==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-10 3PS9 . COMPND 2 MOLECULE: TRNA 5-METHYLAMINOMETHYL-2-THIOURIDINE BIOSYNTHES . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.KIM,S.C.ALMO . 669 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 49 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 1 0 1 4 0 3 2 0 0 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 2 4 1 2 1 1 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 3 0 0 1 0 1 0 1 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 -7 A L 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.9 19.8 9.6 8.9 2 -6 A G + 0 0 83 1,-0.2 2,-0.2 2,-0.0 0, 0.0 0.644 360.0 138.6 79.9 19.8 16.0 10.3 9.4 3 -5 A T - 0 0 90 1,-0.1 3,-0.5 3,-0.0 -1,-0.2 -0.495 63.6-127.2 -97.7 164.8 16.5 13.0 12.1 4 -4 A D S > S+ 0 0 99 1,-0.2 3,-2.8 -2,-0.2 4,-0.4 0.347 75.4 115.6 -88.1 7.0 14.9 16.3 12.8 5 -3 A D G > + 0 0 113 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.694 68.0 64.5 -50.7 -29.0 18.4 18.0 13.0 6 -2 A D G > S+ 0 0 113 -3,-0.5 3,-2.2 1,-0.2 4,-0.3 0.774 85.5 73.9 -56.0 -36.6 17.4 20.1 9.9 7 -1 A D G X S+ 0 0 29 -3,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.731 86.1 61.6 -59.4 -28.6 14.6 21.8 11.8 8 0 A K G < S+ 0 0 173 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.514 106.1 47.5 -76.2 -6.7 17.1 24.0 13.8 9 1 A M G < S+ 0 0 151 -3,-2.2 2,-0.4 -4,-0.1 -1,-0.2 0.334 92.7 95.7-112.4 0.7 18.2 25.5 10.5 10 2 A K < - 0 0 63 -3,-0.8 2,-0.4 -4,-0.3 367,-0.3 -0.776 52.7-169.0 -95.1 139.4 14.8 26.3 9.0 11 3 A H - 0 0 118 -2,-0.4 367,-0.1 365,-0.1 365,-0.0 -0.987 19.8-173.8-134.2 131.0 13.1 29.7 9.4 12 4 A Y S S+ 0 0 16 -2,-0.4 2,-0.4 365,-0.4 -1,-0.1 0.189 72.7 67.3-110.1 16.7 9.6 30.7 8.7 13 5 A S S S- 0 0 36 365,-0.2 2,-0.4 128,-0.2 128,-0.2 -0.990 72.9-138.1-133.5 141.1 10.2 34.4 9.3 14 6 A I - 0 0 25 126,-2.6 95,-0.1 -2,-0.4 -2,-0.0 -0.811 28.0-123.6 -95.4 138.9 12.2 36.9 7.3 15 7 A Q - 0 0 127 -2,-0.4 126,-0.0 93,-0.2 2,-0.0 -0.690 25.0-120.9 -88.4 140.1 14.3 39.2 9.4 16 8 A P - 0 0 61 0, 0.0 95,-0.2 0, 0.0 2,-0.2 -0.184 31.5 -85.5 -76.6 170.2 13.9 43.0 9.1 17 9 A A - 0 0 8 93,-1.5 2,-1.0 92,-0.2 95,-0.3 -0.439 28.3-128.9 -77.3 139.9 16.4 45.7 8.2 18 10 A N - 0 0 91 -2,-0.2 10,-2.2 93,-0.1 11,-0.4 -0.795 42.4-171.7 -82.8 101.9 18.7 47.3 10.7 19 11 A L E +A 27 0A 23 -2,-1.0 2,-0.3 8,-0.2 8,-0.2 -0.765 21.6 165.4-107.7 149.1 18.0 51.0 9.9 20 12 A E E -A 26 0A 95 6,-1.6 6,-3.5 -2,-0.3 2,-0.1 -0.949 18.2-148.8-145.8 159.1 19.5 54.3 11.0 21 13 A F 0 0 64 -2,-0.3 98,-0.0 4,-0.2 12,-0.0 -0.405 360.0 360.0-114.7-168.3 19.2 57.8 9.5 22 14 A N 0 0 134 2,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.927 360.0 360.0-140.1 360.0 21.4 61.0 9.3 23 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 24 18 A T 0 0 16 0, 0.0 2,-0.4 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 131.9 18.4 59.6 4.5 25 19 A P - 0 0 0 0, 0.0 9,-2.9 0, 0.0 2,-0.4 -0.732 360.0-165.2 -85.0 130.2 18.1 55.8 5.5 26 20 A V E -AB 20 33A 17 -6,-3.5 -6,-1.6 -2,-0.4 2,-0.6 -0.937 17.2-130.4-121.5 133.6 21.4 54.0 6.0 27 21 A S E >> -AB 19 32A 1 5,-2.6 4,-1.7 -2,-0.4 5,-0.8 -0.799 10.3-162.4 -88.3 123.5 21.7 50.3 6.2 28 22 A R T 45S+ 0 0 105 -10,-2.2 -1,-0.2 -2,-0.6 -9,-0.1 0.904 91.9 51.9 -67.9 -43.1 23.7 49.1 9.3 29 23 A D T 45S+ 0 0 82 -11,-0.4 -1,-0.2 1,-0.2 -10,-0.1 0.885 122.9 28.8 -60.6 -39.6 24.4 45.7 7.8 30 24 A F T 45S- 0 0 44 2,-0.2 -1,-0.2 161,-0.0 -2,-0.2 0.542 92.1-135.0-102.2 -11.2 25.8 47.2 4.5 31 25 A D T <5 + 0 0 135 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.931 68.1 109.2 46.3 51.3 27.2 50.6 5.6 32 26 A D E - 0 0 48 -2,-0.3 4,-0.9 4,-0.1 5,-0.1 -0.317 44.2-118.4 -79.2 159.4 21.2 60.0 -2.3 37 31 A N T 4 S+ 0 0 96 2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.900 92.8 4.8 -73.1 -62.4 20.4 62.9 -0.0 38 32 A D T 4 S+ 0 0 144 1,-0.1 3,-0.3 2,-0.1 4,-0.2 0.794 136.4 42.0 -89.7 -30.8 18.8 65.9 -1.8 39 33 A N T > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.238 72.7 115.1-109.1 9.4 18.6 64.4 -5.3 40 34 A G H X S+ 0 0 1 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.834 80.2 48.3 -48.9 -39.8 17.3 60.9 -4.5 41 35 A L H > S+ 0 0 12 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.923 114.3 41.9 -74.3 -47.2 14.0 61.4 -6.3 42 36 A E H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.874 114.0 53.6 -69.7 -32.3 15.3 63.0 -9.5 43 37 A E H X S+ 0 0 52 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.899 106.9 52.3 -64.1 -41.0 18.1 60.4 -9.7 44 38 A T H X>S+ 0 0 9 -4,-1.7 4,-1.9 -5,-0.3 5,-1.2 0.928 110.1 48.2 -60.2 -46.8 15.6 57.6 -9.4 45 39 A R H <>S+ 0 0 54 -4,-1.8 5,-2.2 3,-0.2 -1,-0.2 0.788 116.8 43.6 -61.1 -36.7 13.6 59.1 -12.3 46 40 A Y H <>S+ 0 0 66 -4,-1.7 5,-0.7 3,-0.2 -2,-0.2 0.938 120.4 36.7 -76.4 -49.9 16.7 59.5 -14.4 47 41 A V H X5S+ 0 0 4 -4,-3.4 4,-0.6 3,-0.2 -3,-0.2 0.973 130.8 22.5 -69.2 -54.3 18.4 56.1 -13.7 48 42 A F T <5S+ 0 0 8 -4,-1.9 4,-0.2 -5,-0.3 -3,-0.2 0.916 133.6 30.9 -92.1 -41.5 15.5 53.7 -13.5 49 43 A L T >4XS+ 0 0 18 -5,-1.2 5,-2.3 2,-0.1 3,-0.9 0.955 127.5 40.5 -78.6 -55.3 12.6 55.4 -15.4 50 44 A G G >45 + 0 0 121 -3,-1.3 4,-1.5 -4,-0.1 -3,-0.2 0.887 48.9 161.6 48.5 50.4 12.9 54.8 -21.5 54 48 A L H >< + 0 0 4 -5,-2.3 4,-2.6 2,-0.2 -4,-0.1 0.861 64.0 55.1 -70.1 -37.6 9.5 54.4 -19.7 55 49 A E H 4 S+ 0 0 178 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.913 112.4 43.5 -65.4 -40.6 8.0 57.8 -20.7 56 50 A V H 4 S+ 0 0 104 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.885 118.4 44.8 -67.7 -36.0 8.6 57.1 -24.4 57 51 A R H >X S+ 0 0 49 -4,-1.5 4,-1.0 1,-0.2 3,-0.9 0.821 94.9 74.9 -85.5 -35.1 7.4 53.5 -24.3 58 52 A F G >< S+ 0 0 7 -4,-2.6 3,-0.9 1,-0.2 40,-0.4 0.898 96.1 46.2 -46.4 -50.9 4.2 53.9 -22.1 59 53 A P G 34 S+ 0 0 36 0, 0.0 38,-0.3 0, 0.0 -1,-0.2 0.761 120.9 38.3 -73.7 -16.0 1.9 55.4 -24.8 60 54 A E G <4 S+ 0 0 156 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.381 80.5 130.8-108.5 -1.8 2.9 53.0 -27.5 61 55 A H << - 0 0 16 -4,-1.0 2,-0.5 -3,-0.9 37,-0.5 -0.430 50.2-149.9 -58.9 115.1 3.2 49.9 -25.3 62 56 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.072 70.4 70.8 -85.0 34.0 1.1 47.2 -27.1 63 57 A H S S- 0 0 50 -2,-0.5 36,-0.0 1,-0.0 -2,-0.0 -0.984 78.9-129.2-144.0 149.4 -0.0 45.3 -24.0 64 58 A P S S+ 0 0 32 0, 0.0 36,-2.1 0, 0.0 35,-1.9 0.642 94.9 57.2 -77.0 -10.4 -2.5 46.2 -21.3 65 59 A L E -c 100 0B 1 34,-0.2 2,-0.4 33,-0.2 36,-0.2 -0.957 64.1-161.9-120.1 139.2 0.1 45.4 -18.6 66 60 A F E -c 101 0B 0 34,-1.8 36,-2.6 -2,-0.4 2,-0.6 -0.980 14.2-156.7-115.8 132.5 3.6 46.7 -18.1 67 61 A V E -c 102 0B 5 -2,-0.4 112,-2.1 34,-0.2 113,-1.7 -0.934 11.5-177.7-119.7 116.3 5.8 44.6 -15.9 68 62 A V E -cd 103 180B 0 34,-2.6 36,-2.3 -2,-0.6 2,-0.4 -0.904 8.7-162.6-106.2 136.7 8.8 46.0 -14.1 69 63 A A E -cd 104 181B 1 111,-2.4 113,-2.8 -2,-0.4 2,-0.4 -0.971 8.7-164.9-121.7 145.8 11.0 43.7 -12.0 70 64 A E E -cd 105 182B 0 34,-3.3 36,-1.4 -2,-0.4 2,-0.6 -0.974 21.2-144.7-134.7 140.3 13.4 44.9 -9.4 71 65 A S E S+cd 106 183B 0 111,-2.0 113,-0.8 -2,-0.4 36,-0.1 -0.922 86.6 11.6 -98.1 115.6 16.4 43.7 -7.3 72 66 A G - 0 0 3 34,-1.6 -1,-0.2 -2,-0.6 35,-0.2 0.945 59.9-164.3 86.2 87.5 16.3 45.2 -3.8 73 67 A F > + 0 0 0 33,-0.9 3,-1.9 -3,-0.2 5,-0.3 0.848 31.1 155.3 -65.9 -44.0 13.0 47.0 -2.9 74 68 A G T 3 S- 0 0 0 1,-0.3 37,-0.4 2,-0.1 -1,-0.2 -0.169 72.6 -3.8 55.0-126.5 14.5 48.8 0.1 75 69 A T T 3 S- 0 0 1 596,-1.9 -1,-0.3 -50,-0.1 45,-0.1 0.714 95.1-116.8 -68.8 -23.5 12.6 52.0 0.9 76 70 A G S <> S+ 0 0 0 -3,-1.9 4,-3.3 -4,-0.1 5,-0.3 0.480 72.1 135.2 95.2 6.6 10.3 51.6 -2.1 77 71 A L H > S+ 0 0 1 1,-0.2 4,-2.2 -4,-0.2 5,-0.2 0.852 72.0 46.6 -59.8 -42.0 11.5 54.8 -3.7 78 72 A N H > S+ 0 0 2 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.928 114.9 47.7 -67.3 -42.5 11.8 53.3 -7.2 79 73 A F H > S+ 0 0 0 -6,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.951 113.9 45.8 -63.8 -48.6 8.4 51.7 -6.9 80 74 A L H X S+ 0 0 3 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.866 112.9 50.4 -61.1 -38.9 6.7 54.9 -5.6 81 75 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.860 111.3 49.0 -70.4 -33.8 8.4 57.0 -8.3 82 76 A L H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.925 110.0 50.7 -69.2 -44.6 7.3 54.6 -11.0 83 77 A W H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.927 109.2 51.2 -60.6 -47.1 3.7 54.6 -9.7 84 78 A Q H X S+ 0 0 8 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.929 113.1 45.8 -55.9 -43.8 3.6 58.3 -9.7 85 79 A A H X S+ 0 0 26 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.908 111.7 50.8 -71.7 -43.5 4.8 58.4 -13.3 86 80 A F H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 -1,-0.2 0.863 109.0 52.2 -54.1 -43.5 2.4 55.7 -14.4 87 81 A D H X S+ 0 0 42 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.830 111.1 46.9 -65.1 -32.7 -0.5 57.7 -12.8 88 82 A Q H X S+ 0 0 117 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.833 110.3 53.5 -76.3 -37.4 0.5 60.8 -14.7 89 83 A F H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.956 108.0 49.7 -61.1 -47.3 0.8 58.7 -17.9 90 84 A R H < S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.843 110.7 50.2 -64.4 -35.6 -2.7 57.4 -17.5 91 85 A E H < S+ 0 0 171 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 115.2 43.0 -65.7 -41.0 -4.1 60.9 -16.9 92 86 A A H < S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.830 130.4 23.8 -76.9 -30.5 -2.4 62.2 -20.0 93 87 A H >< + 0 0 74 -4,-2.5 3,-1.9 -5,-0.2 -1,-0.2 -0.466 63.4 158.2-137.0 61.0 -3.2 59.2 -22.2 94 88 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.686 76.5 62.0 -59.9 -20.3 -6.3 57.4 -20.9 95 89 A Q T 3 S+ 0 0 152 -3,-0.1 4,-0.1 -5,-0.0 -5,-0.1 0.537 78.9 114.5 -80.9 -10.6 -6.8 55.9 -24.4 96 90 A A S < S- 0 0 13 -3,-1.9 -36,-0.1 2,-0.1 -38,-0.0 -0.212 74.4-125.9 -60.0 152.1 -3.5 54.0 -24.4 97 91 A Q S S+ 0 0 104 -38,-0.3 2,-0.4 -36,-0.2 -1,-0.1 0.924 90.4 90.0 -68.4 -36.8 -3.6 50.2 -24.4 98 92 A L + 0 0 0 -37,-0.5 -33,-0.2 -40,-0.4 -2,-0.1 -0.407 43.8 149.7 -64.2 114.6 -1.5 50.2 -21.2 99 93 A Q + 0 0 86 -35,-1.9 2,-0.3 -2,-0.4 -34,-0.2 0.494 52.7 46.9-122.2 -16.4 -3.8 50.3 -18.3 100 94 A R E -c 65 0B 14 -36,-2.1 -34,-1.8 192,-0.0 2,-0.4 -0.972 59.8-147.3-139.0 149.3 -2.2 48.4 -15.5 101 95 A L E -ce 66 154B 0 52,-2.7 54,-2.4 -2,-0.3 2,-0.4 -0.916 8.8-168.4-115.8 141.0 1.2 48.2 -13.8 102 96 A H E -ce 67 155B 1 -36,-2.6 -34,-2.6 -2,-0.4 2,-0.4 -0.997 3.3-171.9-128.6 134.0 2.9 45.2 -12.3 103 97 A F E -ce 68 156B 0 52,-2.4 54,-2.5 -2,-0.4 2,-0.5 -0.992 3.1-172.0-131.4 121.9 6.0 45.5 -10.1 104 98 A I E +ce 69 157B 2 -36,-2.3 -34,-3.3 -2,-0.4 2,-0.3 -0.963 15.2 172.2-117.6 111.5 7.9 42.4 -8.9 105 99 A S E -ce 70 158B 0 52,-2.4 54,-2.7 -2,-0.5 2,-0.4 -0.894 22.3-146.1-125.3 153.8 10.6 43.1 -6.4 106 100 A F E +ce 71 159B 3 -36,-1.4 -34,-1.6 -2,-0.3 -33,-0.9 -0.931 19.3 179.4-119.8 139.6 12.9 40.9 -4.3 107 101 A E E - e 0 160B 2 52,-2.4 54,-2.5 -2,-0.4 55,-0.0 -0.953 23.1-178.1-151.2 127.3 14.0 41.8 -0.8 108 102 A K S S+ 0 0 83 -2,-0.3 -93,-0.2 1,-0.2 54,-0.1 0.799 88.8 34.6 -92.0 -32.3 16.1 40.1 1.8 109 103 A F S S- 0 0 30 52,-0.1 -1,-0.2 -95,-0.1 -92,-0.2 -0.640 79.6-167.1-126.9 71.1 15.9 42.8 4.5 110 104 A P - 0 0 3 0, 0.0 -93,-1.5 0, 0.0 -35,-0.1 -0.308 25.0-111.8 -65.3 140.8 12.4 44.3 4.4 111 105 A L - 0 0 4 -37,-0.4 2,-0.1 -95,-0.2 -93,-0.1 -0.284 30.5-113.2 -61.6 150.8 11.8 47.5 6.4 112 106 A T > - 0 0 51 -95,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.449 33.9-104.9 -73.4 164.7 9.5 47.3 9.4 113 107 A R H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 123.3 52.6 -58.6 -36.3 6.3 49.2 9.1 114 108 A A H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 111.0 43.8 -65.2 -46.5 7.7 51.8 11.4 115 109 A D H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.858 112.1 54.0 -68.4 -35.6 11.0 52.3 9.4 116 110 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.936 108.5 48.5 -63.8 -43.6 9.1 52.3 6.2 117 111 A A H X S+ 0 0 34 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.869 113.4 48.4 -64.8 -39.3 6.8 55.1 7.4 118 112 A L H < S+ 0 0 71 -4,-1.9 4,-0.5 2,-0.2 3,-0.3 0.892 108.9 52.7 -64.5 -42.9 9.9 57.1 8.6 119 113 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.934 108.2 51.5 -60.9 -41.5 11.7 56.6 5.3 120 114 A H H >< S+ 0 0 11 -4,-2.2 3,-2.3 1,-0.3 -1,-0.2 0.731 89.5 78.2 -69.2 -27.3 8.7 58.0 3.4 121 115 A Q T 3< S+ 0 0 135 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.760 84.5 65.8 -51.7 -25.6 8.5 61.1 5.5 122 116 A H T < S+ 0 0 95 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.462 100.6 51.2 -80.9 0.6 11.5 62.5 3.5 123 117 A W X + 0 0 32 -3,-2.3 3,-2.0 1,-0.1 4,-0.3 -0.532 56.0 166.2-136.1 67.9 9.4 62.6 0.3 124 118 A P G > S+ 0 0 104 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.827 76.6 68.6 -55.9 -28.0 6.1 64.5 1.0 125 119 A E G 3 S+ 0 0 99 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.834 102.5 45.0 -52.3 -33.8 5.6 64.6 -2.8 126 120 A L G X> S+ 0 0 2 -3,-2.0 4,-2.9 -6,-0.2 3,-1.3 0.402 80.8 109.7 -93.8 1.3 5.1 60.8 -2.9 127 121 A A H <> + 0 0 29 -3,-1.6 4,-2.0 -4,-0.3 5,-0.2 0.748 69.7 59.2 -57.7 -32.9 2.7 60.7 0.1 128 122 A P H 3> S+ 0 0 74 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.899 118.0 33.2 -63.9 -31.8 -0.4 59.8 -1.8 129 123 A W H <> S+ 0 0 36 -3,-1.3 4,-2.0 2,-0.2 3,-0.5 0.913 115.1 57.3 -85.1 -42.6 1.3 56.7 -3.0 130 124 A A H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -3,-0.2 0.848 104.5 53.2 -56.3 -38.1 3.4 56.0 0.1 131 125 A E H X S+ 0 0 124 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.853 106.6 50.8 -70.7 -37.7 0.4 55.9 2.3 132 126 A Q H X S+ 0 0 66 -4,-0.7 4,-0.6 -3,-0.5 -1,-0.2 0.887 111.2 49.6 -64.9 -41.9 -1.4 53.3 0.2 133 127 A L H >X S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.7 0.925 109.7 50.3 -58.3 -50.0 1.8 51.1 0.3 134 128 A Q H >< S+ 0 0 62 -4,-2.3 3,-0.6 1,-0.3 -2,-0.2 0.854 101.2 64.3 -63.7 -28.2 2.0 51.4 4.0 135 129 A A H 3< S+ 0 0 85 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.712 117.8 25.7 -68.2 -21.0 -1.6 50.4 4.4 136 130 A Q H << S+ 0 0 28 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.310 79.6 146.2-124.7 4.9 -0.8 47.0 3.0 137 131 A W << - 0 0 9 -4,-0.7 -24,-0.1 -3,-0.6 2,-0.1 -0.252 51.6-118.7 -51.5 123.4 2.9 46.5 3.8 138 132 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.317 13.3-102.8 -82.0 152.1 3.1 42.8 4.4 139 133 A M - 0 0 11 1,-0.1 2,-2.2 -2,-0.1 198,-0.0 -0.443 51.7-101.4 -56.0 134.7 4.1 40.7 7.5 140 134 A P + 0 0 38 0, 0.0 -126,-2.6 0, 0.0 -1,-0.1 -0.389 68.0 144.2 -73.6 78.8 7.7 39.4 6.9 141 135 A L - 0 0 3 -2,-2.2 19,-0.4 -128,-0.2 -128,-0.2 -0.827 55.3 -91.2-107.7 152.6 7.1 35.8 5.8 142 136 A P S S+ 0 0 18 0, 0.0 19,-0.2 0, 0.0 2,-0.1 -0.213 84.0 9.7 -58.9 148.9 9.2 34.0 3.1 143 137 A G E S+F 160 0B 1 17,-2.0 17,-2.5 504,-0.1 2,-0.3 -0.414 102.8 2.3 91.2-155.7 8.2 34.1 -0.6 144 138 A C E -F 159 0B 5 15,-0.2 2,-0.4 -2,-0.1 15,-0.2 -0.519 47.2-178.5 -86.1 132.2 5.6 36.0 -2.5 145 139 A H E -F 158 0B 1 13,-2.4 13,-2.7 -2,-0.3 2,-0.4 -0.987 12.6-157.2-126.8 119.8 3.3 38.7 -1.1 146 140 A R E -F 157 0B 3 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.808 7.4-170.8-103.0 133.8 0.8 40.4 -3.4 147 141 A L E -F 156 0B 0 9,-2.0 9,-2.2 -2,-0.4 2,-0.8 -0.991 13.7-149.7-120.0 117.8 -0.7 43.8 -2.8 148 142 A L E -F 155 0B 6 -2,-0.5 2,-0.4 7,-0.2 3,-0.3 -0.834 23.7-170.7 -80.9 116.7 -3.5 45.0 -5.0 149 143 A L E > > +F 154 0B 1 5,-3.3 5,-2.1 -2,-0.8 3,-1.4 -0.850 62.9 6.4-110.5 146.4 -3.2 48.7 -5.0 150 144 A D G > 5S- 0 0 79 -2,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.913 134.1 -56.2 51.9 46.1 -5.7 51.2 -6.5 151 145 A A G 3 5S- 0 0 73 -3,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.633 107.6 -46.0 61.9 24.5 -8.2 48.3 -7.1 152 146 A G G < 5S+ 0 0 1 -3,-1.4 -1,-0.3 2,-0.4 -2,-0.2 0.328 112.1 112.0 104.7 -9.3 -5.8 46.2 -9.2 153 147 A R T < 5S+ 0 0 80 -3,-1.5 -52,-2.7 -4,-0.4 2,-0.5 0.898 89.1 32.2 -61.0 -40.1 -4.6 49.0 -11.4 154 148 A V E > - 0 0 43 -2,-0.3 4,-2.1 1,-0.1 3,-1.1 -0.541 52.3-138.6 -69.5 130.6 17.7 36.2 -0.8 163 157 A I H 3> S+ 0 0 12 -2,-0.3 4,-2.1 1,-0.3 -1,-0.1 0.857 100.1 56.3 -65.3 -29.7 17.3 37.1 -4.5 164 158 A N H 34 S+ 0 0 34 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.619 111.8 42.4 -82.5 -12.5 19.7 34.4 -5.6 165 159 A E H <4 S+ 0 0 129 -3,-1.1 3,-0.3 2,-0.1 -1,-0.2 0.766 114.9 51.5 -90.3 -35.8 17.7 31.7 -3.8 166 160 A L H >X S+ 0 0 6 -4,-2.1 3,-1.8 1,-0.2 4,-0.5 0.806 96.2 65.4 -72.0 -37.3 14.4 33.1 -5.0 167 161 A T G >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.830 101.7 50.0 -60.8 -30.6 15.1 33.4 -8.7 168 162 A S G 34 S+ 0 0 90 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.425 105.5 60.0 -89.0 4.3 15.3 29.7 -9.1 169 163 A Q G <4 S+ 0 0 55 -3,-1.8 480,-2.8 2,-0.1 481,-0.3 0.508 80.3 108.5-102.4 -8.4 12.0 29.3 -7.2 170 164 A L B << S-J 648 0C 10 -3,-0.7 478,-0.1 -4,-0.5 2,-0.1 -0.323 75.3-106.0 -70.9 151.2 9.9 31.3 -9.7 171 165 A D > - 0 0 18 476,-0.5 3,-1.7 474,-0.3 4,-0.2 -0.456 24.3-116.2 -78.0 155.2 7.4 29.5 -11.9 172 166 A D G > S+ 0 0 52 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.719 108.9 76.1 -61.0 -25.0 8.1 29.1 -15.7 173 167 A S G 3 S+ 0 0 29 1,-0.3 -1,-0.3 470,-0.0 -3,-0.0 0.815 86.6 60.6 -59.1 -29.9 5.2 31.3 -16.4 174 168 A L G X S+ 0 0 12 -3,-1.7 3,-1.1 471,-0.1 -1,-0.3 0.585 78.9 112.8 -78.1 -11.5 7.2 34.4 -15.4 175 169 A N T < S+ 0 0 7 -3,-1.7 31,-0.3 1,-0.2 30,-0.1 -0.398 86.0 5.1 -66.4 139.4 9.8 33.8 -18.1 176 170 A Q T 3 S+ 0 0 37 29,-1.6 -1,-0.2 31,-0.1 31,-0.2 0.818 103.2 105.4 56.3 40.7 10.0 36.4 -20.9 177 171 A K < + 0 0 35 29,-1.6 2,-0.5 -3,-1.1 30,-0.2 0.453 45.1 100.1-122.2 -11.9 7.4 38.5 -19.2 178 172 A V E - g 0 207B 2 28,-3.3 30,-3.2 -4,-0.3 -110,-0.2 -0.733 43.2-175.2 -90.4 126.3 9.4 41.4 -17.8 179 173 A D E S+ 0 0 3 -112,-2.1 33,-2.6 -2,-0.5 2,-0.3 0.814 72.8 14.3 -87.1 -31.5 9.3 44.6 -19.8 180 174 A A E -dg 68 212B 0 -113,-1.7 -111,-2.4 31,-0.2 2,-0.4 -0.997 64.6-148.4-151.0 134.2 11.8 46.5 -17.7 181 175 A W E -dg 69 213B 1 31,-1.2 33,-1.4 -2,-0.3 2,-0.7 -0.878 1.7-161.9-105.1 137.7 14.4 45.7 -15.0 182 176 A F E -dg 70 214B 0 -113,-2.8 -111,-2.0 -2,-0.4 2,-1.3 -0.950 12.8-166.8-111.6 99.3 15.4 48.0 -12.2 183 177 A L E +dg 71 215B 0 31,-2.4 33,-0.5 -2,-0.7 2,-0.2 -0.780 27.6 151.3 -94.8 88.7 18.7 46.4 -11.2 184 178 A D + 0 0 11 -2,-1.3 2,-0.3 -113,-0.8 -111,-0.1 -0.463 2.2 120.7-107.4-168.6 19.2 48.2 -7.8 185 179 A G - 0 0 1 -2,-0.2 2,-0.1 -151,-0.2 -113,-0.0 -0.806 68.5 -44.4 133.1 174.9 21.1 47.0 -4.8 186 180 A F S S- 0 0 2 -2,-0.3 5,-0.2 1,-0.2 8,-0.1 -0.435 84.1 -68.1 -78.7 155.7 24.0 48.4 -2.8 187 181 A A > - 0 0 37 3,-0.1 3,-2.0 1,-0.1 -1,-0.2 -0.273 48.6-130.2 -51.9 122.8 27.0 49.6 -4.6 188 182 A P G > S+ 0 0 4 0, 0.0 3,-1.9 0, 0.0 7,-0.1 0.791 100.9 65.8 -43.8 -48.3 28.6 46.5 -6.2 189 183 A A G 3 S+ 0 0 101 1,-0.3 -2,-0.1 2,-0.2 -3,-0.0 0.421 117.1 27.0 -62.9 -0.5 32.2 47.1 -5.0 190 184 A K G < S+ 0 0 75 -3,-2.0 -1,-0.3 -4,-0.1 -3,-0.1 -0.003 128.7 40.3-155.1 16.9 31.0 46.6 -1.4 191 185 A N X> + 0 0 10 -3,-1.9 3,-1.6 -5,-0.2 4,-0.7 -0.189 65.9 146.3-143.7 53.5 28.0 44.3 -1.8 192 186 A P G >4 + 0 0 69 0, 0.0 3,-1.8 0, 0.0 -3,-0.1 0.932 57.4 81.6 -57.5 -27.5 29.6 42.1 -4.5 193 187 A D G 34 S+ 0 0 136 1,-0.3 3,-0.1 2,-0.1 0, 0.0 0.622 94.7 39.1 -48.3 -32.4 27.6 39.3 -2.9 194 188 A M G <4 S+ 0 0 11 -3,-1.6 2,-1.6 1,-0.2 -1,-0.3 0.716 96.2 78.4 -96.7 -15.0 24.3 40.1 -4.6 195 189 A W S << S+ 0 0 5 -3,-1.8 -1,-0.2 -4,-0.7 2,-0.1 -0.383 71.3 152.1 -91.8 59.2 25.5 41.1 -8.1 196 190 A T > - 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0 0 28 1,-0.1 4,-1.9 2,-0.1 3,-0.8 -0.258 49.8-127.5 -46.7 128.1 31.2 48.6 -12.7 220 214 A G H 3> S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 105.0 54.0 -44.7 -51.1 33.0 46.6 -15.4 221 215 A F H 3> S+ 0 0 88 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.762 108.3 51.2 -65.8 -28.8 32.1 43.1 -14.1 222 216 A V H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.881 109.1 50.1 -71.5 -44.2 28.4 44.0 -14.1 223 217 A R H X S+ 0 0 63 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.976 117.1 40.4 -58.1 -50.1 28.6 45.2 -17.7 224 218 A R H X S+ 0 0 140 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.907 111.7 56.0 -69.0 -39.7 30.3 42.0 -18.8 225 219 A G H X S+ 0 0 4 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.922 110.7 45.2 -55.5 -43.1 28.1 39.8 -16.7 226 220 A L H X>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.7 0.816 110.3 53.1 -76.6 -32.1 25.0 41.2 -18.3 227 221 A Q H ><5S+ 0 0 90 -4,-1.8 3,-0.9 3,-0.2 -1,-0.2 0.919 109.4 49.7 -62.4 -44.0 26.4 40.9 -21.8 228 222 A D H 3<5S+ 0 0 136 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.776 105.2 57.7 -66.7 -28.8 27.2 37.3 -21.1 229 223 A A H 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.705 128.8-100.2 -71.7 -19.9 23.6 36.9 -19.9 230 224 A G T <<5S+ 0 0 11 -3,-0.9 21,-0.4 -4,-0.7 2,-0.3 0.461 77.6 132.1 118.0 -1.1 22.5 38.1 -23.3 231 225 A F < - 0 0 5 -5,-2.5 2,-0.7 19,-0.2 -1,-0.4 -0.649 57.1-127.5 -78.2 144.2 21.7 41.8 -22.9 232 226 A T E -I 249 0B 68 17,-3.3 17,-1.7 -2,-0.3 2,-0.3 -0.831 37.5-152.9 -85.7 116.2 23.0 44.4 -25.3 233 227 A M E -I 248 0B 20 -2,-0.7 2,-0.4 15,-0.2 15,-0.2 -0.681 17.8-174.8-104.1 150.6 24.6 46.9 -23.0 234 228 A Q E -I 247 0B 146 13,-2.7 13,-2.6 -2,-0.3 2,-0.3 -0.998 22.3-130.0-143.6 135.4 25.2 50.6 -23.3 235 229 A K E -I 246 0B 111 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.674 30.5-177.6 -81.1 135.7 27.0 53.1 -21.2 236 230 A R E -I 245 0B 72 9,-2.3 9,-3.3 -2,-0.3 -185,-0.0 -0.965 36.6 -78.5-134.6 155.8 25.0 56.3 -20.5 237 231 A K E -I 244 0B 168 -2,-0.3 7,-0.3 7,-0.2 6,-0.1 -0.191 48.2-122.7 -51.9 137.1 25.8 59.5 -18.7 238 232 A G - 0 0 13 5,-1.4 2,-0.4 4,-0.2 -1,-0.1 -0.394 26.4-102.9 -76.1 156.4 25.6 59.3 -14.9 239 233 A F S > S- 0 0 61 -23,-0.1 3,-0.7 -2,-0.1 5,-0.1 -0.675 81.1 -31.6 -74.7 134.5 23.3 61.5 -12.8 240 234 A G T 3 S- 0 0 50 -2,-0.4 -2,-0.1 1,-0.2 0, 0.0 -0.289 131.8 -2.4 66.7-126.6 25.3 64.3 -11.1 241 235 A R T 3 S+ 0 0 240 -2,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.909 108.3 95.5 -71.7 -45.3 28.9 63.5 -10.1 242 236 A K < - 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0 0 104 -2,-0.3 -45,-0.1 -44,-0.1 3,-0.0 -0.963 35.7-151.3-108.4 114.9 14.8 35.6 -28.4 254 248 A L - 0 0 43 -2,-0.6 2,-0.3 -50,-0.2 -24,-0.0 -0.475 29.6 -90.2 -78.2 149.8 16.2 33.1 -25.8 255 249 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.511 47.4-121.2 -55.5 117.9 15.2 29.4 -25.6 256 250 A L - 0 0 115 -2,-0.3 2,-0.2 1,-0.1 -84,-0.0 -0.486 25.8-119.0 -71.6 129.9 12.2 29.1 -23.3 257 251 A P + 0 0 44 0, 0.0 -82,-0.1 0, 0.0 -1,-0.1 -0.484 29.6 178.2 -68.3 132.4 12.7 26.8 -20.2 258 252 A C + 0 0 71 -2,-0.2 2,-0.4 6,-0.0 6,-0.0 -0.524 14.2 157.4-134.1 71.8 10.5 23.8 -19.7 259 253 A S S S+ 0 0 95 1,-0.2 -87,-0.1 2,-0.1 4,-0.1 -0.762 75.5 11.1 -80.5 143.6 11.6 22.0 -16.6 260 254 A A > + 0 0 33 -2,-0.4 3,-2.2 1,-0.1 -1,-0.2 0.922 69.4 179.3 50.1 59.9 8.8 19.8 -15.3 261 255 A P G > S+ 0 0 13 0, 0.0 348,-2.5 0, 0.0 3,-1.8 0.746 74.7 73.8 -57.4 -25.3 6.4 20.1 -18.3 262 256 A W G 3 S+ 0 0 31 1,-0.3 396,-0.1 346,-0.2 400,-0.1 0.658 99.5 45.1 -63.2 -14.7 4.0 17.8 -16.3 263 257 A F G < S+ 0 0 24 -3,-2.2 -1,-0.3 -4,-0.1 2,-0.1 0.218 81.5 148.3-112.3 14.7 3.2 20.8 -14.1 264 258 A N < - 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