==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-11 4A8T . COMPND 2 MOLECULE: PUTRESCINE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR L.M.POLO,F.GIL-ORTIZ,V.RUBIO . 318 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 14.5 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 0 1 1 0 1 1 2 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 2 4 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 1 0 1 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 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 0 A S 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.3 18.3 -40.5 32.8 2 1 A M + 0 0 107 315,-0.0 2,-0.3 1,-0.0 314,-0.1 0.250 360.0 16.3-111.9 7.0 22.0 -40.3 34.0 3 2 A K - 0 0 27 117,-0.1 2,-0.3 313,-0.1 117,-0.1 -0.959 65.7-131.0-160.4 174.6 22.8 -36.9 32.5 4 3 A R - 0 0 43 -2,-0.3 2,-0.2 305,-0.2 309,-0.1 -0.995 17.9-151.6-135.0 143.3 21.2 -33.7 31.0 5 4 A D - 0 0 34 -2,-0.3 2,-0.2 116,-0.2 118,-0.2 -0.638 13.3-143.9-106.7 166.9 22.0 -31.9 27.8 6 5 A Y B +a 123 0A 0 116,-2.8 118,-2.7 -2,-0.2 3,-0.1 -0.670 53.8 127.4-128.5 74.8 21.8 -28.3 26.7 7 6 A V S S+ 0 0 18 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.771 80.4 1.6 -96.4 -38.7 20.8 -28.6 23.0 8 7 A T > - 0 0 18 -3,-0.1 3,-1.5 123,-0.1 -1,-0.4 -0.986 59.2-130.6-149.1 145.0 17.7 -26.4 23.1 9 8 A T G > S+ 0 0 0 -2,-0.3 3,-2.1 1,-0.3 8,-0.1 0.573 96.0 89.3 -69.5 -7.5 16.0 -24.2 25.8 10 9 A E G 3 S+ 0 0 63 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.757 85.5 53.1 -58.5 -23.8 12.8 -26.0 24.7 11 10 A T G < S+ 0 0 87 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 0.274 99.8 79.5 -94.9 11.2 13.7 -28.6 27.3 12 11 A Y S < S- 0 0 3 -3,-2.1 2,-0.1 4,-0.0 -6,-0.0 -0.939 71.5-136.1-120.4 139.7 14.1 -26.1 30.1 13 12 A T > - 0 0 65 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.446 30.6-106.4 -83.4 167.6 11.4 -24.4 32.2 14 13 A K H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 122.5 54.2 -57.5 -39.2 11.3 -20.7 33.1 15 14 A E H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 107.8 48.9 -65.8 -40.7 12.3 -21.6 36.6 16 15 A E H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 110.7 50.5 -66.0 -40.1 15.3 -23.5 35.4 17 16 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 110.0 50.3 -65.4 -40.8 16.4 -20.6 33.2 18 17 A H H X S+ 0 0 59 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.900 109.3 51.6 -60.3 -41.5 16.1 -18.2 36.1 19 18 A Y H X S+ 0 0 135 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.927 109.5 50.1 -60.7 -43.2 18.2 -20.6 38.2 20 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.909 112.4 47.0 -61.7 -43.9 20.8 -20.6 35.5 21 20 A V H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.948 113.1 48.3 -60.1 -49.3 20.8 -16.8 35.4 22 21 A D H X S+ 0 0 86 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.911 113.4 47.0 -62.1 -43.3 21.0 -16.5 39.1 23 22 A L H X S+ 0 0 29 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.928 112.8 50.1 -62.0 -46.2 23.9 -19.1 39.3 24 23 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.912 111.2 47.9 -59.3 -44.8 25.7 -17.3 36.5 25 24 A L H X S+ 0 0 40 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.855 109.0 53.9 -70.3 -33.1 25.4 -13.9 38.1 26 25 A K H X S+ 0 0 149 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.923 111.5 45.4 -63.2 -43.7 26.6 -15.2 41.5 27 26 A I H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 112.1 52.3 -65.1 -43.5 29.7 -16.6 39.9 28 27 A K H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.903 109.0 49.7 -57.2 -45.0 30.2 -13.4 38.0 29 28 A E H X S+ 0 0 122 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.878 108.6 52.2 -64.2 -40.2 30.0 -11.3 41.1 30 29 A A H <>S+ 0 0 24 -4,-1.9 5,-2.6 2,-0.2 3,-0.3 0.952 112.0 45.9 -59.4 -48.5 32.5 -13.5 43.0 31 30 A I H ><5S+ 0 0 25 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.882 107.8 57.2 -65.5 -37.4 35.0 -13.2 40.1 32 31 A K H 3<5S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 106.8 50.7 -58.9 -34.6 34.4 -9.4 40.0 33 32 A N T 3<5S- 0 0 126 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.285 128.8 -99.8 -87.8 9.3 35.4 -9.3 43.6 34 33 A G T < 5S+ 0 0 59 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.533 86.2 119.4 89.4 8.8 38.6 -11.3 42.9 35 34 A Y < - 0 0 155 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.937 46.2-159.1-114.5 125.5 37.4 -14.7 43.9 36 35 A Y - 0 0 108 -2,-0.5 2,-0.4 -5,-0.1 -8,-0.1 -0.866 16.2-139.7-103.4 106.4 37.3 -17.7 41.5 37 36 A P - 0 0 20 0, 0.0 2,-2.0 0, 0.0 3,-0.2 -0.537 9.3-143.0 -70.0 121.9 34.9 -20.5 42.7 38 37 A Q > + 0 0 86 -2,-0.4 3,-0.6 1,-0.2 29,-0.1 -0.471 48.3 143.2 -85.7 70.2 36.6 -23.8 41.9 39 38 A L T 3 + 0 0 79 -2,-2.0 -1,-0.2 1,-0.2 29,-0.2 0.544 68.9 42.1 -89.7 -11.6 33.4 -25.5 40.9 40 39 A L T > S+ 0 0 3 27,-3.0 3,-2.3 -3,-0.2 -1,-0.2 -0.202 79.0 176.1-126.0 40.4 34.8 -27.7 38.1 41 40 A K T < S- 0 0 123 -3,-0.6 28,-0.3 1,-0.3 27,-0.1 -0.245 71.3 -8.3 -61.1 125.8 38.0 -28.8 39.6 42 41 A N T 3 S+ 0 0 131 26,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.537 98.3 140.9 65.7 12.1 39.9 -31.3 37.4 43 42 A K < - 0 0 80 -3,-2.3 27,-2.3 21,-0.1 2,-0.4 -0.597 41.1-144.6 -85.9 148.1 37.0 -31.6 35.0 44 43 A S E -b 70 0A 32 -2,-0.2 55,-2.3 25,-0.2 56,-1.4 -0.948 8.1-162.0-121.8 127.9 37.7 -31.8 31.2 45 44 A L E -bc 71 100A 0 25,-2.6 27,-3.1 -2,-0.4 2,-0.5 -0.936 11.5-145.9-108.8 124.7 35.5 -30.2 28.5 46 45 A G E -bc 72 101A 0 54,-2.5 56,-2.4 -2,-0.5 2,-0.6 -0.805 15.4-160.3 -85.6 127.6 35.9 -31.4 24.9 47 46 A M E -bc 73 102A 0 25,-2.6 27,-3.1 -2,-0.5 2,-0.6 -0.901 7.0-172.0-116.9 102.6 35.3 -28.5 22.5 48 47 A I E -bc 74 103A 3 54,-2.5 56,-2.4 -2,-0.6 2,-0.5 -0.845 3.5-175.0 -98.6 117.1 34.4 -29.5 19.0 49 48 A F E + c 0 104A 2 25,-2.1 56,-0.1 -2,-0.6 28,-0.1 -0.953 20.5 172.6-117.3 118.5 34.3 -26.6 16.5 50 49 A Q S S+ 0 0 47 54,-2.3 2,-0.3 -2,-0.5 55,-0.1 0.482 77.8 35.1 -92.3 -8.2 33.1 -27.1 12.9 51 50 A Q S S- 0 0 30 53,-0.2 53,-0.1 1,-0.0 55,-0.0 -0.915 97.5 -82.8-139.5 164.1 33.2 -23.4 12.3 52 51 A S + 0 0 108 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.1 -0.272 48.4 173.2 -65.9 155.7 35.3 -20.4 13.4 53 52 A S + 0 0 24 1,-0.1 -4,-0.0 -4,-0.1 51,-0.0 -0.907 27.0 172.3-165.9 135.6 34.5 -18.7 16.7 54 53 A T S > S+ 0 0 85 -2,-0.3 4,-2.3 3,-0.1 5,-0.3 0.749 88.0 33.4-103.9 -62.4 35.9 -16.0 19.0 55 54 A R H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.924 121.9 43.5 -66.7 -47.1 33.3 -15.5 21.8 56 55 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.961 118.8 42.9 -65.6 -48.8 31.9 -19.1 22.1 57 56 A R H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.948 117.6 44.1 -63.8 -50.1 35.3 -20.8 22.0 58 57 A V H X S+ 0 0 71 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.900 111.7 55.2 -65.3 -37.6 37.1 -18.3 24.3 59 58 A S H X S+ 0 0 10 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.930 111.0 44.1 -59.1 -47.3 34.2 -18.3 26.7 60 59 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.936 116.6 45.6 -64.0 -44.3 34.3 -22.1 27.1 61 60 A E H X S+ 0 0 64 -4,-2.4 4,-1.7 -5,-0.2 10,-0.3 0.926 117.7 43.0 -68.8 -43.8 38.1 -22.3 27.4 62 61 A T H X S+ 0 0 50 -4,-3.1 4,-2.9 -5,-0.2 5,-0.2 0.923 110.6 56.4 -65.9 -43.4 38.3 -19.4 29.9 63 62 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 6,-0.2 0.915 106.1 50.6 -55.7 -45.0 35.3 -20.7 31.9 64 63 A M H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 4,-0.4 0.945 112.4 46.1 -62.0 -45.9 36.9 -24.0 32.4 65 64 A E H ><5S+ 0 0 131 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.931 111.2 52.1 -61.0 -46.8 40.2 -22.4 33.7 66 65 A Q H 3<5S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.829 112.4 45.5 -59.0 -34.9 38.3 -20.0 36.0 67 66 A L T 3<5S- 0 0 0 -4,-1.9 -27,-3.0 -5,-0.2 -1,-0.3 0.313 124.6 -98.6 -95.5 5.9 36.3 -22.8 37.6 68 67 A G T < 5S+ 0 0 12 -3,-1.5 -26,-2.4 -4,-0.4 -3,-0.2 0.529 92.0 88.2 93.4 10.3 39.4 -25.1 38.0 69 68 A G < - 0 0 8 -5,-2.9 2,-0.3 -28,-0.3 -1,-0.3 -0.232 67.7-113.6-115.4-154.2 39.0 -27.4 35.0 70 69 A H E -b 44 0A 106 -27,-2.3 -25,-2.6 -30,-0.1 2,-0.4 -0.996 7.4-143.1-153.3 143.0 40.2 -27.3 31.4 71 70 A G E -b 45 0A 0 -2,-0.3 2,-0.5 -10,-0.3 -25,-0.2 -0.917 14.1-148.5-109.3 135.1 38.8 -27.1 27.9 72 71 A E E -b 46 0A 67 -27,-3.1 -25,-2.6 -2,-0.4 2,-0.9 -0.900 12.3-138.9-104.9 121.6 40.3 -29.0 25.0 73 72 A Y E -b 47 0A 78 -2,-0.5 2,-0.9 -27,-0.1 -25,-0.2 -0.701 16.3-172.2 -85.6 108.4 40.1 -27.3 21.6 74 73 A L E -b 48 0A 29 -27,-3.1 -25,-2.1 -2,-0.9 3,-0.1 -0.886 24.5-144.6 -99.3 103.1 39.2 -30.0 19.0 75 74 A A - 0 0 47 -2,-0.9 -25,-0.1 1,-0.2 -27,-0.0 -0.178 32.1 -68.2 -72.9 162.1 39.6 -27.9 15.8 76 75 A P 0 0 67 0, 0.0 -1,-0.2 0, 0.0 -26,-0.2 -0.258 360.0 360.0 -49.1 124.3 37.6 -28.1 12.6 77 76 A G 0 0 89 2,-0.2 3,-0.3 -3,-0.1 -2,-0.1 0.195 360.0 360.0 72.8 360.0 38.4 -31.5 11.0 78 ! 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 79 78 A I 0 0 81 0, 0.0 -2,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 96.6 37.7 -35.0 15.2 80 79 A Q - 0 0 62 -3,-0.3 2,-0.6 -4,-0.1 5,-0.1 -0.508 360.0-134.4 -75.5 139.5 35.0 -35.4 12.6 81 80 A L S S- 0 0 22 -2,-0.2 2,-0.1 9,-0.0 6,-0.1 -0.881 81.7 -12.0 -92.9 119.9 31.4 -36.0 13.6 82 81 A G S S+ 0 0 24 -2,-0.6 3,-0.5 3,-0.3 2,-0.3 -0.425 96.3 100.6 75.0-164.1 30.2 -38.8 11.4 83 82 A G S S- 0 0 72 1,-0.2 4,-0.1 -2,-0.1 -1,-0.1 -0.684 98.3 -10.6 88.6-143.7 32.4 -39.8 8.4 84 83 A H S S+ 0 0 194 -2,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.911 135.5 51.8 -60.5 -48.4 34.6 -42.8 8.5 85 84 A E S S- 0 0 94 -3,-0.5 -3,-0.3 -5,-0.1 -1,-0.1 -0.825 98.9-118.3 -89.8 128.7 34.1 -43.3 12.3 86 85 A T > - 0 0 61 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.206 13.6-120.3 -67.3 154.3 30.4 -43.4 13.2 87 86 A I H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.856 114.7 58.3 -61.0 -34.7 28.9 -40.8 15.5 88 87 A E H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 109.3 44.5 -61.4 -42.3 27.9 -43.6 17.9 89 88 A D H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 114.3 47.3 -68.8 -46.9 31.6 -44.6 18.2 90 89 A T H X S+ 0 0 6 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.920 113.9 49.1 -59.8 -42.5 32.9 -41.0 18.6 91 90 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 28,-0.4 0.907 113.1 44.9 -65.5 -44.3 30.2 -40.3 21.2 92 91 A R H X S+ 0 0 138 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.880 114.9 49.3 -69.7 -37.8 30.8 -43.4 23.2 93 92 A V H >X S+ 0 0 73 -4,-2.6 3,-1.4 1,-0.2 4,-0.7 0.954 111.5 46.8 -66.1 -50.0 34.6 -42.9 23.1 94 93 A L H >X S+ 0 0 18 -4,-2.9 4,-1.9 1,-0.3 3,-1.0 0.848 102.7 65.6 -62.0 -31.5 34.5 -39.2 24.1 95 94 A S H 3< S+ 0 0 13 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.753 105.5 44.6 -61.9 -24.3 32.2 -40.2 26.9 96 95 A R H << S+ 0 0 216 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.621 117.4 43.9 -87.7 -16.6 35.0 -42.2 28.4 97 96 A L H << S+ 0 0 123 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 0.564 115.1 30.2-115.2 -14.9 37.7 -39.5 27.9 98 97 A V < - 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0 0 11 -2,-2.4 4,-2.2 1,-0.1 5,-0.2 -0.231 55.0-103.0 -75.4 168.6 19.0 -16.3 11.7 165 164 A Q H > S+ 0 0 10 155,-0.2 4,-2.5 1,-0.2 -34,-0.4 0.837 127.0 54.4 -59.5 -31.7 19.4 -19.1 14.3 166 165 A V H > S+ 0 0 0 2,-0.2 4,-2.8 -36,-0.2 -1,-0.2 0.897 104.4 53.4 -68.8 -41.4 20.1 -16.3 16.8 167 166 A C H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.956 112.5 44.1 -53.7 -51.1 16.8 -14.6 15.8 168 167 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.938 112.7 51.5 -62.4 -46.7 14.9 -17.8 16.5 169 168 A S H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.904 107.6 52.1 -57.3 -42.6 16.9 -18.4 19.7 170 169 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.910 110.0 50.3 -61.6 -40.5 16.1 -14.9 21.0 171 170 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.3 0.919 109.9 51.1 -59.1 -44.2 12.4 -15.6 20.2 172 171 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.918 114.5 40.9 -61.7 -45.9 12.7 -18.9 22.2 173 172 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 6,-0.2 0.930 115.0 49.2 -73.8 -42.8 14.2 -17.4 25.3 174 173 A T H <>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 4,-0.3 0.938 115.4 44.3 -62.6 -44.9 12.1 -14.2 25.4 175 174 A T H ><5S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.3 33,-0.4 0.885 110.1 55.9 -67.2 -36.4 8.9 -16.2 25.0 176 175 A K H 3<5S+ 0 0 22 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.866 109.2 47.7 -59.9 -36.0 10.1 -18.8 27.6 177 176 A M T 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.444 120.9-107.9 -88.1 0.7 10.5 -16.0 30.1 178 177 A G T < 5S+ 0 0 5 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.674 73.3 137.2 84.1 20.2 7.1 -14.5 29.4 179 178 A M < - 0 0 0 -5,-2.8 30,-1.9 -6,-0.2 2,-0.6 -0.177 60.0 -98.9 -90.0-178.7 8.4 -11.4 27.5 180 179 A N E -eg 156 209B 50 -25,-2.2 -23,-3.1 28,-0.2 2,-0.4 -0.939 41.3-170.3-111.2 117.0 7.2 -9.7 24.4 181 180 A F E -eg 157 210B 1 28,-2.7 30,-1.1 -2,-0.6 2,-0.4 -0.849 9.9-176.9-111.5 141.4 9.1 -10.7 21.2 182 181 A V E -eg 158 211B 10 -25,-2.2 -23,-3.2 -2,-0.4 2,-0.7 -0.997 15.3-157.4-132.6 133.1 9.0 -9.3 17.7 183 182 A H E -eg 159 212B 0 28,-2.7 30,-2.8 -2,-0.4 2,-0.8 -0.955 13.1-168.0-100.1 110.2 10.9 -10.4 14.6 184 183 A F E +eg 160 213B 1 -25,-2.9 -23,-2.6 -2,-0.7 30,-0.2 -0.890 34.2 133.7 -95.1 103.7 11.0 -7.4 12.3 185 184 A G - 0 0 0 28,-2.0 5,-0.1 -2,-0.8 -23,-0.1 -0.978 56.5 -92.8-152.5 157.5 12.2 -8.8 9.0 186 185 A P > - 0 0 15 0, 0.0 3,-2.3 0, 0.0 29,-0.0 -0.405 53.4 -87.9 -77.7 150.7 11.3 -8.7 5.3 187 186 A E T 3 S+ 0 0 146 1,-0.3 26,-0.0 2,-0.2 0, 0.0 -0.298 118.3 31.8 -56.7 137.0 9.0 -11.3 3.7 188 187 A G T 3 S+ 0 0 77 3,-0.1 -1,-0.3 -3,-0.1 4,-0.0 0.155 118.1 59.3 95.4 -15.7 10.9 -14.3 2.6 189 188 A F S < S+ 0 0 65 -3,-2.3 -26,-0.9 2,-0.1 2,-0.2 0.005 80.9 112.5-131.6 25.6 13.4 -13.9 5.5 190 189 A Q S S- 0 0 50 -28,-0.1 -27,-0.1 -5,-0.1 -28,-0.1 -0.630 82.9 -81.2 -97.9 155.6 11.0 -14.1 8.4 191 190 A L - 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