==== 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 1NN5 . COMPND 2 MOLECULE: SIMILAR TO DEOXYTHYMIDYLATE KINASE (THYMIDYLATE K . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,D.SEGURA-PENA,C.MEIER,T.VEIT,M.MONNERJAHN,M.KONR . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 1 0 0 2 1 0 0 1 2 0 0 0 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 . 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 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 4 A R 0 0 254 0, 0.0 196,-0.1 0, 0.0 195,-0.0 0.000 360.0 360.0 360.0 103.0 -8.7 65.6 5.0 2 5 A R - 0 0 43 194,-0.3 83,-0.2 1,-0.1 82,-0.1 -0.294 360.0-114.9 -70.6 159.9 -5.8 67.4 6.7 3 6 A G - 0 0 2 81,-2.2 2,-0.3 85,-0.3 86,-0.2 -0.300 32.4-107.9 -79.3 166.6 -4.3 66.6 10.0 4 7 A A - 0 0 0 83,-0.2 86,-2.6 -2,-0.1 2,-0.7 -0.702 16.5-135.0 -95.0 151.0 -4.4 69.1 12.9 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.6 118,-0.2 121,-1.3 -0.935 29.6-176.9-107.2 107.1 -1.3 71.0 14.2 6 9 A I E -ab 91 126A 0 84,-3.3 86,-2.9 -2,-0.7 2,-0.4 -0.955 5.1-165.9-113.2 123.2 -1.5 70.7 18.0 7 10 A V E -ab 92 127A 0 119,-2.6 121,-3.1 -2,-0.5 2,-0.5 -0.930 8.5-154.1-111.2 141.4 1.1 72.5 20.2 8 11 A L E +ab 93 128A 0 84,-3.0 86,-2.4 -2,-0.4 2,-0.3 -0.948 22.6 167.8-111.4 127.3 1.8 71.9 23.9 9 12 A E E + b 0 129A 0 119,-2.9 121,-2.8 -2,-0.5 2,-0.2 -0.799 10.0 125.8-128.8 167.8 3.3 74.9 25.8 10 13 A G E - b 0 130A 0 -2,-0.3 121,-0.1 119,-0.2 3,-0.1 -0.812 59.0 -66.0 156.1 165.1 3.9 75.6 29.5 11 14 A V S > S- 0 0 8 119,-0.6 3,-1.7 -2,-0.2 5,-0.3 -0.245 78.3 -61.9 -66.9 170.1 6.6 76.5 32.0 12 15 A D T 3 S+ 0 0 23 1,-0.2 -1,-0.2 2,-0.1 138,-0.0 -0.232 123.9 13.1 -57.2 139.6 9.5 74.1 32.6 13 16 A R T 3 S+ 0 0 113 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.541 82.5 127.2 70.0 13.4 8.3 70.8 34.2 14 17 A A S < S- 0 0 2 -3,-1.7 -2,-0.1 116,-0.1 -1,-0.1 0.687 87.9 -98.2 -69.5 -19.0 4.6 71.4 33.4 15 18 A G S > S+ 0 0 17 -4,-0.2 4,-3.0 -5,-0.1 5,-0.3 0.563 76.3 141.8 109.5 16.0 4.5 68.0 31.7 16 19 A K H > S+ 0 0 12 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.913 75.4 41.1 -56.9 -50.3 4.8 69.0 28.0 17 20 A S H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 116.0 48.5 -70.6 -43.4 7.0 66.1 27.0 18 21 A T H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.933 116.3 43.9 -57.1 -50.4 5.1 63.5 28.9 19 22 A Q H X S+ 0 0 6 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.844 110.8 54.1 -68.9 -29.6 1.8 64.7 27.6 20 23 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.943 111.9 45.2 -67.3 -43.8 3.0 65.1 24.1 21 24 A R H X S+ 0 0 135 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.941 115.2 46.7 -62.9 -48.5 4.2 61.4 24.0 22 25 A K H X S+ 0 0 39 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.844 110.0 54.5 -65.1 -32.3 1.0 60.1 25.7 23 26 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.936 108.6 46.6 -68.2 -45.6 -1.2 62.1 23.3 24 27 A V H X S+ 0 0 20 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.933 113.3 50.6 -62.5 -41.9 0.4 60.7 20.1 25 28 A E H X S+ 0 0 132 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.935 113.2 44.9 -59.8 -45.6 0.2 57.2 21.6 26 29 A A H X S+ 0 0 20 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.883 112.3 50.8 -67.5 -41.1 -3.5 57.6 22.4 27 30 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 3,-0.7 0.936 111.8 47.1 -63.4 -45.7 -4.4 59.2 19.1 28 31 A C H ><5S+ 0 0 60 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.895 109.4 54.0 -64.6 -35.5 -2.7 56.4 17.1 29 32 A A H 3<5S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.713 105.5 55.5 -68.5 -20.9 -4.4 53.7 19.3 30 33 A A T <<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.140 128.4 -97.6 -96.2 18.0 -7.7 55.4 18.4 31 34 A G T < 5S+ 0 0 70 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.521 81.8 129.6 83.0 2.9 -7.0 55.0 14.7 32 35 A H < - 0 0 47 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.619 61.2-124.7 -83.7 158.8 -5.6 58.5 13.9 33 36 A R + 0 0 144 54,-0.4 56,-2.9 -2,-0.2 2,-0.3 -0.923 49.5 157.5 -95.6 112.5 -2.4 59.0 12.1 34 37 A A E -c 89 0A 7 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.995 20.7-170.8-141.4 144.4 -0.5 61.2 14.5 35 38 A E E -c 90 0A 74 54,-2.5 56,-2.7 -2,-0.3 2,-0.4 -0.962 20.1-119.6-135.3 155.6 3.2 62.0 14.9 36 39 A L E +c 91 0A 53 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.770 27.8 172.1 -97.5 136.9 5.4 63.7 17.5 37 40 A L E -c 92 0A 18 54,-2.9 56,-2.5 -2,-0.4 2,-0.3 -0.899 8.4-167.4-130.3 162.1 7.6 66.7 16.9 38 41 A R E -c 93 0A 83 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.985 18.6-105.7-147.6 156.1 9.5 68.9 19.4 39 42 A F S S+ 0 0 9 54,-2.5 2,-0.2 -2,-0.3 30,-0.0 -0.999 99.3 40.0-130.9 141.8 11.4 72.2 19.4 40 43 A P S S- 0 0 20 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.506 80.6-155.3 -66.4 150.8 14.2 72.7 19.5 41 44 A E > - 0 0 27 -2,-0.2 3,-0.9 1,-0.1 6,-0.2 -0.848 10.4-170.9 -93.7 102.2 14.8 69.9 17.1 42 45 A R T 3 + 0 0 80 -2,-1.0 9,-0.1 1,-0.2 -1,-0.1 0.480 65.4 82.5 -80.0 -2.1 18.4 69.1 18.0 43 46 A S T 3 S+ 0 0 80 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.696 79.5 75.9 -74.4 -22.9 19.1 66.7 15.2 44 47 A T S <> S- 0 0 27 -3,-0.9 4,-2.8 1,-0.1 5,-0.2 -0.360 96.4-103.2 -87.7 171.0 19.9 69.3 12.6 45 48 A E H > S+ 0 0 170 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.932 127.1 44.1 -55.7 -47.8 23.0 71.5 12.2 46 49 A I H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.8 55.0 -62.3 -43.7 21.1 74.4 13.7 47 50 A G H > S+ 0 0 0 -6,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.862 104.1 55.0 -57.6 -38.8 19.6 72.1 16.4 48 51 A K H X S+ 0 0 130 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.898 107.0 49.4 -63.9 -39.9 23.1 71.0 17.5 49 52 A L H X S+ 0 0 95 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.897 112.6 48.8 -62.4 -38.6 24.2 74.7 18.0 50 53 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.874 109.6 51.4 -69.4 -38.3 21.1 75.2 20.1 51 54 A S H X S+ 0 0 18 -4,-2.3 4,-1.8 2,-0.2 6,-0.2 0.925 109.9 49.4 -66.1 -41.7 21.7 72.1 22.1 52 55 A S H <>S+ 0 0 37 -4,-2.4 5,-2.5 1,-0.2 6,-1.0 0.936 111.3 50.5 -63.9 -40.0 25.2 73.2 22.9 53 56 A Y H ><5S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.921 110.0 48.1 -60.8 -49.1 24.0 76.7 23.9 54 57 A L H 3<5S+ 0 0 12 -4,-2.4 89,-2.7 1,-0.3 -1,-0.2 0.822 109.5 53.9 -64.3 -30.3 21.3 75.3 26.3 55 58 A Q T 3<5S- 0 0 73 -4,-1.8 -1,-0.3 87,-0.2 -2,-0.2 0.475 113.2-121.6 -79.7 -5.1 23.9 73.0 27.9 56 59 A K T < 5S+ 0 0 134 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.754 81.4 122.2 69.0 23.8 26.1 76.0 28.5 57 60 A K S - 0 0 110 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.284 38.5-118.4 -53.3 138.9 24.7 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 0.809 110.3 44.0 -59.8 -39.8 21.0 86.6 22.5 63 66 A H H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 113.9 51.7 -69.5 -46.6 19.6 87.9 19.2 64 67 A S H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.938 111.0 47.2 -54.8 -46.9 21.6 85.4 17.2 65 68 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.920 108.4 55.4 -66.6 -37.1 20.3 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 0.938 109.6 46.9 -56.1 -43.9 16.7 83.7 19.1 67 70 A L H X S+ 0 0 79 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.881 108.8 54.7 -70.0 -34.3 17.0 83.6 15.3 68 71 A L H X S+ 0 0 36 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.920 106.0 52.4 -62.5 -42.8 18.5 80.1 15.4 69 72 A F H X S+ 0 0 22 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.905 113.8 43.4 -60.6 -40.3 15.6 78.9 17.4 70 73 A S H >X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 3,-1.0 0.931 111.1 53.7 -72.2 -41.5 13.2 80.3 14.8 71 74 A A H 3X S+ 0 0 36 -4,-3.2 4,-2.2 1,-0.3 -2,-0.2 0.863 102.7 59.5 -59.4 -35.4 15.3 79.0 11.9 72 75 A N H 3< S+ 0 0 0 -4,-2.4 4,-0.4 2,-0.2 -1,-0.3 0.776 107.2 46.5 -63.9 -29.7 15.1 75.6 13.5 73 76 A R H X< S+ 0 0 5 -3,-1.0 3,-1.5 -4,-0.8 4,-0.3 0.943 110.4 51.7 -75.2 -46.7 11.3 75.8 13.2 74 77 A W H >< S+ 0 0 94 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.825 100.8 61.8 -59.3 -35.9 11.3 77.0 9.5 75 78 A E T 3< S+ 0 0 72 -4,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.785 106.3 47.9 -63.6 -21.0 13.6 74.1 8.5 76 79 A Q T <> S+ 0 0 33 -3,-1.5 4,-2.7 -4,-0.4 -1,-0.3 0.444 86.4 93.2 -94.4 -0.4 10.8 71.8 9.5 77 80 A V H <> S+ 0 0 9 -3,-1.7 4,-3.0 -4,-0.3 5,-0.3 0.915 81.7 51.8 -63.6 -43.3 8.0 73.7 7.7 78 81 A P H > S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.944 114.3 45.5 -60.1 -40.3 8.1 71.7 4.4 79 82 A L H > S+ 0 0 58 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.916 112.6 50.5 -65.4 -45.1 7.8 68.5 6.5 80 83 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.938 113.0 45.2 -59.3 -47.6 5.0 69.9 8.7 81 84 A K H X S+ 0 0 115 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.911 113.3 51.0 -66.6 -37.8 3.0 71.0 5.7 82 85 A E H X S+ 0 0 107 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.959 112.6 45.2 -63.3 -47.9 3.6 67.7 3.9 83 86 A K H <>S+ 0 0 44 -4,-3.0 5,-2.6 1,-0.2 3,-0.4 0.919 113.5 48.3 -62.6 -47.6 2.4 65.7 6.9 84 87 A L H ><5S+ 0 0 2 -4,-2.4 -81,-2.2 -5,-0.2 3,-1.8 0.931 110.0 53.7 -58.2 -39.5 -0.6 67.8 7.6 85 88 A S H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.3 54.0 -66.0 -29.3 -1.6 67.6 3.9 86 89 A Q T 3<5S- 0 0 93 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.353 126.1 -99.9 -85.0 1.3 -1.4 63.8 4.0 87 90 A G T < 5S+ 0 0 22 -3,-1.8 2,-0.5 1,-0.3 -54,-0.4 0.562 76.4 140.9 92.8 10.5 -3.8 63.7 7.0 88 91 A V < - 0 0 0 -5,-2.6 -85,-0.3 -6,-0.2 2,-0.3 -0.775 45.3-140.7 -89.9 125.8 -1.2 63.2 9.7 89 92 A T E - c 0 34A 2 -56,-2.9 -54,-2.5 -2,-0.5 2,-0.5 -0.627 16.5-147.1 -82.5 134.0 -1.9 65.2 12.9 90 93 A L E -ac 5 35A 2 -86,-2.6 -84,-3.3 -2,-0.3 2,-0.6 -0.946 8.8-161.5-111.2 126.4 1.2 66.6 14.5 91 94 A V E -ac 6 36A 0 -56,-2.7 -54,-2.9 -2,-0.5 2,-0.5 -0.950 16.3-161.8-106.6 118.4 1.7 67.0 18.2 92 95 A V E -ac 7 37A 0 -86,-2.9 -84,-3.0 -2,-0.6 2,-1.0 -0.924 16.1-147.9-117.8 119.9 4.4 69.5 18.9 93 96 A D E S-ac 8 38A 20 -56,-2.5 -54,-2.5 -2,-0.5 -84,-0.1 -0.767 79.9 -14.6 -87.8 96.6 6.3 69.8 22.2 94 97 A R S S+ 0 0 46 -86,-2.4 2,-0.2 -2,-1.0 -85,-0.1 0.458 73.2 174.8 78.1 144.4 7.1 73.5 22.3 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.4 -88,-0.1 3,-0.5 -0.594 55.8 -37.9-149.3-145.7 6.8 75.9 19.4 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.767 124.7 66.1 -62.7 -27.0 7.1 79.6 18.6 97 100 A F H 3> S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.937 102.8 45.9 -65.1 -42.6 5.4 80.6 21.8 98 101 A S H <> S+ 0 0 11 -3,-0.5 4,-2.5 1,-0.2 5,-0.4 0.897 109.7 56.9 -62.7 -39.8 8.4 79.2 23.9 99 102 A G H X S+ 0 0 8 -4,-1.4 4,-1.6 1,-0.2 5,-0.3 0.926 113.7 38.6 -55.5 -49.9 10.7 81.0 21.4 100 103 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.922 116.5 50.0 -69.6 -43.9 9.1 84.4 22.2 101 104 A A H X S+ 0 0 0 -4,-3.1 4,-0.7 -5,-0.2 55,-0.2 0.868 112.4 45.9 -64.5 -41.1 8.6 83.8 25.9 102 105 A F H >< S+ 0 0 19 -4,-2.5 3,-0.6 -5,-0.2 4,-0.2 0.947 120.4 36.9 -71.1 -49.4 12.1 82.7 26.6 103 106 A T H >< S+ 0 0 2 -4,-1.6 3,-2.1 -5,-0.4 -2,-0.2 0.909 113.7 59.0 -68.2 -34.8 13.9 85.5 24.7 104 107 A G H 3< S+ 0 0 11 -4,-2.5 5,-0.3 1,-0.3 -1,-0.2 0.695 95.8 64.3 -64.4 -21.8 11.2 88.0 25.7 105 108 A A T << S+ 0 0 2 -4,-0.7 -1,-0.3 -3,-0.6 2,-0.2 0.526 88.1 87.7 -76.7 -15.8 12.2 87.2 29.3 106 109 A K S X S- 0 0 22 -3,-2.1 3,-0.9 -4,-0.2 2,-0.0 -0.546 94.8 -88.3 -79.1 159.0 15.6 88.7 28.7 107 110 A E T 3 S+ 0 0 70 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.346 105.3 12.9 -68.5 143.9 16.3 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 0.789 89.9 123.6 63.6 33.9 15.6 94.8 26.2 109 112 A F < - 0 0 20 -3,-0.9 -1,-0.2 -5,-0.3 2,-0.1 -0.940 49.6-150.4-122.3 106.3 13.8 92.3 24.0 110 113 A S > - 0 0 65 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.439 20.7-125.1 -74.3 151.8 10.3 93.5 23.0 111 114 A L H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.896 111.7 56.7 -60.0 -38.1 7.6 90.9 22.4 112 115 A D H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.947 107.6 45.0 -57.7 -53.5 7.1 92.4 18.9 113 116 A W H 4 S+ 0 0 93 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.920 113.3 52.5 -58.7 -40.5 10.8 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 0.845 108.4 49.9 -65.4 -36.2 10.7 88.4 19.3 115 118 A K H >X S+ 0 0 50 -4,-2.2 3,-1.1 -3,-0.2 4,-0.6 0.807 91.3 79.4 -69.2 -35.0 7.6 87.4 17.3 116 119 A Q G >< S+ 0 0 89 -4,-1.5 3,-1.6 -3,-0.3 -1,-0.2 0.823 84.5 55.6 -51.8 -46.1 8.7 88.5 13.9 117 120 A P G 34 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.858 112.3 46.1 -58.0 -31.5 11.0 85.7 12.8 118 121 A D G X4 S+ 0 0 0 -3,-1.1 3,-2.2 -4,-0.4 -2,-0.2 0.498 80.8 121.9 -90.8 -2.6 8.2 83.2 13.4 119 122 A V T << S+ 0 0 37 -3,-1.6 85,-0.2 -4,-0.6 86,-0.1 -0.392 76.8 26.3 -60.0 128.9 5.5 85.3 11.6 120 123 A G T 3 S+ 0 0 12 83,-2.8 -1,-0.3 1,-0.3 3,-0.1 0.300 85.6 135.0 101.4 -15.0 4.1 83.1 8.8 121 124 A L S < S- 0 0 0 -3,-2.2 82,-3.4 82,-0.2 -1,-0.3 -0.261 75.6 -71.2 -61.1 162.7 4.9 79.7 10.3 122 125 A P B -E 202 0B 2 0, 0.0 80,-0.2 0, 0.0 -1,-0.2 -0.274 57.8-124.7 -51.5 128.2 2.1 77.0 10.2 123 126 A K - 0 0 51 78,-2.3 78,-0.5 -3,-0.1 -118,-0.2 -0.700 21.8-118.3 -83.2 124.1 -0.5 78.2 12.6 124 127 A P - 0 0 4 0, 0.0 43,-0.4 0, 0.0 -118,-0.2 -0.306 8.8-148.7 -58.3 144.1 -1.4 75.7 15.3 125 128 A D S S+ 0 0 21 -120,-2.6 2,-0.3 1,-0.3 -119,-0.2 0.656 89.0 19.3 -81.9 -19.9 -5.1 74.6 15.3 126 129 A L E -b 6 0A 2 -121,-1.3 -119,-2.6 2,-0.0 2,-0.5 -0.956 64.2-165.5-152.2 128.2 -4.9 74.1 19.1 127 130 A V E -bd 7 168A 0 40,-2.6 42,-2.6 -2,-0.3 2,-0.4 -0.968 12.8-160.9-119.0 109.9 -2.4 75.5 21.6 128 131 A L E -bd 8 169A 0 -121,-3.1 -119,-2.9 -2,-0.5 2,-0.6 -0.777 0.7-160.1 -90.0 129.8 -2.5 73.8 25.0 129 132 A F E -bd 9 170A 3 40,-2.6 42,-2.9 -2,-0.4 2,-1.0 -0.956 9.2-148.4-110.7 114.0 -1.0 75.7 27.8 130 133 A L E -bd 10 171A 0 -121,-2.8 -119,-0.6 -2,-0.6 2,-0.4 -0.684 17.6-156.3 -86.5 101.7 -0.2 73.4 30.8 131 134 A Q E + d 0 172A 80 40,-2.9 42,-2.0 -2,-1.0 43,-0.4 -0.678 25.2 153.5 -84.7 135.4 -0.6 75.5 33.9 132 135 A L - 0 0 14 -2,-0.4 -121,-0.1 41,-0.2 -118,-0.1 -0.964 51.0 -98.3-156.9 135.0 1.2 74.6 37.1 133 136 A Q > - 0 0 139 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 -0.311 33.5-124.7 -53.3 143.5 2.3 76.8 40.0 134 137 A L H > S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.894 112.6 57.9 -56.6 -37.5 5.9 77.7 39.5 135 138 A A H > S+ 0 0 75 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.867 106.5 45.1 -61.6 -39.8 6.4 76.3 43.0 136 139 A D H >> S+ 0 0 67 -3,-0.4 3,-2.2 1,-0.2 4,-1.1 0.938 105.5 60.5 -71.1 -41.2 5.0 72.9 42.1 137 140 A A H 3< S+ 0 0 8 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.849 102.4 55.2 -51.6 -32.8 7.0 72.7 38.9 138 141 A A H 3< S+ 0 0 83 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.729 97.9 62.3 -74.8 -20.1 10.0 73.0 41.1 139 142 A K H << 0 0 181 -3,-2.2 -1,-0.2 -4,-0.5 -2,-0.2 0.780 360.0 360.0 -74.2 -26.8 8.9 69.9 43.1 140 143 A R < 0 0 131 -4,-1.1 -126,-0.0 -3,-0.5 -4,-0.0 -0.576 360.0 360.0 -77.0 360.0 9.2 67.7 40.0 141 ! 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 0.0 142 149 A E > 0 0 90 0, 0.0 3,-1.5 0, 0.0 -87,-0.2 0.000 360.0 360.0 360.0-178.3 20.4 73.9 31.4 143 150 A R T 3 + 0 0 50 -89,-2.7 3,-0.0 1,-0.2 -89,-0.0 -0.274 360.0 25.1 -61.1 151.5 20.2 77.6 30.6 144 151 A Y T 3 S+ 0 0 24 1,-0.2 2,-1.5 -42,-0.0 -1,-0.2 0.431 82.3 129.0 75.7 -0.3 17.0 79.3 31.8 145 152 A E < + 0 0 75 -3,-1.5 2,-0.3 4,-0.1 -1,-0.2 -0.552 42.0 97.1 -91.3 70.6 16.4 76.8 34.6 146 153 A N S > S- 0 0 85 -2,-1.5 4,-2.3 1,-0.1 5,-0.2 -0.974 77.6-116.8-151.6 147.0 16.0 79.2 37.5 147 154 A G H > S+ 0 0 62 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.839 108.4 52.2 -54.9 -45.4 12.9 80.7 39.2 148 155 A A H > S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 113.3 45.1 -64.3 -39.6 13.4 84.3 38.4 149 156 A F H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.917 110.5 53.7 -71.0 -40.3 13.8 83.7 34.7 150 157 A Q H X S+ 0 0 25 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.865 105.8 54.1 -60.8 -37.3 10.9 81.2 34.6 151 158 A E H X S+ 0 0 93 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.917 108.7 48.4 -63.8 -39.9 8.6 83.9 36.2 152 159 A R H X S+ 0 0 127 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.920 111.8 49.3 -68.3 -37.9 9.5 86.4 33.5 153 160 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.877 108.2 54.5 -65.4 -40.9 8.9 83.8 30.7 154 161 A L H X S+ 0 0 29 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.925 105.5 52.6 -58.5 -42.2 5.6 83.0 32.3 155 162 A R H X S+ 0 0 119 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.896 109.1 50.6 -58.6 -38.9 4.6 86.7 32.1 156 163 A C H X S+ 0 0 14 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.916 106.6 53.8 -65.1 -43.2 5.5 86.6 28.4 157 164 A F H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.906 106.4 53.4 -55.0 -45.1 3.3 83.5 27.9 158 165 A H H < S+ 0 0 65 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.874 106.5 52.1 -62.5 -32.7 0.4 85.4 29.4 159 166 A Q H >< S+ 0 0 92 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.910 108.1 51.6 -66.5 -39.7 0.9 88.3 27.0 160 167 A L H >< S+ 0 0 8 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.791 100.8 63.6 -66.8 -25.5 0.8 85.8 24.1 161 168 A M T 3< S+ 0 0 35 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.601 85.3 72.2 -74.6 -12.8 -2.4 84.3 25.4 162 169 A K T < S+ 0 0 135 -3,-1.4 2,-1.1 -4,-0.4 -1,-0.3 0.596 72.3 106.5 -74.2 -11.9 -4.2 87.6 24.9 163 170 A D X - 0 0 35 -3,-1.3 3,-1.6 -4,-0.2 5,-0.2 -0.566 52.2-171.6 -74.9 101.9 -4.0 86.9 21.1 164 171 A T T 3 S+ 0 0 134 -2,-1.1 -1,-0.2 1,-0.3 -3,-0.0 0.573 75.2 78.2 -70.7 -9.5 -7.5 85.9 20.2 165 172 A T T 3 S+ 0 0 74 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.656 89.4 72.1 -73.7 -10.5 -6.4 84.8 16.7 166 173 A L S < S- 0 0 11 -3,-1.6 2,-1.6 -5,-0.1 -41,-0.1 -0.827 84.3-126.0-112.1 147.1 -5.1 81.6 18.4 167 174 A N + 0 0 65 -43,-0.4 -40,-2.6 -2,-0.3 2,-0.4 -0.605 39.8 179.0 -88.1 74.8 -7.1 78.7 19.8 168 175 A W E -d 127 0A 31 -2,-1.6 2,-0.4 -5,-0.2 -40,-0.2 -0.656 9.3-173.5 -77.7 136.5 -5.6 78.6 23.3 169 176 A K E -d 128 0A 91 -42,-2.6 -40,-2.6 -2,-0.4 2,-0.3 -0.984 17.1-139.3-129.8 123.5 -6.8 76.0 25.8 170 177 A M E -d 129 0A 77 -2,-0.4 2,-0.4 -42,-0.2 -40,-0.2 -0.596 16.6-162.4 -80.1 138.7 -5.7 76.1 29.4 171 178 A V E -d 130 0A 4 -42,-2.9 -40,-2.9 -2,-0.3 2,-1.3 -0.981 21.7-129.6-123.2 130.6 -4.9 72.7 31.0 172 179 A D E > -d 131 0A 76 -2,-0.4 3,-0.9 -42,-0.2 -40,-0.1 -0.673 29.1-179.0 -78.6 95.4 -4.7 72.2 34.8 173 180 A A T 3 + 0 0 2 -42,-2.0 -1,-0.2 -2,-1.3 -41,-0.2 0.439 63.6 83.3 -79.6 3.3 -1.4 70.4 34.8 174 181 A S T 3 S+ 0 0 66 -43,-0.4 -1,-0.2 6,-0.0 3,-0.1 0.628 74.7 89.8 -80.7 -11.8 -1.3 69.9 38.5 175 182 A K S < S- 0 0 84 -3,-0.9 0, 0.0 1,-0.2 0, 0.0 -0.084 95.2 -68.2 -74.4 178.3 -3.5 66.8 38.2 176 183 A S > - 0 0 72 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.232 48.3-106.1 -64.7 162.4 -2.1 63.3 37.8 177 184 A I H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.912 122.1 46.6 -54.9 -44.1 -0.4 62.3 34.6 178 185 A E H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 112.0 48.8 -68.6 -39.9 -3.4 60.3 33.5 179 186 A A H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 112.9 47.0 -66.9 -43.1 -6.0 62.9 34.4 180 187 A V H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 110.9 54.2 -63.0 -41.8 -4.1 65.6 32.6 181 188 A H H X S+ 0 0 16 -4,-2.2 4,-3.1 -5,-0.3 -2,-0.2 0.901 105.9 51.1 -57.4 -45.8 -3.8 63.3 29.6 182 189 A E H X S+ 0 0 83 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.954 110.1 50.1 -61.7 -40.0 -7.5 62.7 29.4 183 190 A D H X S+ 0 0 62 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.941 114.6 43.8 -59.5 -48.0 -8.2 66.4 29.4 184 191 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.900 111.5 54.3 -66.4 -38.3 -5.7 67.0 26.6 185 192 A R H X S+ 0 0 60 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.908 108.4 47.5 -64.5 -44.3 -6.9 64.0 24.6 186 193 A V H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.935 112.7 48.9 -66.0 -38.9 -10.5 65.1 24.6 187 194 A L H X S+ 0 0 49 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.894 112.1 50.7 -63.1 -38.3 -9.5 68.6 23.5 188 195 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.912 105.8 53.1 -67.1 -43.7 -7.3 67.1 20.8 189 196 A E H X S+ 0 0 51 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.911 109.9 50.0 -58.3 -40.3 -10.0 64.9 19.4 190 197 A D H X>S+ 0 0 98 -4,-2.0 4,-2.5 1,-0.2 5,-0.6 0.933 111.1 48.5 -65.3 -44.9 -12.3 67.9 19.0 191 198 A A H X>S+ 0 0 4 -4,-2.2 4,-0.9 1,-0.2 5,-0.9 0.868 108.7 53.0 -62.2 -41.4 -9.6 69.9 17.3 192 199 A I H <5S+ 0 0 19 -4,-2.3 4,-0.2 3,-0.2 -1,-0.2 0.904 117.3 38.7 -60.0 -42.0 -8.7 67.1 14.8 193 200 A A H <5S+ 0 0 52 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.989 132.5 18.8 -70.1 -61.8 -12.3 66.8 13.8 194 201 A T H ><5S+ 0 0 83 -4,-2.5 3,-1.4 -5,-0.2 -3,-0.2 0.848 117.2 56.7 -83.7 -46.7 -13.5 70.4 13.8 195 202 A A G >< -E 122 0B 101 3,-0.3 3,-1.1 -80,-0.2 2,-0.2 -0.968 35.0-112.8-117.3 132.0 -0.3 81.3 9.1 203 210 A L T 3 S- 0 0 0 -82,-3.4 -83,-2.8 -2,-0.4 -82,-0.2 -0.404 88.4 -6.8 -71.5 133.3 0.9 82.4 12.6 204 211 A W T 3 0 0 31 -2,-0.2 -1,-0.2 -85,-0.2 -85,-0.1 0.770 360.0 360.0 58.5 29.1 0.8 86.0 13.6 205 212 A K < 0 0 181 -3,-1.1 -3,-0.3 -86,-0.1 -1,-0.2 -0.960 360.0 360.0-152.4 360.0 -0.4 87.3 10.2