==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-FEB-05 1YVK . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN BSU33890; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS . AUTHOR F.FOROUHAR,W.YONG,R.XIAO,M.CIANO,T.B.ACTON,G.T.MONTELIONE, . 608 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 81.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 27.5 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 79 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 3 0 0 0 4 8 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 3 4 4 0 12 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 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 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 5 A K 0 0 212 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -74.1 34.5 122.3 170.2 2 6 A L - 0 0 17 1,-0.1 2,-0.8 40,-0.1 40,-0.2 -0.114 360.0-133.1 -46.7 135.1 36.3 119.0 170.9 3 7 A R E -A 41 0A 104 38,-3.1 38,-3.5 2,-0.0 2,-0.4 -0.857 25.2-168.3-100.2 109.2 34.2 116.5 172.9 4 8 A I E +A 40 0A 35 -2,-0.8 2,-0.3 36,-0.3 36,-0.3 -0.819 12.6 163.1-102.6 134.4 36.2 115.0 175.7 5 9 A E E -A 39 0A 71 34,-3.0 34,-3.1 -2,-0.4 -2,-0.0 -0.971 41.3 -82.1-147.0 158.0 35.2 112.1 177.8 6 10 A L E -A 38 0A 93 -2,-0.3 2,-0.4 32,-0.2 32,-0.2 -0.094 42.8-150.1 -54.9 155.6 36.6 109.5 180.2 7 11 A G + 0 0 12 30,-1.7 30,-0.5 1,-0.1 3,-0.1 -0.979 33.9 155.2-135.9 147.8 38.2 106.4 178.7 8 12 A E + 0 0 141 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.433 61.5 75.3-142.1 -17.4 38.6 102.9 179.9 9 13 A E - 0 0 137 2,-0.0 2,-0.5 5,-0.0 -1,-0.2 -0.917 61.7-158.7-111.6 117.0 39.0 100.8 176.7 10 14 A T + 0 0 57 -2,-0.6 2,-0.3 -3,-0.1 3,-0.0 -0.796 18.4 167.6 -96.1 130.0 42.4 101.0 174.9 11 15 A N >> - 0 0 72 -2,-0.5 4,-2.4 1,-0.0 3,-1.5 -0.890 51.9 -92.3-135.3 164.4 42.5 100.0 171.2 12 16 A D H 3> S+ 0 0 133 -2,-0.3 4,-1.7 1,-0.3 -1,-0.0 0.840 123.9 57.4 -45.4 -41.6 45.0 100.3 168.4 13 17 A E H 3> S+ 0 0 99 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.862 112.2 41.2 -60.8 -35.7 43.5 103.6 167.3 14 18 A L H X> S+ 0 0 8 -3,-1.5 4,-2.0 2,-0.2 3,-1.0 0.897 109.5 55.7 -79.6 -43.5 44.1 105.1 170.8 15 19 A Y H 3X S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.808 97.8 67.5 -58.3 -29.3 47.6 103.6 171.4 16 20 A D H 3< S+ 0 0 100 -4,-1.7 -1,-0.3 -5,-0.3 4,-0.3 0.892 106.4 39.0 -58.1 -40.6 48.6 105.3 168.2 17 21 A L H XX S+ 0 0 6 -3,-1.0 3,-1.8 -4,-0.6 4,-1.0 0.941 114.1 51.3 -74.4 -51.6 48.2 108.6 169.9 18 22 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.3 3,-0.3 0.810 109.7 53.0 -56.5 -31.3 49.6 107.7 173.3 19 23 A L H 3< S+ 0 0 58 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.607 93.7 70.6 -80.6 -13.0 52.6 106.3 171.5 20 24 A L H <4 S+ 0 0 83 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.888 113.3 28.7 -68.5 -37.5 53.1 109.6 169.6 21 25 A A H < S+ 0 0 52 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.936 132.4 30.7 -86.0 -59.5 54.2 111.1 172.9 22 26 A D < - 0 0 28 -4,-2.1 -1,-0.3 1,-0.2 6,-0.1 -0.875 63.9-169.5-107.5 106.4 55.6 108.2 174.8 23 27 A P + 0 0 84 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.927 66.9 87.3 -56.9 -48.3 57.2 105.6 172.5 24 28 A S > - 0 0 38 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.384 59.1-168.9 -59.5 101.9 57.6 103.0 175.3 25 29 A K H > S+ 0 0 87 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.817 83.6 61.4 -63.0 -30.7 54.3 101.1 175.3 26 30 A D H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.991 105.6 42.3 -58.8 -62.8 55.4 99.5 178.5 27 31 A I H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.845 111.3 59.5 -53.1 -36.5 55.6 102.7 180.5 28 32 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.957 103.0 49.4 -58.6 -51.7 52.4 103.8 178.9 29 33 A D H X S+ 0 0 59 -4,-2.3 4,-1.5 -3,-0.3 5,-0.2 0.850 105.9 60.5 -56.5 -35.9 50.4 100.9 180.2 30 34 A E H >X S+ 0 0 67 -4,-1.6 4,-2.1 1,-0.2 3,-0.5 0.978 116.8 27.1 -56.1 -63.3 51.8 101.5 183.7 31 35 A Y H 3X S+ 0 0 1 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.669 111.5 70.9 -75.6 -16.1 50.4 105.0 184.1 32 36 A L H 3< S+ 0 0 25 -4,-2.2 5,-0.2 -5,-0.3 -1,-0.2 0.858 111.8 31.8 -66.6 -33.4 47.6 104.3 181.7 33 37 A E H << S+ 0 0 154 -4,-1.5 -2,-0.2 -3,-0.5 -3,-0.1 0.942 122.7 43.4 -86.8 -61.2 46.2 102.1 184.5 34 38 A R H < S+ 0 0 61 -4,-2.1 20,-0.3 -5,-0.2 2,-0.2 0.660 118.6 58.1 -61.0 -15.3 47.3 103.8 187.7 35 39 A G S < S- 0 0 6 -4,-1.2 2,-0.6 -5,-0.2 18,-0.2 -0.620 91.8-101.2-113.6 173.2 46.3 107.1 186.0 36 40 A E E - B 0 52A 92 16,-2.7 16,-3.4 -2,-0.2 2,-0.6 -0.844 31.9-159.5 -98.3 122.3 43.2 108.6 184.5 37 41 A C E - B 0 51A 7 -2,-0.6 -30,-1.7 -30,-0.5 2,-0.3 -0.886 7.5-171.5-105.4 120.5 43.0 108.5 180.7 38 42 A Y E -AB 6 50A 33 12,-2.8 12,-2.0 -2,-0.6 2,-0.4 -0.844 6.7-154.5-109.5 146.1 40.6 110.9 178.8 39 43 A T E -AB 5 49A 6 -34,-3.1 -34,-3.0 -2,-0.3 2,-0.5 -0.963 2.8-150.9-122.5 140.0 39.8 110.9 175.1 40 44 A A E -AB 4 48A 1 8,-2.5 8,-1.6 -2,-0.4 7,-1.0 -0.937 13.1-168.1-113.0 124.4 38.7 113.7 173.0 41 45 A W E -AB 3 46A 93 -38,-3.5 -38,-3.1 -2,-0.5 2,-0.5 -0.879 17.5-158.6-114.3 145.4 36.5 113.1 169.9 42 46 A A E > S- B 0 45A 41 3,-2.2 2,-0.9 -2,-0.4 3,-0.7 -0.739 78.5 -49.4-118.6 76.0 35.6 115.5 167.1 43 47 A G T 3 S- 0 0 50 -2,-0.5 -2,-0.1 1,-0.2 3,-0.0 -0.838 119.5 -27.1 98.8-102.2 32.5 113.9 165.8 44 48 A D T 3 S+ 0 0 168 -2,-0.9 2,-0.3 2,-0.0 -1,-0.2 0.361 118.2 96.3-125.0 -6.8 33.2 110.2 165.3 45 49 A E E < S-B 42 0A 83 -3,-0.7 -3,-2.2 1,-0.1 2,-1.2 -0.690 82.6-115.9 -91.8 140.1 36.9 110.7 164.7 46 50 A L E +B 41 0A 8 -2,-0.3 -5,-0.2 -5,-0.2 22,-0.2 -0.634 37.0 178.2 -76.0 98.9 39.4 110.2 167.6 47 51 A A E - 0 0 0 -2,-1.2 21,-2.9 -7,-1.0 2,-0.2 0.995 51.5 -42.6 -66.2 -67.4 40.9 113.8 167.8 48 52 A G E -BC 40 67A 0 -8,-1.6 -8,-2.5 19,-0.2 2,-0.3 -0.825 47.8-141.6-150.4-169.2 43.4 113.4 170.7 49 53 A V E -BC 39 66A 0 17,-2.3 17,-2.5 -2,-0.2 2,-0.3 -0.986 8.7-175.2-160.4 157.7 44.0 112.0 174.2 50 54 A Y E -BC 38 65A 0 -12,-2.0 -12,-2.8 -2,-0.3 2,-0.4 -0.971 14.6-141.9-159.3 146.0 45.7 112.9 177.5 51 55 A V E -BC 37 64A 0 13,-2.5 13,-0.9 -2,-0.3 2,-0.7 -0.936 4.3-153.7-117.0 134.4 46.4 111.1 180.8 52 56 A L E -BC 36 62A 5 -16,-3.4 -16,-2.7 -2,-0.4 2,-0.3 -0.898 18.5-178.4-106.8 108.6 46.2 112.5 184.3 53 57 A L E - C 0 61A 0 8,-2.5 8,-3.1 -2,-0.7 2,-0.6 -0.817 25.4-127.5-105.5 145.1 48.5 110.7 186.8 54 58 A K E + C 0 60A 76 -2,-0.3 6,-0.2 -20,-0.3 459,-0.1 -0.832 37.5 162.7 -95.4 122.2 48.7 111.6 190.5 55 59 A T + 0 0 0 4,-1.5 -1,-0.1 -2,-0.6 3,-0.1 0.631 52.1 15.6-100.7-107.1 52.3 112.1 191.6 56 60 A R S > S- 0 0 20 1,-0.2 3,-2.1 2,-0.1 -1,-0.3 -0.165 103.5 -69.0 -65.4 165.7 53.3 113.9 194.8 57 61 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.309 123.8 2.3 -56.7 138.3 50.7 114.5 197.5 58 62 A Q T 3 S+ 0 0 54 1,-0.2 36,-3.5 428,-0.1 37,-1.5 0.557 115.4 111.7 58.7 7.5 48.1 117.1 196.4 59 63 A T E < - d 0 95A 17 -3,-2.1 -4,-1.5 34,-0.2 2,-0.4 -0.946 45.0-175.8-119.3 130.1 50.0 117.1 193.0 60 64 A V E -Cd 54 96A 1 35,-2.2 37,-2.5 -2,-0.4 2,-0.3 -0.941 7.2-158.5-124.4 145.4 48.8 115.8 189.7 61 65 A E E -Cd 53 97A 14 -8,-3.1 -8,-2.5 -2,-0.4 2,-1.6 -0.925 25.2-126.7-127.8 148.1 50.7 115.6 186.3 62 66 A I E +C 52 0A 5 35,-2.4 37,-0.3 -2,-0.3 -10,-0.2 -0.674 31.5 178.7 -88.6 83.5 49.9 115.3 182.7 63 67 A V E + 0 0 23 -2,-1.6 2,-0.3 -12,-0.6 -1,-0.2 0.597 66.5 11.8 -62.1 -12.6 52.0 112.2 182.0 64 68 A N E +C 51 0A 6 -13,-0.9 -13,-2.5 -3,-0.1 2,-0.3 -0.900 58.8 167.6-168.4 135.7 50.9 112.2 178.4 65 69 A I E +C 50 0A 25 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.973 13.1 158.2-151.9 136.8 49.1 114.3 175.8 66 70 A A E -C 49 0A 13 -17,-2.5 -17,-2.3 -2,-0.3 2,-0.4 -0.989 22.3-153.4-156.6 159.3 48.7 114.0 172.0 67 71 A V E -C 48 0A 12 -2,-0.3 -19,-0.2 -19,-0.2 5,-0.2 -0.999 41.2 -92.8-139.6 136.7 46.6 115.0 169.0 68 72 A K >> - 0 0 46 -21,-2.9 3,-2.9 -2,-0.4 4,-1.4 -0.187 35.1-129.5 -48.8 126.9 46.2 113.2 165.7 69 73 A E G >4 S+ 0 0 137 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.890 108.2 56.3 -48.0 -45.2 48.8 114.6 163.3 70 74 A S G 34 S+ 0 0 87 1,-0.2 -1,-0.3 -23,-0.0 -2,-0.1 0.427 118.5 34.5 -70.6 5.4 46.1 115.2 160.7 71 75 A L G X4 S+ 0 0 19 -3,-2.9 3,-0.6 -24,-0.1 5,-0.4 0.388 93.7 103.7-135.3 -7.9 44.2 117.3 163.2 72 76 A Q T << + 0 0 69 -4,-1.4 -4,-0.0 -3,-0.7 -24,-0.0 -0.322 65.6 46.3 -77.6 167.2 46.9 119.0 165.2 73 77 A K T 3 S+ 0 0 144 -2,-0.0 -1,-0.2 1,-0.0 -4,-0.0 0.572 87.2 97.8 78.2 11.2 47.8 122.6 164.8 74 78 A K S < S- 0 0 155 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.385 108.5 -93.5-107.5 0.9 44.1 123.5 164.8 75 79 A G S > S+ 0 0 40 -4,-0.0 4,-1.5 3,-0.0 -3,-0.1 0.466 95.0 116.7 103.4 1.2 44.0 124.4 168.4 76 80 A F H > S+ 0 0 14 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.801 70.6 64.5 -71.3 -28.6 43.0 121.1 169.9 77 81 A G H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.980 103.3 44.5 -56.6 -58.5 46.2 121.0 171.8 78 82 A K H > S+ 0 0 105 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.891 110.1 57.0 -53.3 -44.0 45.4 124.0 173.9 79 83 A Q H X S+ 0 0 57 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.898 107.3 47.7 -56.5 -43.3 41.8 122.7 174.5 80 84 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 -3,-0.4 5,-0.2 0.942 112.7 47.9 -64.1 -47.3 43.2 119.5 176.0 81 85 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.950 113.5 46.6 -57.8 -52.6 45.7 121.3 178.2 82 86 A L H X S+ 0 0 71 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.762 114.9 49.9 -61.2 -26.1 43.1 123.7 179.5 83 87 A D H >X S+ 0 0 32 -4,-1.4 4,-2.4 -5,-0.3 3,-0.6 0.884 105.2 54.1 -79.3 -43.4 40.7 120.7 180.0 84 88 A A H 3X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.3 -2,-0.2 0.859 104.8 57.8 -59.5 -31.1 43.3 118.7 181.9 85 89 A I H 3X S+ 0 0 10 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.3 0.865 107.1 46.7 -68.3 -31.5 43.5 121.7 184.2 86 90 A E H S+ 0 0 0 -4,-2.0 5,-1.5 -5,-0.3 -1,-0.2 0.822 105.9 53.4 -67.6 -33.3 42.7 118.5 187.9 89 93 A K H ><5S+ 0 0 104 -4,-1.3 3,-2.9 1,-0.2 -2,-0.2 0.974 108.1 47.5 -65.8 -54.6 40.8 121.1 189.8 90 94 A K H 3<5S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.681 102.6 66.6 -61.0 -15.1 37.8 118.9 190.5 91 95 A L T 3<5S- 0 0 73 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.465 112.7-122.3 -84.2 -0.3 40.3 116.3 191.6 92 96 A G T < 5 + 0 0 43 -3,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.571 57.2 156.0 72.0 10.3 41.2 118.7 194.4 93 97 A A < - 0 0 12 -5,-1.5 -1,-0.2 1,-0.1 -34,-0.2 -0.322 36.9-154.2 -67.9 152.0 44.8 118.8 193.4 94 98 A D S S+ 0 0 55 -36,-3.5 57,-3.4 1,-0.3 2,-0.4 0.804 77.5 22.2 -93.9 -38.5 46.8 121.9 194.5 95 99 A T E -dE 59 150A 11 -37,-1.5 -35,-2.2 55,-0.3 2,-0.4 -0.995 63.9-156.8-136.5 140.3 49.4 121.9 191.7 96 100 A I E -dE 60 149A 0 53,-2.3 53,-0.9 -2,-0.4 -35,-0.2 -0.942 16.1-168.3-117.6 136.7 49.5 120.4 188.3 97 101 A E E +dE 61 148A 17 -37,-2.5 -35,-2.4 -2,-0.4 2,-0.2 -0.682 15.6 165.3-120.6 173.6 52.7 119.5 186.4 98 102 A I E - E 0 147A 3 49,-1.5 49,-1.8 -2,-0.2 2,-0.3 -0.784 11.5-169.9 178.5 139.1 53.9 118.6 183.0 99 103 A G E + E 0 146A 19 -37,-0.3 2,-0.3 -2,-0.2 47,-0.2 -0.998 6.0 176.2-145.7 148.3 57.3 118.5 181.3 100 104 A T E - E 0 145A 15 45,-1.3 45,-2.7 -2,-0.3 2,-0.1 -0.850 42.5 -66.1-139.2 177.7 58.9 118.0 177.9 101 105 A G E > - E 0 144A 5 -2,-0.3 3,-2.5 43,-0.2 43,-0.2 -0.371 40.9-119.6 -70.2 143.5 62.3 118.1 176.3 102 106 A N T 3 S+ 0 0 6 41,-2.4 -1,-0.1 1,-0.3 42,-0.1 0.726 114.9 61.2 -50.7 -23.0 64.2 121.3 176.1 103 107 A S T 3 S+ 0 0 0 40,-0.3 2,-3.0 1,-0.2 -1,-0.3 0.739 76.6 93.1 -77.6 -24.7 64.1 120.9 172.3 104 108 A S <> + 0 0 8 -3,-2.5 4,-2.4 1,-0.2 5,-0.2 -0.345 47.3 162.3 -70.6 68.0 60.3 121.0 172.2 105 109 A I H > + 0 0 31 -2,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.883 68.8 55.5 -55.7 -44.4 60.1 124.7 171.6 106 110 A H H >> S+ 0 0 113 -3,-0.3 4,-2.2 1,-0.2 3,-0.7 0.940 111.0 43.0 -56.0 -51.2 56.5 124.6 170.4 107 111 A Q H 3> S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.909 103.8 64.3 -63.5 -42.5 55.3 123.0 173.6 108 112 A L H 3X S+ 0 0 14 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.822 111.5 40.5 -49.6 -30.6 57.4 125.2 175.8 109 113 A S H <>S+ 0 0 6 -4,-2.3 5,-2.0 1,-0.2 3,-1.1 0.883 112.1 50.7 -53.3 -44.3 52.0 125.1 178.0 112 116 A Q H ><5S+ 0 0 13 -4,-0.7 3,-2.3 -5,-0.5 -1,-0.2 0.899 104.3 58.5 -62.9 -38.4 53.1 128.6 179.2 113 117 A K H 3<5S+ 0 0 101 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.743 104.1 54.1 -62.6 -19.4 50.2 130.0 177.3 114 118 A C T <<5S- 0 0 12 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.257 132.2 -89.8 -98.6 13.2 48.0 127.8 179.4 115 119 A G T < 5S+ 0 0 28 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.193 80.6 139.7 105.6 -17.8 49.4 129.1 182.6 116 120 A F < - 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0 0 25 -4,-2.1 -1,-0.3 1,-0.2 6,-0.1 -0.887 64.1-169.0-107.6 106.4 68.3 146.2 177.9 176 27 B P + 0 0 86 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.911 66.9 87.8 -57.8 -45.6 66.0 149.2 178.1 177 28 B S > - 0 0 37 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.420 59.1-169.0 -61.1 101.3 67.8 150.7 181.1 178 29 B K H > S+ 0 0 89 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.825 83.5 61.2 -62.4 -31.2 70.6 152.8 179.6 179 30 B D H > S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.985 105.5 43.1 -58.8 -60.7 72.2 153.1 183.0 180 31 B I H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.844 110.9 59.2 -54.5 -35.9 72.8 149.4 183.5 181 32 B V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.955 103.2 49.3 -58.8 -52.8 74.0 149.2 179.9 182 33 B D H X S+ 0 0 59 -4,-2.3 4,-1.5 -3,-0.2 5,-0.3 0.851 105.8 60.6 -55.7 -36.7 76.8 151.7 180.5 183 34 B E H >X S+ 0 0 50 -4,-1.6 4,-2.2 1,-0.2 3,-0.7 0.984 117.3 26.9 -55.3 -64.1 77.9 149.8 183.6 184 35 B Y H 3X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.680 111.5 71.1 -74.8 -16.9 78.6 146.5 181.8 185 36 B L H 3< S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 5,-0.2 0.852 111.6 31.6 -66.3 -31.6 79.3 148.4 178.5 186 37 B E H << S+ 0 0 150 -4,-1.5 -2,-0.2 -3,-0.7 -3,-0.1 0.934 122.7 43.5 -87.8 -60.2 82.5 149.6 180.2 187 38 B R H < S+ 0 0 58 -4,-2.2 20,-0.3 -5,-0.3 2,-0.2 0.680 118.2 58.4 -61.5 -17.2 83.4 146.8 182.6 188 39 B G S < S- 0 0 6 -4,-1.4 2,-0.6 -5,-0.2 18,-0.2 -0.593 91.5-101.9-111.7 173.5 82.6 144.4 179.7 189 40 B E E - 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0 0 0 -7,-1.1 21,-2.8 -2,-1.1 2,-0.2 0.997 50.9 -42.9 -68.5 -68.2 74.0 144.9 161.7 201 52 B G E -IJ 193 220C 0 -8,-1.7 -8,-2.5 19,-0.2 2,-0.3 -0.811 48.4-141.5-149.5-169.0 74.1 143.9 165.3 202 53 B V E -IJ 192 219C 0 17,-2.4 17,-2.6 -2,-0.2 2,-0.3 -0.985 8.7-174.9-159.9 160.6 76.0 144.0 168.6 203 54 B Y E -IJ 191 218C 0 -12,-2.0 -12,-2.9 -2,-0.3 2,-0.4 -0.957 14.1-142.8-161.8 145.0 76.8 142.0 171.7 204 55 B V E -IJ 190 217C 0 13,-2.3 13,-0.9 -2,-0.3 2,-0.7 -0.927 4.9-153.7-116.3 136.0 78.7 142.4 175.0 205 56 B L E -IJ 189 215C 4 -16,-3.3 -16,-2.8 -2,-0.4 2,-0.4 -0.923 17.9-176.9-108.8 111.3 80.8 139.9 176.8 206 57 B L E - J 0 214C 0 8,-2.7 8,-3.1 -2,-0.7 2,-0.6 -0.841 24.5-127.9-107.1 144.5 80.9 140.6 180.6 207 58 B K E + J 0 213C 84 -2,-0.4 6,-0.2 -20,-0.3 153,-0.0 -0.828 37.5 162.9 -94.6 122.5 83.0 138.5 182.9 208 59 B T + 0 0 0 4,-1.4 -1,-0.1 -2,-0.6 3,-0.1 0.638 51.7 14.8-100.9-106.4 81.0 137.2 185.9 209 60 B R S > S- 0 0 28 1,-0.2 3,-2.3 2,-0.1 -1,-0.3 -0.206 103.8 -68.0 -67.1 165.9 82.0 134.3 188.2 210 61 B P T 3 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.268 123.7 2.0 -55.6 138.8 85.6 133.1 188.1 211 62 B Q T 3 S+ 0 0 83 1,-0.2 36,-3.3 -3,-0.1 37,-1.6 0.575 115.2 112.2 58.1 8.5 86.5 131.4 184.8 212 63 B T E < - k 0 248C 17 -3,-2.3 -4,-1.4 34,-0.2 2,-0.3 -0.947 44.8-176.2-119.1 132.2 82.9 132.3 183.8 213 64 B V E -Jk 207 249C 1 35,-2.3 37,-2.4 -2,-0.4 2,-0.3 -0.943 6.8-159.4-126.5 146.8 81.8 134.8 181.1 214 65 B E E -Jk 206 250C 13 -8,-3.1 -8,-2.7 -2,-0.3 2,-1.5 -0.944 25.3-126.4-129.7 148.2 78.3 135.9 180.2 215 66 B I E +J 205 0C 5 35,-2.3 37,-0.3 -2,-0.3 -10,-0.2 -0.685 30.9 179.0 -89.6 85.2 76.6 137.5 177.2 216 67 B V E + 0 0 21 -2,-1.5 2,-0.3 -12,-0.6 -1,-0.2 0.585 66.7 11.8 -64.4 -11.6 75.0 140.4 179.1 217 68 B N E +J 204 0C 5 -13,-0.9 -13,-2.3 -3,-0.1 2,-0.3 -0.899 58.8 167.7-168.4 137.4 73.5 141.7 175.9 218 69 B I E +J 203 0C 29 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.973 13.4 158.3-153.5 136.8 72.9 140.8 172.3 219 70 B A E -J 202 0C 13 -17,-2.6 -17,-2.4 -2,-0.3 2,-0.4 -0.994 22.5-153.1-158.4 159.2 70.8 142.4 169.5 220 71 B V E -J 201 0C 14 -2,-0.3 -19,-0.2 -19,-0.2 5,-0.2 -1.000 41.0 -92.9-140.3 136.0 70.3 142.7 165.8 221 72 B K >> - 0 0 46 -21,-2.8 3,-2.8 -2,-0.4 4,-1.2 -0.173 34.8-130.0 -48.2 126.2 68.7 145.5 163.8 222 73 B E G >4 S+ 0 0 136 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.885 108.1 56.5 -47.5 -45.6 65.0 144.7 163.4 223 74 B S G 34 S+ 0 0 87 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.421 118.7 34.1 -70.1 5.9 65.2 145.4 159.7 224 75 B L G X4 S+ 0 0 19 -3,-2.8 3,-0.6 -24,-0.1 5,-0.4 0.380 93.5 103.4-137.1 -5.8 68.0 142.7 159.5 225 76 B Q T << + 0 0 69 -4,-1.2 -4,-0.0 -3,-0.7 -24,-0.0 -0.343 66.3 46.8 -78.7 168.3 67.1 140.2 162.1 226 77 B K T 3 S+ 0 0 144 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.562 87.7 96.9 77.2 10.6 65.5 136.8 161.2 227 78 B K S < S- 0 0 155 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.375 108.8 -94.0-107.2 0.7 68.2 136.5 158.5 228 79 B G S > S+ 0 0 39 -4,-0.0 4,-1.4 3,-0.0 -3,-0.1 0.489 94.5 117.0 102.4 3.5 70.5 134.4 160.6 229 80 B F H > S+ 0 0 15 -5,-0.4 4,-2.1 2,-0.2 5,-0.2 0.793 70.4 64.9 -72.8 -27.6 72.7 137.1 162.0 230 81 B G H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.980 102.8 44.7 -56.8 -58.6 71.5 136.2 165.5 231 82 B K H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.880 110.0 56.8 -53.5 -42.3 73.0 132.8 165.4 232 83 B Q H X S+ 0 0 57 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.892 107.5 47.8 -58.3 -42.6 76.3 134.1 164.0 233 84 B L H X S+ 0 0 0 -4,-2.1 4,-3.3 -3,-0.4 5,-0.2 0.952 112.9 47.9 -64.4 -48.7 76.7 136.5 166.9 234 85 B V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.3 -2,-0.2 0.946 113.8 45.9 -56.3 -52.2 76.0 133.9 169.5 235 86 B L H X S+ 0 0 69 -4,-2.8 4,-0.7 1,-0.2 -1,-0.3 0.786 115.1 50.4 -61.8 -27.0 78.4 131.4 167.8 236 87 B D H >X S+ 0 0 33 -4,-1.5 4,-2.3 -5,-0.3 3,-0.6 0.890 105.3 53.6 -77.8 -43.3 80.9 134.3 167.6 237 88 B A H 3X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.3 -2,-0.2 0.844 104.9 57.6 -60.8 -30.3 80.5 135.3 171.2 238 89 B I H 3X S+ 0 0 10 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.3 0.855 107.2 47.2 -68.7 -31.7 81.4 131.7 172.1 239 90 B E H S+ 0 0 0 -4,-2.0 5,-1.5 -5,-0.2 -1,-0.2 0.807 105.9 53.2 -68.0 -32.3 84.9 133.5 175.1 242 93 B K H ><5S+ 0 0 107 -4,-1.2 3,-3.0 1,-0.2 -2,-0.2 0.980 108.1 47.8 -67.4 -54.5 87.1 130.6 174.2 243 94 B K H 3<5S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.690 102.5 66.4 -60.3 -15.1 90.1 132.8 173.5 244 95 B L T 3<5S- 0 0 73 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.458 112.7-121.8 -84.3 0.6 89.3 134.5 176.7 245 96 B G T < 5 + 0 0 44 -3,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.574 57.5 156.1 71.7 10.1 90.2 131.3 178.5 246 97 B A < - 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0 0 0 -7,-1.1 21,-2.8 -2,-1.1 2,-0.2 0.997 51.1 -42.5 -68.1 -67.7 60.2 103.9 217.1 507 52 D G E -WX 499 526G 0 -8,-1.7 -8,-2.5 19,-0.2 2,-0.3 -0.810 47.7-142.1-150.3-169.4 59.4 105.7 213.8 508 53 D V E -WX 498 525G 0 17,-2.4 17,-2.6 -10,-0.2 2,-0.3 -0.988 8.4-175.2-160.9 159.6 57.5 105.6 210.5 509 54 D Y E -WX 497 524G 0 -12,-2.0 -12,-2.8 -2,-0.3 2,-0.4 -0.961 14.6-142.2-161.7 145.1 57.8 106.5 206.8 510 55 D V E -WX 496 523G 0 13,-2.4 13,-0.9 -2,-0.3 2,-0.7 -0.929 4.9-153.7-116.1 136.1 55.6 106.4 203.7 511 56 D L E -WX 495 521G 5 -16,-3.3 -16,-2.7 -2,-0.4 2,-0.4 -0.915 18.1-177.1-108.6 110.2 56.6 105.5 200.2 512 57 D L E - X 0 520G 0 8,-2.6 8,-3.2 -2,-0.7 2,-0.6 -0.836 24.6-127.8-106.6 144.2 54.3 107.2 197.6 513 58 D K E + X 0 519G 86 -2,-0.4 6,-0.2 -20,-0.3 -459,-0.0 -0.824 37.6 162.4 -94.4 122.9 54.7 106.6 193.9 514 59 D T + 0 0 0 4,-1.6 -1,-0.1 -2,-0.6 5,-0.1 0.644 51.8 15.0-101.6-106.4 54.9 109.9 191.9 515 60 D R S > S- 0 0 28 1,-0.2 3,-2.4 2,-0.1 -1,-0.3 -0.237 103.9 -68.2 -67.9 163.7 56.2 110.2 188.4 516 61 D P T 3 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.233 123.7 2.1 -53.3 138.9 56.6 107.1 186.2 517 62 D Q T 3 S+ 0 0 80 1,-0.2 36,-3.5 -3,-0.1 37,-1.5 0.558 115.2 112.6 58.8 6.2 59.4 104.8 187.6 518 63 D T E < - y 0 554G 19 -3,-2.4 -4,-1.6 34,-0.2 2,-0.4 -0.935 44.8-176.2-117.6 131.9 59.8 107.4 190.3 519 64 D V E -Xy 513 555G 1 35,-2.2 37,-2.5 -2,-0.4 2,-0.3 -0.954 7.1-158.9-126.2 143.5 59.0 107.0 194.0 520 65 D E E -Xy 512 556G 13 -8,-3.2 -8,-2.6 -2,-0.4 2,-1.6 -0.918 25.2-126.9-125.9 148.5 59.1 109.5 196.9 521 66 D I E +X 511 0G 6 35,-2.4 37,-0.3 -2,-0.3 -10,-0.2 -0.679 31.5 178.7 -89.5 84.2 59.3 109.5 200.6 522 67 D V E + 0 0 21 -2,-1.6 2,-0.3 -12,-0.6 -1,-0.2 0.571 66.6 11.6 -63.7 -11.0 56.3 111.7 201.3 523 68 D N E +X 510 0G 6 -13,-0.9 -13,-2.4 -3,-0.1 2,-0.3 -0.898 59.2 168.1-168.8 137.6 56.7 111.3 205.0 524 69 D I E +X 509 0G 26 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.960 13.3 158.9-154.3 134.8 59.3 110.2 207.6 525 70 D A E -X 508 0G 12 -17,-2.6 -17,-2.4 -2,-0.3 2,-0.4 -0.992 22.5-153.8-155.4 158.7 59.5 110.6 211.3 526 71 D V E -X 507 0G 12 -2,-0.3 -19,-0.2 -19,-0.2 5,-0.2 -1.000 41.1 -93.6-138.4 135.9 61.0 109.3 214.5 527 72 D K >> - 0 0 47 -21,-2.8 3,-3.0 -2,-0.4 4,-1.3 -0.201 34.7-129.3 -48.5 126.7 59.6 109.6 218.1 528 73 D E G >4 S+ 0 0 137 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.882 108.6 56.0 -47.9 -45.1 61.2 112.6 219.7 529 74 D S G 34 S+ 0 0 84 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.415 118.7 34.9 -71.1 5.8 62.2 110.6 222.7 530 75 D L G X4 S+ 0 0 17 -3,-3.0 3,-0.6 -24,-0.1 5,-0.4 0.377 93.7 103.1-135.9 -6.3 64.1 108.3 220.4 531 76 D Q T << + 0 0 70 -4,-1.3 -4,-0.0 -3,-0.7 -24,-0.0 -0.361 66.0 46.2 -79.6 166.3 65.4 110.4 217.6 532 77 D K T 3 S+ 0 0 147 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.542 87.7 97.6 79.2 10.0 69.0 111.5 217.4 533 78 D K S < S- 0 0 153 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.378 108.6 -93.4-106.2 0.3 70.0 108.0 218.1 534 79 D G S > S+ 0 0 39 -4,-0.0 4,-1.4 3,-0.0 -3,-0.1 0.476 95.3 116.5 102.7 2.1 70.5 107.0 214.4 535 80 D F H > S+ 0 0 14 -5,-0.4 4,-2.1 2,-0.2 5,-0.2 0.795 70.6 64.4 -71.9 -28.3 67.1 105.7 213.7 536 81 D G H >> S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.984 103.4 44.7 -56.9 -58.7 66.5 108.4 211.2 537 82 D K H 3> S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.886 109.8 56.9 -53.2 -43.7 69.3 107.2 208.9 538 83 D Q H 3X S+ 0 0 57 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.886 107.2 48.1 -57.3 -41.5 68.1 103.6 209.2 539 84 D L H S+ 0 0 0 -4,-1.8 5,-1.5 -5,-0.2 -1,-0.2 0.820 106.0 53.1 -69.6 -32.8 62.1 101.5 196.7 548 93 D K H ><5S+ 0 0 102 -4,-1.3 3,-2.8 1,-0.2 -2,-0.2 0.975 108.3 47.9 -67.0 -53.1 64.7 99.3 194.9 549 94 D K H 3<5S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.689 102.7 66.2 -60.8 -15.4 62.6 96.1 195.2 550 95 D L T 3<5S- 0 0 77 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.461 112.9-121.7 -84.5 0.0 59.7 98.3 193.9 551 96 D G T < 5 + 0 0 44 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.569 57.5 156.1 72.2 9.2 61.6 98.5 190.6 552 97 D A < - 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0 0 3 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.288 34.3-158.1 -63.3 145.7 70.5 112.0 198.1 576 121 D R E -A 607 0G 35 31,-2.4 31,-2.4 -128,-0.0 2,-0.3 -0.953 25.7-105.4-125.0 144.0 71.6 114.9 195.9 577 122 D I E +A 606 0G 5 -2,-0.4 29,-0.3 29,-0.2 3,-0.1 -0.549 37.4 178.0 -72.7 129.0 69.8 118.3 195.8 578 123 D Q E - 0 0 27 27,-3.8 -151,-0.4 1,-0.4 2,-0.3 0.903 52.7 -35.7 -93.8 -70.8 67.9 118.6 192.5 579 124 D A E -A 605 0G 15 26,-0.7 26,-2.8 -153,-0.1 2,-0.4 -0.868 53.6-111.9-147.4 179.8 66.1 122.0 192.4 580 125 D I E -A 604 0G 4 -155,-0.3 2,-1.1 -2,-0.3 24,-0.2 -0.970 11.0-143.9-124.7 136.4 64.3 124.4 194.7 581 126 D D E > -A 603 0G 22 22,-2.1 3,-1.6 -2,-0.4 22,-1.4 -0.760 32.7-144.6 -96.9 88.5 60.5 125.3 194.7 582 127 D H T 3 S+ 0 0 10 -2,-1.1 20,-0.2 1,-0.3 -157,-0.0 -0.145 73.6 3.8 -57.9 145.6 60.7 129.0 195.5 583 128 D D T >> S+ 0 0 35 18,-0.2 4,-1.8 1,-0.1 3,-1.0 0.525 88.0 139.2 59.1 6.8 58.1 130.6 197.7 584 129 D F H X> S+ 0 0 35 -3,-1.6 4,-2.0 1,-0.3 3,-1.1 0.926 71.3 40.4 -43.4 -68.6 56.6 127.1 198.1 585 130 D F H 3> S+ 0 0 25 1,-0.3 4,-0.6 -4,-0.2 -1,-0.3 0.678 109.9 64.5 -59.2 -15.9 55.7 127.4 201.8 586 131 D L H <4 S+ 0 0 73 -3,-1.0 -1,-0.3 15,-0.6 -2,-0.2 0.890 112.5 30.4 -75.9 -36.4 54.6 131.0 201.1 587 132 D R H << S+ 0 0 79 -4,-1.8 -2,-0.2 -3,-1.1 -1,-0.2 0.669 121.8 49.5 -95.5 -18.0 51.8 130.0 198.9 588 133 D H H < S+ 0 0 52 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.380 110.2 50.8-101.9 3.5 50.9 126.7 200.5 589 134 D Y < - 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