==== 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 TRANSFERASE (METHYLTRANSFERASE) 22-JUN-95 1LCE . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR D.L.BIRDSALL,J.FINER-MOORE,R.M.STROUD . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 0.9 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 . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 0 1 1 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 1 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 1 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 0 130 0, 0.0 3,-2.2 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 166.5 5.4 25.9 -41.8 2 2 A L T 3 + 0 0 29 1,-0.3 37,-0.1 2,-0.1 41,-0.1 0.766 360.0 45.0 -55.7 -32.9 4.5 29.7 -41.8 3 3 A E T >> S+ 0 0 7 1,-0.2 3,-1.6 2,-0.1 4,-0.8 0.471 79.6 102.9 -90.7 4.2 7.6 30.8 -43.5 4 4 A Q H <> + 0 0 71 -3,-2.2 4,-2.5 1,-0.3 3,-0.4 0.832 69.5 68.6 -67.3 -29.8 7.8 28.1 -46.4 5 5 A P H 34 S+ 0 0 40 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.752 100.5 51.7 -49.1 -26.2 6.5 30.6 -49.2 6 6 A Y H <> S+ 0 0 1 -3,-1.6 4,-1.6 2,-0.2 3,-0.3 0.885 112.8 42.9 -76.6 -36.8 9.9 32.5 -48.8 7 7 A L H X S+ 0 0 8 -4,-0.8 4,-2.8 -3,-0.4 3,-0.3 0.947 111.9 52.9 -72.2 -40.9 12.0 29.3 -49.2 8 8 A D H < S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.633 113.7 45.4 -73.1 -15.8 9.8 28.0 -52.1 9 9 A L H > S+ 0 0 0 -4,-0.3 4,-0.8 -3,-0.3 3,-0.4 0.624 109.9 52.7 -98.1 -23.4 10.5 31.4 -53.7 10 10 A A H >X S+ 0 0 1 -4,-1.6 4,-2.2 -3,-0.3 3,-0.9 0.932 110.9 47.1 -77.0 -46.4 14.3 31.5 -52.9 11 11 A K H 3< S+ 0 0 104 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.357 112.4 55.0 -68.3 9.4 14.8 27.9 -54.6 12 12 A K H 34 S+ 0 0 77 -3,-0.4 5,-0.5 -5,-0.2 -1,-0.3 0.573 108.0 42.7-113.9 -25.5 12.7 29.3 -57.4 13 13 A V H XX S+ 0 0 0 -3,-0.9 4,-1.7 -4,-0.8 3,-0.8 0.943 110.4 65.3 -72.6 -48.8 14.8 32.4 -58.1 14 14 A L T 3< S+ 0 0 25 -4,-2.2 4,-0.1 1,-0.3 15,-0.0 -0.493 122.8 3.0 -66.5 127.8 17.8 30.1 -57.7 15 15 A D T 34 S+ 0 0 137 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.851 136.5 44.1 42.7 65.7 17.4 27.7 -60.7 16 16 A E T <4 S+ 0 0 137 -3,-0.8 -1,-0.2 1,-0.6 -3,-0.2 -0.093 91.9 94.2 169.2 -37.5 14.4 28.9 -62.5 17 17 A G S < S- 0 0 14 -4,-1.7 -1,-0.6 -5,-0.5 2,-0.3 -0.450 72.2-133.6 -64.0 144.9 15.4 32.6 -62.4 18 18 A H E -A 30 0A 119 12,-1.4 12,-2.1 -2,-0.1 2,-0.8 -0.739 29.9 -91.3 -98.8 151.6 17.2 33.9 -65.5 19 19 A F E -A 29 0A 115 -2,-0.3 10,-0.3 10,-0.2 8,-0.1 -0.435 45.6-175.1 -70.2 104.4 20.4 36.1 -65.3 20 20 A K E -A 28 0A 82 8,-1.6 8,-3.7 -2,-0.8 -3,-0.0 -0.811 24.2-144.6 -96.0 131.3 19.4 39.8 -65.3 21 21 A P - 0 0 85 0, 0.0 6,-1.4 0, 0.0 -1,-0.2 0.986 34.5-173.7 -38.3 -65.8 22.1 42.5 -65.5 22 22 A D - 0 0 43 5,-0.2 3,-0.3 4,-0.1 5,-0.1 -0.301 41.7 -71.2 79.4-174.8 20.1 44.9 -63.2 23 23 A R S S+ 0 0 161 1,-0.2 2,-2.3 -2,-0.1 -1,-0.1 0.993 126.8 48.6 -74.1 -67.3 21.4 48.5 -62.6 24 24 A T S S- 0 0 53 1,-0.1 2,-2.3 2,-0.0 -1,-0.2 -0.348 108.6-119.2 -75.9 57.4 24.6 48.2 -60.2 25 25 A H S S+ 0 0 167 -2,-2.3 -1,-0.1 -3,-0.3 -3,-0.1 0.247 83.6 114.4 8.8 19.2 25.9 45.4 -62.6 26 26 A T S S- 0 0 63 -2,-2.3 236,-1.0 1,-0.1 237,-0.2 0.177 71.5-126.4 -99.7 21.9 26.0 42.6 -60.1 27 27 A G - 0 0 0 -6,-1.4 235,-2.2 234,-0.1 2,-0.3 0.800 22.3-143.5 55.0 145.7 23.2 40.5 -61.6 28 28 A T E -AB 20 261A 1 -8,-3.7 -8,-1.6 233,-0.2 2,-0.6 -0.677 20.5-130.9-134.2 166.6 20.2 38.9 -60.8 29 29 A Y E -AB 19 260A 56 231,-0.7 231,-1.4 -10,-0.3 2,-0.3 -0.970 46.3-170.9-121.2 105.6 18.0 36.0 -61.2 30 30 A S E +AB 18 259A 6 -12,-2.1 -12,-1.4 -2,-0.6 2,-0.3 -0.713 21.5 178.5 -97.1 161.9 15.0 37.7 -61.8 31 31 A I E - B 0 258A 31 227,-1.5 227,-1.2 -2,-0.3 2,-0.5 -0.852 21.7-138.3-142.1 160.9 11.5 36.5 -62.1 32 32 A F E + B 0 257A 167 -2,-0.3 225,-0.2 1,-0.2 224,-0.1 -0.960 68.4 20.9-125.8 113.3 8.5 38.7 -62.7 33 33 A G E + 0 0 42 223,-1.7 2,-0.3 -2,-0.5 -1,-0.2 0.526 57.1 162.1 102.2 113.1 5.4 38.1 -60.8 34 34 A H E - B 0 255A 45 221,-1.5 221,-2.3 -3,-0.1 2,-0.5 -0.861 17.1-168.2-158.7 129.0 4.9 36.3 -57.6 35 35 A Q E - B 0 254A 106 -2,-0.3 2,-0.4 219,-0.2 219,-0.2 -0.964 14.5-179.3-108.9 127.7 2.1 36.3 -55.0 36 36 A M E - B 0 253A 6 217,-2.2 217,-2.8 -2,-0.5 2,-0.3 -0.981 15.2-140.4-127.7 146.9 3.0 34.6 -51.8 37 37 A R E - B 0 252A 120 -2,-0.4 2,-0.3 215,-0.2 215,-0.2 -0.835 17.6-177.0-115.0 148.0 0.6 34.2 -48.9 38 38 A F E - B 0 251A 3 213,-2.3 213,-3.3 -2,-0.3 2,-0.7 -0.994 12.6-157.3-137.5 123.9 0.8 34.5 -45.2 39 39 A D E > - B 0 250A 57 -2,-0.3 3,-0.9 211,-0.3 211,-0.3 -0.954 14.8-156.4-103.6 120.9 -2.1 33.9 -42.8 40 40 A L G > S+ 0 0 4 209,-2.0 3,-0.7 -2,-0.7 210,-0.2 0.560 77.6 69.6 -87.4 -9.5 -1.2 35.8 -39.8 41 41 A S G 3 S+ 0 0 70 208,-0.8 -1,-0.2 1,-0.2 3,-0.1 0.615 87.5 66.7 -82.1 -2.7 -3.2 34.0 -37.1 42 42 A K G < S- 0 0 181 -3,-0.9 2,-0.2 1,-0.4 -1,-0.2 0.837 126.7 -72.2 -74.0 -25.6 -1.0 30.8 -37.3 43 43 A G < - 0 0 12 -3,-0.7 -1,-0.4 -4,-0.3 238,-0.2 -0.913 68.7 -47.2 156.6-171.1 1.8 33.0 -35.9 44 44 A F - 0 0 2 236,-3.3 2,-1.2 -2,-0.2 187,-0.1 -0.729 46.9-126.5 -98.5 138.6 4.1 35.9 -37.1 45 45 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.093 63.4 112.9 -83.1 35.0 6.0 35.8 -40.5 46 46 A L S S- 0 0 1 -2,-1.2 -43,-0.1 234,-0.1 2,-0.1 -0.820 72.8 -92.7-103.7 160.7 9.6 36.4 -39.9 47 47 A L - 0 0 2 -2,-0.3 5,-0.4 1,-0.2 3,-0.1 -0.311 27.3-175.9 -66.9 133.1 12.1 33.8 -40.5 48 48 A T S S+ 0 0 0 229,-0.2 2,-1.5 1,-0.1 259,-0.6 0.522 83.5 75.4 -95.5 -20.5 13.3 31.3 -37.8 49 49 A T S S+ 0 0 0 257,-0.2 -1,-0.1 1,-0.1 225,-0.1 -0.524 110.7 10.2 -85.6 73.9 15.8 30.0 -40.5 50 50 A K S S- 0 0 12 -2,-1.5 259,-0.3 258,-0.2 2,-0.2 0.212 96.1 -93.1 129.9 114.6 18.3 33.1 -40.3 51 51 A K - 0 0 121 257,-2.3 259,-0.3 -3,-0.1 -3,-0.1 -0.339 41.2-175.8 -49.4 117.7 18.3 35.8 -37.7 52 52 A V - 0 0 3 -5,-0.4 2,-0.5 -2,-0.2 -2,-0.1 -0.950 29.3-116.9-113.3 135.1 16.2 38.9 -38.8 53 53 A P >> - 0 0 58 0, 0.0 4,-1.1 0, 0.0 3,-0.6 -0.637 25.9-172.9 -76.1 115.9 16.2 42.0 -36.3 54 54 A F H 3> S+ 0 0 18 -2,-0.5 4,-2.3 1,-0.2 5,-0.1 0.844 80.1 55.9 -87.7 -29.1 12.8 43.0 -34.8 55 55 A G H 3> S+ 0 0 34 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.679 107.7 55.8 -66.6 -16.6 13.4 46.3 -32.9 56 56 A L H <> S+ 0 0 56 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.938 110.9 40.0 -79.2 -43.6 14.8 47.7 -36.3 57 57 A I H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 5,-0.4 0.925 116.0 53.2 -64.6 -50.8 11.7 47.0 -38.2 58 58 A K H >X S+ 0 0 38 -4,-2.3 4,-2.9 1,-0.2 3,-1.1 0.974 111.8 44.0 -48.6 -67.7 9.6 48.1 -35.3 59 59 A S H 3X S+ 0 0 4 -4,-1.6 4,-1.9 1,-0.3 -2,-0.2 0.716 114.8 50.9 -56.2 -28.0 11.4 51.5 -35.0 60 60 A E H 3X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.3 0.848 115.0 37.8 -75.6 -43.9 11.3 52.0 -38.7 61 61 A L H <>S+ 0 0 0 -4,-1.9 5,-1.1 -5,-0.3 3,-0.9 0.903 110.3 49.3 -62.5 -50.1 8.9 56.0 -37.8 64 64 A F H ><5S+ 0 0 6 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.896 107.4 56.6 -58.5 -39.2 7.0 55.8 -41.1 65 65 A L H 3<5S+ 0 0 5 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.618 100.4 57.1 -74.8 -15.4 3.6 55.8 -39.2 66 66 A H T <<5S- 0 0 73 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.486 107.6-127.4 -80.0 -4.9 4.4 59.1 -37.5 67 67 A G T < 5 + 0 0 24 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.692 60.5 151.4 68.8 11.7 4.9 60.6 -41.0 68 68 A D < - 0 0 48 -5,-1.1 79,-0.4 1,-0.1 -1,-0.3 -0.511 32.8-172.6 -78.3 138.4 8.2 61.7 -39.5 69 69 A T + 0 0 21 -2,-0.2 73,-2.5 78,-0.1 2,-0.6 -0.018 48.7 111.7-118.8 24.4 10.9 61.9 -42.2 70 70 A N B >> -F 141 0B 20 71,-0.2 3,-1.9 1,-0.2 4,-0.8 -0.852 57.0-155.9-116.2 127.9 13.8 62.5 -39.8 71 71 A I H >> S+ 0 0 2 69,-1.9 4,-2.9 -2,-0.6 3,-0.6 0.809 86.8 82.7 -60.9 -27.5 16.6 60.2 -39.1 72 72 A R H 3> S+ 0 0 71 1,-0.3 4,-1.1 68,-0.2 -1,-0.3 0.719 93.7 45.7 -56.0 -24.1 16.9 61.9 -35.7 73 73 A F H <> S+ 0 0 30 -3,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.826 113.1 50.4 -79.4 -36.5 14.1 59.7 -34.3 74 74 A L H S+ 0 0 0 -4,-0.8 5,-2.9 -3,-0.6 4,-1.7 0.942 111.2 46.8 -66.7 -43.0 15.6 56.6 -35.9 75 75 A L H ><5S+ 0 0 13 -4,-2.9 3,-0.6 3,-0.2 -1,-0.2 0.951 106.4 59.5 -64.6 -42.3 19.1 57.3 -34.4 76 76 A Q H 3<5S+ 0 0 138 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.915 111.4 40.9 -55.9 -42.4 17.5 57.9 -31.1 77 77 A H H 3<5S- 0 0 57 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.774 124.0-105.0 -74.3 -24.9 16.1 54.4 -31.2 78 78 A R T <<5S+ 0 0 211 -4,-1.7 2,-0.4 -3,-0.6 -3,-0.2 0.435 75.3 133.0 105.8 33.8 19.4 52.9 -32.7 79 79 A N < + 0 0 0 -5,-2.9 -1,-0.2 -8,-0.2 3,-0.1 -0.811 19.0 162.5-109.3 127.3 18.3 52.4 -36.4 80 80 A H > + 0 0 95 -2,-0.4 3,-1.3 2,-0.1 4,-0.3 0.434 37.3 119.4-134.8 17.0 20.5 53.6 -39.3 81 81 A I T 3 S+ 0 0 43 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.731 85.7 46.9 -40.0 -38.3 19.0 51.6 -42.2 82 82 A W T >> S+ 0 0 8 1,-0.2 3,-1.2 -3,-0.1 4,-0.7 0.689 81.2 100.0 -88.0 -20.1 18.3 55.1 -43.6 83 83 A D H <> + 0 0 7 -3,-1.3 4,-2.2 1,-0.2 3,-0.2 0.686 66.4 67.1 -28.8 -54.8 21.6 56.9 -43.1 84 84 A E H 3> S+ 0 0 55 -4,-0.3 4,-1.2 -3,-0.2 -1,-0.2 0.576 99.0 46.2 -62.6 -20.7 23.3 56.8 -46.6 85 85 A W H <> S+ 0 0 39 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.852 112.4 54.8 -85.1 -29.6 21.0 59.0 -48.8 86 86 A A H >X S+ 0 0 0 -4,-0.7 4,-2.7 2,-0.3 3,-0.7 0.986 112.5 40.3 -54.6 -66.2 21.1 61.5 -46.0 87 87 A F H 3X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.3 5,-0.5 0.919 107.4 65.8 -49.6 -42.4 24.9 61.5 -46.1 88 88 A E H 3X S+ 0 0 93 -4,-1.2 4,-0.5 1,-0.2 -2,-0.3 0.878 110.6 37.8 -50.5 -44.2 24.4 61.4 -50.1 89 89 A K H X< S+ 0 0 78 -4,-2.5 3,-1.9 -3,-0.7 4,-0.4 0.995 118.0 50.2 -69.7 -56.2 22.9 64.8 -49.5 90 90 A W H >< S+ 0 0 3 -4,-2.7 3,-1.1 1,-0.3 6,-0.4 0.793 113.7 41.5 -55.3 -48.4 25.5 66.0 -46.7 91 91 A V H 3< S+ 0 0 21 -4,-2.8 10,-0.3 1,-0.2 -1,-0.3 0.589 114.4 54.8 -75.5 -14.8 28.7 65.1 -48.5 92 92 A K T << S+ 0 0 156 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.225 99.4 103.5 -93.3 7.4 27.2 66.5 -51.8 93 93 A S S < S- 0 0 21 -3,-1.1 4,-0.4 -4,-0.4 3,-0.2 -0.460 82.5-119.8 -96.1 170.4 26.5 69.8 -50.0 94 94 A D S S+ 0 0 136 1,-0.2 3,-0.4 -2,-0.2 -1,-0.1 0.802 115.0 49.8 -70.8 -39.9 27.9 73.3 -49.7 95 95 A E S S+ 0 0 101 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.735 87.2 88.2 -79.8 -13.4 28.4 72.8 -46.0 96 96 A Y + 0 0 16 -6,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.787 51.9 152.9 -55.0 -39.5 30.4 69.5 -46.4 97 97 A H + 0 0 164 -4,-0.4 -1,-0.2 -3,-0.4 -3,-0.1 0.298 38.9 69.5 -10.5 67.8 33.8 71.0 -46.8 98 98 A G S S- 0 0 41 -7,-0.1 2,-1.8 0, 0.0 -1,-0.2 -0.411 88.7 -1.5-151.3-137.0 36.1 68.5 -45.6 99 99 A P S S- 0 0 76 0, 0.0 -2,-0.1 0, 0.0 22,-0.1 -0.009 86.8 -99.7 -81.7 32.2 37.7 65.3 -46.2 100 100 A D - 0 0 70 -2,-1.8 -9,-0.0 1,-0.1 17,-0.0 0.917 36.7-177.7 59.3 112.7 36.1 64.0 -49.3 101 101 A M > + 0 0 1 -10,-0.3 3,-2.7 -3,-0.1 4,-0.2 0.492 22.7 152.8-117.4 7.6 33.3 61.5 -49.2 102 102 A T T 3 S- 0 0 88 1,-0.3 16,-0.0 -11,-0.2 -14,-0.0 0.043 79.3 -9.7 -39.4 114.4 32.6 60.9 -52.8 103 103 A D T >> S+ 0 0 89 1,-0.1 3,-1.8 2,-0.1 4,-1.2 0.558 74.4 161.5 68.7 8.5 31.2 57.4 -53.2 104 104 A F H <> + 0 0 3 -3,-2.7 4,-1.3 1,-0.3 3,-0.3 0.779 63.7 77.8 -6.9 -54.6 31.8 56.2 -49.7 105 105 A G H 34 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.661 107.6 12.9 -43.9 -60.8 29.3 53.6 -50.5 106 106 A H H <4 S+ 0 0 59 -3,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.654 111.5 71.7-122.1 18.2 31.3 51.2 -52.6 107 107 A R H < S+ 0 0 110 -4,-1.2 7,-0.3 -3,-0.3 -2,-0.2 0.572 85.3 91.6 -82.0 -23.9 34.8 52.2 -52.0 108 108 A S S < S+ 0 0 13 -4,-1.3 2,-1.6 -5,-0.3 7,-0.1 -0.514 89.3 28.3 -67.9 150.7 33.9 50.6 -48.6 109 109 A Q S S+ 0 0 141 2,-0.2 2,-0.2 -2,-0.2 -1,-0.2 -0.404 110.8 73.4 71.9 -44.0 34.8 46.8 -48.7 110 110 A K S S- 0 0 132 -2,-1.6 -2,-0.2 -4,-0.5 4,-0.1 0.198 95.1-158.8 -76.9 33.4 37.5 48.1 -51.3 111 111 A D > + 0 0 55 -2,-0.2 4,-0.9 1,-0.1 -1,-0.2 -0.561 44.6 106.0 41.8 -81.6 39.2 49.5 -47.9 112 112 A P T >4 S- 0 0 93 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.654 95.7 -9.8 -88.5 -98.7 41.5 52.2 -48.7 113 113 A E T 34 S+ 0 0 126 1,-0.2 4,-0.2 2,-0.1 5,-0.2 0.692 135.5 62.4 -46.3 -18.5 40.9 55.9 -48.1 114 114 A F T 3>>S+ 0 0 17 -7,-0.3 4,-0.8 3,-0.2 5,-0.5 0.653 75.5 70.2 -97.3 -18.3 37.3 54.6 -47.3 115 115 A A T <<5S+ 0 0 53 -3,-1.0 -1,-0.1 -4,-0.9 -2,-0.1 0.790 116.4 18.9 -76.6 -29.6 36.8 52.2 -44.3 116 116 A A T >5S+ 0 0 74 -4,-0.4 4,-0.8 -3,-0.1 -1,-0.2 0.302 126.5 51.3-115.7 -7.4 37.5 54.5 -41.4 117 117 A V H >5S+ 0 0 52 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.843 112.4 41.8-100.3 -50.6 37.0 57.9 -43.0 118 118 A Y H X5S+ 0 0 27 -4,-0.8 4,-1.2 -5,-0.2 -3,-0.1 0.924 121.3 47.8 -59.1 -40.1 33.6 57.3 -44.6 119 119 A H H >X S+ 0 0 89 -4,-1.4 4,-3.1 1,-0.2 3,-1.2 0.928 109.4 51.5 -61.7 -44.0 25.4 66.4 -35.4 129 129 A V H 3< S+ 0 0 0 -4,-1.4 -2,-0.3 -3,-0.4 -1,-0.2 0.690 106.3 54.1 -70.0 -25.7 21.9 65.2 -36.4 130 130 A L T 3< S+ 0 0 43 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.574 127.3 15.4 -83.3 -10.9 21.1 64.0 -32.9 131 131 A H T <4 S+ 0 0 115 -3,-1.2 2,-0.8 -4,-0.4 -2,-0.2 0.744 99.7 79.4-132.8 -47.6 22.0 67.3 -31.4 132 132 A D X - 0 0 72 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.3 -0.648 66.0-152.7 -75.0 116.4 22.3 70.4 -33.6 133 133 A D T 4 S+ 0 0 119 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.1 0.314 92.4 40.3 -78.4 14.9 18.6 71.2 -33.9 134 134 A A T >> S+ 0 0 60 2,-0.1 3,-1.7 3,-0.1 4,-1.7 0.655 107.2 58.7-130.8 -48.7 19.2 72.8 -37.2 135 135 A F H 3>>S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 5,-1.2 0.880 104.3 58.3 -47.2 -42.4 21.8 70.4 -38.7 136 136 A A H 3<5S+ 0 0 5 -4,-2.1 -1,-0.3 -8,-0.3 5,-0.2 0.820 108.8 43.9 -50.8 -40.0 19.0 67.9 -38.2 137 137 A A H <45S+ 0 0 58 -3,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.742 111.3 48.0 -89.8 -23.4 16.7 69.9 -40.4 138 138 A K H <5S+ 0 0 145 -4,-1.7 -2,-0.2 -3,-0.1 -1,-0.2 0.881 136.6 1.0 -86.7 -32.8 18.9 70.8 -43.3 139 139 A Y T <5S+ 0 0 8 -4,-2.1 -3,-0.2 -5,-0.2 -49,-0.1 0.664 123.7 61.3-125.5 -33.8 20.3 67.3 -43.9 140 140 A G S > S- 0 0 3 -2,-0.9 4,-2.4 -78,-0.1 3,-0.8 -0.743 81.8 -76.0-138.9 177.4 10.1 58.8 -47.6 146 146 A Y H 3> S+ 0 0 8 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.858 123.7 63.6 -61.4 -39.1 7.2 56.6 -46.6 147 147 A G H 3> S+ 0 0 0 -79,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.875 112.7 35.5 -54.4 -33.9 6.0 58.9 -43.8 148 148 A S H <> S+ 0 0 14 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.892 119.5 49.6 -87.3 -30.9 5.2 61.8 -46.3 149 149 A Q H < S+ 0 0 13 -4,-2.4 34,-0.2 2,-0.2 14,-0.2 0.955 121.4 37.3 -64.9 -45.0 4.1 59.4 -49.1 150 150 A W H < S+ 0 0 2 -4,-3.1 14,-1.2 -5,-0.2 13,-1.1 0.947 134.8 16.2 -68.7 -55.1 1.9 57.8 -46.6 151 151 A R H < S+ 0 0 58 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.117 133.0 28.5-117.4 21.6 0.6 60.6 -44.4 152 152 A A < + 0 0 23 -4,-1.6 2,-0.3 8,-0.1 10,-0.2 -0.203 64.1 175.9-174.6 61.0 1.3 63.9 -46.3 153 153 A W E -G 161 0C 60 8,-2.3 8,-2.1 -4,-0.2 2,-0.5 -0.654 39.6-118.5 -72.7 133.6 1.3 63.3 -50.0 154 154 A H E -G 160 0C 106 -2,-0.3 6,-0.2 6,-0.2 -1,-0.1 -0.692 30.8-132.7 -81.6 121.6 1.7 66.7 -51.4 155 155 A T > - 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