==== 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 28-OCT-97 1MPG . COMPND 2 MOLECULE: 3-METHYLADENINE DNA GLYCOSYLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LABAHN,O.D.SCHAERER,A.LONG,K.EZAZ-NIKPAY,G.L.VERDINE, . 564 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 64.7 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 . 52 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 6 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 . 17 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 36.5 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 0 2 4 0 5 3 2 5 1 0 0 2 2 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 . 2 0 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 111 0, 0.0 2,-0.3 0, 0.0 61,-0.2 0.000 360.0 360.0 360.0 -51.3 11.6 -2.1 5.5 2 2 A Y E -A 61 0A 73 59,-2.2 59,-3.2 69,-0.0 2,-0.4 -0.885 360.0-155.8-118.2 150.5 14.0 0.3 3.7 3 3 A T E -A 60 0A 87 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.994 8.9-175.0-133.6 133.6 17.7 0.1 3.6 4 4 A L E -A 59 0A 44 55,-2.4 55,-3.7 -2,-0.4 2,-0.2 -0.961 19.9-132.1-126.0 143.6 20.4 2.8 3.0 5 5 A N E -A 58 0A 93 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.591 17.2-171.5 -97.0 155.0 24.1 2.2 2.8 6 6 A W - 0 0 5 51,-1.9 79,-0.1 -2,-0.2 78,-0.1 -0.936 27.3-114.1-137.3 159.0 27.0 4.1 4.4 7 7 A Q - 0 0 92 79,-0.5 50,-0.0 77,-0.4 79,-0.0 -0.856 54.0 -80.9 -97.8 123.4 30.8 3.8 3.8 8 8 A P S S+ 0 0 51 0, 0.0 81,-0.2 0, 0.0 2,-0.1 -0.317 98.8 56.1 -65.1 152.0 32.8 2.5 6.8 9 9 A P + 0 0 50 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.543 60.3 160.4 -89.7 159.4 33.8 3.6 9.3 10 10 A Y - 0 0 19 -2,-0.1 2,-1.3 -4,-0.1 95,-0.2 -0.982 31.4-145.4-139.4 123.0 30.8 5.0 11.1 11 11 A D > + 0 0 47 93,-2.5 4,-2.1 -2,-0.4 95,-0.2 -0.704 25.4 170.1 -92.6 87.5 30.8 5.7 14.8 12 12 A W H > S+ 0 0 14 -2,-1.3 4,-2.9 2,-0.2 5,-0.3 0.806 74.3 58.3 -67.8 -31.2 27.2 4.9 15.8 13 13 A S H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 110.5 43.9 -65.1 -43.5 27.9 5.0 19.5 14 14 A W H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.920 115.5 48.0 -65.9 -46.8 29.1 8.6 19.1 15 15 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.940 114.9 43.3 -60.0 -51.9 26.3 9.6 16.8 16 16 A L H X S+ 0 0 10 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.873 113.7 53.3 -63.7 -34.5 23.5 8.1 19.0 17 17 A G H X S+ 0 0 40 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.920 108.6 49.9 -63.4 -44.8 25.3 9.6 22.0 18 18 A F H X S+ 0 0 2 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.948 115.8 41.7 -56.6 -53.5 25.2 13.0 20.3 19 19 A L H X S+ 0 0 4 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.815 110.1 58.3 -65.8 -34.6 21.5 12.7 19.5 20 20 A A H >< S+ 0 0 48 -4,-2.6 3,-0.5 2,-0.2 -1,-0.2 0.897 103.9 51.1 -64.3 -42.0 20.6 11.2 22.9 21 21 A A H 3< S+ 0 0 56 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.882 119.4 37.8 -62.6 -35.3 22.0 14.3 24.8 22 22 A R H 3< S+ 0 0 32 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.437 85.5 134.3 -95.9 -2.6 19.9 16.5 22.5 23 23 A A << - 0 0 25 -4,-0.8 2,-0.6 -3,-0.5 113,-0.1 -0.247 52.1-135.7 -56.6 126.1 16.8 14.3 22.3 24 24 A V >> - 0 0 0 111,-0.1 4,-3.0 1,-0.1 3,-1.5 -0.766 27.7-111.9 -87.7 121.7 13.5 16.2 22.8 25 25 A S T 34 S+ 0 0 85 -2,-0.6 4,-0.1 1,-0.2 115,-0.1 -0.247 98.1 10.2 -55.4 138.8 11.2 14.3 25.1 26 26 A S T 34 S+ 0 0 40 2,-0.3 127,-2.5 1,-0.1 -1,-0.2 0.129 127.8 61.3 75.7 -16.7 8.0 13.0 23.5 27 27 A V T <4 S+ 0 0 0 -3,-1.5 11,-2.1 1,-0.3 2,-0.3 0.837 107.2 30.0-100.1 -53.0 9.4 13.8 20.0 28 28 A E E < -B 37 0A 14 -4,-3.0 2,-0.4 9,-0.2 -2,-0.3 -0.856 54.2-166.9-116.2 151.3 12.6 11.6 19.9 29 29 A T E -B 36 0A 53 7,-3.3 7,-2.8 -2,-0.3 2,-0.5 -0.983 12.7-174.8-134.8 115.5 13.7 8.3 21.4 30 30 A V E +B 35 0A 31 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.962 9.6 163.9-118.5 130.5 17.4 7.4 21.3 31 31 A A - 0 0 33 3,-2.9 3,-0.1 -2,-0.5 -11,-0.1 -0.757 52.1 -92.6-132.4 177.1 18.8 4.1 22.4 32 32 A D S S+ 0 0 162 -2,-0.2 -16,-0.1 1,-0.2 -15,-0.1 0.827 123.4 30.7 -61.7 -34.3 22.1 2.1 22.0 33 33 A S S S+ 0 0 77 1,-0.1 2,-0.3 -17,-0.1 -1,-0.2 0.481 124.5 15.5-106.7 -5.3 20.7 0.2 19.0 34 34 A Y - 0 0 84 17,-0.2 -3,-2.9 -3,-0.1 2,-0.4 -0.986 52.1-137.6-160.7 170.6 18.3 2.6 17.3 35 35 A Y E +BC 30 50A 2 15,-1.8 15,-3.4 -2,-0.3 2,-0.3 -0.996 27.3 176.2-135.3 131.1 17.0 6.1 16.9 36 36 A A E +BC 29 49A 2 -7,-2.8 -7,-3.3 -2,-0.4 2,-0.3 -0.994 4.1 159.3-140.0 145.7 13.3 6.8 16.6 37 37 A R E -BC 28 48A 9 11,-2.3 11,-2.7 -2,-0.3 -9,-0.2 -0.994 41.3 -98.0-160.2 161.3 11.1 9.9 16.3 38 38 A S E - C 0 47A 0 -11,-2.1 2,-0.3 115,-0.3 9,-0.2 -0.444 43.9-172.5 -74.6 158.6 7.7 11.3 15.3 39 39 A L E - C 0 46A 9 7,-2.1 7,-2.0 -2,-0.1 2,-0.4 -0.965 16.8-165.4-158.2 140.3 7.7 12.9 11.8 40 40 A A E - C 0 45A 37 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.992 3.7-176.6-129.7 132.5 5.3 14.9 9.8 41 41 A V E > S- C 0 44A 26 3,-2.9 3,-2.2 -2,-0.4 2,-0.3 -0.903 71.8 -54.4-130.5 98.2 5.7 15.5 6.0 42 42 A G T 3 S- 0 0 64 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.534 123.7 -18.3 67.0-124.3 2.9 17.8 5.0 43 43 A E T 3 S+ 0 0 158 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.493 116.9 99.7 -91.8 -4.9 -0.2 16.0 6.2 44 44 A Y E < +C 41 0A 111 -3,-2.2 -3,-2.9 23,-0.1 2,-0.3 -0.706 51.6 177.1 -86.1 130.6 1.4 12.6 6.6 45 45 A R E +C 40 0A 52 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.965 16.2 103.6-136.0 150.2 2.4 11.7 10.1 46 46 A G E -C 39 0A 0 -7,-2.0 -7,-2.1 -2,-0.3 2,-0.4 -0.964 61.4 -61.3 173.2-159.3 3.9 8.8 12.0 47 47 A V E -C 38 0A 12 -2,-0.3 17,-1.8 -9,-0.2 2,-0.4 -0.965 34.2-157.8-121.4 133.4 7.1 7.4 13.6 48 48 A V E -CD 37 63A 1 -11,-2.7 -11,-2.3 -2,-0.4 2,-0.4 -0.920 8.4-166.2-110.0 137.3 10.4 6.7 11.8 49 49 A T E -CD 36 62A 28 13,-3.0 13,-3.0 -2,-0.4 2,-0.5 -0.995 4.4-162.3-127.7 128.3 12.8 4.2 13.2 50 50 A A E -CD 35 61A 1 -15,-3.4 -15,-1.8 -2,-0.4 11,-0.2 -0.955 8.5-177.2-112.4 121.0 16.5 3.9 12.1 51 51 A I E - D 0 60A 78 9,-3.3 9,-2.8 -2,-0.5 -17,-0.2 -0.930 16.8-143.9-121.9 107.2 18.3 0.7 13.0 52 52 A P E - D 0 59A 20 0, 0.0 2,-0.7 0, 0.0 7,-0.2 -0.459 6.3-157.5 -73.6 143.6 22.0 0.4 12.1 53 53 A D E >> - D 0 58A 64 5,-2.1 5,-1.7 1,-0.2 4,-0.6 -0.909 15.7-170.2-115.8 91.3 23.4 -2.9 10.9 54 54 A I T >45S+ 0 0 99 -2,-0.7 3,-1.0 1,-0.2 -1,-0.2 0.904 77.4 47.4 -52.5 -54.2 27.1 -2.2 11.7 55 55 A A T 345S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.884 119.5 39.8 -58.6 -43.1 28.8 -5.2 10.1 56 56 A R T 345S- 0 0 42 2,-0.1 -1,-0.3 -51,-0.0 -2,-0.2 0.425 103.0-133.1 -88.5 2.5 26.8 -4.8 6.9 57 57 A H T <<5 + 0 0 65 -3,-1.0 -51,-1.9 -4,-0.6 2,-0.4 0.882 61.5 133.1 41.6 52.1 27.1 -0.9 7.0 58 58 A T E < -AD 5 53A 29 -5,-1.7 -5,-2.1 -53,-0.2 2,-0.6 -0.996 50.8-146.2-132.3 128.7 23.4 -0.7 6.2 59 59 A L E -AD 4 52A 0 -55,-3.7 -55,-2.4 -2,-0.4 2,-0.5 -0.876 16.6-148.6 -98.6 119.9 20.9 1.6 8.0 60 60 A H E -AD 3 51A 63 -9,-2.8 -9,-3.3 -2,-0.6 2,-0.5 -0.801 10.0-158.5 -91.8 127.7 17.4 -0.0 8.2 61 61 A I E -AD 2 50A 1 -59,-3.2 -59,-2.2 -2,-0.5 2,-0.4 -0.930 7.3-170.9-111.6 126.9 14.5 2.4 8.2 62 62 A N E - D 0 49A 71 -13,-3.0 -13,-3.0 -2,-0.5 2,-0.4 -0.943 5.3-168.1-115.1 137.3 11.1 1.4 9.5 63 63 A L E - D 0 48A 6 -2,-0.4 -15,-0.2 -15,-0.2 2,-0.1 -0.973 20.2-125.7-126.1 138.1 8.1 3.7 9.0 64 64 A S >> - 0 0 13 -17,-1.8 3,-1.6 -2,-0.4 4,-0.7 -0.371 43.9 -92.6 -75.3 164.2 4.7 3.5 10.7 65 65 A A G >4 S+ 0 0 83 1,-0.3 3,-1.0 2,-0.2 -19,-0.1 0.812 119.8 63.0 -46.8 -42.4 1.6 3.4 8.3 66 66 A G G 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.1 -21,-0.2 0.735 105.1 46.0 -58.6 -26.5 1.0 7.1 8.2 67 67 A L G X4 S+ 0 0 0 -3,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.564 83.8 93.3 -94.3 -12.0 4.4 7.9 6.6 68 68 A E G X< S+ 0 0 69 -3,-1.0 3,-1.7 -4,-0.7 4,-0.2 0.825 78.5 60.4 -51.9 -40.0 4.4 5.2 3.9 69 69 A P G 3 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.810 116.7 33.8 -60.7 -27.0 2.9 7.5 1.2 70 70 A V G X> S+ 0 0 31 -3,-1.5 4,-1.8 1,-0.1 3,-0.5 -0.084 79.4 134.4-117.2 34.0 6.0 9.8 1.6 71 71 A A H <> + 0 0 11 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.866 68.6 54.4 -49.4 -47.0 8.5 7.0 2.4 72 72 A A H 3> S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 107.8 48.6 -59.3 -42.1 11.2 8.4 0.0 73 73 A E H <> S+ 0 0 75 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.867 110.3 52.1 -68.4 -33.9 11.2 11.8 1.6 74 74 A C H X S+ 0 0 0 -4,-1.8 4,-2.0 -7,-0.2 -2,-0.2 0.881 109.9 49.4 -67.0 -37.9 11.4 10.2 5.1 75 75 A L H X S+ 0 0 29 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.917 110.0 51.1 -66.0 -42.0 14.5 8.2 3.8 76 76 A A H X S+ 0 0 26 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.914 109.1 50.5 -61.7 -42.2 16.0 11.4 2.5 77 77 A K H X S+ 0 0 20 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.897 110.9 49.4 -63.1 -40.4 15.5 13.1 5.9 78 78 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.896 107.5 54.3 -64.2 -42.0 17.2 10.2 7.7 79 79 A S H X>S+ 0 0 39 -4,-2.4 5,-1.6 1,-0.2 4,-0.7 0.864 110.7 46.1 -61.2 -37.4 20.1 10.3 5.3 80 80 A R H <5S+ 0 0 85 -4,-1.7 29,-0.3 2,-0.2 -1,-0.2 0.821 111.6 51.1 -75.6 -32.9 20.6 14.0 6.1 81 81 A L H <5S+ 0 0 5 -4,-1.9 28,-2.2 28,-0.3 -2,-0.2 0.911 119.5 36.5 -69.3 -40.3 20.3 13.4 9.8 82 82 A F H <5S- 0 0 0 -4,-2.7 -2,-0.2 26,-0.2 -1,-0.2 0.410 100.2-128.5 -95.5 1.4 22.9 10.6 9.7 83 83 A D T ><5 + 0 0 7 -4,-0.7 3,-1.2 -5,-0.1 -3,-0.2 0.910 41.7 167.4 52.3 49.7 25.3 12.0 7.1 84 84 A L T 3 < + 0 0 17 -5,-1.6 -77,-0.4 1,-0.2 -1,-0.1 0.727 66.7 67.0 -65.8 -21.5 25.2 8.7 5.0 85 85 A Q T 3 S+ 0 0 127 -6,-0.4 -1,-0.2 -79,-0.1 -2,-0.1 0.695 73.5 123.1 -71.7 -22.7 26.9 10.5 2.1 86 86 A C < - 0 0 4 -3,-1.2 -79,-0.5 1,-0.1 3,-0.1 -0.133 50.1-157.5 -51.2 127.5 30.2 10.9 4.0 87 87 A N > - 0 0 70 1,-0.1 4,-1.7 -81,-0.1 3,-0.5 -0.912 11.4-169.4-103.2 98.1 33.3 9.5 2.5 88 88 A P H > S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.795 79.2 62.5 -61.4 -30.4 35.4 9.2 5.7 89 89 A Q H > S+ 0 0 93 -81,-0.2 4,-1.6 2,-0.2 5,-0.1 0.896 106.6 44.5 -62.7 -42.5 38.6 8.4 3.9 90 90 A I H > S+ 0 0 95 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.926 117.3 44.3 -68.4 -46.9 38.5 11.9 2.1 91 91 A V H X S+ 0 0 9 -4,-1.7 4,-2.8 1,-0.2 3,-0.3 0.958 117.8 43.7 -64.1 -49.9 37.6 13.8 5.3 92 92 A N H X S+ 0 0 33 -4,-3.2 4,-1.6 1,-0.2 7,-0.2 0.802 109.5 57.9 -66.3 -27.7 40.1 11.9 7.5 93 93 A G H < S+ 0 0 63 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.885 114.0 38.5 -68.3 -37.2 42.8 12.2 4.8 94 94 A A H < S+ 0 0 63 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.911 117.8 46.1 -79.0 -47.5 42.4 16.0 4.9 95 95 A L H >< S+ 0 0 11 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.747 85.2 174.9 -68.4 -25.8 42.0 16.5 8.7 96 96 A G G >X + 0 0 38 -4,-1.6 3,-1.1 1,-0.3 4,-0.7 -0.314 63.3 11.1 61.0-128.1 44.9 14.2 9.5 97 97 A R G >4 S+ 0 0 96 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.790 121.9 65.8 -51.8 -38.4 45.8 13.9 13.2 98 98 A L G <4 S+ 0 0 18 -3,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.834 107.8 38.9 -56.5 -38.9 42.6 15.8 14.3 99 99 A G G X4 S+ 0 0 0 -3,-1.1 3,-0.9 -7,-0.2 -1,-0.2 0.569 88.5 96.6 -91.2 -7.5 40.3 13.0 13.1 100 100 A A T << S+ 0 0 74 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.1 0.753 80.9 53.0 -52.3 -35.8 42.5 10.1 14.2 101 101 A A T 3 S+ 0 0 78 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.823 125.3 23.2 -73.1 -30.9 40.7 9.5 17.5 102 102 A R X + 0 0 78 -3,-0.9 3,-1.9 -4,-0.2 -1,-0.2 -0.541 64.4 161.7-135.1 69.3 37.3 9.3 15.9 103 103 A P T 3 S+ 0 0 58 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 0.764 79.6 56.8 -60.1 -23.3 37.6 8.3 12.2 104 104 A G T 3 S+ 0 0 4 -94,-0.1 -93,-2.5 -3,-0.1 -2,-0.0 0.348 76.3 129.7 -89.4 4.2 33.9 7.3 12.1 105 105 A L < - 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0 0 16 -3,-1.3 -1,-0.2 -5,-0.1 -3,-0.2 -0.929 39.6-179.3-118.0 105.2 19.7 35.4 14.8 216 216 A G > - 0 0 37 -2,-0.6 4,-2.2 -3,-0.1 5,-0.2 -0.207 46.1 -83.8 -89.4-172.4 23.3 36.1 15.5 217 217 A R H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 125.9 50.5 -61.9 -45.1 26.5 34.7 14.0 218 218 A W H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.922 112.3 46.7 -60.2 -47.6 26.6 31.5 16.2 219 219 A T H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 113.7 47.9 -61.5 -43.4 22.9 30.7 15.4 220 220 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.910 115.4 45.6 -64.2 -41.4 23.4 31.3 11.7 221 221 A N H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.914 115.7 45.1 -66.1 -47.5 26.6 29.1 11.7 222 222 A Y H X S+ 0 0 19 -4,-3.0 4,-2.5 2,-0.2 5,-0.5 0.849 112.8 51.1 -67.4 -36.6 25.1 26.3 13.7 223 223 A F H X>S+ 0 0 4 -4,-2.5 4,-2.3 -5,-0.2 5,-0.9 0.928 110.5 48.8 -66.9 -45.3 21.9 26.3 11.7 224 224 A A H X5S+ 0 0 0 -4,-2.2 6,-2.7 3,-0.2 4,-0.9 0.917 113.4 49.4 -58.5 -42.8 24.0 26.1 8.4 225 225 A L H <5S+ 0 0 0 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.935 129.7 16.8 -62.2 -52.0 26.0 23.2 9.9 226 226 A R H <5S+ 0 0 10 -4,-2.5 -3,-0.2 3,-0.2 -2,-0.2 0.880 129.5 47.3 -90.4 -44.1 23.0 21.1 11.2 227 227 A G H <5S+ 0 0 3 -4,-2.3 -3,-0.2 -5,-0.5 -2,-0.1 0.814 132.7 18.0 -68.5 -37.2 20.1 22.6 9.2 228 228 A W S < + 0 0 0 -2,-0.3 3,-1.6 1,-0.1 6,-0.2 -0.642 29.9 166.2-123.2 74.8 31.7 28.0 15.4 236 236 A P T 3 S+ 0 0 0 0, 0.0 17,-0.2 0, 0.0 -1,-0.1 0.630 80.4 51.8 -63.1 -15.5 34.3 30.6 16.8 237 237 A D T 3 S+ 0 0 48 -3,-0.1 2,-0.1 13,-0.1 -19,-0.1 0.458 81.8 124.4 -97.9 -7.0 31.7 32.1 19.2 238 238 A D <> - 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0 0 44 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.355 25.2-170.8 -56.2 117.1 46.1 65.5 2.4 479 196 B M S S+ 0 0 87 -2,-0.2 -83,-0.3 -4,-0.1 2,-0.3 0.576 73.2 39.4 -86.0 -11.8 44.7 62.0 3.3 480 197 B T S S- 0 0 97 -84,-0.1 31,-0.1 32,-0.0 32,-0.1 -0.927 110.8 -76.7-133.5 154.0 47.5 60.3 1.5 481 198 B I - 0 0 72 30,-0.3 -2,-0.1 -2,-0.3 4,-0.1 -0.309 52.5-132.3 -56.7 119.5 51.2 61.2 1.3 482 199 B P - 0 0 32 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.345 18.9-111.5 -71.4 159.6 51.5 64.1 -1.1 483 200 B G S S+ 0 0 97 1,-0.3 2,-0.4 2,-0.1 -2,-0.1 0.710 113.6 43.2 -63.0 -21.4 54.2 64.1 -3.9 484 201 B D > + 0 0 95 1,-0.1 4,-1.7 2,-0.0 -1,-0.3 -0.818 67.5 179.0-130.4 93.6 56.0 66.9 -2.1 485 202 B V H > S+ 0 0 33 -2,-0.4 4,-2.4 -3,-0.3 5,-0.2 0.900 80.6 49.9 -58.9 -50.6 56.1 66.4 1.7 486 203 B E H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 111.7 49.9 -57.9 -40.4 58.0 69.5 2.7 487 204 B Q H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.868 112.1 47.9 -66.1 -40.1 55.6 71.7 0.6 488 205 B A H X S+ 0 0 14 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.852 110.1 51.0 -71.9 -34.9 52.6 70.1 2.3 489 206 B M H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.880 106.0 56.1 -69.7 -36.7 54.1 70.4 5.8 490 207 B K H X S+ 0 0 126 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.935 108.9 47.3 -57.0 -47.5 54.7 74.2 5.1 491 208 B T H >< S+ 0 0 77 -4,-1.6 3,-1.2 1,-0.2 4,-0.3 0.908 109.3 54.6 -59.5 -45.9 51.0 74.5 4.3 492 209 B L H >< S+ 0 0 7 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.838 102.7 55.1 -57.6 -40.4 50.0 72.6 7.4 493 210 B Q H 3< S+ 0 0 81 -4,-2.0 -1,-0.3 1,-0.3 5,-0.2 0.615 95.6 67.5 -69.3 -15.5 52.0 74.9 9.7 494 211 B T T << S+ 0 0 120 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.535 82.6 97.1 -79.4 -10.1 50.0 77.8 8.2 495 212 B F S X S- 0 0 30 -3,-1.4 3,-1.7 -4,-0.3 2,-0.3 -0.576 94.4 -96.7 -78.5 143.0 47.0 76.3 10.0 496 213 B P T 3 S+ 0 0 63 0, 0.0 -29,-0.1 0, 0.0 -1,-0.1 -0.448 107.0 9.9 -65.7 124.3 46.2 77.9 13.4 497 214 B G T 3 S+ 0 0 8 -2,-0.3 2,-0.8 1,-0.2 -33,-0.1 0.531 93.7 119.1 87.6 4.8 47.7 75.8 16.2 498 215 B I < - 0 0 10 -3,-1.7 -1,-0.2 -5,-0.2 -3,-0.2 -0.863 41.8-179.8-107.4 98.3 49.9 73.5 14.1 499 216 B G > - 0 0 33 -2,-0.8 4,-1.8 -3,-0.1 5,-0.1 -0.061 44.5 -83.1 -82.5-168.2 53.5 74.1 15.0 500 217 B R H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.924 124.7 48.8 -64.7 -48.9 56.6 72.4 13.6 501 218 B W H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.909 111.9 49.1 -59.6 -45.3 56.5 69.2 15.7 502 219 B T H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 111.4 49.7 -62.3 -42.1 52.9 68.5 15.0 503 220 B A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.924 115.6 42.7 -62.8 -44.2 53.4 69.0 11.2 504 221 B N H X S+ 0 0 18 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.934 115.6 47.5 -66.8 -50.5 56.5 66.7 11.2 505 222 B Y H X S+ 0 0 21 -4,-3.0 4,-2.5 -5,-0.2 5,-0.4 0.865 113.0 50.2 -61.2 -37.2 54.8 64.0 13.5 506 223 B F H X>S+ 0 0 3 -4,-2.4 4,-2.9 -5,-0.3 5,-0.9 0.943 111.6 47.4 -67.0 -47.3 51.7 64.2 11.3 507 224 B A H X5S+ 0 0 0 -4,-2.4 6,-2.5 3,-0.2 4,-1.0 0.922 113.7 49.7 -57.3 -45.4 53.7 63.7 8.1 508 225 B L H <5S+ 0 0 3 -4,-2.8 -2,-0.2 4,-0.2 -1,-0.2 0.941 129.6 17.0 -61.2 -51.5 55.6 60.8 9.7 509 226 B R H <5S+ 0 0 8 -4,-2.5 -3,-0.2 3,-0.2 -2,-0.2 0.870 127.9 48.0 -92.3 -39.7 52.6 58.9 11.0 510 227 B G H <5S+ 0 0 3 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.1 0.771 132.5 19.0 -71.4 -31.9 49.6 60.4 9.0 511 228 B W S < + 0 0 0 -2,-0.2 3,-1.5 29,-0.2 6,-0.2 -0.673 30.0 165.7-121.8 79.0 61.6 65.3 15.0 519 236 B P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.780 80.2 51.5 -60.4 -31.5 64.2 67.9 16.3 520 237 B D T 3 S+ 0 0 40 13,-0.1 2,-0.1 4,-0.1 -19,-0.1 0.435 81.7 124.2 -88.1 -1.0 61.6 69.4 18.6 521 238 B D <> - 0 0 18 -3,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.402 63.2-133.8 -66.1 135.6 60.6 66.1 20.3 522 239 B Y H > S+ 0 0 204 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.893 105.9 41.4 -54.6 -50.2 60.9 66.0 24.0 523 240 B L H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.885 111.4 57.4 -68.7 -36.6 62.7 62.6 24.2 524 241 B I H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.875 101.2 57.1 -60.5 -37.2 64.9 63.5 21.2 525 242 B K H < S+ 0 0 83 -4,-2.1 6,-0.4 1,-0.2 -1,-0.2 0.848 107.5 48.4 -62.8 -33.4 66.1 66.6 23.1 526 243 B Q H < S+ 0 0 135 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.816 108.4 53.3 -75.8 -30.9 67.2 64.2 25.8 527 244 B R H < S+ 0 0 25 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.774 114.6 43.0 -72.0 -28.2 69.0 61.9 23.3 528 245 B F S >< S- 0 0 0 -4,-1.7 3,-1.9 -5,-0.2 -1,-0.3 -0.697 96.3-150.5-117.6 73.6 70.9 65.0 22.0 529 246 B P T 3 S- 0 0 88 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.161 72.8 -4.2 -51.0 127.0 71.8 66.6 25.3 530 247 B G T 3 S+ 0 0 83 -5,-0.2 2,-0.4 1,-0.2 -4,-0.1 0.439 100.4 128.5 68.7 0.0 72.2 70.4 25.2 531 248 B M < - 0 0 43 -3,-1.9 -1,-0.2 -6,-0.4 -3,-0.1 -0.727 54.0-132.4 -92.2 138.9 71.6 70.5 21.4 532 249 B T > - 0 0 68 -2,-0.4 4,-2.5 -3,-0.1 3,-0.4 -0.380 30.9 -99.8 -81.5 164.2 69.0 72.8 20.0 533 250 B P H > S+ 0 0 24 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.865 125.1 53.4 -51.8 -40.9 66.3 71.7 17.4 534 251 B A H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.884 110.5 46.2 -63.0 -41.2 68.5 73.3 14.7 535 252 B Q H > S+ 0 0 94 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.892 112.8 49.6 -68.3 -42.0 71.6 71.3 15.8 536 253 B I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.932 110.4 51.0 -62.6 -46.0 69.6 68.1 16.0 537 254 B R H X S+ 0 0 134 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.890 111.3 48.0 -59.0 -41.9 68.1 68.7 12.5 538 255 B R H >< S+ 0 0 185 -4,-1.9 3,-1.0 2,-0.2 4,-0.3 0.940 112.8 48.4 -65.1 -45.6 71.7 69.2 11.1 539 256 B Y H >< S+ 0 0 20 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.931 107.4 56.6 -58.2 -47.5 72.9 66.1 12.9 540 257 B A H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.608 83.0 83.6 -61.3 -17.3 70.0 64.0 11.6 541 258 B E G X< S+ 0 0 103 -3,-1.0 3,-1.9 -4,-0.7 -1,-0.3 0.791 75.8 72.8 -58.7 -28.1 70.7 64.8 7.9 542 259 B R G < S+ 0 0 136 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.728 92.8 57.1 -59.4 -22.7 73.3 62.0 7.9 543 260 B W G X S+ 0 0 25 -3,-1.9 3,-2.4 -4,-0.1 -1,-0.3 0.406 85.9 160.1 -92.0 1.4 70.3 59.6 7.9 544 261 B K T < + 0 0 133 -3,-1.9 -29,-0.1 1,-0.3 -3,-0.0 -0.345 57.5 27.3 -60.1 143.8 68.6 60.8 4.8 545 262 B P T 3 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.865 129.5 43.0 -93.6 25.3 66.5 59.4 3.0 546 263 B W X> + 0 0 66 -3,-2.4 4,-2.1 1,-0.1 3,-0.7 -0.139 62.4 135.0-121.9 38.8 65.4 57.4 6.0 547 264 B R H 3> S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -32,-0.3 0.712 71.5 60.9 -59.5 -22.4 65.2 59.9 8.9 548 265 B S H 3> S+ 0 0 0 -34,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.890 108.3 41.9 -71.7 -40.5 61.8 58.6 9.9 549 266 B Y H <> S+ 0 0 2 -3,-0.7 4,-2.0 -35,-0.7 -2,-0.2 0.880 112.8 55.1 -71.3 -36.8 63.3 55.1 10.6 550 267 B A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.897 104.9 54.4 -59.5 -43.8 66.3 56.8 12.3 551 268 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 -35,-0.2 -1,-0.2 0.923 107.7 48.7 -56.3 -50.9 63.9 58.7 14.6 552 269 B L H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.884 110.7 50.3 -59.3 -43.3 62.3 55.4 15.8 553 270 B H H < S+ 0 0 3 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.933 111.8 47.0 -62.9 -44.7 65.6 53.7 16.5 554 271 B I H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 6,-0.2 0.913 109.8 54.2 -63.6 -41.0 66.9 56.7 18.5 555 272 B W H 3< S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.882 116.1 39.5 -58.3 -40.4 63.6 56.8 20.4 556 273 B Y T 3< S+ 0 0 63 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.3 0.045 93.8 87.4-101.2 24.6 64.1 53.1 21.3 557 274 B T X - 0 0 36 -3,-1.4 3,-1.9 1,-0.1 -1,-0.1 -0.853 58.7-169.3-123.1 89.5 67.8 53.0 22.0 558 275 B E T 3 S+ 0 0 172 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.826 82.8 42.3 -49.0 -43.5 68.1 54.0 25.6 559 276 B G T 3 S+ 0 0 71 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.167 84.5 132.2 -94.6 18.7 71.8 54.4 25.7 560 277 B W < + 0 0 43 -3,-1.9 -3,-0.0 -6,-0.2 -179,-0.0 -0.415 24.4 165.2 -72.0 143.2 72.2 56.3 22.4 561 278 B Q - 0 0 144 -2,-0.1 -33,-0.1 -33,-0.1 -34,-0.1 -0.973 36.8 -91.5-154.0 149.5 74.2 59.5 22.3 562 279 B P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -34,-0.0 -0.176 35.7-110.4 -67.3 157.9 75.6 61.5 19.4 563 280 B D - 0 0 117 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.521 32.4-117.5 -82.6 153.0 79.1 61.3 17.7 564 281 B E 0 0 198 -2,-0.2 -1,-0.1 1,-0.0 0, 0.0 -0.607 360.0 360.0 -94.5 153.6 81.7 64.0 18.1 565 282 B A 0 0 148 -2,-0.2 -1,-0.0 0, 0.0 0, 0.0 -0.705 360.0 360.0-131.5 360.0 83.2 66.2 15.3