52 A P E - D 0 59A 21 0, 0.0 2,-0.5 0, 0.0 7,-0.2 -0.402 2.6-156.1 -74.3 150.8 38.3 3.0 61.7 53 53 A D E >> - D 0 58A 32 5,-2.9 5,-1.8 1,-0.2 4,-0.5 -0.912 9.0-173.3-127.7 98.3 40.8 2.5 64.5 54 54 A I T >45S+ 0 0 108 -2,-0.5 3,-1.2 1,-0.2 -1,-0.2 0.919 79.9 51.2 -59.2 -53.8 44.2 1.9 63.0 55 55 A A T 345S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.830 120.4 37.2 -56.6 -33.3 46.3 1.0 66.0 56 56 A R T 345S- 0 0 156 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.427 101.5-132.6-100.5 1.6 43.7 -1.5 67.1 57 57 A H T <<5 + 0 0 82 -3,-1.2 -51,-1.4 -4,-0.5 2,-0.3 0.918 65.6 122.4 39.6 58.5 42.8 -2.8 63.5 58 58 A T E < -AD 5 53A 9 -5,-1.8 -5,-2.9 -53,-0.2 2,-0.5 -0.943 56.9-139.0-141.5 155.6 39.1 -2.5 64.3 59 59 A L E -AD 4 52A 0 -55,-3.1 -55,-2.6 -2,-0.3 2,-0.5 -0.985 14.7-150.1-123.1 122.1 36.2 -0.6 62.8 60 60 A H E -AD 3 51A 59 -9,-2.8 -9,-2.9 -2,-0.5 2,-0.5 -0.788 12.9-164.2 -92.9 129.5 33.7 1.0 65.1 61 61 A I E -AD 2 50A 1 -59,-2.4 -59,-2.6 -2,-0.5 2,-0.4 -0.960 4.2-168.5-117.7 130.3 30.1 1.3 63.7 62 62 A N E - D 0 49A 74 -13,-2.2 -13,-2.0 -2,-0.5 2,-0.4 -0.938 5.0-160.8-115.7 140.4 27.4 3.5 65.2 63 63 A L E - D 0 48A 9 -2,-0.4 -15,-0.2 -15,-0.2 5,-0.1 -0.957 19.9-123.5-122.7 136.0 23.7 3.2 64.2 64 64 A S > - 0 0 15 -17,-2.0 3,-2.5 -2,-0.4 4,-0.4 -0.438 45.2 -97.2 -68.8 152.9 21.0 5.8 64.7 65 65 A A G > S+ 0 0 79 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.693 119.0 66.0 -44.0 -32.7 18.1 4.4 66.7 66 66 A G G 3 S+ 0 0 32 1,-0.2 -21,-0.4 2,-0.1 -1,-0.3 0.673 102.0 48.2 -70.2 -13.9 16.0 3.5 63.7 67 67 A L G X S+ 0 0 0 -3,-2.5 3,-1.1 -23,-0.1 7,-0.2 0.507 82.8 94.6-101.8 -7.1 18.5 0.9 62.5 68 68 A E G X S+ 0 0 65 -3,-0.8 3,-1.7 -4,-0.4 4,-0.2 0.836 75.9 61.5 -54.9 -39.3 19.0 -0.9 65.9 69 69 A P G 3 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.846 116.1 33.7 -60.4 -28.9 16.3 -3.6 65.2 70 70 A V G X> S+ 0 0 17 -3,-1.1 4,-1.9 1,-0.2 3,-0.7 -0.195 79.4 137.8-116.6 40.6 18.4 -4.8 62.2 71 71 A A H <> + 0 0 6 -3,-1.7 4,-2.4 1,-0.2 3,-0.4 0.939 68.8 51.8 -48.9 -59.1 21.8 -4.0 63.7 72 72 A A H 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 853,-0.4 0.752 107.5 52.5 -54.1 -30.8 23.5 -7.2 62.5 73 73 A E H <> S+ 0 0 28 -3,-0.7 4,-2.5 2,-0.2 -1,-0.3 0.910 108.6 50.9 -73.7 -40.4 22.4 -6.7 58.9 74 74 A C H X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.4 -2,-0.2 0.945 110.7 49.0 -59.3 -46.5 23.8 -3.1 58.9 75 75 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.909 110.4 51.5 -57.6 -44.5 27.1 -4.5 60.2 76 76 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 845,-0.4 -1,-0.2 0.882 110.0 48.5 -61.7 -40.1 27.1 -7.2 57.5 77 77 A K H X S+ 0 0 19 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.889 111.3 51.5 -68.2 -36.2 26.5 -4.5 54.8 78 78 A M H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 107.4 51.3 -67.6 -41.3 29.3 -2.5 56.3 79 79 A S H X>S+ 0 0 15 -4,-2.6 5,-1.7 1,-0.2 4,-0.5 0.780 110.0 50.3 -68.6 -24.8 31.8 -5.3 56.2 80 80 A R H <5S+ 0 0 54 -4,-1.3 3,-0.5 2,-0.2 29,-0.3 0.886 108.9 52.0 -78.0 -37.7 30.9 -6.0 52.6 81 81 A L H <5S+ 0 0 6 -4,-2.0 28,-2.4 1,-0.2 -2,-0.2 0.935 118.8 36.3 -61.3 -44.6 31.5 -2.4 51.7 82 82 A F H <5S- 0 0 1 -4,-2.3 -1,-0.2 26,-0.2 -2,-0.2 0.385 101.6-127.4 -94.3 3.0 34.9 -2.4 53.4 83 83 A D T ><5 + 0 0 2 -4,-0.5 3,-1.3 -3,-0.5 -3,-0.2 0.907 42.3 167.4 54.2 46.1 36.0 -5.9 52.5 84 84 A L T 3 < + 0 0 11 -5,-1.7 -77,-0.4 1,-0.2 -1,-0.1 0.709 67.6 68.6 -63.4 -19.3 36.8 -6.7 56.1 85 85 A Q T 3 S+ 0 0 41 -6,-0.4 -1,-0.2 -79,-0.1 834,-0.1 0.763 74.5 115.3 -71.3 -27.0 37.1 -10.4 55.0 86 86 A C < - 0 0 3 -3,-1.3 -79,-0.5 1,-0.1 3,-0.1 -0.093 52.1-157.3 -53.0 135.7 40.3 -9.8 53.0 87 87 A N >> - 0 0 38 1,-0.2 4,-1.7 -81,-0.1 3,-0.6 -0.934 6.9-164.4-109.2 100.4 43.5 -11.5 54.0 88 88 A P H 3> S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.882 84.3 62.7 -58.4 -33.2 46.1 -9.2 52.4 89 89 A Q H 3> S+ 0 0 129 -81,-0.3 4,-1.8 1,-0.2 5,-0.1 0.900 105.1 46.6 -57.3 -41.8 48.8 -11.8 52.8 90 90 A I H <4 S+ 0 0 90 -3,-0.6 4,-0.3 2,-0.2 -1,-0.2 0.957 118.4 39.7 -65.5 -50.9 47.0 -14.3 50.6 91 91 A V H >X S+ 0 0 8 -4,-1.7 4,-2.6 1,-0.2 3,-1.2 0.935 117.4 46.9 -65.6 -50.2 46.2 -11.8 47.8 92 92 A N H 3X S+ 0 0 33 -4,-3.2 4,-1.8 1,-0.3 7,-0.2 0.899 108.2 55.5 -61.7 -40.0 49.5 -10.0 47.9 93 93 A G H 3< S+ 0 0 69 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.630 114.3 43.9 -67.8 -9.4 51.5 -13.2 47.9 94 94 A A H <4 S+ 0 0 57 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.821 114.9 43.1 -99.9 -43.7 49.6 -14.1 44.8 95 95 A L H >< S- 0 0 10 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.616 86.6-178.8 -78.8 -14.0 49.7 -10.8 42.8 96 96 A G T >X + 0 0 37 -4,-1.8 3,-1.6 -5,-0.3 4,-1.1 -0.222 63.9 8.6 54.2-131.6 53.3 -10.3 43.7 97 97 A R H >> S+ 0 0 217 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.832 120.2 68.1 -47.1 -47.6 54.8 -7.1 42.3 98 98 A L H <4 S+ 0 0 18 -3,-1.2 -1,-0.3 1,-0.2 3,-0.2 0.799 112.3 31.9 -47.5 -35.1 51.5 -5.7 41.1 99 99 A G H X4 S+ 0 0 0 -3,-1.6 3,-1.2 -7,-0.2 -1,-0.2 0.610 89.5 94.7-101.3 -14.1 50.4 -5.2 44.7 100 100 A A H << S+ 0 0 61 -4,-1.1 -1,-0.1 -3,-0.6 -2,-0.1 0.751 84.0 57.4 -48.8 -29.0 53.6 -4.6 46.5 101 101 A A T 3< S+ 0 0 86 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.836 122.4 18.7 -75.7 -34.4 53.0 -0.8 46.2 102 102 A R X + 0 0 87 -3,-1.2 3,-2.5 -4,-0.2 -1,-0.2 -0.427 67.3 164.6-135.8 62.7 49.6 -0.7 48.0 103 103 A P T 3 S+ 0 0 50 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 0.585 75.1 63.6 -54.8 -12.7 49.3 -3.9 50.0 104 104 A G T 3 S+ 0 0 5 -94,-0.1 -93,-2.1 -5,-0.1 -5,-0.0 0.372 73.9 133.3 -94.5 4.8 46.5 -2.4 52.0 105 105 A L < - 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0 0 35 -2,-0.7 4,-2.5 -3,-0.1 5,-0.2 -0.370 55.5 -77.9-107.1-170.2 21.2 -20.8 8.3 500 217 B R H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.819 128.3 52.6 -61.2 -31.2 20.9 -17.5 6.5 501 218 B W H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.966 111.6 43.0 -70.1 -52.4 21.5 -19.2 3.2 502 219 B T H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 112.7 53.9 -60.4 -41.8 18.9 -22.0 3.5 503 220 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.912 112.3 44.7 -58.8 -42.8 16.4 -19.5 4.9 504 221 B N H X S+ 0 0 8 -4,-1.7 4,-2.8 -5,-0.2 3,-0.4 0.987 114.4 46.1 -64.3 -58.7 16.8 -17.3 1.8 505 222 B Y H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.3 5,-0.4 0.816 113.6 52.5 -53.7 -33.0 16.8 -20.1 -0.7 506 223 B F H X>S+ 0 0 6 -4,-2.5 4,-1.8 -5,-0.3 5,-1.0 0.880 109.0 47.5 -71.1 -39.7 13.7 -21.4 1.1 507 224 B A H X5S+ 0 0 0 -4,-2.0 6,-2.6 -3,-0.4 4,-0.8 0.927 113.4 50.4 -66.2 -43.8 11.9 -18.1 0.9 508 225 B L H <5S+ 0 0 2 -4,-2.8 -2,-0.2 4,-0.2 -1,-0.2 0.942 128.6 16.9 -59.0 -52.9 12.7 -17.8 -2.7 509 226 B R H <5S+ 0 0 14 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.880 128.2 46.2 -92.8 -43.0 11.6 -21.3 -3.8 510 227 B G H <5S+ 0 0 3 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.830 132.2 19.9 -71.6 -34.1 9.3 -22.5 -1.0 511 228 B W S < + 0 0 0 -2,-0.3 3,-2.0 1,-0.1 6,-0.2 -0.556 32.3 158.7-123.1 70.1 21.5 -14.8 -1.8 519 236 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.757 76.7 60.1 -62.1 -22.9 24.8 -13.0 -1.0 520 237 B D T 3 S+ 0 0 39 -3,-0.1 2,-0.4 -20,-0.1 -19,-0.1 0.381 80.3 115.0 -85.4 4.6 26.0 -16.0 0.9 521 238 B D <> - 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