==== 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 27-MAY-99 1QHS . COMPND 2 MOLECULE: PROTEIN (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) . 8982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 73.6 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 . 15 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 35.4 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 0 1 1 0 1 0 3 0 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 0 173 0, 0.0 176,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 3.6 8.3 30.6 57.2 2 2 A T - 0 0 34 1,-0.1 2,-0.4 174,-0.1 111,-0.2 -0.420 360.0-117.3 -62.5 131.4 5.5 31.4 54.7 3 3 A T + 0 0 4 174,-2.9 111,-0.2 1,-0.2 3,-0.1 -0.579 36.2 174.2 -74.8 125.6 6.8 33.7 52.1 4 4 A R + 0 0 97 109,-2.5 85,-1.9 -2,-0.4 2,-0.4 0.767 65.1 24.0-100.2 -35.2 5.0 37.1 52.1 5 5 A M E -ab 89 114A 0 108,-1.7 110,-3.1 83,-0.2 2,-0.6 -0.993 55.1-158.2-137.0 143.2 6.9 39.1 49.5 6 6 A I E -ab 90 115A 0 83,-2.5 85,-3.0 -2,-0.4 2,-0.7 -0.965 16.6-167.7-118.5 108.6 9.1 38.2 46.5 7 7 A I E -ab 91 116A 1 108,-1.8 110,-2.9 -2,-0.6 2,-0.4 -0.884 4.0-166.3-103.2 112.9 11.4 41.1 45.7 8 8 A L E -ab 92 117A 0 83,-3.3 85,-2.7 -2,-0.7 2,-0.4 -0.771 2.7-169.0 -98.7 143.1 13.2 40.8 42.4 9 9 A N E +ab 93 118A 1 108,-1.9 110,-3.0 -2,-0.4 2,-0.3 -0.997 23.3 127.2-133.0 132.9 16.1 42.9 41.4 10 10 A G - 0 0 0 83,-1.1 110,-0.1 -2,-0.4 3,-0.1 -0.974 52.4 -87.9-172.5 163.5 17.7 43.2 38.0 11 11 A G > - 0 0 2 108,-0.5 3,-2.1 -2,-0.3 5,-0.3 -0.383 62.2 -73.4 -80.2 160.9 18.8 45.7 35.3 12 12 A S T 3 S+ 0 0 9 1,-0.3 -1,-0.2 128,-0.2 118,-0.1 -0.216 120.3 13.2 -52.7 138.6 16.5 46.9 32.5 13 13 A S T 3 S+ 0 0 7 -3,-0.1 -1,-0.3 116,-0.1 116,-0.1 0.550 88.3 121.2 69.2 9.0 15.8 44.2 29.8 14 14 A A S < S- 0 0 5 -3,-2.1 146,-0.2 105,-0.1 -2,-0.1 0.727 90.4-100.9 -73.4 -19.8 17.3 41.5 32.1 15 15 A G S > S+ 0 0 20 -4,-0.3 4,-1.8 -5,-0.1 5,-0.2 0.530 77.4 135.7 115.0 9.2 13.9 39.8 31.9 16 16 A K H > S+ 0 0 17 -5,-0.3 4,-3.0 1,-0.2 3,-0.3 0.933 71.2 50.2 -55.4 -56.8 12.1 40.6 35.1 17 17 A S H > S+ 0 0 55 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.885 111.5 51.5 -52.1 -40.1 8.6 41.5 33.8 18 18 A G H > S+ 0 0 21 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.891 111.4 46.4 -63.8 -40.2 8.6 38.2 31.8 19 19 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 -3,-0.3 -2,-0.2 0.892 109.0 57.3 -68.5 -38.8 9.6 36.3 34.9 20 20 A V H X S+ 0 0 11 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.936 106.7 45.8 -58.3 -50.6 6.9 38.1 37.0 21 21 A R H X S+ 0 0 160 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.873 112.9 52.2 -62.3 -36.2 4.0 37.1 34.7 22 22 A C H X S+ 0 0 26 -4,-1.5 4,-3.5 2,-0.2 3,-0.2 0.932 108.7 49.8 -64.8 -45.7 5.3 33.5 34.7 23 23 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.931 108.7 52.6 -58.0 -45.6 5.4 33.5 38.5 24 24 A Q H < S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.827 115.0 42.4 -60.7 -30.5 1.9 34.8 38.6 25 25 A S H < S+ 0 0 102 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.896 119.7 42.4 -81.5 -43.0 0.8 31.9 36.3 26 26 A V H < S+ 0 0 54 -4,-3.5 -2,-0.2 -5,-0.1 -3,-0.2 0.988 94.2 83.1 -67.5 -62.1 2.9 29.3 38.0 27 27 A L S < S- 0 0 14 -4,-2.5 4,-0.1 -5,-0.2 146,-0.0 -0.141 73.8-140.7 -48.1 135.0 2.3 30.0 41.7 28 28 A P S S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.846 83.5 61.1 -67.9 -40.1 -1.0 28.5 43.0 29 29 A E S S- 0 0 97 1,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.626 101.9 -94.1 -89.5 151.5 -2.0 31.4 45.2 30 30 A P - 0 0 95 0, 0.0 58,-0.6 0, 0.0 2,-0.5 -0.478 40.0-165.8 -69.8 128.2 -2.6 34.9 43.6 31 31 A W E -c 88 0A 15 -2,-0.3 2,-0.3 -7,-0.2 58,-0.2 -0.964 12.0-140.7-117.1 129.4 0.4 37.2 43.7 32 32 A L E -c 89 0A 82 56,-3.2 58,-3.4 -2,-0.5 2,-0.4 -0.681 17.8-147.9 -85.9 141.5 0.1 40.9 43.1 33 33 A A E +c 90 0A 36 -2,-0.3 2,-0.3 56,-0.2 58,-0.2 -0.928 26.2 155.4-116.6 137.3 2.9 42.5 41.0 34 34 A F E +c 91 0A 64 56,-2.1 58,-3.0 -2,-0.4 2,-0.3 -0.956 9.7 163.8-148.2 160.3 4.2 46.0 41.4 35 35 A G E > -c 92 0A 5 -2,-0.3 4,-2.6 56,-0.2 5,-0.2 -0.977 55.6 -74.6-167.7 178.4 7.5 47.6 40.6 36 36 A V H > S+ 0 0 25 56,-1.6 4,-2.1 -2,-0.3 57,-0.1 0.849 127.7 52.6 -54.2 -33.7 9.5 50.7 40.0 37 37 A D H > S+ 0 0 69 55,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.912 108.9 44.6 -72.4 -42.4 7.8 50.9 36.6 38 38 A S H > S+ 0 0 44 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.855 113.5 53.8 -68.5 -31.6 4.2 50.7 37.8 39 39 A L H X S+ 0 0 9 -4,-2.6 4,-1.3 2,-0.2 3,-0.3 0.938 108.3 49.1 -65.5 -45.1 5.2 53.2 40.5 40 40 A I H >< S+ 0 0 22 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.920 109.5 51.1 -60.5 -43.8 6.5 55.5 37.8 41 41 A E H 3< S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.803 110.6 50.5 -64.5 -26.1 3.3 55.2 35.8 42 42 A A H 3< S+ 0 0 83 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.674 96.0 84.4 -85.0 -19.5 1.4 56.0 39.0 43 43 A M S << S- 0 0 12 -4,-1.3 5,-0.1 -3,-0.6 25,-0.0 -0.477 99.3 -85.2 -79.8 155.5 3.4 59.1 39.7 44 44 A P > - 0 0 70 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.287 35.2-121.0 -59.3 146.8 2.4 62.4 38.0 45 45 A L G > S+ 0 0 130 1,-0.3 3,-2.3 2,-0.2 4,-0.1 0.889 110.6 63.6 -56.0 -41.7 3.9 62.8 34.5 46 46 A K G >> S+ 0 0 168 1,-0.3 3,-2.8 2,-0.2 4,-0.6 0.723 81.7 78.6 -58.1 -22.5 5.6 66.0 35.5 47 47 A M G <4 S+ 0 0 25 -3,-1.4 7,-1.9 1,-0.3 3,-0.5 0.787 88.1 61.1 -55.4 -26.1 7.8 64.1 38.0 48 48 A Q G <4 S+ 0 0 71 -3,-2.3 8,-0.3 -4,-0.3 -1,-0.3 0.446 109.3 38.7 -82.0 -0.1 9.7 63.1 35.0 49 49 A S T <4 S+ 0 0 113 -3,-2.8 2,-0.4 6,-0.1 -1,-0.2 0.291 95.0 97.7-129.0 4.6 10.6 66.7 34.2 50 50 A A S >< S- 0 0 39 -4,-0.6 3,-2.2 -3,-0.5 15,-0.2 -0.838 74.6-128.6-102.9 134.9 11.2 68.0 37.8 51 51 A E T 3 S+ 0 0 197 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.855 108.1 43.2 -48.4 -51.6 14.8 68.2 39.1 52 52 A G T 3 S+ 0 0 9 13,-0.1 16,-2.9 14,-0.1 15,-0.9 0.192 112.0 70.2 -85.1 19.3 14.2 66.2 42.4 53 53 A G S < S- 0 0 1 -3,-2.2 12,-3.1 14,-0.2 2,-0.4 0.193 104.7 -55.3-105.1-135.6 12.1 63.7 40.5 54 54 A I E -E 64 0B 5 -7,-1.9 2,-0.4 10,-0.2 -4,-0.2 -0.953 48.9-167.0-118.5 134.7 13.3 61.2 37.9 55 55 A E E -E 63 0B 108 8,-2.4 8,-2.2 -2,-0.4 2,-0.7 -0.964 11.6-151.4-124.4 136.9 15.4 62.1 34.9 56 56 A F E -E 62 0B 77 -2,-0.4 6,-0.2 -8,-0.3 -2,-0.0 -0.857 15.5-148.0-109.8 102.6 16.3 60.1 31.8 57 57 A D > - 0 0 49 4,-1.5 3,-1.3 -2,-0.7 80,-0.0 -0.206 24.7-117.1 -59.4 156.3 19.6 61.0 30.2 58 58 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.1 80,-0.1 0.728 114.3 58.7 -70.9 -20.7 19.7 60.6 26.5 59 59 A D T 3 S- 0 0 91 80,-0.1 -1,-0.3 78,-0.0 -2,-0.1 0.369 128.4 -93.9 -89.2 5.2 22.4 58.0 26.8 60 60 A G S < S+ 0 0 2 -3,-1.3 -2,-0.1 1,-0.3 79,-0.1 0.523 78.1 141.8 98.3 5.3 20.2 55.8 29.0 61 61 A G - 0 0 10 82,-0.0 -4,-1.5 -5,-0.0 2,-0.4 -0.413 37.6-148.0 -77.2 158.4 21.3 57.0 32.4 62 62 A V E -E 56 0B 37 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.986 10.7-169.8-133.3 125.2 18.7 57.4 35.2 63 63 A S E -E 55 0B 50 -8,-2.2 -8,-2.4 -2,-0.4 2,-0.5 -0.919 5.2-159.1-115.2 138.4 18.9 60.0 38.0 64 64 A I E -E 54 0B 71 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.966 6.6-162.8-121.3 128.1 16.6 60.0 41.1 65 65 A G > - 0 0 9 -12,-3.1 4,-2.6 -2,-0.5 5,-0.2 -0.485 35.2 -99.9-100.5 173.8 16.0 63.1 43.2 66 66 A P H > S+ 0 0 102 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.799 118.2 58.1 -63.2 -33.1 14.6 63.4 46.7 67 67 A E H > S+ 0 0 121 -15,-0.9 4,-1.7 2,-0.2 -14,-0.2 0.946 112.7 41.5 -63.5 -44.3 11.0 64.4 45.7 68 68 A F H > S+ 0 0 2 -16,-2.9 4,-2.7 2,-0.2 5,-0.2 0.954 115.2 50.3 -64.4 -51.3 10.9 61.1 43.8 69 69 A R H X S+ 0 0 142 -4,-2.6 4,-2.4 -17,-0.3 -2,-0.2 0.890 107.2 54.9 -55.7 -42.6 12.6 59.1 46.6 70 70 A A H X S+ 0 0 69 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.925 111.0 44.3 -57.5 -47.6 10.2 60.6 49.2 71 71 A L H X S+ 0 0 74 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.946 109.6 55.4 -62.5 -50.1 7.2 59.4 47.3 72 72 A E H X S+ 0 0 25 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.887 103.9 58.0 -49.7 -43.0 8.7 56.0 46.6 73 73 A G H X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.939 106.6 44.0 -54.7 -54.4 9.2 55.6 50.3 74 74 A A H X S+ 0 0 61 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.874 114.0 53.8 -60.2 -35.7 5.5 56.0 51.2 75 75 A W H X S+ 0 0 46 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.952 106.4 50.8 -62.3 -49.9 4.8 53.7 48.3 76 76 A A H X S+ 0 0 3 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.926 109.4 51.0 -53.5 -48.0 7.2 51.0 49.7 77 77 A E H X S+ 0 0 115 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.901 108.9 52.0 -57.8 -41.0 5.5 51.2 53.0 78 78 A G H X S+ 0 0 31 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.893 107.8 50.6 -63.4 -41.0 2.1 50.8 51.4 79 79 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-0.3 0.918 110.4 49.3 -63.1 -42.8 3.2 47.7 49.5 80 80 A V H X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.3 -1,-0.2 0.889 107.9 55.9 -62.4 -37.8 4.6 46.2 52.8 81 81 A A H X S+ 0 0 55 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.817 103.6 54.0 -63.6 -32.8 1.2 47.0 54.3 82 82 A M H <>S+ 0 0 68 -4,-1.5 5,-2.6 -3,-0.3 4,-0.3 0.906 108.5 48.6 -68.7 -40.4 -0.5 45.0 51.6 83 83 A A H ><5S+ 0 0 2 -4,-1.8 3,-2.4 3,-0.2 -2,-0.2 0.966 111.6 49.7 -61.2 -52.0 1.6 42.0 52.5 84 84 A R H 3<5S+ 0 0 124 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.868 105.5 57.6 -53.4 -40.0 0.8 42.5 56.1 85 85 A A T 3<5S- 0 0 91 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.552 130.6 -96.0 -70.3 -6.7 -2.9 42.7 55.2 86 86 A G T < 5S+ 0 0 42 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.610 80.4 133.0 104.5 11.9 -2.5 39.3 53.6 87 87 A A < - 0 0 33 -5,-2.6 2,-0.6 -6,-0.1 -1,-0.3 -0.817 56.7-126.5 -96.8 136.2 -1.8 39.9 50.0 88 88 A R E - c 0 31A 55 -58,-0.6 -56,-3.2 -2,-0.4 2,-0.4 -0.728 34.9-159.9 -80.7 119.6 1.0 38.0 48.4 89 89 A I E -ac 5 32A 0 -85,-1.9 -83,-2.5 -2,-0.6 2,-0.5 -0.866 19.0-166.5-112.7 136.8 3.2 40.7 46.8 90 90 A I E -ac 6 33A 0 -58,-3.4 -56,-2.1 -2,-0.4 2,-0.5 -0.959 12.3-158.8-113.5 131.0 5.9 40.5 44.0 91 91 A I E -ac 7 34A 0 -85,-3.0 -83,-3.3 -2,-0.5 2,-1.0 -0.951 6.5-161.8-116.2 120.3 8.1 43.5 43.6 92 92 A D E +ac 8 35A 26 -58,-3.0 -56,-1.6 -2,-0.5 -55,-0.5 -0.839 32.7 162.1 -99.0 99.1 9.9 44.1 40.3 93 93 A D E -a 9 0A 11 -85,-2.7 -83,-1.1 -2,-1.0 2,-0.3 -0.525 39.8-142.4-114.2-179.1 12.7 46.5 41.2 94 94 A V - 0 0 25 -85,-0.2 2,-2.2 -2,-0.2 3,-0.2 -0.793 16.6-148.6-144.4 93.6 16.0 47.9 39.9 95 95 A F > + 0 0 2 -2,-0.3 3,-1.8 1,-0.2 6,-0.1 -0.413 27.0 166.9 -67.7 79.8 18.5 48.5 42.7 96 96 A L T 3 S+ 0 0 78 -2,-2.2 -1,-0.2 1,-0.3 3,-0.1 0.873 79.9 51.4 -62.0 -34.7 20.3 51.5 41.1 97 97 A G T > S- 0 0 38 1,-0.3 3,-1.5 -3,-0.2 4,-0.4 0.186 97.6-153.1 -88.3 18.2 21.9 52.1 44.5 98 98 A G T X> S+ 0 0 6 -3,-1.8 4,-1.6 1,-0.3 3,-0.9 -0.169 74.6 2.8 49.4-130.7 23.1 48.5 44.8 99 99 A A H 3> S+ 0 0 40 51,-1.3 4,-2.5 1,-0.3 -1,-0.3 0.873 130.3 62.6 -52.1 -41.7 23.4 47.4 48.4 100 100 A A H <> S+ 0 0 60 -3,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.892 103.9 49.3 -51.3 -43.0 22.1 50.8 49.5 101 101 A A H <> S+ 0 0 2 -3,-0.9 4,-1.9 -4,-0.4 -1,-0.2 0.921 107.8 51.7 -64.6 -46.9 18.8 50.0 47.8 102 102 A Q H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.882 109.0 52.5 -59.1 -37.8 18.5 46.6 49.4 103 103 A E H X S+ 0 0 104 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.949 103.6 56.4 -61.7 -47.8 18.9 48.2 52.8 104 104 A R H X S+ 0 0 69 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.902 111.0 45.1 -50.3 -44.3 16.2 50.7 52.0 105 105 A W H X S+ 0 0 12 -4,-1.9 4,-2.9 1,-0.2 3,-0.4 0.952 107.4 56.4 -66.2 -49.1 13.9 47.7 51.4 106 106 A R H X S+ 0 0 85 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.871 105.4 54.3 -49.5 -40.5 15.0 45.9 54.5 107 107 A S H < S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.916 112.4 41.1 -62.2 -45.2 14.0 48.9 56.5 108 108 A F H < S+ 0 0 53 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.857 115.4 51.9 -70.9 -36.5 10.5 49.0 55.1 109 109 A V H >< S+ 0 0 4 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.889 77.9 172.7 -69.0 -43.8 10.0 45.2 55.3 110 110 A G T 3< - 0 0 52 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.455 69.8 -15.4 69.6-137.3 11.0 44.6 58.9 111 111 A D T 3 S+ 0 0 145 -2,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.218 99.5 129.3 -87.3 16.3 10.5 41.1 60.1 112 112 A L S < S- 0 0 21 -3,-1.2 2,-0.7 1,-0.1 -109,-0.1 -0.500 70.4-107.2 -71.3 138.0 8.2 40.3 57.1 113 113 A D + 0 0 64 -111,-0.2 -109,-2.5 -2,-0.2 -108,-1.7 -0.554 48.6 178.7 -72.8 113.7 9.2 37.0 55.3 114 114 A V E -b 5 0A 17 -2,-0.7 2,-0.7 -110,-0.2 -108,-0.2 -0.925 28.4-146.1-122.0 140.6 10.8 38.0 52.0 115 115 A L E -b 6 0A 8 -110,-3.1 -108,-1.8 -2,-0.4 2,-0.7 -0.893 19.8-151.3-104.4 107.3 12.3 36.1 49.2 116 116 A W E -b 7 0A 23 -2,-0.7 39,-3.4 -110,-0.2 40,-1.6 -0.701 16.8-169.4 -83.1 112.9 15.2 38.1 47.7 117 117 A V E -bd 8 156A 0 -110,-2.9 -108,-1.9 -2,-0.7 2,-0.5 -0.854 12.0-155.8-108.6 137.7 15.6 37.2 44.0 118 118 A G E -bd 9 157A 0 38,-2.4 40,-2.8 -2,-0.4 2,-0.7 -0.937 3.8-165.6-111.5 125.7 18.4 38.3 41.7 119 119 A V E - d 0 158A 0 -110,-3.0 -108,-0.5 -2,-0.5 40,-0.2 -0.898 16.4-177.8-112.8 104.1 17.8 38.4 38.0 120 120 A R E + d 0 159A 72 38,-2.9 40,-2.5 -2,-0.7 41,-0.3 -0.582 10.2 168.5 -99.9 163.1 21.1 38.6 36.0 121 121 A C - 0 0 6 24,-0.4 -110,-0.1 38,-0.2 5,-0.1 -0.835 43.9 -93.5-171.9 132.1 21.8 38.8 32.3 122 122 A D > - 0 0 72 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.239 34.5-130.8 -50.9 130.2 24.9 39.6 30.3 123 123 A G H > S+ 0 0 5 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.918 106.9 51.6 -49.8 -51.4 25.1 43.3 29.6 124 124 A A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.921 113.4 44.3 -54.1 -47.7 25.7 42.7 25.9 125 125 A V H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 112.5 51.4 -65.4 -41.2 22.7 40.3 25.6 126 126 A A H X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.919 108.6 52.6 -60.3 -42.7 20.5 42.7 27.7 127 127 A E H X S+ 0 0 100 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.827 107.2 52.8 -62.1 -33.4 21.5 45.5 25.3 128 128 A G H X S+ 0 0 39 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.935 110.3 45.8 -67.9 -45.8 20.5 43.3 22.4 129 129 A R H X S+ 0 0 85 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.839 105.4 62.4 -64.3 -34.1 17.0 42.7 23.9 130 130 A E H X S+ 0 0 7 -4,-2.3 4,-1.6 1,-0.2 6,-0.4 0.910 107.1 44.3 -57.4 -43.1 16.8 46.4 24.6 131 131 A T H < S+ 0 0 106 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.922 111.4 53.5 -66.9 -45.8 17.0 47.0 20.9 132 132 A A H < S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 110.8 45.3 -59.7 -37.5 14.5 44.2 20.1 133 133 A R H < S- 0 0 91 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.849 86.5-164.6 -76.8 -32.4 11.9 45.6 22.4 134 134 A G < + 0 0 61 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.551 60.7 95.8 61.7 11.4 12.4 49.1 21.2 135 135 A D + 0 0 91 -5,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.040 67.8 71.0-121.6 28.3 10.5 50.7 24.1 136 136 A R S S- 0 0 84 -6,-0.4 2,-0.7 -5,-0.0 -2,-0.0 -0.874 93.6 -90.0-132.3 165.0 13.4 51.6 26.5 137 137 A V > - 0 0 50 -2,-0.3 3,-2.1 -77,-0.1 4,-0.3 -0.704 51.9-109.9 -80.6 117.5 16.1 54.3 26.2 138 138 A A T 3 S+ 0 0 73 -2,-0.7 -1,-0.1 1,-0.3 -11,-0.0 -0.176 103.3 34.0 -48.0 125.3 19.0 52.7 24.4 139 139 A G T 3> S+ 0 0 18 -79,-0.1 4,-2.0 -12,-0.1 -1,-0.3 0.146 85.2 99.4 114.9 -20.8 21.8 52.3 26.9 140 140 A M H <> S+ 0 0 16 -3,-2.1 4,-2.2 2,-0.2 5,-0.3 0.956 80.4 55.7 -62.8 -49.5 19.8 51.6 30.1 141 141 A A H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 3,-0.2 0.918 111.7 40.9 -47.4 -58.0 20.4 47.8 29.8 142 142 A A H > S+ 0 0 43 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.923 113.1 53.0 -60.6 -48.6 24.2 48.0 29.7 143 143 A K H < S+ 0 0 103 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.828 119.9 35.4 -57.4 -32.5 24.5 50.7 32.4 144 144 A Q H X S+ 0 0 14 -4,-2.2 4,-1.3 -3,-0.2 -2,-0.2 0.762 87.6 96.1 -94.3 -28.1 22.4 48.6 34.7 145 145 A A H < S+ 0 0 6 -4,-2.7 -24,-0.4 -5,-0.3 -134,-0.2 0.725 105.7 5.0 -34.1 -41.2 23.4 45.0 33.9 146 146 A Y T >X S+ 0 0 127 -4,-0.5 3,-2.7 -3,-0.2 4,-0.9 0.818 114.8 66.2-117.2 -54.1 26.0 44.8 36.7 147 147 A V T 34 S+ 0 0 68 -4,-0.4 3,-0.3 1,-0.3 -2,-0.1 0.761 94.2 71.1 -42.9 -28.8 26.2 47.8 39.1 148 148 A V T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.2 -53,-0.1 0.769 102.0 39.2 -62.7 -28.5 22.7 46.8 40.3 149 149 A H T X4 S+ 0 0 7 -3,-2.7 3,-3.2 -5,-0.2 -1,-0.2 0.646 79.4 124.5 -98.1 -16.8 23.8 43.6 42.1 150 150 A E T 3< S- 0 0 127 -4,-0.9 -51,-1.3 1,-0.3 3,-0.1 -0.234 92.0 -2.1 -50.2 112.1 27.1 44.9 43.6 151 151 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 -53,-0.2 -1,-0.3 0.524 100.9 131.2 83.4 6.5 26.8 44.2 47.3 152 152 A V < - 0 0 16 -3,-3.2 2,-0.5 -57,-0.0 -1,-0.3 -0.773 46.3-147.5 -95.7 137.7 23.2 42.8 47.1 153 153 A E - 0 0 119 -2,-0.4 2,-0.2 -3,-0.1 3,-0.0 -0.913 16.6-171.4-109.0 123.9 22.4 39.5 48.8 154 154 A Y - 0 0 31 -2,-0.5 -37,-0.2 1,-0.1 3,-0.1 -0.695 30.3-149.9-111.7 163.1 19.8 37.1 47.3 155 155 A D S S+ 0 0 92 -39,-3.4 2,-0.3 1,-0.4 -38,-0.2 0.650 94.3 18.5 -96.5 -24.4 18.1 33.9 48.4 156 156 A V E -d 117 0A 11 -40,-1.6 -38,-2.4 2,-0.0 2,-0.4 -0.994 67.8-162.2-146.9 145.0 17.9 32.8 44.8 157 157 A E E -d 118 0A 111 -2,-0.3 2,-0.3 -40,-0.2 -38,-0.2 -0.996 7.0-178.4-132.4 133.4 19.6 33.9 41.6 158 158 A V E -d 119 0A 9 -40,-2.8 -38,-2.9 -2,-0.4 2,-0.5 -0.935 13.9-152.0-126.8 151.0 18.6 33.2 38.0 159 159 A D E > -d 120 0A 62 -2,-0.3 3,-0.8 -40,-0.2 4,-0.3 -0.960 4.5-167.5-127.4 112.3 20.4 34.2 34.9 160 160 A T T 3 + 0 0 4 -40,-2.5 -39,-0.2 -2,-0.5 -1,-0.1 0.443 66.0 99.7 -78.2 0.3 18.3 34.9 31.8 161 161 A T T 3 S+ 0 0 13 -41,-0.3 -1,-0.2 1,-0.2 -40,-0.1 0.861 110.4 2.2 -55.0 -36.2 21.3 34.9 29.5 162 162 A H S < S+ 0 0 170 -3,-0.8 2,-0.4 2,-0.1 -1,-0.2 0.172 118.8 86.4-136.6 17.3 20.5 31.3 28.5 163 163 A K S S- 0 0 117 -4,-0.3 -1,-0.0 4,-0.0 -5,-0.0 -0.979 71.0-124.9-126.8 132.7 17.3 30.6 30.4 164 164 A E > - 0 0 134 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.238 28.9-111.9 -65.5 159.2 13.7 31.2 29.4 165 165 A S H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.941 117.5 53.4 -57.9 -50.4 11.5 33.2 31.7 166 166 A I H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.853 109.3 50.0 -56.1 -36.0 9.3 30.3 32.5 167 167 A E H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.971 111.1 46.8 -67.7 -51.4 12.4 28.3 33.5 168 168 A C H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.847 109.6 57.5 -56.8 -33.3 13.7 31.0 35.8 169 169 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.3 0.931 104.4 50.3 -62.8 -45.9 10.1 31.2 37.2 170 170 A W H X S+ 0 0 144 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.885 109.2 51.1 -60.1 -40.9 10.3 27.5 38.1 171 171 A A H < S+ 0 0 43 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.902 114.4 43.9 -63.6 -41.1 13.6 28.0 39.9 172 172 A I H >< S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.903 109.2 54.8 -71.9 -42.8 12.2 30.9 41.9 173 173 A A H >< S+ 0 0 17 -4,-3.0 3,-2.8 1,-0.3 -1,-0.2 0.904 97.7 66.2 -57.8 -40.8 8.8 29.3 42.7 174 174 A A T 3< S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.742 100.6 49.9 -53.3 -26.7 10.7 26.3 44.2 175 175 A H T < S+ 0 0 98 -3,-1.4 2,-0.7 -4,-0.4 -1,-0.3 0.351 86.0 107.1 -95.2 6.1 12.0 28.6 47.0 176 176 A V < - 0 0 23 -3,-2.8 -174,-0.1 -4,-0.2 -170,-0.0 -0.770 61.1-149.1 -91.0 114.5 8.6 30.0 47.8 177 177 A V 0 0 48 -2,-0.7 -174,-2.9 -176,-0.3 -2,-0.1 -0.693 360.0 360.0 -84.3 123.8 7.3 28.7 51.1 178 178 A P 0 0 137 0, 0.0 -174,-0.1 0, 0.0 -1,-0.0 -0.195 360.0 360.0 -72.0 360.0 3.5 28.4 51.2