==== 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 19-APR-08 3CVT . 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) . 48392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 762 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 11 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 44 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 35.9 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 1 4 9 2 7 6 6 10 0 0 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 1 2 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 . 3 0 0 3 1 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 0 173 0, 0.0 61,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -82.5 29.4 1.5 69.4 2 2 A Y E -A 61 0A 39 59,-2.5 59,-3.2 69,-0.0 2,-0.4 -0.499 360.0-156.3 -75.6 150.2 29.5 -1.8 67.5 3 3 A T E -A 60 0A 65 57,-0.3 2,-0.3 -2,-0.1 57,-0.2 -0.993 15.4-176.6-137.0 141.9 32.9 -3.1 66.5 4 4 A L E -A 59 0A 4 55,-2.2 55,-3.0 -2,-0.4 2,-0.2 -0.936 20.6-129.4-129.7 151.7 34.3 -5.4 63.8 5 5 A N E -A 58 0A 86 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.538 19.2-176.3-100.7 166.9 37.8 -6.6 63.1 6 6 A W - 0 0 17 51,-1.3 79,-0.1 -2,-0.2 78,-0.1 -0.976 27.9-110.8-154.5 156.7 40.1 -6.7 60.1 7 7 A Q - 0 0 71 79,-0.5 50,-0.0 77,-0.4 79,-0.0 -0.796 52.4 -77.7 -97.5 136.6 43.6 -8.0 59.3 8 8 A P S S+ 0 0 60 0, 0.0 81,-0.2 0, 0.0 2,-0.1 -0.382 96.7 51.8 -73.3 154.2 46.4 -5.6 58.5 9 9 A P + 0 0 57 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.576 61.2 163.3 -85.4 159.6 47.4 -3.9 56.4 10 10 A Y - 0 0 20 -2,-0.1 2,-1.8 -4,-0.1 95,-0.2 -0.935 30.7-146.2-140.4 113.4 44.4 -1.9 55.5 11 11 A D > + 0 0 48 93,-1.9 4,-2.1 -2,-0.4 3,-0.3 -0.579 24.9 172.1 -81.3 81.2 44.8 1.3 53.4 12 12 A W H > S+ 0 0 13 -2,-1.8 4,-2.3 1,-0.2 5,-0.2 0.726 73.7 56.5 -62.8 -25.7 42.0 3.4 54.9 13 13 A S H > S+ 0 0 92 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.897 108.7 45.8 -73.5 -39.4 43.0 6.6 53.1 14 14 A W H > S+ 0 0 12 -3,-0.3 4,-3.2 2,-0.2 -2,-0.2 0.933 116.0 47.2 -65.0 -47.5 42.8 4.9 49.7 15 15 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.922 115.9 42.2 -61.0 -50.1 39.5 3.3 50.6 16 16 A L H X S+ 0 0 7 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.922 115.0 52.8 -64.9 -40.1 37.9 6.5 52.0 17 17 A G H X S+ 0 0 38 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.951 109.6 48.2 -57.7 -49.7 39.4 8.4 49.1 18 18 A F H X S+ 0 0 5 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.895 115.2 44.3 -58.3 -43.7 37.9 6.0 46.6 19 19 A L H X S+ 0 0 8 -4,-2.4 4,-1.0 1,-0.2 3,-0.5 0.897 109.2 57.8 -69.8 -38.4 34.5 6.2 48.3 20 20 A A H >< S+ 0 0 46 -4,-3.2 3,-0.7 1,-0.2 -2,-0.2 0.898 101.0 55.8 -58.6 -43.1 34.7 10.0 48.6 21 21 A A H 3< S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.0 35.0 -60.0 -34.1 35.2 10.4 44.8 22 22 A R H 3< S+ 0 0 35 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.439 88.0 136.0-101.1 -0.4 31.9 8.6 44.1 23 23 A A << - 0 0 27 -4,-1.0 2,-0.6 -3,-0.7 113,-0.1 -0.027 50.1-130.8 -49.8 146.2 30.0 9.8 47.1 24 24 A V >> - 0 0 1 111,-0.1 4,-2.8 112,-0.1 3,-1.6 -0.909 23.3-111.7-111.0 125.3 26.4 10.9 46.5 25 25 A S B 34 S+b 28 0A 71 -2,-0.6 115,-0.1 107,-0.3 4,-0.1 -0.266 99.8 8.9 -54.7 124.1 25.2 14.2 48.0 26 26 A S T 34 S+ 0 0 44 2,-0.5 127,-2.4 -2,-0.1 -1,-0.3 0.039 126.6 64.2 91.4 -21.9 22.6 13.9 50.8 27 27 A V T <4 S+ 0 0 0 -3,-1.6 11,-1.6 125,-0.2 2,-0.2 0.889 105.2 24.0 -95.8 -53.3 23.2 10.1 50.9 28 28 A E E < -bC 25 37A 13 -4,-2.8 -2,-0.5 9,-0.2 2,-0.3 -0.658 53.7-163.6-113.6 169.5 26.9 9.8 52.0 29 29 A T E - C 0 36A 52 7,-1.8 7,-1.5 -2,-0.2 2,-0.5 -0.908 10.8-171.0-153.0 118.7 29.5 11.8 53.9 30 30 A V E + C 0 35A 39 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.965 12.1 161.0-122.9 129.0 33.2 11.0 53.7 31 31 A A - 0 0 33 3,-2.2 3,-0.1 -2,-0.5 -11,-0.1 -0.747 54.5 -94.6-129.2 176.2 36.0 12.5 55.8 32 32 A D S S+ 0 0 142 -2,-0.2 -16,-0.1 1,-0.2 -15,-0.1 0.634 122.0 37.8 -74.2 -10.6 39.5 11.3 56.5 33 33 A S S S+ 0 0 61 1,-0.2 2,-0.3 -17,-0.1 -1,-0.2 0.586 121.7 12.0-114.4 -13.6 38.5 9.6 59.8 34 34 A Y - 0 0 81 17,-0.2 -3,-2.2 -3,-0.1 2,-0.3 -0.957 50.8-140.1-155.7 173.9 35.1 8.2 59.0 35 35 A Y E +CD 30 50A 5 15,-1.9 15,-3.4 -2,-0.3 2,-0.3 -0.964 26.1 171.3-135.3 145.7 32.3 7.3 56.6 36 36 A A E +CD 29 49A 4 -7,-1.5 -7,-1.8 -2,-0.3 2,-0.3 -0.972 2.6 155.2-159.5 146.7 28.6 7.7 57.1 37 37 A R E -CD 28 48A 9 11,-1.8 11,-2.7 -2,-0.3 -9,-0.2 -0.973 43.6 -85.1-162.0 171.6 25.4 7.4 55.2 38 38 A S E - D 0 47A 1 -11,-1.6 2,-0.3 115,-0.3 9,-0.2 -0.423 46.5-169.3 -78.0 160.0 21.7 6.9 55.2 39 39 A L E - D 0 46A 7 7,-1.8 7,-1.2 -2,-0.1 2,-0.4 -0.941 16.1-162.3-160.7 134.2 20.6 3.2 55.2 40 40 A A E + D 0 45A 37 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.952 8.6 176.4-119.9 136.7 17.4 1.3 54.7 41 41 A V E > S- D 0 44A 22 3,-1.9 3,-1.8 -2,-0.4 2,-0.1 -0.902 75.8 -45.8-135.4 102.0 16.9 -2.4 55.7 42 42 A G T 3 S- 0 0 66 -2,-0.4 -1,-0.1 1,-0.2 1007,-0.0 -0.478 120.8 -31.3 65.0-141.5 13.2 -3.2 55.0 43 43 A E T 3 S+ 0 0 167 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.085 115.6 107.1 -99.9 31.3 11.3 -0.4 56.4 44 44 A Y E < -D 41 0A 67 -3,-1.8 -3,-1.9 23,-0.1 2,-0.3 -0.790 51.3-178.1 -98.5 144.7 13.8 0.3 59.2 45 45 A R E +D 40 0A 63 21,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.987 16.6 104.1-149.1 157.7 15.9 3.5 58.6 46 46 A G E -D 39 0A 3 -7,-1.2 -7,-1.8 -2,-0.3 2,-0.4 -0.990 57.1 -58.9 168.6-161.5 18.7 5.6 59.9 47 47 A V E -D 38 0A 9 -2,-0.3 17,-1.8 -9,-0.2 2,-0.4 -0.952 34.5-156.6-119.6 136.7 22.3 6.7 59.7 48 48 A V E -DE 37 63A 1 -11,-2.7 -11,-1.8 -2,-0.4 2,-0.5 -0.924 6.1-165.9-113.1 136.6 25.3 4.5 60.0 49 49 A T E -DE 36 62A 32 13,-2.2 13,-2.4 -2,-0.4 2,-0.5 -0.987 1.2-165.0-125.1 128.2 28.7 5.9 61.0 50 50 A A E -DE 35 61A 2 -15,-3.4 -15,-1.9 -2,-0.5 11,-0.2 -0.947 6.2-178.0-115.9 130.4 31.9 3.9 60.5 51 51 A I E - E 0 60A 77 9,-2.7 9,-2.6 -2,-0.5 -17,-0.2 -0.932 15.6-146.5-131.6 109.7 35.1 4.9 62.3 52 52 A P E - E 0 59A 21 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.379 1.5-156.4 -72.5 153.8 38.3 2.9 61.7 53 53 A D E >>> - E 0 58A 29 5,-2.1 5,-1.2 1,-0.1 4,-0.9 -0.770 9.0-175.4-130.9 81.1 40.8 2.5 64.6 54 54 A I G >45S+ 0 0 109 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.876 79.8 63.7 -42.2 -49.2 44.1 1.9 62.8 55 55 A A G 345S+ 0 0 80 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.875 117.8 22.4 -45.0 -53.3 45.7 1.4 66.1 56 56 A R G <45S- 0 0 157 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.231 103.0-117.3-105.3 14.4 43.7 -1.7 67.0 57 57 A H T <<5S+ 0 0 80 -3,-1.1 -51,-1.3 -4,-0.9 2,-0.3 0.923 71.7 130.7 48.3 52.9 42.5 -2.9 63.6 58 58 A T E < -AE 5 53A 15 -5,-1.2 -5,-2.1 -53,-0.2 2,-0.5 -0.975 50.6-148.0-136.2 146.5 38.9 -2.4 64.4 59 59 A L E -AE 4 52A 0 -55,-3.0 -55,-2.2 -2,-0.3 2,-0.5 -0.973 15.3-151.2-116.1 121.7 36.0 -0.6 62.7 60 60 A H E -AE 3 51A 47 -9,-2.6 -9,-2.7 -2,-0.5 2,-0.4 -0.807 10.6-163.9 -95.5 127.1 33.5 1.0 65.0 61 61 A I E -AE 2 50A 1 -59,-3.2 -59,-2.5 -2,-0.5 2,-0.4 -0.912 2.9-166.8-111.8 137.9 29.9 1.2 63.7 62 62 A N E - E 0 49A 67 -13,-2.4 -13,-2.2 -2,-0.4 2,-0.4 -0.967 4.1-161.4-122.0 140.5 27.3 3.4 65.1 63 63 A L E - E 0 48A 7 -2,-0.4 -15,-0.2 -15,-0.2 5,-0.1 -0.979 19.2-126.3-126.0 133.0 23.6 3.1 64.3 64 64 A S >> - 0 0 14 -17,-1.8 3,-2.2 -2,-0.4 4,-0.6 -0.417 44.6 -97.7 -66.9 151.2 20.9 5.7 64.8 65 65 A A G >4 S+ 0 0 82 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.767 119.0 68.3 -42.4 -39.9 18.0 4.3 66.8 66 66 A G G 34 S+ 0 0 34 1,-0.2 -21,-0.4 2,-0.1 -1,-0.3 0.798 103.4 43.6 -55.5 -30.1 15.9 3.5 63.7 67 67 A L G X4 S+ 0 0 0 -3,-2.2 3,-1.7 -23,-0.2 -1,-0.2 0.599 85.1 96.3 -91.5 -13.1 18.4 0.8 62.5 68 68 A E G X< S+ 0 0 67 -3,-1.0 3,-1.9 -4,-0.6 4,-0.2 0.815 74.9 61.6 -47.0 -43.3 18.9 -0.9 65.9 69 69 A P G 3 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.807 116.7 32.8 -56.7 -29.3 16.3 -3.7 65.3 70 70 A V G X> S+ 0 0 17 -3,-1.7 4,-2.2 1,-0.1 3,-1.1 -0.067 79.2 137.5-116.9 30.1 18.3 -4.9 62.3 71 71 A A H <> + 0 0 6 -3,-1.9 4,-2.4 1,-0.3 5,-0.2 0.855 69.1 54.1 -43.4 -48.4 21.7 -4.0 63.7 72 72 A A H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 853,-0.4 0.835 107.4 49.5 -61.3 -35.1 23.4 -7.2 62.5 73 73 A E H <> S+ 0 0 27 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.913 109.5 53.3 -70.9 -39.0 22.2 -6.7 58.9 74 74 A C H X S+ 0 0 0 -4,-2.2 4,-1.7 -7,-0.2 -2,-0.2 0.922 109.8 47.6 -59.8 -41.0 23.6 -3.2 59.1 75 75 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 109.9 52.9 -65.0 -41.9 26.9 -4.6 60.3 76 76 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 845,-0.4 5,-0.2 0.925 107.9 50.2 -60.2 -45.6 26.9 -7.2 57.5 77 77 A K H X S+ 0 0 25 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.872 111.0 50.8 -61.5 -36.0 26.3 -4.5 54.9 78 78 A M H X S+ 0 0 1 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.883 108.0 50.9 -69.7 -39.7 29.2 -2.5 56.3 79 79 A S H <>S+ 0 0 14 -4,-2.4 5,-1.5 1,-0.2 4,-0.5 0.798 110.2 49.2 -70.4 -27.2 31.6 -5.5 56.3 80 80 A R H <5S+ 0 0 54 -4,-1.7 3,-0.3 2,-0.2 29,-0.3 0.851 110.6 52.6 -77.3 -34.2 30.8 -6.2 52.6 81 81 A L H <5S+ 0 0 5 -4,-1.6 28,-2.0 28,-0.2 -2,-0.2 0.912 118.4 34.3 -65.9 -42.3 31.4 -2.5 51.8 82 82 A F T <5S- 0 0 1 -4,-2.2 -1,-0.2 26,-0.2 -2,-0.2 0.350 101.8-127.0 -97.5 4.9 34.8 -2.4 53.5 83 83 A D T > 5 + 0 0 2 -4,-0.5 3,-1.7 -3,-0.3 -3,-0.2 0.877 42.3 167.9 54.0 43.5 35.9 -5.9 52.6 84 84 A L T 3 < + 0 0 10 -5,-1.5 -77,-0.4 1,-0.3 -1,-0.1 0.677 69.2 67.8 -61.2 -15.3 36.8 -6.8 56.2 85 85 A Q T 3 S+ 0 0 42 -6,-0.4 -1,-0.3 -79,-0.1 834,-0.1 0.712 73.9 113.6 -77.6 -23.6 37.1 -10.4 55.1 86 86 A C < - 0 0 5 -3,-1.7 -79,-0.5 1,-0.1 3,-0.1 -0.160 52.8-156.1 -55.9 139.1 40.2 -9.9 53.0 87 87 A N >> - 0 0 42 1,-0.1 4,-1.6 -81,-0.1 3,-0.9 -0.900 5.1-163.0-115.3 96.3 43.4 -11.5 54.0 88 88 A P H 3>>S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.6 0.816 84.6 63.9 -50.0 -35.5 46.1 -9.4 52.4 89 89 A Q H 3>5S+ 0 0 133 -81,-0.2 4,-1.3 1,-0.2 5,-0.1 0.929 106.1 43.7 -58.2 -43.6 48.8 -12.1 52.8 90 90 A I H <>5S+ 0 0 88 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.945 121.3 38.9 -66.0 -47.4 46.9 -14.4 50.5 91 91 A V H X5S+ 0 0 8 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.943 119.5 42.3 -70.2 -52.8 46.1 -11.7 47.9 92 92 A N H X5S+ 0 0 32 -4,-3.0 4,-1.2 1,-0.2 7,-0.2 0.836 113.2 57.0 -64.8 -30.4 49.3 -9.8 47.9 93 93 A G H << S+ 0 0 12 -4,-1.8 3,-1.2 1,-0.2 4,-0.2 0.545 82.0 179.2 -92.9 -11.6 49.8 -10.9 42.9 96 96 A G T >X + 0 0 38 -4,-1.2 3,-1.5 1,-0.2 4,-0.8 -0.158 67.3 10.4 49.3-127.3 53.4 -10.3 43.8 97 97 A R H >> S+ 0 0 220 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.851 120.9 65.8 -48.4 -48.5 54.8 -7.1 42.2 98 98 A L H <4 S+ 0 0 17 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.798 112.9 34.0 -49.5 -31.6 51.4 -5.8 41.1 99 99 A G H X4 S+ 0 0 0 -3,-1.5 3,-1.2 -7,-0.2 -1,-0.3 0.528 90.3 93.3-104.5 -5.4 50.3 -5.4 44.7 100 100 A A H << S+ 0 0 61 -3,-1.1 -2,-0.1 -4,-0.8 -1,-0.1 0.786 80.9 59.2 -57.6 -32.6 53.6 -4.4 46.4 101 101 A A T 3< S+ 0 0 84 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.736 123.5 16.0 -72.6 -23.8 52.9 -0.7 46.1 102 102 A R X + 0 0 77 -3,-1.2 3,-2.4 -4,-0.1 -1,-0.2 -0.392 63.9 165.4-148.8 65.2 49.7 -0.7 48.1 103 103 A P T 3 S+ 0 0 51 0, 0.0 -11,-0.2 0, 0.0 -3,-0.1 0.614 76.1 67.1 -58.5 -11.6 49.3 -4.0 50.1 104 104 A G T 3 S+ 0 0 6 -94,-0.1 -93,-1.9 -5,-0.1 -5,-0.0 0.494 72.9 130.4 -88.3 -2.7 46.5 -2.3 52.1 105 105 A L < - 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0 0 89 -2,-0.3 4,-2.1 1,-0.2 3,-0.7 -0.662 17.3-143.9 -82.0 121.9 8.5 8.3 34.4 166 166 A P H 3> S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.883 104.3 52.9 -48.3 -41.1 11.2 7.6 31.9 167 167 A Q H 3> S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.875 104.7 54.6 -64.5 -37.8 10.9 11.2 30.7 168 168 A A H <> S+ 0 0 30 -3,-0.7 4,-0.6 2,-0.2 -1,-0.2 0.939 112.4 42.8 -60.4 -48.3 11.4 12.4 34.3 169 169 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.867 111.2 55.2 -65.2 -39.7 14.6 10.5 34.6 170 170 A K H >X S+ 0 0 93 -4,-2.5 3,-1.9 -5,-0.3 4,-1.2 0.917 102.0 59.0 -58.4 -43.0 15.7 11.5 31.1 171 171 A A H 3< S+ 0 0 81 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.733 93.4 67.2 -59.1 -24.1 15.2 15.1 32.3 172 172 A L T << S- 0 0 30 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.723 131.4 -77.6 -72.2 -19.4 17.8 14.5 35.0 173 173 A G T <4 S+ 0 0 51 -3,-1.9 -2,-0.2 -4,-0.5 -3,-0.2 0.640 95.0 99.6 129.7 30.2 20.6 14.2 32.4 174 174 A M S < S- 0 0 11 -4,-1.2 -1,-0.4 -5,-0.4 -2,-0.1 -0.952 70.5 -95.1-140.5 157.1 20.5 10.7 30.7 175 175 A P > - 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0 0 20 0, 0.0 -2,-0.1 0, 0.0 847,-0.1 -0.192 27.0-172.9 -46.4 125.4 20.8 -11.4 42.8 196 196 A M S S+ 0 0 59 -4,-0.1 -83,-0.3 2,-0.1 2,-0.3 0.685 70.7 44.4 -97.3 -22.1 21.5 -9.4 45.9 197 197 A T S S- 0 0 58 844,-0.1 31,-0.1 849,-0.0 848,-0.1 -0.820 110.0 -80.3-115.4 158.6 24.1 -11.7 47.4 198 198 A I - 0 0 84 -2,-0.3 2,-0.1 30,-0.3 693,-0.1 -0.346 50.5-131.5 -61.9 131.7 26.9 -13.1 45.3 199 199 A P - 0 0 10 0, 0.0 3,-0.4 0, 0.0 840,-0.2 -0.443 15.2-116.1 -82.4 161.8 25.7 -16.2 43.3 200 200 A G S S+ 0 0 44 838,-0.7 2,-0.7 1,-0.3 840,-0.2 0.877 111.6 41.8 -61.3 -39.0 27.6 -19.5 43.2 201 201 A D > + 0 0 67 838,-2.5 4,-2.5 837,-0.2 -1,-0.3 -0.784 68.1 175.3-113.8 86.7 28.2 -19.2 39.4 202 202 A V H > S+ 0 0 28 -2,-0.7 4,-1.8 -3,-0.4 5,-0.2 0.852 77.5 54.0 -58.7 -39.6 29.2 -15.5 38.8 203 203 A E H > S+ 0 0 154 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.928 112.3 43.7 -64.7 -43.1 29.9 -16.0 35.1 204 204 A Q H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.951 112.2 51.9 -66.4 -48.9 26.5 -17.5 34.4 205 205 A A H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.802 108.9 52.2 -59.2 -29.5 24.7 -14.9 36.5 206 206 A M H X S+ 0 0 18 -4,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.852 106.0 53.3 -74.0 -34.9 26.5 -12.1 34.6 207 207 A K H < S+ 0 0 144 -4,-1.6 4,-0.3 -3,-0.4 -2,-0.2 0.923 111.2 46.3 -64.5 -43.1 25.4 -13.6 31.3 208 208 A T H >X S+ 0 0 50 -4,-2.2 3,-1.9 1,-0.2 4,-0.7 0.914 108.8 55.7 -62.9 -44.5 21.8 -13.6 32.5 209 209 A L H >< S+ 0 0 5 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.820 99.8 62.4 -57.7 -32.4 22.3 -10.0 33.8 210 210 A Q T 3< S+ 0 0 74 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.570 89.6 65.5 -72.8 -10.5 23.4 -9.1 30.2 211 211 A T T <4 S+ 0 0 111 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.820 81.3 100.2 -78.3 -30.3 20.0 -10.0 28.8 212 212 A F S X< S- 0 0 17 -4,-0.7 3,-1.2 -3,-0.7 2,-0.3 -0.168 89.5-103.6 -49.0 142.6 18.6 -7.0 30.8 213 213 A P T 3 S+ 0 0 70 0, 0.0 -28,-0.2 0, 0.0 -1,-0.1 -0.567 103.3 18.2 -78.1 138.0 18.2 -4.0 28.6 214 214 A G T 3 S+ 0 0 42 -2,-0.3 2,-0.6 1,-0.1 -2,-0.1 0.405 100.8 107.6 87.4 -2.1 20.8 -1.3 29.0 215 215 A I < + 0 0 11 -3,-1.2 -1,-0.1 -5,-0.1 2,-0.1 -0.871 43.1 169.2-116.0 101.9 23.2 -3.7 30.7 216 216 A G > - 0 0 38 -2,-0.6 4,-2.1 -3,-0.1 5,-0.2 -0.137 54.4 -76.6 -93.7-166.8 26.2 -4.8 28.5 217 217 A R H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.835 128.7 52.3 -63.5 -35.4 29.3 -6.7 29.4 218 218 A W H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.965 111.8 45.4 -64.6 -52.2 31.0 -3.7 31.1 219 219 A T H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.864 112.2 50.5 -58.9 -40.3 28.0 -3.1 33.4 220 220 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.859 114.3 45.4 -69.4 -33.8 27.5 -6.7 34.3 221 221 A N H X S+ 0 0 7 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.959 113.8 45.9 -72.6 -53.5 31.2 -7.0 35.2 222 222 A Y H X S+ 0 0 24 -4,-2.9 4,-2.6 1,-0.2 5,-0.4 0.910 115.5 49.5 -56.0 -42.8 31.5 -3.8 37.2 223 223 A F H X>S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.3 5,-0.8 0.863 108.8 51.1 -64.4 -38.9 28.3 -4.7 39.0 224 224 A A H X5S+ 0 0 0 -4,-1.6 6,-2.6 3,-0.2 4,-0.9 0.917 113.6 47.8 -64.3 -39.5 29.6 -8.2 39.8 225 225 A L H <5S+ 0 0 0 -4,-2.7 -2,-0.2 4,-0.2 -1,-0.2 0.935 127.9 20.6 -67.5 -49.4 32.7 -6.6 41.2 226 226 A R H <5S+ 0 0 9 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.858 128.8 45.1 -89.2 -41.7 31.1 -3.9 43.4 227 227 A G H <5S+ 0 0 2 -4,-2.0 -3,-0.2 -5,-0.4 -114,-0.2 0.774 132.9 19.3 -76.4 -28.5 27.6 -5.3 43.8 228 228 A W S < + 0 0 1 -2,-0.2 3,-1.2 1,-0.1 6,-0.2 -0.699 32.9 163.8-117.1 77.6 37.2 -5.2 33.3 236 236 A P T 3 S+ 0 0 6 0, 0.0 17,-0.2 0, 0.0 -1,-0.1 0.527 78.3 52.3 -70.3 -7.6 38.7 -5.5 29.8 237 237 A D T 3 S+ 0 0 36 -3,-0.1 -19,-0.1 -20,-0.1 5,-0.1 0.463 82.8 121.2-106.3 -4.8 36.2 -3.1 28.4 238 238 A D <> - 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0 0 78 -2,-0.3 3,-2.2 1,-0.1 4,-1.8 -0.480 34.2-107.1 -74.7 145.6 41.7 -5.7 22.1 250 250 A P H 3> S+ 0 0 37 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.802 121.3 53.0 -37.3 -46.4 39.4 -6.7 24.9 251 251 A A H 3> S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.832 108.1 52.1 -64.9 -31.1 40.0 -10.4 24.4 252 252 A Q H <> S+ 0 0 100 -3,-2.2 4,-3.2 2,-0.2 5,-0.2 0.970 110.1 46.7 -67.2 -53.7 43.7 -9.7 24.6 253 253 A I H X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 -2,-0.2 0.901 113.1 50.7 -54.1 -43.4 43.5 -7.8 27.9 254 254 A R H < S+ 0 0 63 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.2 0.902 110.7 48.5 -64.3 -39.2 41.2 -10.7 29.2 255 255 A R H >< S+ 0 0 155 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.942 114.7 45.6 -65.9 -43.8 43.8 -13.2 28.1 256 256 A Y H >< S+ 0 0 23 -4,-3.2 3,-1.9 1,-0.2 -2,-0.2 0.945 106.6 59.0 -61.2 -48.9 46.5 -11.2 29.8 257 257 A A G >< S+ 0 0 0 -4,-3.4 3,-1.3 1,-0.3 -1,-0.2 0.578 85.3 83.3 -58.7 -9.2 44.5 -10.7 32.9 258 258 A E G X S+ 0 0 107 -3,-1.1 3,-1.4 -4,-0.5 -1,-0.3 0.696 72.9 72.0 -70.8 -19.4 44.3 -14.5 33.4 259 259 A R G < S+ 0 0 114 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.687 92.9 59.6 -68.6 -15.4 47.6 -14.6 35.1 260 260 A W G X S+ 0 0 24 -3,-1.3 3,-2.4 -4,-0.2 -1,-0.3 0.379 85.7 165.5 -95.8 4.5 45.9 -13.0 38.1 261 261 A K T < + 0 0 137 -3,-1.4 -29,-0.1 1,-0.3 -3,-0.0 -0.320 57.4 20.7 -61.1 144.9 43.3 -15.7 38.7 262 262 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.812 129.6 45.2 -99.2 30.7 41.6 -16.2 41.1 263 263 A W X> + 0 0 68 -3,-2.4 4,-1.8 1,-0.1 3,-0.9 -0.111 63.0 135.5-121.7 36.7 42.0 -12.6 42.3 264 264 A R H 3> + 0 0 27 1,-0.3 4,-2.8 2,-0.2 -32,-0.3 0.855 68.7 62.6 -53.1 -36.6 41.5 -10.7 39.1 265 265 A S H 3> S+ 0 0 0 -34,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.901 106.3 44.6 -56.0 -43.5 39.2 -8.2 40.8 266 266 A Y H <> S+ 0 0 3 -3,-0.9 4,-2.0 -35,-0.7 -1,-0.2 0.871 110.6 53.3 -70.1 -38.1 42.1 -7.1 43.0 267 267 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.927 106.1 55.5 -61.3 -42.5 44.6 -6.9 40.1 268 268 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.929 107.6 48.4 -53.9 -49.9 42.1 -4.7 38.3 269 269 A L H X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.864 109.9 51.5 -60.0 -39.9 42.1 -2.3 41.3 270 270 A H H < S+ 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.859 111.0 48.4 -66.4 -36.3 45.9 -2.2 41.5 271 271 A I H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 6,-0.2 0.933 107.6 53.5 -70.3 -46.9 46.1 -1.4 37.8 272 272 A W H 3< S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.879 116.4 42.4 -53.9 -36.9 43.6 1.4 38.0 273 273 A Y T 3< S+ 0 0 66 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.058 89.7 90.1-103.8 26.2 45.7 2.8 40.7 274 274 A T X - 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0 0 55 -2,-0.2 4,-2.8 1,-0.1 3,-0.3 -0.689 35.0-113.3 -98.4 152.5 26.3 -30.4 -6.1 411 128 B V H > S+ 0 0 64 -2,-0.3 4,-1.9 1,-0.3 -1,-0.1 0.922 119.7 48.5 -43.5 -55.0 23.0 -30.1 -7.9 412 129 B A H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.857 111.6 49.0 -55.6 -42.2 23.5 -33.7 -9.1 413 130 B M H > S+ 0 0 90 -3,-0.3 4,-3.4 2,-0.2 5,-0.2 0.931 107.6 52.7 -67.2 -46.0 24.4 -35.0 -5.7 414 131 B A H X S+ 0 0 13 -4,-2.8 4,-3.7 1,-0.2 5,-0.2 0.878 107.6 55.2 -55.9 -38.9 21.5 -33.4 -3.8 415 132 B A H X S+ 0 0 16 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.923 113.1 38.7 -61.3 -48.7 19.2 -35.1 -6.4 416 133 B K H X S+ 0 0 104 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.876 117.7 51.1 -71.5 -36.2 20.5 -38.6 -5.7 417 134 B L H X S+ 0 0 15 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.954 112.2 45.5 -65.5 -47.9 20.8 -37.9 -2.0 418 135 B T H X S+ 0 0 4 -4,-3.7 4,-2.7 1,-0.2 -1,-0.2 0.881 109.1 57.1 -60.6 -40.2 17.2 -36.6 -1.9 419 136 B A H X S+ 0 0 11 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.878 102.3 54.3 -59.3 -40.2 16.0 -39.6 -3.9 420 137 B R H X S+ 0 0 118 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.911 111.6 45.8 -60.2 -41.2 17.5 -42.0 -1.4 421 138 B V H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.900 110.2 53.3 -67.4 -42.7 15.4 -40.2 1.3 422 139 B A H >X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 3,-0.6 0.951 114.2 42.4 -56.7 -49.8 12.3 -40.2 -0.9 423 140 B Q H 3< S+ 0 0 140 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.909 112.0 52.2 -64.0 -47.0 12.6 -43.9 -1.4 424 141 B L H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.635 127.9 20.3 -67.2 -16.0 13.4 -44.8 2.2 425 142 B Y H << S+ 0 0 22 -4,-1.2 15,-0.4 -3,-0.6 -1,-0.2 0.221 100.8 109.9-139.7 17.3 10.5 -42.9 3.6 426 143 B G < - 0 0 11 -4,-1.0 2,-0.5 -3,-0.5 12,-0.2 -0.110 63.0-112.3 -93.4-173.5 7.9 -42.4 0.8 427 144 B E E -K 437 0D 79 10,-1.3 10,-3.4 -2,-0.0 2,-0.5 -0.980 27.6-144.5-117.5 127.0 4.5 -43.5 -0.3 428 145 B R E -K 436 0D 153 -2,-0.5 2,-0.3 8,-0.3 8,-0.2 -0.809 17.5-124.8 -96.0 131.5 4.3 -45.6 -3.5 429 146 B L - 0 0 5 6,-2.4 6,-0.3 -2,-0.5 3,-0.3 -0.590 10.6-150.5 -74.7 132.4 1.3 -45.0 -5.8 430 147 B D S S+ 0 0 156 -2,-0.3 -1,-0.2 1,-0.2 -101,-0.0 0.892 96.7 47.9 -70.5 -38.0 -0.6 -48.2 -6.4 431 148 B D S S+ 0 0 82 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.615 123.8 32.1 -78.3 -11.3 -1.8 -47.1 -9.9 432 149 B F S > S- 0 0 78 -3,-0.3 3,-2.6 3,-0.2 -3,-0.5 -0.502 71.3-175.9-148.4 71.1 1.7 -45.9 -10.9 433 150 B P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.610 78.8 60.3 -40.3 -33.8 4.3 -48.2 -9.2 434 151 B E T 3 S+ 0 0 133 -6,-0.1 2,-0.4 2,-0.0 -6,-0.0 0.518 94.8 81.6 -82.9 1.2 7.4 -46.3 -10.5 435 152 B Y < - 0 0 33 -3,-2.6 -6,-2.4 -6,-0.3 2,-0.4 -0.891 56.8-173.2-110.9 131.8 6.2 -43.2 -8.7 436 153 B I E -K 428 0D 13 -127,-3.2 -115,-0.3 -2,-0.4 -8,-0.3 -0.980 24.4-124.4-125.2 127.7 6.7 -42.4 -5.0 437 154 B C E -K 427 0D 2 -10,-3.4 -10,-1.3 -2,-0.4 3,-0.1 -0.415 40.5 -97.1 -66.3 142.0 5.2 -39.4 -3.1 438 155 B F - 0 0 19 -12,-0.2 -1,-0.1 1,-0.1 -16,-0.1 -0.267 56.7 -80.8 -58.2 146.0 7.7 -37.2 -1.3 439 156 B P - 0 0 4 0, 0.0 -13,-0.2 0, 0.0 -1,-0.1 -0.200 45.6-127.7 -52.5 131.7 8.0 -38.1 2.5 440 157 B T > - 0 0 45 -15,-0.4 4,-2.0 -3,-0.1 5,-0.2 -0.338 23.1-109.0 -78.0 161.4 5.4 -36.6 4.8 441 158 B P H > S+ 0 0 26 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.893 118.0 54.8 -58.5 -37.7 6.3 -34.6 7.9 442 159 B Q H >> S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 3,-1.1 0.988 107.5 46.9 -57.4 -62.7 5.0 -37.4 10.1 443 160 B R H 34 S+ 0 0 110 1,-0.3 -1,-0.2 2,-0.2 -17,-0.1 0.881 117.1 43.1 -46.8 -50.5 7.2 -40.1 8.5 444 161 B L H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 -1,-0.3 0.690 108.3 59.7 -72.1 -19.5 10.4 -37.9 8.6 445 162 B A H << S+ 0 0 20 -4,-1.5 -1,-0.2 -3,-1.1 -2,-0.2 0.913 109.5 43.5 -72.9 -40.9 9.6 -36.7 12.1 446 163 B A T 3< S+ 0 0 92 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 0.010 91.0 124.7 -91.6 26.7 9.7 -40.3 13.3 447 164 B A S < S- 0 0 7 -3,-0.8 -3,-0.1 -5,-0.1 -22,-0.0 -0.684 70.0-108.7 -92.7 143.5 12.9 -41.1 11.3 448 165 B D > - 0 0 92 -2,-0.3 4,-1.1 1,-0.2 3,-0.4 -0.542 23.5-135.9 -68.5 120.7 16.0 -42.5 12.9 449 166 B P T 4 S+ 0 0 50 0, 0.0 4,-0.3 0, 0.0 13,-0.2 0.386 103.6 46.3 -60.4 6.3 18.6 -39.8 12.9 450 167 B Q T > S+ 0 0 102 2,-0.2 4,-3.0 3,-0.1 5,-0.1 0.693 96.7 64.1-116.5 -38.5 21.1 -42.4 11.7 451 168 B A H > S+ 0 0 35 -3,-0.4 4,-1.0 1,-0.2 -27,-0.0 0.768 110.9 47.0 -56.7 -23.2 19.2 -44.2 9.0 452 169 B L H X S+ 0 0 0 -4,-1.1 4,-0.7 2,-0.2 5,-0.4 0.905 105.9 52.0 -83.3 -51.2 19.5 -40.8 7.4 453 170 B K H >> S+ 0 0 87 -4,-0.3 4,-1.6 1,-0.2 3,-1.3 0.889 106.8 62.1 -52.2 -35.4 23.1 -40.1 8.0 454 171 B A H 3< S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.938 90.0 62.2 -53.3 -57.4 23.5 -43.5 6.4 455 172 B L H 3< S- 0 0 32 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.654 135.5 -73.8 -47.5 -19.7 22.0 -42.5 3.0 456 173 B G H << S+ 0 0 45 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.2 0.720 94.4 105.1 127.2 41.7 24.9 -40.1 2.7 457 174 B M < - 0 0 9 -4,-1.6 -1,-0.3 -5,-0.4 5,-0.1 -0.974 64.1-101.1-145.0 156.7 24.7 -37.0 5.0 458 175 B P > - 0 0 67 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.233 39.0-106.6 -59.6-167.8 26.3 -35.6 8.2 459 176 B L H >> S+ 0 0 71 2,-0.2 4,-1.9 1,-0.1 3,-0.9 0.882 119.2 52.1 -92.7 -47.4 24.5 -35.8 11.5 460 177 B K H 3> S+ 0 0 180 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.616 106.0 62.7 -63.1 -7.7 23.6 -32.2 11.9 461 178 B R H 3> S+ 0 0 38 2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.863 106.4 39.3 -82.1 -42.1 22.1 -32.7 8.5 462 179 B A H X S+ 0 0 71 -4,-3.0 4,-2.7 2,-0.2 3,-0.6 0.974 113.0 49.5 -68.4 -52.7 13.6 -30.7 13.3 468 185 B L H 3X S+ 0 0 2 -4,-3.3 4,-2.5 1,-0.3 -2,-0.2 0.875 108.0 56.3 -50.4 -43.1 12.0 -29.2 10.2 469 186 B A H 3X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.3 0.889 108.3 45.1 -61.2 -40.4 9.7 -32.1 10.0 470 187 B N H S+ 0 0 4 -4,-2.7 5,-2.4 1,-0.2 4,-2.2 0.942 109.3 47.2 -49.7 -49.3 8.1 -27.8 12.8 472 189 B A H <5S+ 0 0 12 -4,-2.5 294,-0.6 1,-0.2 -1,-0.2 0.883 105.7 57.9 -60.9 -42.5 5.8 -28.8 9.9 473 190 B L H <5S+ 0 0 19 -4,-2.0 294,-2.7 1,-0.2 298,-0.2 0.891 116.3 34.7 -55.3 -42.7 3.7 -31.2 11.9 474 191 B E H <5S- 0 0 51 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.720 115.8-107.7 -86.6 -25.1 2.8 -28.5 14.4 475 192 B G T <5S+ 0 0 12 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.682 80.6 123.5 104.8 21.1 2.6 -25.5 12.0 476 193 B T < + 0 0 70 -5,-2.4 -4,-0.2 -6,-0.2 -5,-0.1 0.652 60.1 75.8 -85.5 -19.1 5.7 -23.6 12.9 477 194 B L S S- 0 0 4 -6,-0.6 2,-0.2 -9,-0.1 -80,-0.1 -0.847 92.3-121.5 -95.3 112.3 7.1 -23.7 9.3 478 195 B P - 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0 0 33 -2,-0.6 4,-2.6 -3,-0.1 5,-0.2 -0.498 53.3 -79.2-114.2-174.0 3.7 -26.1 44.9 1066 217 D R H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.928 127.6 51.8 -56.1 -45.8 1.8 -23.4 46.7 1067 218 D W H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 112.9 45.6 -57.6 -41.9 2.3 -24.9 50.2 1068 219 D T H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 114.2 47.6 -67.4 -44.1 6.1 -25.2 49.6 1069 220 D A H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.954 112.7 48.6 -61.4 -51.7 6.3 -21.6 48.2 1070 221 D N H X S+ 0 0 7 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.954 115.2 44.8 -51.7 -52.9 4.3 -20.2 51.1 1071 222 D Y H X S+ 0 0 21 -4,-2.3 4,-2.2 -5,-0.3 5,-0.4 0.857 111.7 52.8 -62.9 -37.5 6.4 -22.0 53.6 1072 223 D F H X>S+ 0 0 8 -4,-2.7 4,-3.4 2,-0.2 5,-0.9 0.950 110.1 47.9 -64.0 -47.4 9.6 -21.1 51.9 1073 224 D A H X>S+ 0 0 0 -4,-3.1 6,-2.5 3,-0.2 4,-1.0 0.908 111.3 52.0 -57.4 -44.4 8.7 -17.4 51.9 1074 225 D L H <5S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.920 128.2 17.2 -60.7 -47.3 7.8 -17.6 55.6 1075 226 D R H <5S+ 0 0 9 -4,-2.2 -2,-0.2 3,-0.2 -3,-0.2 0.832 128.3 47.6 -96.3 -38.7 11.0 -19.2 56.8 1076 227 D G H <5S+ 0 0 3 -4,-3.4 -3,-0.2 -5,-0.4 -2,-0.1 0.818 131.8 19.4 -73.7 -35.0 13.5 -18.6 53.9 1077 228 D W T < + 0 0 0 -2,-0.3 3,-1.7 1,-0.1 6,-0.2 -0.628 31.3 164.4-119.8 75.3 -0.6 -21.5 54.9 1085 236 D P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.643 77.5 55.5 -62.6 -16.9 -4.2 -22.3 54.1 1086 237 D D T 3 S+ 0 0 37 -3,-0.1 2,-0.1 4,-0.1 -19,-0.1 0.383 81.6 121.1 -97.5 0.6 -3.1 -25.6 52.4 1087 238 D D <> - 0 0 15 -3,-1.7 4,-2.4 1,-0.1 5,-0.2 -0.397 67.8-128.2 -70.3 143.8 -1.2 -26.9 55.5 1088 239 D Y H > S+ 0 0 181 2,-0.2 4,-1.2 1,-0.2 3,-0.1 0.949 108.7 38.4 -52.3 -60.8 -2.3 -30.2 57.0 1089 240 D L H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.895 112.5 58.7 -62.4 -40.8 -2.6 -28.9 60.6 1090 241 D I H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.906 100.9 55.1 -56.8 -43.4 -4.1 -25.6 59.4 1091 242 D K H < S+ 0 0 89 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.876 108.5 49.5 -57.4 -38.0 -7.0 -27.5 57.7 1092 243 D Q H < S+ 0 0 103 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.816 105.8 55.4 -71.1 -31.4 -7.8 -29.2 61.0 1093 244 D R H < S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 113.0 43.8 -72.2 -26.5 -7.8 -25.9 62.9 1094 245 D F S >< S- 0 0 0 -4,-1.4 3,-2.2 -5,-0.2 -1,-0.3 -0.591 95.2-152.1-116.1 66.9 -10.4 -24.6 60.4 1095 246 D P T 3 S- 0 0 91 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.080 72.7 -3.8 -43.4 124.0 -12.7 -27.7 60.3 1096 247 D G T 3 S+ 0 0 83 1,-0.2 2,-0.2 -5,-0.2 -4,-0.1 0.333 99.1 130.3 74.1 -7.9 -14.5 -28.0 57.0 1097 248 D M < - 0 0 55 -3,-2.2 -1,-0.2 -6,-0.3 -3,-0.1 -0.533 53.1-128.3 -82.6 148.1 -13.2 -24.7 55.5 1098 249 D T >> - 0 0 69 -2,-0.2 4,-2.8 -3,-0.1 3,-0.6 -0.511 30.8-100.5 -89.3 158.9 -11.7 -24.5 52.1 1099 250 D P H 3> S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.885 124.8 49.2 -43.9 -46.7 -8.3 -22.9 51.3 1100 251 D A H 3> S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.853 111.2 48.3 -64.9 -37.7 -10.1 -19.7 50.1 1101 252 D Q H <> S+ 0 0 96 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.971 112.6 48.1 -65.1 -53.8 -12.3 -19.5 53.2 1102 253 D I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 -2,-0.2 0.931 114.7 47.1 -50.1 -50.9 -9.3 -20.0 55.5 1103 254 D R H X S+ 0 0 90 -4,-2.8 4,-0.5 -5,-0.3 -1,-0.3 0.883 109.4 53.0 -61.4 -39.5 -7.5 -17.4 53.5 1104 255 D R H >< S+ 0 0 173 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.966 112.3 46.2 -60.0 -48.7 -10.5 -15.0 53.7 1105 256 D Y H >< S+ 0 0 19 -4,-3.1 3,-2.1 1,-0.3 -2,-0.2 0.921 104.2 60.0 -58.2 -49.3 -10.5 -15.4 57.4 1106 257 D A H >< S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.3 -1,-0.3 0.571 83.5 83.5 -59.5 -9.0 -6.8 -14.9 57.9 1107 258 D E G X< S+ 0 0 91 -3,-1.3 3,-0.9 -4,-0.5 -1,-0.3 0.647 73.4 75.1 -70.6 -13.0 -7.1 -11.5 56.4 1108 259 D R G < S+ 0 0 106 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.550 95.6 49.9 -75.4 -6.1 -8.1 -10.2 59.8 1109 260 D W G X S+ 0 0 21 -3,-1.6 3,-2.8 -4,-0.1 -1,-0.2 0.385 86.0 162.9-114.5 3.4 -4.5 -10.4 60.8 1110 261 D K T < + 0 0 145 -3,-0.9 -29,-0.1 1,-0.3 -3,-0.0 -0.330 59.7 29.8 -55.1 145.7 -2.8 -8.6 58.0 1111 262 D P T 3 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.814 127.1 43.2 -97.2 29.7 -0.0 -7.5 58.1 1112 263 D W X> + 0 0 62 -3,-2.8 4,-2.4 1,-0.1 3,-0.7 -0.131 62.5 136.3-123.4 38.4 1.2 -10.2 60.5 1113 264 D R H 3> S+ 0 0 43 1,-0.3 4,-2.5 2,-0.2 -32,-0.3 0.800 70.6 61.1 -55.7 -29.1 -0.4 -13.3 59.1 1114 265 D S H 3> S+ 0 0 0 -34,-2.4 4,-1.7 2,-0.2 -1,-0.3 0.909 107.6 42.7 -66.6 -40.2 2.9 -15.1 59.6 1115 266 D Y H <> S+ 0 0 3 -3,-0.7 4,-2.0 -35,-0.7 5,-0.2 0.930 111.5 55.9 -70.1 -39.6 2.8 -14.6 63.3 1116 267 D A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 107.3 51.5 -53.8 -44.9 -1.0 -15.4 63.3 1117 268 D L H X S+ 0 0 0 -4,-2.5 4,-2.5 -35,-0.3 -1,-0.2 0.878 107.1 49.9 -60.6 -44.9 -0.0 -18.7 61.7 1118 269 D L H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.840 111.7 49.3 -67.0 -32.1 2.6 -19.7 64.2 1119 270 D H H < S+ 0 0 3 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.912 113.7 45.0 -72.3 -43.0 0.2 -19.0 67.1 1120 271 D I H >< S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.2 6,-0.2 0.868 111.7 54.4 -67.8 -36.3 -2.6 -21.0 65.5 1121 272 D W H 3< S+ 0 0 23 -4,-2.5 2,-0.2 1,-0.3 -2,-0.2 0.925 111.6 43.6 -63.4 -44.0 -0.1 -23.8 64.7 1122 273 D Y T 3< S+ 0 0 76 -4,-1.9 -1,-0.3 -5,-0.2 2,-0.3 -0.157 95.2 87.2 -99.1 44.0 1.0 -24.1 68.3 1123 274 D T X - 0 0 44 -3,-1.1 3,-1.9 -2,-0.2 -1,-0.1 -0.723 67.1-152.8-141.3 84.1 -2.4 -23.9 69.9 1124 275 D E T 3 S+ 0 0 165 1,-0.3 -2,-0.1 -2,-0.3 -3,-0.0 -0.326 83.7 19.4 -55.6 133.6 -4.0 -27.3 70.1 1125 276 D G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.570 83.9 150.4 82.0 6.4 -7.8 -26.9 70.1 1126 277 D W < - 0 0 43 -3,-1.9 -1,-0.3 -6,-0.2 -3,-0.1 -0.463 21.7-176.7 -69.8 147.6 -7.8 -23.5 68.6 1127 278 D Q - 0 0 148 -2,-0.1 -33,-0.1 -33,-0.1 -34,-0.1 -0.993 25.3-105.7-147.7 148.1 -11.0 -22.9 66.5 1128 279 D P - 0 0 22 0, 0.0 -34,-0.0 0, 0.0 -23,-0.0 -0.237 39.0-107.7 -69.7 159.9 -12.3 -20.0 64.3 1129 280 D D - 0 0 114 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.047 31.9 -96.8 -79.4-174.2 -15.1 -17.7 65.4 1130 281 D E 0 0 192 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.256 360.0 360.0 -85.1 8.9 -18.7 -17.4 64.3 1131 282 D A 0 0 118 -26,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.343 360.0 360.0 -63.8 360.0 -17.4 -14.6 62.0