==== 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 12-JAN-03 1NN3 . COMPND 2 MOLECULE: SIMILAR TO THYMIDYLATE KINASE (DTMP KINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,D.SEGURA-PENA,C.MEIER,T.VEIT,M.MONNERJAHN,M.KONR . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 75.6 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 . 3 1.4 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 . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 2 0 0 0 2 1 0 0 1 2 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 4 A R 0 0 222 0, 0.0 199,-0.1 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 105.1 -8.7 65.5 5.0 2 5 A R - 0 0 37 198,-0.2 83,-0.2 197,-0.2 82,-0.1 -0.225 360.0-116.2 -65.8 156.3 -5.8 67.3 6.7 3 6 A G - 0 0 2 81,-2.1 2,-0.3 85,-0.3 86,-0.2 -0.290 32.6-106.1 -77.0 168.3 -4.4 66.5 10.1 4 7 A A - 0 0 0 83,-0.2 86,-2.5 -2,-0.1 2,-0.7 -0.741 17.6-133.6 -94.0 152.8 -4.5 69.0 12.9 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.5 118,-0.2 121,-1.4 -0.914 29.5-175.8-107.0 108.5 -1.4 70.9 14.3 6 9 A I E -ab 91 126A 0 84,-3.4 86,-3.0 -2,-0.7 2,-0.4 -0.959 5.0-166.0-113.1 124.3 -1.5 70.6 18.0 7 10 A V E -ab 92 127A 0 119,-2.5 121,-2.9 -2,-0.5 2,-0.5 -0.905 8.0-154.9-110.0 139.2 1.0 72.4 20.2 8 11 A L E +ab 93 128A 0 84,-3.0 86,-2.4 -2,-0.4 2,-0.3 -0.944 22.4 163.9-109.9 125.8 1.8 71.9 23.9 9 12 A E E + b 0 129A 0 119,-3.0 121,-2.9 -2,-0.5 2,-0.2 -0.807 12.9 130.1-126.8 167.1 3.2 74.8 25.8 10 13 A G E - b 0 130A 2 119,-0.3 121,-0.2 -2,-0.3 4,-0.2 -0.831 51.7 -56.8 158.5 163.3 3.4 75.2 29.6 11 14 A V S > S- 0 0 22 119,-1.6 3,-2.5 -2,-0.2 5,-0.3 -0.088 74.8 -67.1 -67.7 164.7 5.4 76.0 32.7 12 15 A D T 3 S+ 0 0 22 1,-0.3 -1,-0.2 2,-0.1 131,-0.0 -0.213 122.0 4.9 -58.4 134.2 8.5 74.1 33.7 13 16 A R T 3 S+ 0 0 56 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.674 90.6 132.5 64.5 21.4 7.9 70.5 34.7 14 17 A A S < S- 0 0 3 -3,-2.5 -2,-0.1 -4,-0.2 -3,-0.1 0.809 80.4-104.6 -71.5 -22.5 4.3 71.1 33.7 15 18 A G S > S+ 0 0 15 -4,-0.3 4,-3.1 -5,-0.1 5,-0.3 0.613 70.3 144.1 109.4 22.3 4.4 67.9 31.7 16 19 A K H > S+ 0 0 11 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.935 79.4 41.3 -56.9 -51.7 4.7 69.0 28.0 17 20 A S H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 116.5 47.8 -67.3 -45.3 6.9 66.1 27.0 18 21 A T H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.927 116.3 44.3 -58.3 -48.3 5.1 63.5 29.0 19 22 A Q H X S+ 0 0 6 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.844 110.4 53.9 -70.1 -28.5 1.7 64.6 27.7 20 23 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.941 111.7 45.8 -68.2 -42.5 2.9 65.0 24.1 21 24 A R H X S+ 0 0 136 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.952 114.8 46.7 -63.5 -45.6 4.2 61.4 24.1 22 25 A K H X S+ 0 0 40 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.834 110.6 54.1 -66.8 -34.2 1.0 60.1 25.8 23 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.937 108.5 46.8 -65.7 -49.2 -1.2 62.0 23.3 24 27 A V H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.936 113.1 50.7 -57.1 -43.5 0.4 60.6 20.2 25 28 A E H X S+ 0 0 129 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.931 113.5 44.4 -59.6 -47.8 0.2 57.1 21.6 26 29 A A H X S+ 0 0 20 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.876 112.0 51.1 -67.0 -40.8 -3.5 57.5 22.5 27 30 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 3,-0.6 0.920 112.3 47.3 -62.5 -45.0 -4.4 59.1 19.2 28 31 A C H ><5S+ 0 0 60 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.903 108.8 53.8 -65.0 -34.9 -2.7 56.3 17.2 29 32 A A H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.741 106.1 55.4 -69.3 -19.7 -4.4 53.6 19.4 30 33 A A T <<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.129 128.3 -95.9 -96.9 17.7 -7.7 55.3 18.5 31 34 A G T < 5S+ 0 0 70 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.499 82.2 129.0 87.2 0.0 -7.1 55.0 14.7 32 35 A H < - 0 0 48 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.609 60.8-125.4 -82.6 159.2 -5.7 58.3 14.0 33 36 A R + 0 0 141 54,-0.4 56,-2.8 -2,-0.2 2,-0.3 -0.920 49.5 157.2 -97.0 109.9 -2.4 58.9 12.1 34 37 A A E -c 89 0A 8 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.993 20.9-171.2-140.6 145.8 -0.5 61.1 14.5 35 38 A E E -c 90 0A 74 54,-2.5 56,-2.7 -2,-0.3 2,-0.4 -0.951 20.3-119.7-139.4 151.8 3.2 61.9 15.0 36 39 A L E +c 91 0A 51 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.804 27.4 172.9 -94.1 137.1 5.3 63.7 17.6 37 40 A L E -c 92 0A 18 54,-3.0 56,-2.4 -2,-0.4 2,-0.3 -0.879 8.0-167.2-131.2 160.8 7.5 66.7 17.0 38 41 A R E -c 93 0A 85 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.989 18.6-107.7-144.6 157.2 9.5 68.9 19.4 39 42 A F S S+ 0 0 8 54,-2.4 2,-0.2 -2,-0.3 30,-0.0 -0.997 100.0 41.9-133.2 137.9 11.3 72.2 19.4 40 43 A P S S- 0 0 17 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.541 80.6-154.7 -69.5 149.6 14.1 72.7 19.5 41 44 A E > - 0 0 26 -2,-0.2 3,-0.9 1,-0.1 6,-0.2 -0.854 12.3-169.1 -89.9 96.4 14.7 69.9 17.1 42 45 A R T 3 + 0 0 86 -2,-1.1 9,-0.2 1,-0.2 -1,-0.1 0.474 66.2 78.9 -74.4 -1.9 18.2 69.2 18.3 43 46 A S T 3 S+ 0 0 72 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.677 77.9 78.3 -81.5 -22.8 19.2 66.8 15.5 44 47 A T S <> S- 0 0 26 -3,-0.9 4,-2.8 1,-0.1 5,-0.2 -0.290 96.0-100.9 -82.4 172.3 19.8 69.4 12.7 45 48 A E H > S+ 0 0 166 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.937 128.4 43.6 -52.9 -49.5 22.9 71.5 12.3 46 49 A I H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 111.0 54.5 -62.9 -43.5 21.0 74.4 13.8 47 50 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.856 104.0 55.6 -62.2 -33.2 19.6 72.2 16.5 48 51 A K H X S+ 0 0 124 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.876 107.2 49.0 -66.8 -37.5 23.1 71.1 17.5 49 52 A L H X S+ 0 0 95 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.913 113.1 48.4 -65.2 -38.9 24.1 74.7 18.0 50 53 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.884 110.0 50.6 -68.4 -38.0 21.0 75.3 20.1 51 54 A S H X S+ 0 0 19 -4,-2.5 4,-2.0 2,-0.2 6,-0.2 0.915 110.0 50.6 -67.2 -40.6 21.5 72.2 22.2 52 55 A S H <>S+ 0 0 33 -4,-2.3 5,-2.3 1,-0.2 6,-1.0 0.933 111.1 49.2 -62.4 -41.6 25.1 73.2 22.9 53 56 A Y H ><5S+ 0 0 7 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.927 111.0 48.5 -60.0 -49.0 23.9 76.7 23.9 54 57 A L H 3<5S+ 0 0 13 -4,-2.4 93,-2.7 1,-0.3 -1,-0.2 0.822 109.8 53.1 -63.2 -31.5 21.2 75.3 26.3 55 58 A Q T 3<5S- 0 0 74 -4,-2.0 -1,-0.3 91,-0.2 -2,-0.2 0.514 113.3-120.6 -80.1 -6.3 23.8 73.0 27.8 56 59 A K T < 5S+ 0 0 126 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.689 81.4 122.6 72.5 21.1 26.0 76.0 28.5 57 60 A K S - 0 0 112 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.227 38.3-118.2 -53.4 139.2 24.6 86.3 21.4 62 65 A D H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.811 110.5 43.3 -59.3 -36.9 21.0 86.7 22.5 63 66 A H H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 113.7 52.0 -74.4 -42.6 19.5 87.9 19.2 64 67 A S H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.952 110.9 47.3 -57.4 -47.0 21.5 85.3 17.2 65 68 A V H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.918 108.8 54.4 -65.9 -36.9 20.2 82.5 19.3 66 69 A H H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.937 110.1 47.6 -56.6 -45.2 16.6 83.7 19.1 67 70 A L H X S+ 0 0 81 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.876 108.9 53.8 -67.8 -34.5 16.9 83.6 15.3 68 71 A L H X S+ 0 0 35 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 106.0 53.1 -63.3 -43.1 18.4 80.1 15.4 69 72 A F H X S+ 0 0 21 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.900 113.3 43.3 -59.3 -39.3 15.5 78.9 17.4 70 73 A S H >X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 3,-0.8 0.906 111.1 53.8 -70.7 -44.8 13.1 80.3 14.8 71 74 A A H 3X S+ 0 0 36 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.888 102.8 60.1 -56.4 -34.0 15.2 79.0 11.9 72 75 A N H 3< S+ 0 0 0 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.795 106.9 45.3 -64.8 -31.2 15.0 75.6 13.5 73 76 A R H X< S+ 0 0 5 -4,-0.8 3,-1.4 -3,-0.8 4,-0.3 0.935 110.8 52.6 -76.4 -45.0 11.2 75.7 13.2 74 77 A W H >< S+ 0 0 94 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.859 100.3 61.9 -61.7 -31.0 11.3 77.0 9.6 75 78 A E T 3< S+ 0 0 73 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.774 106.7 47.1 -67.0 -21.3 13.6 74.1 8.5 76 79 A Q T <> S+ 0 0 33 -3,-1.4 4,-2.7 -4,-0.4 -1,-0.3 0.417 85.9 93.3 -94.4 -3.3 10.7 71.7 9.5 77 80 A V H <> S+ 0 0 9 -3,-1.9 4,-3.0 -4,-0.3 5,-0.3 0.934 81.6 53.3 -60.9 -43.8 7.9 73.6 7.8 78 81 A P H > S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.951 114.0 44.0 -56.5 -41.9 8.1 71.6 4.5 79 82 A L H > S+ 0 0 58 -4,-0.3 4,-3.1 1,-0.2 5,-0.3 0.916 112.5 52.0 -66.2 -45.4 7.7 68.4 6.6 80 83 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.945 112.6 44.7 -57.4 -46.9 5.0 69.9 8.7 81 84 A K H X S+ 0 0 114 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.919 113.4 50.5 -69.2 -35.1 3.0 70.9 5.7 82 85 A E H X S+ 0 0 109 -4,-2.5 4,-1.6 -5,-0.3 6,-0.2 0.957 112.4 46.5 -65.6 -46.4 3.5 67.6 3.9 83 86 A K H <>S+ 0 0 46 -4,-3.1 5,-2.6 2,-0.2 3,-0.4 0.924 113.2 47.4 -62.7 -45.7 2.4 65.6 6.9 84 87 A L H ><5S+ 0 0 3 -4,-2.4 -81,-2.1 -5,-0.3 3,-2.1 0.942 110.4 53.0 -61.2 -41.6 -0.7 67.7 7.7 85 88 A S H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 105.1 56.0 -68.2 -22.8 -1.7 67.6 4.0 86 89 A Q T 3<5S- 0 0 93 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.308 126.3 -99.6 -86.7 5.2 -1.4 63.8 4.1 87 90 A G T < 5S+ 0 0 21 -3,-2.1 2,-0.6 1,-0.3 -54,-0.4 0.564 77.3 139.8 91.2 10.6 -3.9 63.6 7.0 88 91 A V < - 0 0 2 -5,-2.6 -85,-0.3 -6,-0.2 2,-0.3 -0.798 45.5-141.5 -93.5 126.2 -1.3 63.2 9.8 89 92 A T E - c 0 34A 3 -56,-2.8 -54,-2.5 -2,-0.6 2,-0.5 -0.636 16.5-148.4 -81.2 136.4 -2.0 65.1 13.0 90 93 A L E -ac 5 35A 2 -86,-2.5 -84,-3.4 -2,-0.3 2,-0.5 -0.937 8.2-161.0-113.9 129.8 1.2 66.5 14.5 91 94 A V E -ac 6 36A 0 -56,-2.7 -54,-3.0 -2,-0.5 2,-0.5 -0.953 16.3-161.2-108.9 120.3 1.6 66.9 18.2 92 95 A V E -ac 7 37A 0 -86,-3.0 -84,-3.0 -2,-0.5 2,-1.0 -0.924 16.0-148.2-118.2 118.4 4.4 69.4 19.0 93 96 A D E S-ac 8 38A 19 -56,-2.4 -54,-2.4 -2,-0.5 -84,-0.1 -0.777 80.2 -13.9 -86.4 97.4 6.2 69.8 22.3 94 97 A R S S+ 0 0 53 -86,-2.4 2,-0.2 -2,-1.0 -85,-0.1 0.471 72.7 174.9 78.5 145.4 7.0 73.5 22.3 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.5 -88,-0.1 3,-0.5 -0.585 56.3 -38.7-150.1-147.0 6.7 75.9 19.4 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.740 124.6 66.6 -61.9 -26.1 7.0 79.6 18.6 97 100 A F H 3> S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.937 102.8 45.7 -66.2 -42.5 5.3 80.6 21.9 98 101 A S H <> S+ 0 0 10 -3,-0.5 4,-2.6 1,-0.2 5,-0.4 0.923 109.6 56.9 -63.1 -38.2 8.3 79.2 23.9 99 102 A G H X S+ 0 0 7 -4,-1.5 4,-1.6 1,-0.2 5,-0.3 0.928 113.7 38.5 -57.4 -46.3 10.6 81.0 21.4 100 103 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.920 116.0 51.0 -71.2 -42.1 9.0 84.4 22.2 101 104 A A H X S+ 0 0 0 -4,-2.9 4,-0.7 -5,-0.2 59,-0.2 0.876 112.1 45.4 -65.2 -41.5 8.5 83.8 25.9 102 105 A F H < S+ 0 0 20 -4,-2.6 3,-0.5 -5,-0.2 4,-0.3 0.925 120.0 37.3 -72.1 -48.2 12.1 82.8 26.6 103 106 A T H >< S+ 0 0 2 -4,-1.6 3,-1.9 -5,-0.4 -2,-0.2 0.901 113.8 58.7 -69.3 -32.1 13.9 85.5 24.7 104 107 A G H 3< S+ 0 0 11 -4,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.674 95.4 65.2 -65.8 -21.8 11.2 88.0 25.8 105 108 A A T 3< S+ 0 0 3 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.576 88.6 87.5 -73.5 -20.2 12.1 87.2 29.4 106 109 A K S X S- 0 0 21 -3,-1.9 3,-0.8 -4,-0.3 -3,-0.0 -0.490 94.9 -85.5 -78.1 161.4 15.6 88.7 28.7 107 110 A E T 3 S+ 0 0 69 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.327 105.7 9.1 -69.8 140.8 16.2 92.4 29.2 108 111 A N T 3 S+ 0 0 164 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.815 89.1 126.2 61.9 39.5 15.5 94.8 26.3 109 112 A F < - 0 0 21 -3,-0.8 -1,-0.2 -5,-0.3 2,-0.1 -0.960 48.4-149.4-124.6 107.1 13.6 92.3 24.1 110 113 A S > - 0 0 65 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.482 19.7-125.8 -74.5 150.8 10.2 93.5 23.0 111 114 A L H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 111.3 57.2 -60.9 -40.7 7.5 90.9 22.4 112 115 A D H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.957 107.7 44.8 -55.0 -53.8 7.0 92.4 18.9 113 116 A W H 4 S+ 0 0 91 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.917 113.2 52.7 -58.3 -40.9 10.7 91.9 17.9 114 117 A C H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.872 108.8 49.0 -63.1 -40.1 10.6 88.4 19.3 115 118 A K H >X S+ 0 0 50 -4,-2.4 3,-1.2 -3,-0.2 4,-0.6 0.822 91.1 80.4 -68.4 -34.5 7.5 87.3 17.4 116 119 A Q G >< S+ 0 0 90 -4,-1.5 3,-1.5 1,-0.3 -1,-0.2 0.826 84.8 55.0 -52.5 -41.7 8.6 88.5 13.9 117 120 A P G 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.870 111.6 47.1 -62.3 -29.8 10.9 85.7 12.8 118 121 A D G X4 S+ 0 0 0 -3,-1.2 3,-2.1 -4,-0.4 -2,-0.2 0.511 80.6 122.1 -90.9 -0.5 8.1 83.2 13.4 119 122 A V T << S+ 0 0 38 -3,-1.5 89,-0.2 -4,-0.6 90,-0.1 -0.386 76.5 26.2 -61.8 128.8 5.4 85.2 11.6 120 123 A G T 3 S+ 0 0 12 87,-2.9 -1,-0.3 1,-0.3 3,-0.1 0.314 85.7 137.0 101.9 -12.9 4.0 83.0 8.9 121 124 A L S < S- 0 0 0 -3,-2.1 86,-3.2 86,-0.3 -1,-0.3 -0.260 74.4 -72.7 -62.1 161.3 4.7 79.6 10.4 122 125 A P E -E 206 0B 2 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.260 57.9-124.2 -51.4 125.7 2.0 77.0 10.2 123 126 A K E -E 205 0B 49 82,-2.4 82,-0.5 -3,-0.1 -118,-0.2 -0.689 21.4-119.1 -80.2 124.4 -0.6 78.2 12.6 124 127 A P - 0 0 4 0, 0.0 47,-0.4 0, 0.0 -118,-0.2 -0.325 8.7-148.7 -59.2 144.2 -1.5 75.6 15.3 125 128 A D S S+ 0 0 33 -120,-2.5 2,-0.3 1,-0.3 -119,-0.2 0.690 88.3 19.0 -82.1 -19.6 -5.2 74.5 15.3 126 129 A L E -b 6 0A 2 -121,-1.4 -119,-2.5 2,-0.0 2,-0.5 -0.969 63.9-165.3-151.7 130.1 -5.0 74.1 19.1 127 130 A V E -bd 7 172A 0 44,-2.7 46,-2.7 -2,-0.3 2,-0.4 -0.964 12.3-161.4-119.5 110.7 -2.5 75.5 21.6 128 131 A L E -bd 8 173A 0 -121,-2.9 -119,-3.0 -2,-0.5 2,-0.6 -0.778 0.7-160.6 -90.6 130.7 -2.6 73.7 25.0 129 132 A F E -bd 9 174A 1 44,-2.7 46,-2.8 -2,-0.4 2,-1.0 -0.953 9.5-147.9-114.0 113.5 -1.1 75.6 27.9 130 133 A L E -bd 10 175A 0 -121,-2.9 -119,-1.6 -2,-0.6 2,-0.3 -0.680 17.7-159.3 -84.9 106.3 -0.3 73.4 30.8 131 134 A Q E + d 0 176A 80 44,-2.8 46,-2.0 -2,-1.0 47,-0.3 -0.656 17.9 164.7 -90.7 139.6 -0.7 75.5 33.9 132 135 A L - 0 0 17 -2,-0.3 2,-0.3 45,-0.2 -120,-0.1 -0.995 33.6-119.1-151.8 146.4 0.9 74.5 37.3 133 136 A Q >> - 0 0 144 -2,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.697 29.4-118.1 -89.5 142.2 1.7 76.2 40.6 134 137 A L H 3> S+ 0 0 138 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.855 114.7 54.0 -46.1 -43.6 5.3 76.6 41.7 135 138 A A H 3> S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.901 110.3 45.4 -60.2 -44.5 4.6 74.5 44.8 136 139 A D H <4 S+ 0 0 60 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.796 112.5 51.4 -70.1 -29.6 3.2 71.6 42.7 137 140 A A H >< S+ 0 0 8 -4,-2.0 3,-2.6 1,-0.2 -2,-0.2 0.874 99.3 64.0 -73.4 -38.7 6.0 71.8 40.2 138 141 A A H >< S+ 0 0 61 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.823 94.2 62.0 -54.4 -32.4 8.7 71.7 43.0 139 142 A K T 3< S+ 0 0 170 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.500 87.0 74.8 -72.9 -5.3 7.5 68.2 43.8 140 143 A R T < S- 0 0 97 -3,-2.6 -1,-0.3 1,-0.4 2,-0.2 0.212 116.4 -89.3 -93.5 16.9 8.4 67.0 40.3 141 144 A G < - 0 0 46 -3,-1.1 -1,-0.4 -4,-0.0 2,-0.1 -0.658 63.1 -42.8 108.7-165.9 12.1 67.0 41.3 142 145 A A - 0 0 87 -2,-0.2 2,-0.0 1,-0.2 -3,-0.0 -0.341 65.9 -79.2 -94.7 175.2 14.7 69.8 41.0 143 146 A F - 0 0 79 1,-0.1 -1,-0.2 -2,-0.1 6,-0.1 -0.339 50.2-110.4 -68.6 155.4 15.5 72.4 38.4 144 147 A G - 0 0 34 1,-0.1 -1,-0.1 3,-0.1 4,-0.0 -0.118 15.0-123.7 -77.3-178.1 17.6 71.3 35.4 145 148 A H S S+ 0 0 84 2,-0.0 2,-0.1 3,-0.0 3,-0.1 0.305 77.8 105.3-108.8 4.8 21.2 72.4 34.7 146 149 A E S > S- 0 0 53 1,-0.2 3,-1.7 2,-0.0 -91,-0.2 -0.361 86.1 -77.1 -81.6 165.6 20.3 73.9 31.3 147 150 A R T 3 S+ 0 0 48 -93,-2.7 -1,-0.2 1,-0.2 -3,-0.1 -0.223 116.3 25.2 -57.2 151.4 20.1 77.6 30.6 148 151 A Y T 3 S+ 0 0 29 1,-0.1 2,-1.6 -3,-0.1 -1,-0.2 0.389 82.2 127.5 76.5 -4.0 16.9 79.3 31.8 149 152 A E < + 0 0 53 -3,-1.7 2,-0.3 4,-0.1 -1,-0.1 -0.502 42.7 98.3 -87.9 69.5 16.3 76.7 34.5 150 153 A N S > S- 0 0 77 -2,-1.6 4,-2.8 1,-0.1 5,-0.3 -0.989 77.9-115.5-150.7 147.2 15.9 79.1 37.4 151 154 A G H > S+ 0 0 33 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.844 109.4 50.5 -50.6 -49.0 12.9 80.5 39.2 152 155 A A H > S+ 0 0 74 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.899 114.6 44.4 -64.3 -38.2 13.3 84.2 38.4 153 156 A F H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 110.9 53.4 -73.4 -38.7 13.8 83.6 34.7 154 157 A Q H X S+ 0 0 29 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.876 106.6 54.2 -61.1 -36.0 10.9 81.1 34.5 155 158 A E H X S+ 0 0 78 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.925 107.9 48.3 -64.7 -39.7 8.6 83.7 36.1 156 159 A R H X S+ 0 0 127 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.914 111.9 50.2 -66.5 -37.7 9.6 86.3 33.5 157 160 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 107.1 55.0 -65.6 -42.1 8.9 83.7 30.8 158 161 A L H X S+ 0 0 54 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.919 105.1 52.4 -55.7 -42.8 5.5 82.9 32.3 159 162 A R H X S+ 0 0 164 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.893 108.8 50.9 -61.4 -35.5 4.5 86.6 32.1 160 163 A C H X S+ 0 0 15 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.904 106.4 54.1 -67.9 -41.7 5.4 86.6 28.5 161 164 A F H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.900 106.6 52.9 -56.7 -42.9 3.3 83.5 27.9 162 165 A H H < S+ 0 0 81 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.871 106.7 51.9 -63.4 -33.5 0.4 85.4 29.5 163 166 A Q H >< S+ 0 0 92 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.903 109.0 51.1 -66.0 -39.2 0.8 88.3 27.1 164 167 A L H >< S+ 0 0 5 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.818 101.1 62.0 -67.0 -29.1 0.8 85.8 24.2 165 168 A M T 3< S+ 0 0 32 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.577 86.6 72.5 -74.2 -12.6 -2.5 84.2 25.4 166 169 A K T < S+ 0 0 138 -3,-1.3 2,-0.9 -4,-0.4 -1,-0.3 0.564 73.1 105.4 -73.3 -10.2 -4.3 87.5 25.0 167 170 A D X - 0 0 35 -3,-1.4 3,-1.3 -4,-0.2 5,-0.2 -0.606 53.0-171.4 -75.2 103.5 -4.0 86.8 21.2 168 171 A T T 3 S+ 0 0 136 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.0 0.530 73.8 80.6 -76.1 -4.2 -7.5 85.8 20.2 169 172 A T T 3 S+ 0 0 78 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.697 89.1 73.3 -70.0 -16.2 -6.4 84.8 16.7 170 173 A L S < S- 0 0 13 -3,-1.3 2,-1.7 -5,-0.1 -45,-0.1 -0.792 84.2-126.3-109.3 147.7 -5.3 81.5 18.4 171 174 A N + 0 0 66 -47,-0.4 -44,-2.7 -2,-0.3 2,-0.3 -0.597 41.1 178.1 -86.8 72.5 -7.2 78.6 19.8 172 175 A W E -d 127 0A 31 -2,-1.7 2,-0.4 -46,-0.2 -44,-0.2 -0.622 9.4-174.0 -75.9 134.8 -5.7 78.6 23.3 173 176 A K E -d 128 0A 86 -46,-2.7 -44,-2.7 -2,-0.3 2,-0.3 -0.983 17.1-139.5-131.0 126.3 -6.9 76.0 25.8 174 177 A M E -d 129 0A 80 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.631 17.0-162.0 -82.6 139.1 -5.7 76.1 29.5 175 178 A V E -d 130 0A 3 -46,-2.8 -44,-2.8 -2,-0.3 2,-1.3 -0.972 21.5-129.3-122.7 131.7 -5.0 72.7 31.0 176 179 A D E > -d 131 0A 76 -2,-0.4 3,-0.9 1,-0.2 -44,-0.1 -0.670 28.6-179.6 -80.5 95.0 -4.8 72.1 34.8 177 180 A A T 3 + 0 0 1 -46,-2.0 -1,-0.2 -2,-1.3 -45,-0.2 0.394 63.0 84.9 -79.9 6.5 -1.4 70.3 34.8 178 181 A S T 3 S+ 0 0 50 -47,-0.3 -1,-0.2 6,-0.0 3,-0.1 0.636 74.4 86.4 -81.7 -15.9 -1.6 69.8 38.6 179 182 A K S < S- 0 0 86 -3,-0.9 0, 0.0 1,-0.2 0, 0.0 -0.105 95.4 -66.2 -73.2-177.9 -3.6 66.6 38.3 180 183 A S > - 0 0 72 1,-0.1 4,-2.6 4,-0.0 5,-0.3 -0.157 48.6-106.5 -65.4 163.9 -2.3 63.1 37.8 181 184 A I H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.912 122.1 46.5 -58.5 -45.0 -0.5 62.2 34.6 182 185 A E H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 112.3 48.5 -66.2 -39.8 -3.5 60.2 33.5 183 186 A A H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.908 113.3 47.1 -67.9 -41.0 -6.1 62.8 34.4 184 187 A V H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.932 111.1 54.1 -63.4 -41.6 -4.2 65.6 32.6 185 188 A H H X S+ 0 0 17 -4,-2.4 4,-3.1 -5,-0.3 -2,-0.2 0.917 105.9 51.1 -59.4 -47.2 -3.8 63.2 29.7 186 189 A E H X S+ 0 0 84 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.944 109.7 50.2 -60.5 -38.8 -7.6 62.6 29.5 187 190 A D H X S+ 0 0 61 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.944 115.1 43.4 -62.1 -44.6 -8.3 66.4 29.4 188 191 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 111.6 54.5 -67.4 -38.3 -5.7 66.9 26.7 189 192 A R H X S+ 0 0 59 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.904 108.8 46.7 -63.2 -47.3 -6.9 63.8 24.7 190 193 A V H X S+ 0 0 76 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.926 113.1 48.7 -63.3 -42.6 -10.6 65.0 24.6 191 194 A L H X S+ 0 0 52 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.901 112.5 50.6 -59.5 -39.4 -9.6 68.5 23.5 192 195 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.921 105.9 53.2 -67.8 -43.2 -7.3 67.0 20.9 193 196 A E H X S+ 0 0 58 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.902 110.4 49.1 -58.6 -40.3 -10.0 64.7 19.4 194 197 A D H X S+ 0 0 110 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.939 111.1 49.3 -66.5 -42.2 -12.3 67.7 19.0 195 198 A A H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.881 107.8 54.3 -61.8 -41.0 -9.6 69.8 17.3 196 199 A I H X S+ 0 0 15 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.901 107.1 50.1 -60.9 -43.0 -8.8 67.0 14.9 197 200 A A H >< S+ 0 0 51 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.983 115.8 43.6 -59.6 -49.4 -12.4 66.7 13.7 198 201 A T H >< S+ 0 0 65 -4,-2.1 3,-1.9 1,-0.2 4,-0.5 0.784 99.9 67.8 -70.5 -28.2 -12.6 70.5 13.2 199 202 A A H >< S+ 0 0 3 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.786 88.8 66.8 -63.2 -27.1 -9.2 71.0 11.5 200 203 A T T << S+ 0 0 40 -3,-0.9 -1,-0.3 -4,-0.9 -198,-0.2 0.587 98.4 58.2 -68.1 -10.3 -10.4 69.0 8.4 201 204 A E T < S+ 0 0 162 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.680 105.0 38.6 -96.5 -24.6 -12.8 71.9 7.9 202 205 A K S < S- 0 0 55 -3,-0.7 -1,-0.1 -4,-0.5 3,-0.1 -0.956 88.3-101.3-128.2 150.1 -10.6 75.0 7.5 203 206 A P - 0 0 116 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.303 50.1 -85.0 -62.4 154.7 -7.3 75.4 5.8 204 207 A L - 0 0 50 1,-0.1 2,-0.1 -123,-0.1 -200,-0.0 -0.417 54.6-139.4 -59.5 130.8 -4.0 75.5 7.8 205 208 A G E -E 123 0B 28 -82,-0.5 -82,-2.4 -3,-0.1 2,-0.4 -0.165 6.6-113.1 -87.6 178.5 -3.5 79.1 8.9 206 209 A E E > -E 122 0B 99 3,-0.3 3,-1.1 -84,-0.2 2,-0.2 -0.972 34.9-114.1-116.9 133.0 -0.4 81.3 9.2 207 210 A L T 3 S- 0 0 0 -86,-3.2 -87,-2.9 -2,-0.4 -86,-0.3 -0.438 87.6 -5.8 -73.0 133.8 0.8 82.3 12.6 208 211 A W T 3 0 0 32 -2,-0.2 -1,-0.2 -89,-0.2 -89,-0.1 0.763 360.0 360.0 60.3 28.5 0.7 86.0 13.6 209 212 A K < 0 0 176 -3,-1.1 -3,-0.3 -90,-0.1 -1,-0.2 -0.927 360.0 360.0-153.5 360.0 -0.5 87.2 10.2