==== 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 31-AUG-98 4TMK . COMPND 2 MOLECULE: PROTEIN (THYMIDYLATE KINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.LAVIE,N.OSTERMANN,I.SCHLICHTING . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 46.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 4.3 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 0 0 1 1 0 0 0 2 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A R 0 0 120 0, 0.0 88,-0.0 0, 0.0 93,-0.0 0.000 360.0 360.0 360.0 64.7 34.8 110.7 -7.9 2 3 A S - 0 0 30 87,-0.3 2,-0.3 86,-0.1 92,-0.1 -0.208 360.0-163.7 -62.3 144.8 32.2 109.3 -5.5 3 4 A K - 0 0 51 89,-0.1 92,-2.4 2,-0.0 2,-0.6 -0.925 18.3-134.4-131.4 156.9 32.8 109.3 -1.7 4 5 A Y E -a 95 0A 0 -2,-0.3 129,-2.0 90,-0.2 130,-1.5 -0.950 24.6-173.9-112.8 114.2 31.4 107.5 1.3 5 6 A I E -ab 96 134A 0 90,-2.7 92,-3.3 -2,-0.6 2,-0.4 -0.934 2.9-167.0-111.5 135.3 30.8 109.9 4.2 6 7 A V E -ab 97 135A 1 128,-2.3 130,-2.7 -2,-0.4 2,-0.4 -0.952 9.5-151.8-125.2 140.7 29.6 108.6 7.6 7 8 A I E -ab 98 136A 2 90,-2.7 92,-2.0 -2,-0.4 2,-0.3 -0.926 21.0-177.1-112.4 136.5 28.2 110.4 10.6 8 9 A E E + b 0 137A 1 128,-3.1 130,-3.4 -2,-0.4 2,-0.2 -0.854 18.8 109.3-130.8 164.4 28.8 109.0 14.1 9 10 A G E - b 0 138A 0 -2,-0.3 130,-0.1 128,-0.2 3,-0.1 -0.819 63.2 -59.3 151.1 169.3 27.9 109.7 17.6 10 11 A L > - 0 0 2 128,-0.5 3,-1.7 -2,-0.2 5,-0.2 -0.220 69.3 -83.6 -69.5 166.8 25.7 108.6 20.6 11 12 A E T 3 S+ 0 0 30 1,-0.3 138,-0.2 2,-0.1 -1,-0.1 -0.559 124.8 36.9 -66.9 139.7 21.9 108.4 20.1 12 13 A G T 3 S+ 0 0 19 -2,-0.2 -1,-0.3 136,-0.2 136,-0.1 0.431 82.3 111.9 94.7 -3.4 20.8 112.0 20.8 13 14 A A S < S- 0 0 9 -3,-1.7 -2,-0.1 127,-0.1 -5,-0.1 0.598 86.3-118.2 -78.0 -13.8 23.9 113.5 19.1 14 15 A G > + 0 0 34 -4,-0.2 4,-1.9 131,-0.1 5,-0.1 0.894 50.8 163.9 81.5 42.3 21.7 114.8 16.3 15 16 A K H > S+ 0 0 25 -5,-0.2 4,-1.8 1,-0.2 5,-0.1 0.721 71.3 55.5 -68.8 -20.2 23.1 113.0 13.3 16 17 A T H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 107.9 47.4 -78.2 -38.8 20.1 113.7 11.1 17 18 A T H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.900 112.1 53.1 -64.5 -37.7 20.4 117.5 11.6 18 19 A A H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.919 106.4 51.7 -62.9 -43.0 24.1 117.0 10.9 19 20 A R H X S+ 0 0 53 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.832 103.8 57.6 -63.7 -32.4 23.4 115.2 7.6 20 21 A N H X S+ 0 0 83 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.947 109.4 45.4 -61.8 -46.1 21.1 118.1 6.6 21 22 A V H X S+ 0 0 7 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.926 112.0 52.1 -61.9 -45.1 24.1 120.5 6.9 22 23 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.903 111.7 46.7 -57.3 -42.7 26.3 118.0 5.1 23 24 A V H X S+ 0 0 23 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.895 112.2 48.5 -67.4 -44.1 23.9 117.8 2.2 24 25 A E H X S+ 0 0 107 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.964 113.6 48.7 -62.3 -49.4 23.4 121.5 2.0 25 26 A T H X S+ 0 0 3 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.950 113.0 45.8 -55.0 -53.6 27.2 122.0 2.0 26 27 A L H <>S+ 0 0 0 -4,-2.8 5,-3.2 1,-0.2 -1,-0.2 0.868 113.0 51.0 -58.7 -37.5 27.8 119.4 -0.6 27 28 A E H ><5S+ 0 0 88 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.920 106.4 53.0 -67.9 -42.2 25.0 120.8 -2.8 28 29 A Q H 3<5S+ 0 0 159 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.739 108.5 53.4 -62.7 -22.4 26.4 124.3 -2.5 29 30 A L T 3<5S- 0 0 73 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.220 125.4-102.7 -97.0 12.8 29.7 122.7 -3.7 30 31 A G T < 5S+ 0 0 38 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.620 81.7 129.6 79.0 13.2 28.0 121.2 -6.8 31 32 A I < + 0 0 25 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.892 17.5 143.7-101.5 110.0 27.8 117.6 -5.4 32 33 A R + 0 0 164 -2,-0.7 2,-1.0 1,-0.1 -1,-0.1 0.648 37.0 89.2-123.8 -18.8 24.3 116.4 -5.8 33 34 A D + 0 0 86 59,-0.1 61,-3.0 62,-0.0 2,-0.3 -0.737 59.6 126.7 -87.5 104.8 24.2 112.7 -6.7 34 35 A M E -c 94 0A 30 -2,-1.0 2,-0.3 59,-0.3 61,-0.2 -0.984 40.3-153.8-153.7 158.7 24.0 110.8 -3.4 35 36 A V E -c 95 0A 60 59,-1.9 61,-2.5 -2,-0.3 2,-0.3 -0.925 20.5-126.5-133.1 157.2 22.0 108.2 -1.5 36 37 A F E -c 96 0A 92 -2,-0.3 2,-0.3 59,-0.2 61,-0.2 -0.770 20.4-175.3-107.0 152.4 21.6 107.7 2.3 37 38 A T E -c 97 0A 10 59,-2.0 61,-2.6 -2,-0.3 2,-0.3 -0.972 5.8-162.5-141.3 153.4 22.1 104.6 4.4 38 39 A R E -c 98 0A 84 -2,-0.3 61,-0.2 59,-0.2 62,-0.1 -0.989 24.0-110.3-136.2 141.7 21.5 103.9 8.0 39 40 A E S S+ 0 0 5 59,-2.1 2,-0.1 -2,-0.3 3,-0.1 -0.970 96.7 32.5-127.5 140.0 23.0 101.1 10.2 40 41 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.548 126.1 27.7 -77.9 142.4 21.8 98.8 11.4 41 42 A G + 0 0 1 -2,-0.1 39,-0.1 35,-0.0 5,-0.1 -0.928 45.4 125.2 142.4-167.3 19.4 98.5 8.5 42 43 A G S S+ 0 0 35 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.461 76.7 51.2 97.0 -3.2 19.0 99.4 4.8 43 44 A T S > S- 0 0 27 1,-0.1 4,-2.8 41,-0.0 5,-0.2 -0.932 93.2 -99.9-154.9 162.7 18.1 96.0 3.2 44 45 A Q H > S+ 0 0 177 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.949 125.2 43.9 -55.0 -49.2 15.4 93.4 4.1 45 46 A L H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 113.4 49.6 -60.5 -49.9 18.0 91.3 5.8 46 47 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.867 109.7 53.1 -58.5 -37.6 19.6 94.2 7.7 47 48 A E H X S+ 0 0 62 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.889 109.2 48.3 -66.2 -39.2 16.2 95.4 8.8 48 49 A K H X S+ 0 0 146 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.921 114.6 45.9 -66.3 -41.0 15.4 91.9 10.2 49 50 A L H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 107.8 57.8 -66.0 -41.4 18.8 92.0 12.0 50 51 A R H X S+ 0 0 77 -4,-3.1 4,-2.5 1,-0.2 5,-0.4 0.928 106.7 49.3 -52.4 -47.1 18.1 95.5 13.2 51 52 A S H X S+ 0 0 48 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.902 110.1 48.4 -62.7 -42.9 15.0 94.3 14.9 52 53 A L H < S+ 0 0 67 -4,-1.8 6,-0.3 1,-0.2 -1,-0.2 0.878 115.8 47.0 -63.8 -37.3 16.6 91.4 16.7 53 54 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.862 126.2 21.9 -72.2 -39.9 19.4 93.7 17.8 54 55 A L H < S+ 0 0 25 -4,-2.5 103,-2.8 -5,-0.2 -3,-0.2 0.756 90.3 101.9-105.5 -29.7 17.3 96.6 19.1 55 56 A D S >< S- 0 0 87 -4,-2.3 3,-1.3 -5,-0.4 2,-0.2 -0.333 79.3-109.3 -63.0 136.4 13.8 95.5 19.9 56 57 A I T 3 S- 0 0 64 1,-0.3 4,-0.1 2,-0.1 -1,-0.1 -0.486 101.8 -2.3 -65.3 130.6 13.2 95.0 23.6 57 58 A K T > S+ 0 0 147 -2,-0.2 3,-1.2 1,-0.1 -1,-0.3 0.932 80.2 161.3 50.2 49.5 12.8 91.3 24.3 58 59 A S T < S+ 0 0 40 -3,-1.3 -2,-0.1 -6,-0.3 -1,-0.1 0.786 84.8 29.4 -67.9 -26.9 13.2 90.5 20.5 59 60 A V T > S- 0 0 52 1,-0.4 3,-1.4 3,-0.3 -1,-0.3 -0.213 116.9-116.4-125.2 39.3 14.1 87.0 21.7 60 61 A G T < S- 0 0 41 -3,-1.2 -1,-0.4 1,-0.2 -2,-0.1 -0.403 77.6 -17.6 68.3-129.2 12.0 86.9 24.8 61 62 A D T 3 S+ 0 0 159 -2,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.530 105.6 110.0 -90.7 -6.7 13.9 86.5 28.1 62 63 A E < - 0 0 141 -3,-1.4 2,-0.5 1,-0.1 -3,-0.3 -0.465 67.2-132.3 -68.0 138.2 17.1 85.2 26.5 63 64 A V - 0 0 118 -2,-0.2 2,-0.2 -6,-0.1 -2,-0.1 -0.825 17.6-123.9 -95.7 126.1 20.0 87.8 26.6 64 65 A I - 0 0 18 -2,-0.5 2,-0.1 1,-0.1 -1,-0.0 -0.485 31.4-121.2 -66.2 128.5 21.9 88.3 23.4 65 66 A T > - 0 0 88 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.404 17.2-116.6 -71.4 150.6 25.6 87.6 24.0 66 67 A D H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.915 116.8 47.8 -55.6 -41.4 28.0 90.4 23.3 67 68 A K H > S+ 0 0 127 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.873 110.0 50.3 -69.6 -34.9 29.7 88.4 20.5 68 69 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 110.7 52.6 -66.6 -37.6 26.3 87.5 18.9 69 70 A E H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.959 110.0 47.1 -59.6 -50.6 25.6 91.2 19.1 70 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.915 111.9 50.0 -56.9 -47.1 28.8 92.0 17.3 71 72 A L H X S+ 0 0 100 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.848 109.1 50.6 -65.7 -33.7 28.3 89.4 14.6 72 73 A M H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.894 108.1 52.5 -72.3 -35.6 24.8 90.5 13.8 73 74 A F H X S+ 0 0 18 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.927 112.9 46.9 -62.2 -41.3 25.9 94.1 13.4 74 75 A Y H X S+ 0 0 6 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.871 108.7 52.9 -69.2 -34.8 28.5 92.8 11.0 75 76 A A H X S+ 0 0 40 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.939 113.2 44.7 -64.3 -44.0 26.1 90.6 9.1 76 77 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.917 114.7 50.3 -63.7 -44.2 23.8 93.7 8.6 77 78 A R H X S+ 0 0 4 -4,-2.4 4,-3.4 -5,-0.2 5,-0.2 0.958 111.7 44.0 -61.1 -54.0 26.8 95.9 7.7 78 79 A V H X S+ 0 0 29 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.891 111.9 54.2 -65.1 -33.3 28.3 93.6 5.1 79 80 A Q H X S+ 0 0 68 -4,-2.0 4,-2.1 -5,-0.3 5,-0.3 0.971 115.1 41.1 -60.3 -48.3 24.9 92.9 3.5 80 81 A L H X>S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-1.7 0.928 115.6 49.9 -63.0 -48.2 24.4 96.7 3.2 81 82 A V H <>S+ 0 0 3 -4,-3.4 5,-2.8 3,-0.2 -2,-0.2 0.937 116.6 39.9 -57.7 -51.6 28.0 97.4 2.0 82 83 A E H <5S+ 0 0 115 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.827 126.1 32.0 -72.0 -34.7 28.1 94.7 -0.6 83 84 A T H <5S+ 0 0 75 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.698 135.2 13.7 -99.2 -19.8 24.6 95.1 -2.0 84 85 A V T X5S+ 0 0 49 -4,-2.7 4,-2.0 -5,-0.3 -3,-0.2 0.753 122.6 41.8-117.2 -62.3 23.9 98.9 -1.6 85 86 A I H > S+ 0 0 62 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.905 111.9 50.0 -53.6 -40.7 27.3 99.5 -6.1 88 89 A A H ><>S+ 0 0 15 -4,-2.0 5,-2.3 2,-0.2 3,-0.6 0.949 114.0 44.6 -61.6 -49.3 26.2 103.1 -5.5 89 90 A L H ><5S+ 0 0 27 -4,-2.8 3,-2.3 1,-0.3 -87,-0.3 0.933 110.4 54.4 -60.5 -45.8 29.9 104.2 -5.2 90 91 A A H 3<5S+ 0 0 89 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.722 107.3 54.1 -60.8 -19.5 30.8 102.2 -8.2 91 92 A N T <<5S- 0 0 130 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.464 121.6-105.7 -94.5 -2.3 28.1 104.0 -10.0 92 93 A G T < 5S+ 0 0 36 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.458 78.2 131.9 92.9 1.2 29.4 107.5 -9.1 93 94 A T < - 0 0 16 -5,-2.3 -1,-0.3 -6,-0.2 -59,-0.3 -0.746 55.3-130.9 -88.8 130.3 26.7 108.2 -6.5 94 95 A W E - c 0 34A 22 -61,-3.0 -59,-1.9 -2,-0.5 2,-0.4 -0.408 20.0-145.1 -73.5 159.9 28.1 109.5 -3.2 95 96 A V E -ac 4 35A 0 -92,-2.4 -90,-2.7 -61,-0.2 2,-0.6 -0.995 10.6-164.2-132.1 127.4 26.8 107.7 -0.1 96 97 A I E -ac 5 36A 0 -61,-2.5 -59,-2.0 -2,-0.4 2,-0.4 -0.948 16.7-162.0-112.6 115.2 26.1 109.4 3.2 97 98 A G E -ac 6 37A 2 -92,-3.3 -90,-2.7 -2,-0.6 2,-1.0 -0.760 20.9-146.0-103.5 142.1 25.8 106.9 6.1 98 99 A D E S-ac 7 38A 22 -61,-2.6 -59,-2.1 -2,-0.4 -90,-0.1 -0.875 83.7 -15.7-101.3 96.2 24.2 107.3 9.5 99 100 A R + 0 0 29 -92,-2.0 2,-0.2 -2,-1.0 -1,-0.2 0.265 69.9 167.8 84.1 148.7 26.6 105.0 11.4 100 101 A H >> - 0 0 1 -3,-0.1 3,-1.5 -94,-0.1 4,-0.7 -0.744 61.2 -32.0-161.7-148.5 29.0 102.4 10.1 101 102 A D H >> S+ 0 0 0 1,-0.3 4,-2.2 -2,-0.2 3,-0.5 0.791 123.2 68.1 -57.8 -31.1 31.9 100.4 11.5 102 103 A L H 3> S+ 0 0 9 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.854 94.3 60.6 -58.3 -30.6 33.0 103.0 14.0 103 104 A S H <> S+ 0 0 12 -3,-1.5 4,-3.2 2,-0.2 5,-0.5 0.920 105.3 46.9 -61.3 -44.2 29.8 102.4 15.8 104 105 A T H S+ 0 0 0 -4,-0.7 5,-1.6 -3,-0.5 4,-1.6 0.942 112.2 49.7 -63.6 -45.4 30.8 98.7 16.4 105 106 A Q H <>S+ 0 0 37 -4,-2.2 5,-1.2 3,-0.2 -2,-0.2 0.912 118.8 38.8 -60.4 -41.3 34.3 99.7 17.6 106 107 A A H X>S+ 0 0 0 -4,-2.7 5,-1.7 3,-0.2 4,-0.6 0.951 125.4 33.2 -77.0 -49.2 32.8 102.3 20.0 107 108 A Y H <>S+ 0 0 12 -4,-3.2 5,-2.6 3,-0.2 6,-0.3 0.950 131.4 29.1 -74.8 -50.6 29.8 100.4 21.3 108 109 A Q T <5S+ 0 0 3 -4,-1.6 6,-2.9 -5,-0.5 5,-0.5 0.875 131.4 40.3 -78.9 -33.8 30.9 96.8 21.2 109 110 A G T > - 0 0 101 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.255 26.4-139.2 -54.5 128.3 38.8 93.3 22.6 116 117 A Q H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.821 103.4 56.0 -56.8 -37.4 39.9 95.9 20.1 117 118 A H H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 108.4 47.5 -60.6 -47.8 42.3 93.4 18.4 118 119 A M H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.922 111.2 50.5 -59.7 -45.7 39.4 91.0 17.9 119 120 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.892 110.1 52.2 -60.7 -38.1 37.2 93.8 16.5 120 121 A A H X S+ 0 0 47 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.922 109.1 47.0 -65.6 -45.5 40.0 94.8 14.1 121 122 A T H X S+ 0 0 81 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.905 112.1 51.6 -66.7 -35.5 40.4 91.3 12.8 122 123 A L H X S+ 0 0 33 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.957 109.2 50.2 -63.0 -48.8 36.7 91.0 12.3 123 124 A R H X>S+ 0 0 32 -4,-2.8 4,-3.2 1,-0.2 5,-0.8 0.937 114.3 44.6 -55.7 -45.1 36.5 94.3 10.4 124 125 A D H X5S+ 0 0 86 -4,-2.4 4,-1.2 3,-0.2 -1,-0.2 0.910 114.4 48.5 -67.1 -40.6 39.3 93.2 8.1 125 126 A A H <5S+ 0 0 83 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.888 122.7 33.6 -64.7 -40.5 37.9 89.7 7.6 126 127 A V H <5S+ 0 0 44 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.904 136.3 16.7 -84.3 -45.7 34.4 91.0 6.9 127 128 A L H ><5S- 0 0 13 -4,-3.2 3,-1.8 -5,-0.3 -3,-0.2 0.542 81.9-159.6-108.1 -11.9 35.1 94.3 5.0 128 129 A G T 3<< - 0 0 31 -4,-1.2 -1,-0.3 -5,-0.8 -2,-0.1 -0.461 69.6 -23.7 68.1-132.8 38.7 94.1 4.0 129 130 A D T 3 S+ 0 0 146 -2,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.332 97.5 128.2 -96.5 6.0 40.1 97.5 3.3 130 131 A F < + 0 0 25 -3,-1.8 -3,-0.1 -6,-0.1 -49,-0.0 -0.454 32.1 159.8 -64.4 128.6 36.7 99.2 2.6 131 132 A R - 0 0 88 -2,-0.2 -127,-0.2 -30,-0.0 2,-0.2 -0.976 45.5 -95.2-147.3 158.5 36.4 102.4 4.7 132 133 A P - 0 0 14 0, 0.0 -127,-0.2 0, 0.0 3,-0.1 -0.515 28.3-137.6 -72.1 146.3 34.4 105.6 4.7 133 134 A D S S+ 0 0 62 -129,-2.0 2,-0.3 1,-0.3 -128,-0.2 0.742 88.2 15.0 -77.1 -23.9 36.4 108.5 3.0 134 135 A L E -b 5 0A 0 -130,-1.5 -128,-2.3 49,-0.0 2,-0.4 -0.981 67.0-167.3-150.0 138.5 35.3 110.9 5.7 135 136 A T E -bd 6 183A 6 47,-2.5 49,-3.0 -2,-0.3 2,-0.6 -0.996 6.4-159.4-130.1 135.2 33.7 110.3 9.1 136 137 A L E -bd 7 184A 0 -130,-2.7 -128,-3.1 -2,-0.4 2,-0.8 -0.933 8.3-164.1-114.1 103.5 32.1 113.0 11.2 137 138 A Y E -bd 8 185A 0 47,-2.6 49,-2.9 -2,-0.6 2,-0.9 -0.806 8.6-151.8 -91.6 113.4 32.0 112.0 14.8 138 139 A L E -bd 9 186A 1 -130,-3.4 -128,-0.5 -2,-0.8 2,-0.5 -0.753 12.0-149.1 -88.4 105.0 29.5 114.2 16.7 139 140 A D E + d 0 187A 15 47,-2.9 49,-1.7 -2,-0.9 2,-0.3 -0.599 28.0 158.3 -80.5 123.3 30.6 114.3 20.3 140 141 A V - 0 0 2 -2,-0.5 -130,-0.1 47,-0.1 49,-0.1 -0.964 44.6 -99.5-138.8 151.3 27.9 114.8 22.9 141 142 A T > - 0 0 38 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.438 30.9-120.8 -72.1 149.9 27.8 114.0 26.6 142 143 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.874 111.6 54.0 -56.1 -40.5 26.1 110.7 27.6 143 144 A E H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 111.0 44.6 -64.7 -40.0 23.5 112.5 29.8 144 145 A V H > S+ 0 0 48 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.884 112.7 51.2 -73.3 -38.3 22.4 114.8 27.0 145 146 A G H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.949 113.9 44.3 -62.8 -46.7 22.3 112.0 24.4 146 147 A L H X S+ 0 0 30 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.894 109.2 55.9 -64.2 -43.4 20.1 109.9 26.8 147 148 A K H X S+ 0 0 149 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.937 111.5 44.9 -54.1 -46.1 17.9 112.9 27.7 148 149 A R H X S+ 0 0 120 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.881 110.6 52.8 -66.4 -40.4 17.1 113.4 24.0 149 150 A A H X S+ 0 0 1 -4,-2.1 4,-1.3 -138,-0.2 -2,-0.2 0.925 112.1 46.3 -61.5 -44.1 16.6 109.7 23.3 150 151 A R H < S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.858 108.5 54.4 -67.5 -36.0 14.0 109.5 26.2 151 152 A A H < S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.823 107.3 54.8 -67.0 -28.0 12.3 112.7 25.1 152 153 A R H < S- 0 0 168 -4,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.839 118.9 -94.1 -73.5 -35.9 11.9 111.0 21.7 153 154 A G S < S+ 0 0 35 -4,-1.3 -1,-0.2 -5,-0.1 2,-0.0 -0.997 74.1 6.0 156.2-154.3 10.2 107.8 22.9 154 155 A E S S- 0 0 187 -2,-0.3 2,-0.3 1,-0.1 -3,-0.0 -0.344 70.2-120.9 -62.8 142.5 10.8 104.2 24.0 155 156 A L - 0 0 23 1,-0.1 -99,-0.1 2,-0.1 -1,-0.1 -0.683 21.4-126.1 -89.5 136.4 14.5 103.3 24.3 156 157 A D > - 0 0 34 -2,-0.3 4,-0.9 1,-0.1 -101,-0.2 -0.116 39.7 -88.2 -69.0 177.1 15.8 100.4 22.2 157 158 A R T 4 S+ 0 0 45 -103,-2.8 3,-0.4 1,-0.2 -103,-0.1 0.881 127.9 42.4 -56.6 -42.6 17.7 97.5 23.9 158 159 A I T >4 S+ 0 0 8 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 0.908 107.7 58.2 -74.6 -39.5 21.1 99.2 23.7 159 160 A E T 34 S+ 0 0 3 1,-0.3 -1,-0.2 -105,-0.1 -2,-0.2 0.653 93.4 70.1 -66.3 -11.9 19.9 102.7 24.7 160 161 A Q T 3< S+ 0 0 111 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.1 0.403 80.4 116.7 -83.4 5.1 18.6 101.2 28.0 161 162 A E S < S- 0 0 66 -3,-2.0 -3,-0.0 1,-0.1 2,-0.0 -0.048 72.3 -87.0 -68.1 173.2 22.3 100.7 29.0 162 163 A S > - 0 0 53 1,-0.1 4,-1.6 4,-0.0 5,-0.2 -0.243 32.0-110.2 -78.1 169.7 24.0 102.4 32.0 163 164 A F H > S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.909 121.4 56.2 -64.5 -41.0 25.7 105.8 32.1 164 165 A D H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.838 103.2 55.4 -59.7 -32.6 29.0 104.0 32.4 165 166 A F H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 113.2 39.7 -65.7 -44.9 28.2 102.1 29.2 166 167 A F H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.852 113.1 56.1 -71.9 -35.6 27.6 105.3 27.2 167 168 A N H X S+ 0 0 65 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.953 111.0 43.8 -59.6 -51.2 30.6 107.0 29.0 168 169 A R H X S+ 0 0 114 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.881 113.7 51.9 -62.5 -38.3 32.9 104.1 27.8 169 170 A T H X S+ 0 0 0 -4,-1.9 4,-1.6 -59,-0.2 -1,-0.2 0.907 109.4 48.6 -66.1 -43.3 31.4 104.2 24.4 170 171 A R H X S+ 0 0 58 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.947 110.5 51.3 -59.5 -52.1 31.9 108.0 24.0 171 172 A A H X S+ 0 0 50 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.913 109.8 49.2 -53.9 -47.6 35.6 107.7 25.2 172 173 A R H X S+ 0 0 59 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.853 106.2 57.1 -64.7 -31.7 36.3 105.0 22.7 173 174 A Y H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.969 112.5 41.3 -60.9 -50.1 34.7 107.1 19.9 174 175 A L H X S+ 0 0 58 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.938 113.3 53.5 -61.9 -47.2 37.2 109.9 20.7 175 176 A E H X S+ 0 0 114 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.919 112.7 43.2 -55.3 -46.3 40.1 107.5 21.2 176 177 A L H >< S+ 0 0 21 -4,-2.8 3,-0.6 1,-0.2 4,-0.4 0.840 111.9 54.0 -70.4 -31.8 39.5 105.9 17.7 177 178 A A H >< S+ 0 0 5 -4,-2.0 3,-1.3 -5,-0.3 6,-0.3 0.886 101.1 61.0 -68.9 -36.8 39.0 109.3 16.1 178 179 A A H 3< S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.707 104.7 49.0 -63.0 -21.1 42.3 110.5 17.5 179 180 A Q T << S+ 0 0 163 -4,-0.6 2,-0.5 -3,-0.6 -1,-0.3 0.508 106.1 60.2 -98.5 -5.2 44.1 107.8 15.6 180 181 A D X - 0 0 63 -3,-1.3 3,-1.3 -4,-0.4 -1,-0.1 -0.969 60.6-161.4-127.3 119.4 42.5 108.4 12.2 181 182 A K T 3 S+ 0 0 197 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.667 91.5 61.7 -72.0 -13.4 42.8 111.8 10.5 182 183 A S T 3 S+ 0 0 36 1,-0.1 -47,-2.5 -48,-0.1 2,-0.7 0.435 91.3 76.2 -90.3 -0.2 39.8 111.0 8.2 183 184 A I E < S-d 135 0A 18 -3,-1.3 2,-0.4 -6,-0.3 -3,-0.2 -0.934 75.2-158.0-111.7 108.2 37.6 110.8 11.2 184 185 A H E -d 136 0A 59 -49,-3.0 -47,-2.6 -2,-0.7 2,-0.9 -0.732 11.4-138.2 -94.0 133.7 36.9 114.3 12.5 185 186 A T E -d 137 0A 68 -2,-0.4 2,-0.5 -49,-0.2 -47,-0.2 -0.776 21.8-165.6 -91.6 106.8 35.8 115.0 16.1 186 187 A I E -d 138 0A 6 -49,-2.9 -47,-2.9 -2,-0.9 2,-1.1 -0.787 22.1-127.1 -94.2 127.8 33.0 117.6 16.0 187 188 A D E > +d 139 0A 71 -2,-0.5 3,-0.5 -49,-0.2 11,-0.1 -0.616 34.5 171.2 -74.0 101.7 32.1 119.3 19.3 188 189 A A T 3 + 0 0 9 -49,-1.7 -1,-0.1 -2,-1.1 -47,-0.1 0.014 61.5 80.8-102.7 28.1 28.4 118.7 19.4 189 190 A T T 3 S+ 0 0 66 -49,-0.1 -1,-0.2 2,-0.1 -49,-0.1 0.233 78.6 92.1-107.0 4.8 27.9 120.0 23.0 190 191 A Q S < S- 0 0 93 -3,-0.5 5,-0.1 1,-0.2 0, 0.0 -0.547 96.9 -74.4 -93.2 161.0 27.9 123.5 21.6 191 192 A P >> - 0 0 84 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.192 52.0-104.3 -55.4 152.2 24.8 125.4 20.5 192 193 A L H 3> S+ 0 0 108 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.810 118.5 52.7 -46.9 -45.7 23.3 124.2 17.2 193 194 A E H 3> S+ 0 0 145 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.876 110.1 48.6 -63.3 -37.2 24.5 127.0 15.0 194 195 A A H <> S+ 0 0 50 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.935 113.3 48.2 -67.7 -46.1 28.1 126.5 16.3 195 196 A V H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.936 110.0 50.9 -59.0 -48.7 27.8 122.8 15.5 196 197 A M H X S+ 0 0 75 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.818 110.4 51.0 -59.7 -32.2 26.4 123.3 12.1 197 198 A D H X S+ 0 0 100 -4,-1.5 4,-2.6 -5,-0.2 5,-0.2 0.912 106.5 52.2 -71.8 -44.1 29.2 125.7 11.3 198 199 A A H X S+ 0 0 34 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.930 112.3 47.4 -55.9 -47.5 31.9 123.3 12.4 199 200 A I H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.924 110.3 51.8 -61.4 -47.8 30.4 120.6 10.1 200 201 A R H X S+ 0 0 77 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.912 113.5 42.7 -58.8 -44.6 30.1 123.0 7.2 201 202 A T H X S+ 0 0 77 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.942 113.7 51.0 -70.4 -43.1 33.8 124.1 7.3 202 203 A T H X S+ 0 0 27 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.941 116.1 42.5 -55.0 -49.4 35.1 120.6 7.9 203 204 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.936 114.2 50.2 -63.9 -48.5 33.2 119.3 5.0 204 205 A T H X S+ 0 0 53 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.925 113.3 46.3 -57.4 -47.1 34.0 122.3 2.8 205 206 A H H X S+ 0 0 99 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.950 111.0 50.8 -61.2 -51.1 37.7 122.0 3.5 206 207 A W H < S+ 0 0 38 -4,-2.6 4,-0.4 -5,-0.3 -1,-0.2 0.906 113.6 46.7 -54.6 -43.2 37.8 118.2 3.0 207 208 A V H >< S+ 0 0 21 -4,-2.7 3,-1.1 2,-0.2 -1,-0.2 0.907 110.1 52.1 -67.3 -41.5 36.1 118.7 -0.4 208 209 A K H 3< S+ 0 0 139 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.888 110.4 49.4 -61.2 -38.5 38.4 121.6 -1.4 209 210 A E T 3< 0 0 113 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.558 360.0 360.0 -76.3 -9.1 41.3 119.3 -0.6 210 211 A L < 0 0 100 -3,-1.1 -3,-0.0 -4,-0.4 -4,-0.0 -0.517 360.0 360.0 -61.6 360.0 39.8 116.6 -2.7