==== 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 01-JUN-99 1QHY . COMPND 2 MOLECULE: CHLORAMPHENICOL PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR T.IZARD . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0.6 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 0 1 0 1 0 2 1 0 0 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 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 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 1 A M 0 0 169 0, 0.0 176,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -72.8 8.0 30.5 57.2 2 2 A T - 0 0 39 1,-0.1 2,-0.4 174,-0.1 111,-0.2 -0.236 360.0-118.1 -51.5 129.2 5.3 31.4 54.6 3 3 A T + 0 0 5 174,-2.8 111,-0.2 1,-0.2 -1,-0.1 -0.592 35.7 175.6 -74.3 126.6 6.8 33.7 52.0 4 4 A R + 0 0 87 109,-2.4 85,-1.8 -2,-0.4 2,-0.4 0.800 63.9 22.7 -99.6 -38.6 5.0 37.0 52.1 5 5 A M E -ab 89 114A 0 108,-1.8 110,-3.2 83,-0.2 2,-0.5 -0.986 55.5-159.5-135.1 142.8 7.0 39.0 49.5 6 6 A I E -ab 90 115A 0 83,-2.4 85,-3.2 -2,-0.4 2,-0.6 -0.989 15.5-166.7-118.5 120.8 9.2 38.2 46.6 7 7 A I E -ab 91 116A 2 108,-2.4 110,-2.8 -2,-0.5 2,-0.3 -0.926 1.5-166.6-116.1 111.7 11.5 41.0 45.6 8 8 A L E -ab 92 117A 0 83,-3.5 85,-2.5 -2,-0.6 2,-0.4 -0.716 4.1-173.1 -95.5 144.1 13.3 40.8 42.3 9 9 A N E +ab 93 118A 1 108,-1.7 110,-2.9 -2,-0.3 2,-0.3 -1.000 22.2 123.2-137.0 138.0 16.2 43.0 41.3 10 10 A G - 0 0 0 83,-1.3 110,-0.1 -2,-0.4 3,-0.1 -0.915 54.5 -81.5 177.5 158.6 18.0 43.3 38.0 11 11 A G > - 0 0 2 108,-0.4 3,-1.8 -2,-0.3 5,-0.3 -0.166 64.2 -71.3 -69.5 165.8 19.0 45.7 35.3 12 12 A S T 3 S+ 0 0 11 1,-0.3 -1,-0.2 128,-0.2 118,-0.1 -0.281 120.0 14.2 -58.2 140.1 16.7 46.9 32.5 13 13 A S T 3 S+ 0 0 8 -3,-0.1 -1,-0.3 116,-0.1 116,-0.1 0.569 86.3 122.9 69.5 11.1 15.9 44.2 29.9 14 14 A A S < S- 0 0 4 -3,-1.8 146,-0.2 105,-0.1 -2,-0.1 0.707 88.8-103.1 -74.1 -18.0 17.3 41.5 32.2 15 15 A G S > S+ 0 0 23 -4,-0.2 4,-2.0 -5,-0.1 5,-0.2 0.572 75.4 139.0 109.0 12.3 13.9 39.8 31.9 16 16 A K H > S+ 0 0 14 -5,-0.3 4,-3.0 1,-0.2 5,-0.2 0.939 71.8 50.2 -52.4 -57.7 12.2 40.7 35.2 17 17 A S H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 110.1 50.8 -51.4 -44.4 8.7 41.4 33.9 18 18 A G H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 111.8 47.9 -60.8 -44.3 8.6 38.2 31.9 19 19 A I H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.946 109.6 53.8 -61.1 -47.6 9.6 36.2 35.0 20 20 A V H X S+ 0 0 9 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.907 109.0 47.1 -54.4 -47.4 7.0 38.1 37.1 21 21 A R H X S+ 0 0 168 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.871 113.1 50.4 -64.8 -33.5 4.2 37.1 34.7 22 22 A C H X S+ 0 0 26 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.918 108.9 51.3 -68.9 -42.2 5.4 33.5 34.7 23 23 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.921 108.3 51.4 -60.4 -44.0 5.5 33.5 38.5 24 24 A Q H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.829 114.0 45.3 -63.1 -31.1 1.9 34.7 38.6 25 25 A S H < S+ 0 0 102 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.884 119.0 40.9 -78.3 -39.1 0.9 32.0 36.2 26 26 A V H < S+ 0 0 53 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.944 94.6 82.8 -74.5 -54.4 2.9 29.3 38.0 27 27 A L S < S- 0 0 15 -4,-2.9 4,-0.2 -5,-0.2 146,-0.0 -0.333 73.3-141.5 -57.8 129.5 2.2 30.0 41.7 28 28 A P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.815 82.6 63.6 -62.2 -37.4 -1.2 28.5 42.8 29 29 A E S S- 0 0 96 1,-0.1 2,-0.2 0, 0.0 -2,-0.0 -0.655 102.2 -93.2 -90.4 149.4 -2.2 31.5 45.1 30 30 A P - 0 0 99 0, 0.0 58,-0.6 0, 0.0 2,-0.5 -0.429 40.9-165.0 -65.7 125.3 -2.8 34.9 43.5 31 31 A W E -c 88 0A 16 -2,-0.2 2,-0.3 -7,-0.2 58,-0.2 -0.959 11.1-141.4-114.9 127.2 0.3 37.1 43.6 32 32 A L E -c 89 0A 85 56,-3.0 58,-3.5 -2,-0.5 2,-0.5 -0.692 16.9-149.2 -85.2 137.1 0.0 40.9 43.0 33 33 A A E +c 90 0A 36 -2,-0.3 2,-0.3 56,-0.2 58,-0.2 -0.930 24.5 159.3-116.0 129.5 2.8 42.5 41.0 34 34 A F E +c 91 0A 56 56,-2.3 58,-2.1 -2,-0.5 2,-0.3 -0.959 9.6 162.5-138.2 154.3 4.2 46.0 41.4 35 35 A G E > -c 92 0A 4 -2,-0.3 4,-2.0 56,-0.2 58,-0.2 -0.917 56.7 -77.2-158.7-176.0 7.5 47.5 40.3 36 36 A V H > S+ 0 0 26 56,-2.1 4,-2.1 -2,-0.3 5,-0.1 0.832 127.7 54.2 -61.8 -29.0 9.5 50.6 39.6 37 37 A D H > S+ 0 0 69 55,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.917 108.0 44.7 -72.4 -44.2 7.6 50.7 36.3 38 38 A S H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.826 113.1 55.1 -69.1 -28.5 4.1 50.6 37.7 39 39 A L H X S+ 0 0 10 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.945 107.5 46.4 -67.5 -49.9 5.2 53.2 40.2 40 40 A I H < S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.876 110.7 55.2 -60.4 -36.0 6.4 55.6 37.6 41 41 A E H < S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 110.1 45.5 -63.3 -39.4 3.1 54.9 35.8 42 42 A A H < S+ 0 0 83 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.699 99.0 87.8 -77.9 -20.9 1.2 56.0 38.9 43 43 A M S < S- 0 0 13 -4,-1.6 5,-0.1 1,-0.1 25,-0.0 -0.423 96.9 -86.3 -77.4 155.3 3.3 59.0 39.5 44 44 A P > - 0 0 70 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.294 35.4-122.7 -58.2 144.8 2.4 62.4 37.9 45 45 A L G > S+ 0 0 139 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.884 110.5 63.7 -56.9 -39.3 3.8 62.7 34.4 46 46 A K G > S+ 0 0 160 1,-0.3 3,-2.1 2,-0.2 4,-0.5 0.660 80.6 79.7 -62.5 -16.2 5.6 65.9 35.4 47 47 A M G X S+ 0 0 21 -3,-1.6 7,-2.1 1,-0.3 3,-0.6 0.791 85.7 64.3 -60.1 -25.1 7.7 63.9 37.9 48 48 A Q G < S+ 0 0 77 -3,-2.0 8,-0.4 -4,-0.3 -1,-0.3 0.422 109.4 34.7 -80.1 1.1 9.8 62.9 34.8 49 49 A S G < S+ 0 0 106 -3,-2.1 -1,-0.2 6,-0.1 2,-0.2 0.250 94.0 114.3-135.0 8.3 10.9 66.5 34.2 50 50 A A S X S- 0 0 30 -3,-0.6 3,-1.7 -4,-0.5 15,-0.1 -0.555 72.1-121.2 -86.3 148.4 11.2 67.7 37.8 51 51 A E T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.922 114.4 26.4 -47.8 -57.6 14.4 68.7 39.5 52 52 A G T 3 S+ 0 0 5 13,-0.1 16,-2.5 12,-0.1 15,-0.7 -0.001 112.4 84.8-100.1 26.9 14.2 66.1 42.3 53 53 A G S < S- 0 0 2 -3,-1.7 12,-3.5 14,-0.2 2,-0.4 0.312 95.9 -61.4 -96.6-131.7 12.1 63.7 40.2 54 54 A I E -E 64 0B 6 -7,-2.1 2,-0.5 10,-0.2 -4,-0.2 -0.984 46.6-164.2-124.8 132.8 13.4 61.2 37.9 55 55 A E E -E 63 0B 114 8,-2.2 8,-2.0 -2,-0.4 2,-0.8 -0.968 9.6-154.0-122.6 129.6 15.4 62.0 34.8 56 56 A F E -E 62 0B 72 -2,-0.5 6,-0.2 -8,-0.4 5,-0.0 -0.870 19.3-144.1-102.7 106.7 16.2 59.8 31.8 57 57 A D > - 0 0 51 4,-1.9 3,-1.2 -2,-0.8 80,-0.0 -0.204 23.5-114.5 -62.0 159.3 19.4 60.9 30.1 58 58 A A T 3 S+ 0 0 109 1,-0.2 -1,-0.1 2,-0.1 80,-0.1 0.621 115.7 53.5 -73.1 -10.1 19.5 60.6 26.4 59 59 A D T 3 S- 0 0 89 80,-0.1 -1,-0.2 78,-0.1 -2,-0.1 0.258 128.3 -87.7-108.2 11.1 22.3 57.9 26.8 60 60 A G S < S+ 0 0 1 -3,-1.2 79,-0.1 1,-0.3 -2,-0.1 0.374 80.4 138.5 102.7 -5.6 20.5 55.6 29.2 61 61 A G - 0 0 11 -5,-0.0 -4,-1.9 82,-0.0 2,-0.4 -0.358 36.9-154.0 -72.4 155.6 21.4 57.2 32.5 62 62 A V E -E 56 0B 34 -6,-0.2 2,-0.4 78,-0.1 -6,-0.2 -0.991 7.9-170.0-135.3 125.8 18.8 57.5 35.3 63 63 A S E -E 55 0B 58 -8,-2.0 -8,-2.2 -2,-0.4 2,-0.5 -0.946 4.7-160.9-117.4 136.4 18.8 60.1 38.1 64 64 A I E -E 54 0B 38 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.960 8.1-162.4-120.9 119.6 16.5 60.0 41.1 65 65 A G > - 0 0 12 -12,-3.5 4,-2.1 -2,-0.5 -13,-0.1 -0.291 36.7 -97.7 -90.5 177.6 15.9 63.2 43.2 66 66 A P H > S+ 0 0 105 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.796 119.8 61.0 -65.6 -29.5 14.5 63.5 46.7 67 67 A E H > S+ 0 0 103 -15,-0.7 4,-1.6 2,-0.2 -14,-0.2 0.948 108.9 43.0 -61.9 -47.5 11.0 64.3 45.5 68 68 A F H > S+ 0 0 3 -16,-2.5 4,-2.7 -15,-0.2 -1,-0.2 0.927 114.3 51.2 -63.5 -46.4 10.9 60.9 43.8 69 69 A R H X S+ 0 0 97 -4,-2.1 4,-2.9 -17,-0.3 -2,-0.2 0.911 105.1 54.6 -60.6 -44.6 12.4 59.1 46.8 70 70 A A H X S+ 0 0 66 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.929 113.4 43.3 -55.4 -45.9 10.0 60.6 49.3 71 71 A L H X S+ 0 0 74 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.929 111.2 53.3 -65.3 -47.0 7.1 59.3 47.3 72 72 A E H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.900 106.8 55.3 -54.7 -42.2 8.8 55.9 46.6 73 73 A G H X S+ 0 0 5 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.922 108.3 45.1 -58.0 -48.3 9.2 55.5 50.4 74 74 A A H X S+ 0 0 58 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.866 113.9 51.4 -64.7 -35.2 5.5 56.0 51.2 75 75 A W H X S+ 0 0 51 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.869 106.9 53.8 -68.4 -37.6 4.7 53.7 48.3 76 76 A A H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 107.4 50.4 -64.0 -43.5 7.1 51.1 49.8 77 77 A E H X S+ 0 0 122 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.880 110.5 50.4 -62.3 -37.7 5.4 51.2 53.2 78 78 A G H X S+ 0 0 30 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.903 107.9 51.7 -67.5 -41.5 2.0 50.7 51.5 79 79 A V H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 3,-0.2 0.950 111.9 46.9 -59.8 -48.0 3.2 47.7 49.5 80 80 A V H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.903 109.0 55.2 -60.1 -40.6 4.5 46.1 52.8 81 81 A A H X S+ 0 0 54 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.850 103.4 55.4 -61.6 -34.2 1.2 47.0 54.5 82 82 A M H <>S+ 0 0 72 -4,-2.0 5,-2.4 -3,-0.2 -1,-0.2 0.917 108.5 48.7 -63.3 -42.0 -0.6 45.1 51.7 83 83 A A H ><5S+ 0 0 2 -4,-1.7 3,-2.9 1,-0.2 -2,-0.2 0.960 109.1 50.2 -62.2 -52.4 1.6 42.1 52.5 84 84 A R H 3<5S+ 0 0 129 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.1 59.4 -57.9 -25.4 0.9 42.3 56.3 85 85 A A T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.477 130.5 -94.8 -81.8 -2.7 -2.8 42.5 55.3 86 86 A G T < 5S+ 0 0 40 -3,-2.9 2,-0.5 1,-0.3 -3,-0.2 0.516 80.9 132.3 105.5 4.3 -2.5 39.2 53.6 87 87 A A < - 0 0 32 -5,-2.4 2,-0.6 -6,-0.1 -1,-0.3 -0.777 55.8-128.8 -92.6 132.7 -1.8 40.0 50.0 88 88 A R E - c 0 31A 56 -58,-0.6 -56,-3.0 -2,-0.5 2,-0.5 -0.693 32.7-159.7 -79.5 121.0 1.0 38.0 48.4 89 89 A I E -ac 5 32A 0 -85,-1.8 -83,-2.4 -2,-0.6 2,-0.5 -0.901 19.1-168.4-116.8 129.0 3.3 40.6 46.7 90 90 A I E -ac 6 33A 0 -58,-3.5 -56,-2.3 -2,-0.5 2,-0.5 -0.907 14.6-160.7-105.5 131.2 5.9 40.4 44.0 91 91 A I E -ac 7 34A 0 -85,-3.2 -83,-3.5 -2,-0.5 2,-0.6 -0.963 8.5-162.4-121.0 131.4 8.1 43.4 43.5 92 92 A D E +ac 8 35A 17 -58,-2.1 -56,-2.1 -2,-0.5 -55,-0.4 -0.915 29.7 157.9-110.2 105.5 10.1 44.2 40.4 93 93 A D E -a 9 0A 9 -85,-2.5 -83,-1.3 -2,-0.6 2,-0.5 -0.765 40.9-137.1-130.1 171.0 12.9 46.7 41.0 94 94 A V - 0 0 26 -2,-0.2 2,-2.3 -85,-0.2 3,-0.2 -0.920 17.2-150.3-130.0 103.8 16.2 48.1 39.8 95 95 A F > + 0 0 1 -2,-0.5 3,-2.4 1,-0.2 6,-0.1 -0.439 25.4 168.2 -74.7 71.9 18.7 48.7 42.7 96 96 A L T 3 S+ 0 0 66 -2,-2.3 -1,-0.2 1,-0.3 3,-0.1 0.864 79.6 51.1 -53.1 -36.1 20.6 51.6 41.0 97 97 A G T >> S- 0 0 43 1,-0.3 3,-1.6 -3,-0.2 4,-0.5 0.092 98.8-150.9 -90.8 24.0 22.2 52.2 44.4 98 98 A G H X> S+ 0 0 6 -3,-2.4 4,-1.4 1,-0.3 3,-1.2 -0.106 73.7 3.8 46.7-131.6 23.2 48.5 44.8 99 99 A A H 3> S+ 0 0 42 51,-1.3 4,-2.4 1,-0.3 -1,-0.3 0.828 129.5 62.0 -51.6 -37.8 23.4 47.4 48.4 100 100 A A H <> S+ 0 0 72 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.875 102.3 51.8 -58.2 -38.1 22.1 50.8 49.6 101 101 A A H < S+ 0 0 5 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.837 76.0 174.3 -65.8 -35.7 10.1 45.2 55.2 110 110 A G T 3< - 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.432 69.1 -18.3 65.6-131.4 11.1 44.8 58.8 111 111 A D T 3 S+ 0 0 147 -2,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.177 99.1 131.6 -94.8 15.4 10.6 41.2 60.0 112 112 A L < - 0 0 21 -3,-1.7 2,-0.7 1,-0.1 -109,-0.1 -0.465 68.8-108.3 -68.6 139.4 8.3 40.3 57.1 113 113 A D + 0 0 65 -111,-0.2 -109,-2.4 -2,-0.1 -108,-1.8 -0.608 48.3 178.8 -75.7 111.9 9.3 37.1 55.4 114 114 A V E -b 5 0A 16 -2,-0.7 2,-0.7 -110,-0.2 -108,-0.2 -0.887 29.5-144.0-119.3 145.6 10.8 38.0 52.0 115 115 A L E -b 6 0A 9 -110,-3.2 -108,-2.4 -2,-0.3 2,-0.7 -0.909 21.4-152.5-106.9 105.2 12.3 36.0 49.1 116 116 A W E -b 7 0A 26 -2,-0.7 39,-3.5 -110,-0.2 40,-1.7 -0.714 15.4-169.9 -83.8 115.0 15.2 38.1 47.7 117 117 A V E -bd 8 156A 0 -110,-2.8 -108,-1.7 -2,-0.7 2,-0.5 -0.891 12.7-155.8-111.7 132.9 15.7 37.3 44.0 118 118 A G E -bd 9 157A 0 38,-2.8 40,-2.5 -2,-0.4 2,-0.6 -0.903 5.7-164.2-105.2 129.3 18.6 38.3 41.8 119 119 A V E - d 0 158A 0 -110,-2.9 -108,-0.4 -2,-0.5 2,-0.2 -0.911 15.6-176.9-116.8 103.1 17.9 38.4 38.0 120 120 A R E + d 0 159A 74 38,-2.6 40,-2.6 -2,-0.6 41,-0.3 -0.601 11.5 167.0 -99.7 160.3 21.2 38.6 36.0 121 121 A C - 0 0 6 24,-0.4 -110,-0.1 -2,-0.2 -107,-0.1 -0.880 43.5 -95.3-168.6 135.8 21.9 38.9 32.3 122 122 A D > - 0 0 72 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.298 34.7-126.2 -56.5 137.2 25.0 39.7 30.3 123 123 A G H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 107.7 48.3 -51.6 -49.8 25.2 43.3 29.4 124 124 A A H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 113.2 47.7 -62.1 -40.9 25.6 42.8 25.7 125 125 A V H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 112.2 49.1 -66.9 -41.6 22.7 40.3 25.5 126 126 A A H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.901 108.3 54.9 -63.1 -39.9 20.4 42.6 27.5 127 127 A E H X S+ 0 0 95 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.902 107.4 49.7 -59.9 -41.6 21.4 45.5 25.2 128 128 A G H X S+ 0 0 39 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.908 110.4 49.3 -63.8 -41.2 20.3 43.4 22.2 129 129 A R H X S+ 0 0 87 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.842 106.5 57.9 -66.2 -32.1 17.0 42.6 23.9 130 130 A E H X S+ 0 0 5 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.917 109.1 44.1 -62.6 -44.5 16.7 46.4 24.6 131 131 A T H >< S+ 0 0 110 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.909 111.1 56.2 -66.1 -42.0 16.9 47.0 20.8 132 132 A A H 3< S+ 0 0 87 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.819 104.3 51.2 -62.1 -34.4 14.5 44.1 20.1 133 133 A R H 3< S- 0 0 88 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.625 86.9-150.3 -84.3 -8.6 11.7 45.4 22.3 134 134 A G S << S+ 0 0 73 -3,-0.9 2,-0.5 -4,-0.6 -3,-0.1 0.412 71.9 93.2 61.2 -7.1 11.6 48.9 20.8 135 135 A D + 0 0 86 -5,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.611 66.6 70.4-122.9 76.8 10.4 50.4 24.1 136 136 A R S S- 0 0 86 -2,-0.5 2,-0.3 -5,-0.1 -2,-0.1 -0.712 83.5 -99.0 174.6 132.1 13.5 51.6 26.1 137 137 A V > - 0 0 57 -2,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.403 51.3-111.1 -58.3 116.3 16.1 54.3 25.9 138 138 A A T 3 S+ 0 0 72 -2,-0.3 -1,-0.1 1,-0.2 -11,-0.0 -0.273 100.3 39.3 -53.9 128.8 19.2 52.7 24.3 139 139 A G T 3> S+ 0 0 15 -79,-0.1 4,-1.7 -12,-0.1 -1,-0.2 0.146 83.7 95.3 118.6 -20.9 21.9 52.5 26.9 140 140 A M H <> S+ 0 0 13 -3,-1.7 4,-2.3 2,-0.2 5,-0.3 0.951 81.5 54.0 -67.8 -50.6 20.1 51.5 30.0 141 141 A A H > S+ 0 0 0 -4,-0.3 4,-2.0 1,-0.2 3,-0.3 0.932 112.4 43.4 -49.2 -55.0 20.6 47.7 29.8 142 142 A A H 4 S+ 0 0 45 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.919 113.9 51.4 -59.7 -44.8 24.4 48.0 29.5 143 143 A K H < S+ 0 0 103 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.810 119.4 34.3 -63.8 -31.4 24.6 50.6 32.2 144 144 A Q H X S+ 0 0 18 -4,-2.3 4,-1.1 -3,-0.3 -1,-0.2 0.631 86.5 97.4-101.6 -14.5 22.6 48.6 34.7 145 145 A A T < S+ 0 0 7 -4,-2.0 -24,-0.4 -5,-0.3 -134,-0.2 0.764 104.7 7.5 -46.1 -36.1 23.6 45.0 34.0 146 146 A Y T >> S+ 0 0 134 -4,-0.4 3,-2.2 -3,-0.2 4,-0.7 0.796 117.5 63.2-116.5 -49.7 26.3 44.8 36.7 147 147 A V G >4 S+ 0 0 71 -4,-0.4 3,-0.9 1,-0.3 -2,-0.1 0.826 95.2 67.4 -47.5 -38.1 26.4 47.8 39.0 148 148 A V G 3< S+ 0 0 2 -4,-1.1 -1,-0.3 1,-0.2 -53,-0.2 0.700 102.3 44.9 -59.5 -23.0 22.8 47.0 40.2 149 149 A H G X4 S+ 0 0 9 -3,-2.2 3,-2.5 -5,-0.2 -1,-0.2 0.593 77.7 128.5 -99.1 -12.9 24.0 43.7 41.9 150 150 A E T << S- 0 0 122 -3,-0.9 -51,-1.3 -4,-0.7 3,-0.1 -0.212 88.9 -7.5 -50.9 119.2 27.1 45.0 43.7 151 151 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -53,-0.2 -1,-0.3 0.620 99.5 138.1 69.4 14.9 27.0 44.0 47.4 152 152 A V < - 0 0 16 -3,-2.5 2,-0.5 -50,-0.0 -1,-0.2 -0.778 44.7-142.3 -96.9 136.1 23.4 42.8 47.1 153 153 A E - 0 0 125 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.0 -0.843 19.7-172.4-103.2 128.1 22.4 39.5 48.9 154 154 A Y - 0 0 35 -2,-0.5 -37,-0.2 1,-0.1 3,-0.1 -0.769 31.4-155.0-117.3 160.9 20.0 37.1 47.3 155 155 A D S S+ 0 0 92 -39,-3.5 2,-0.3 1,-0.4 -38,-0.2 0.688 93.9 18.9 -97.4 -30.1 18.1 33.9 48.3 156 156 A V E -d 117 0A 11 -40,-1.7 -38,-2.8 2,-0.0 2,-0.4 -0.998 66.7-164.2-143.8 138.5 17.9 32.9 44.7 157 157 A E E +d 118 0A 114 -2,-0.3 2,-0.3 -40,-0.2 -38,-0.2 -0.991 9.5 179.1-126.3 129.1 19.8 33.9 41.6 158 158 A V E -d 119 0A 13 -40,-2.5 -38,-2.6 -2,-0.4 2,-0.5 -0.912 15.3-149.9-124.9 154.7 18.7 33.2 38.1 159 159 A D E > -d 120 0A 63 -2,-0.3 3,-0.6 -40,-0.2 4,-0.3 -0.982 6.6-167.4-129.3 119.4 20.4 34.2 34.9 160 160 A T T 3 + 0 0 4 -40,-2.6 -39,-0.2 -2,-0.5 -1,-0.1 0.474 67.5 97.2 -84.2 -2.0 18.3 34.9 31.8 161 161 A T T 3 S+ 0 0 14 -41,-0.3 -1,-0.2 1,-0.2 -40,-0.1 0.895 112.1 2.2 -53.9 -41.6 21.4 34.9 29.4 162 162 A H S < S+ 0 0 166 -3,-0.6 2,-0.4 2,-0.1 -1,-0.2 0.193 119.6 85.1-131.6 16.4 20.6 31.2 28.5 163 163 A K S S- 0 0 119 -4,-0.3 2,-0.0 4,-0.0 -5,-0.0 -0.969 72.6-124.0-123.2 136.3 17.5 30.5 30.5 164 164 A E > - 0 0 133 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.333 27.5-113.2 -71.3 158.0 13.9 31.2 29.4 165 165 A S H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.920 117.5 52.7 -57.3 -47.7 11.6 33.3 31.7 166 166 A I H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 109.0 51.4 -58.6 -36.2 9.3 30.3 32.5 167 167 A E H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 109.2 48.0 -67.8 -44.0 12.4 28.3 33.5 168 168 A C H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.851 109.2 56.6 -63.9 -32.6 13.7 31.0 35.9 169 169 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.2 -1,-0.2 0.912 104.9 50.2 -64.8 -43.2 10.2 31.2 37.2 170 170 A W H X S+ 0 0 144 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.931 109.8 51.1 -61.3 -44.2 10.3 27.5 38.1 171 171 A A H < S+ 0 0 44 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.918 115.1 42.8 -59.1 -42.8 13.6 28.0 39.9 172 172 A I H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.916 108.8 56.6 -70.8 -44.1 12.2 30.9 41.9 173 173 A A H >< S+ 0 0 17 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.829 97.4 64.0 -57.7 -33.8 8.8 29.2 42.7 174 174 A A T 3< S+ 0 0 84 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.754 101.3 51.5 -63.4 -23.6 10.6 26.2 44.3 175 175 A H T < S+ 0 0 97 -3,-1.6 2,-0.8 -4,-0.4 -1,-0.3 0.371 85.6 104.9 -93.9 4.7 12.0 28.6 46.9 176 176 A V < - 0 0 20 -3,-1.8 -174,-0.1 -4,-0.2 -170,-0.0 -0.780 63.9-147.5 -91.6 113.3 8.5 30.0 47.8 177 177 A V 0 0 45 -2,-0.8 -174,-2.8 -176,-0.3 -2,-0.1 -0.680 360.0 360.0 -81.4 120.2 7.3 28.6 51.0 178 178 A P 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -174,-0.0 -0.077 360.0 360.0 -68.2 360.0 3.4 28.3 51.0