==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAY-12 4FCU . COMPND 2 MOLECULE: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPA . 253 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 10.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 1 1 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 2 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 . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 0 110 0, 0.0 92,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 153.4 20.6 -7.4 -12.8 2 2 A K E -a 93 0A 54 90,-0.2 41,-2.3 39,-0.1 42,-0.9 -0.966 360.0-167.3-116.7 136.3 21.2 -3.8 -11.8 3 3 A H E -ab 94 44A 0 90,-3.0 92,-2.7 -2,-0.4 2,-0.5 -0.941 16.6-145.7-127.7 140.1 21.9 -1.2 -14.4 4 4 A I E -ab 95 45A 3 40,-2.3 42,-1.7 -2,-0.4 2,-0.4 -0.927 17.9-170.3-102.1 128.3 23.1 2.4 -14.3 5 5 A V E -ab 96 46A 0 90,-2.5 92,-2.4 -2,-0.5 42,-0.2 -0.986 6.8-161.5-120.1 127.5 21.6 4.7 -17.0 6 6 A I E - b 0 47A 0 40,-2.3 42,-2.5 -2,-0.4 2,-0.2 -0.909 9.7-156.8-109.5 97.4 23.1 8.1 -17.5 7 7 A P E + b 0 48A 11 0, 0.0 92,-2.0 0, 0.0 2,-0.3 -0.601 17.3 175.1 -75.4 142.4 20.6 10.4 -19.4 8 8 A A + 0 0 7 40,-2.5 42,-0.4 -2,-0.2 43,-0.4 -0.952 6.9 148.3-152.3 128.6 22.3 13.3 -21.2 9 9 A R - 0 0 28 -2,-0.3 3,-0.2 40,-0.2 40,-0.0 -0.892 46.5-126.4-147.8 174.1 20.8 15.9 -23.5 10 10 A F S S+ 0 0 43 -2,-0.3 5,-0.2 1,-0.1 8,-0.2 0.432 74.8 110.6-103.5 -4.8 21.1 19.6 -24.7 11 11 A S + 0 0 107 1,-0.1 2,-1.8 2,-0.1 -1,-0.1 0.688 41.9 116.3 -45.7 -22.0 17.5 20.6 -24.0 12 12 A S > - 0 0 18 -3,-0.2 2,-3.3 1,-0.2 3,-1.6 -0.289 59.5-158.6 -49.7 81.9 18.9 22.7 -21.1 13 13 A S T 3 S+ 0 0 122 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 -0.306 80.2 48.7 -71.3 63.1 17.7 25.9 -22.8 14 14 A R T 3 S+ 0 0 170 -2,-3.3 -1,-0.2 222,-0.0 -2,-0.1 0.278 109.3 41.5-168.9 -28.6 20.2 28.1 -20.9 15 15 A L S X S- 0 0 16 -3,-1.6 3,-1.3 -5,-0.2 -3,-0.1 -0.832 77.7-148.0-134.9 95.4 23.7 26.4 -21.2 16 16 A P T 3 S+ 0 0 107 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 -0.380 79.5 8.6 -66.9 139.4 24.4 25.0 -24.8 17 17 A G T >> S+ 0 0 22 -7,-0.1 3,-2.3 -2,-0.1 4,-0.8 0.575 81.8 162.5 70.6 14.0 26.5 21.9 -25.1 18 18 A K G X4 + 0 0 15 -3,-1.3 3,-1.3 1,-0.3 10,-0.3 0.740 65.6 48.2 -35.1 -58.8 26.4 21.4 -21.3 19 19 A P G 34 S+ 0 0 5 0, 0.0 10,-3.0 0, 0.0 11,-0.3 0.730 112.2 52.4 -60.6 -21.3 27.5 17.7 -21.0 20 20 A L G <4 S+ 0 0 41 -3,-2.3 -2,-0.2 8,-0.2 -3,-0.1 0.623 85.9 105.9 -89.5 -14.3 30.4 18.3 -23.4 21 21 A L S << S- 0 0 50 -3,-1.3 7,-2.8 -4,-0.8 2,-0.2 -0.324 76.2 -96.5 -71.1 152.5 31.8 21.3 -21.4 22 22 A L E -J 27 0B 78 5,-0.2 2,-0.5 6,-0.1 223,-0.1 -0.447 29.5-176.0 -87.8 139.0 35.0 20.8 -19.4 23 23 A I E > S-J 26 0B 0 3,-2.4 3,-1.1 -2,-0.2 219,-0.1 -0.985 91.4 -18.4-123.5 111.8 35.6 20.0 -15.7 24 24 A H T 3 S- 0 0 56 -2,-0.5 -1,-0.1 1,-0.2 228,-0.0 0.946 132.0 -51.8 47.7 49.7 39.4 19.9 -15.0 25 25 A D T 3 S+ 0 0 139 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.606 120.5 102.1 66.9 19.7 39.9 19.6 -18.8 26 26 A R E < S-J 23 0B 58 -3,-1.1 -3,-2.4 -5,-0.1 -1,-0.1 -0.996 81.6 -99.6-133.5 133.3 37.6 16.6 -19.3 27 27 A P E >> -J 22 0B 25 0, 0.0 4,-1.5 0, 0.0 3,-0.6 -0.206 30.8-125.7 -50.3 137.3 34.0 16.7 -20.7 28 28 A M H 3> S+ 0 0 0 -7,-2.8 4,-2.0 -10,-0.3 3,-0.3 0.884 108.3 57.1 -51.8 -43.7 31.4 16.6 -17.8 29 29 A I H 3> S+ 0 0 0 -10,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.883 105.7 50.4 -59.2 -38.2 29.6 13.6 -19.3 30 30 A L H <> S+ 0 0 7 -3,-0.6 4,-2.4 -11,-0.3 -1,-0.3 0.805 108.4 52.0 -71.5 -30.6 32.8 11.5 -19.3 31 31 A R H X S+ 0 0 23 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.814 106.9 53.5 -72.7 -30.8 33.4 12.4 -15.6 32 32 A V H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.935 111.2 46.5 -65.3 -47.2 29.9 11.3 -14.8 33 33 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.929 110.2 52.3 -57.4 -49.5 30.7 8.0 -16.5 34 34 A D H X S+ 0 0 36 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.914 112.9 45.8 -52.5 -45.7 34.1 7.7 -14.6 35 35 A Q H >< S+ 0 0 37 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.909 111.8 50.9 -65.2 -43.5 32.2 8.3 -11.3 36 36 A A H >< S+ 0 0 6 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.846 100.6 63.3 -64.7 -34.2 29.5 5.7 -12.2 37 37 A K H 3< S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.739 95.9 62.1 -61.9 -22.3 32.1 3.0 -13.1 38 38 A K T << S+ 0 0 105 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.3 0.560 75.9 106.3 -81.4 -12.4 33.2 3.1 -9.5 39 39 A V X - 0 0 13 -3,-1.6 3,-0.5 -4,-0.3 2,-0.1 -0.588 68.2-134.8 -72.8 124.0 29.9 2.0 -8.1 40 40 A E T 3 S+ 0 0 149 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.409 75.7 26.2 -81.4 152.3 30.1 -1.7 -6.9 41 41 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.760 84.3 122.4 72.9 26.5 27.6 -4.4 -7.6 42 42 A F < - 0 0 32 -3,-0.5 -1,-0.2 -5,-0.1 -39,-0.2 -0.963 53.8-146.4-119.4 138.2 26.1 -3.1 -10.8 43 43 A D - 0 0 94 -41,-2.3 2,-0.3 -2,-0.4 -40,-0.2 0.843 68.3 -15.5 -75.8 -35.2 26.2 -5.1 -14.0 44 44 A D E -b 3 0A 60 -42,-0.9 -40,-2.3 2,-0.0 2,-0.3 -0.973 51.1-138.2-162.9 172.9 26.6 -2.4 -16.6 45 45 A L E +b 4 0A 33 -2,-0.3 19,-0.5 -42,-0.2 2,-0.3 -0.995 19.0 172.1-143.1 139.5 26.4 1.2 -17.5 46 46 A C E -b 5 0A 2 -42,-1.7 -40,-2.3 -2,-0.3 2,-0.4 -0.960 26.4-129.4-144.9 162.4 25.1 3.1 -20.5 47 47 A V E -bc 6 65A 0 17,-2.3 19,-3.0 -2,-0.3 2,-0.5 -0.951 19.8-154.3-113.4 131.4 24.5 6.7 -21.6 48 48 A A E +bc 7 66A 4 -42,-2.5 -40,-2.5 -2,-0.4 2,-0.3 -0.946 30.0 142.6-112.0 124.8 21.1 7.6 -23.0 49 49 A T E - c 0 67A 0 17,-2.1 19,-1.4 -2,-0.5 -40,-0.2 -0.985 47.0-146.4-156.1 161.7 20.8 10.5 -25.4 50 50 A D S S+ 0 0 55 -42,-0.4 2,-0.5 -2,-0.3 20,-0.1 0.317 78.8 82.9-111.2 3.5 19.1 11.8 -28.5 51 51 A D >> - 0 0 14 -43,-0.4 4,-1.9 1,-0.1 3,-0.7 -0.944 65.0-149.5-119.0 125.8 22.0 13.9 -29.8 52 52 A E H 3> S+ 0 0 98 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.691 94.4 65.3 -59.5 -26.6 25.0 12.5 -31.8 53 53 A R H 3> S+ 0 0 156 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.931 108.2 40.8 -62.9 -44.4 27.5 15.1 -30.5 54 54 A I H <> S+ 0 0 0 -3,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.923 115.2 53.2 -67.5 -42.7 27.1 13.6 -27.0 55 55 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.901 105.8 53.2 -57.3 -47.2 27.0 10.1 -28.5 56 56 A E H X S+ 0 0 118 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.906 108.9 48.2 -55.7 -48.6 30.3 10.6 -30.4 57 57 A I H < S+ 0 0 59 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.894 116.5 43.3 -61.3 -43.0 32.3 11.7 -27.3 58 58 A C H ><>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 3,-1.2 0.928 113.4 49.4 -71.5 -45.8 31.0 8.8 -25.3 59 59 A R H ><5S+ 0 0 111 -4,-3.1 3,-2.5 1,-0.3 -2,-0.2 0.897 104.3 60.4 -61.8 -40.0 31.5 6.1 -28.0 60 60 A A T 3<5S+ 0 0 84 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.709 105.8 49.0 -58.6 -21.7 35.0 7.4 -28.6 61 61 A E T < 5S- 0 0 87 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.165 124.6-103.7-103.5 13.0 35.8 6.5 -25.0 62 62 A G T < 5S+ 0 0 72 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.555 71.7 147.5 77.3 9.3 34.2 2.9 -25.4 63 63 A V < - 0 0 11 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.2 -0.581 51.7-117.8 -82.5 138.0 31.0 3.9 -23.5 64 64 A D - 0 0 75 -19,-0.5 -17,-2.3 -2,-0.3 2,-0.4 -0.585 33.7-166.3 -74.0 125.6 27.7 2.2 -24.5 65 65 A V E -c 47 0A 7 -2,-0.4 2,-0.5 -19,-0.2 -17,-0.2 -0.971 10.4-160.9-119.6 136.2 25.2 4.7 -25.8 66 66 A V E -c 48 0A 7 -19,-3.0 -17,-2.1 -2,-0.4 2,-0.6 -0.951 17.6-135.7-114.3 125.6 21.5 4.2 -26.4 67 67 A L E -c 49 0A 81 -2,-0.5 -17,-0.2 -19,-0.2 2,-0.2 -0.717 27.0-168.0 -83.4 119.8 19.6 6.6 -28.6 68 68 A T - 0 0 11 -19,-1.4 2,-0.3 -2,-0.6 10,-0.1 -0.603 34.4 -71.0-105.5 168.5 16.3 7.7 -27.1 69 69 A S > - 0 0 28 -2,-0.2 3,-1.0 1,-0.1 -19,-0.1 -0.392 32.7-154.6 -65.2 121.0 13.3 9.5 -28.6 70 70 A A T 3 S+ 0 0 73 -2,-0.3 -1,-0.1 1,-0.2 -20,-0.1 0.801 90.8 47.4 -65.1 -28.8 13.9 13.2 -29.2 71 71 A D T 3 S+ 0 0 131 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.261 87.6 85.7-104.8 12.1 10.3 14.2 -28.9 72 72 A H < - 0 0 78 -3,-1.0 6,-0.1 1,-0.1 -1,-0.1 -0.945 57.1-170.5-108.6 107.3 9.2 12.4 -25.7 73 73 A P + 0 0 116 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.696 48.2 109.1 -72.9 -19.4 10.2 14.9 -22.9 74 74 A S > - 0 0 14 1,-0.1 4,-1.9 2,-0.1 5,-0.1 -0.362 56.2-154.7 -66.7 130.4 9.5 12.5 -20.0 75 75 A G H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.850 99.7 50.8 -68.8 -34.8 12.6 11.2 -18.1 76 76 A T H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 108.2 51.9 -70.1 -41.8 10.7 8.2 -17.0 77 77 A D H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.900 108.7 51.8 -59.7 -42.1 9.5 7.5 -20.6 78 78 A R H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.905 108.3 50.3 -62.7 -41.0 13.2 7.6 -21.8 79 79 A L H X S+ 0 0 8 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.906 110.6 50.1 -63.5 -40.2 14.3 5.1 -19.1 80 80 A S H X S+ 0 0 3 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.879 108.8 52.5 -63.2 -39.2 11.5 2.8 -20.1 81 81 A E H X S+ 0 0 23 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 107.7 51.2 -65.5 -41.4 12.6 3.1 -23.7 82 82 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.939 109.6 49.7 -60.3 -47.3 16.2 2.2 -22.8 83 83 A A H X>S+ 0 0 5 -4,-2.3 5,-1.4 1,-0.2 4,-0.7 0.862 111.9 49.7 -59.4 -35.7 15.0 -0.9 -20.9 84 84 A R H ><5S+ 0 0 148 -4,-1.8 3,-0.7 2,-0.2 -2,-0.2 0.922 109.7 49.1 -69.7 -45.5 13.0 -1.9 -24.0 85 85 A I H 3<5S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 114.8 46.8 -60.2 -40.6 16.0 -1.4 -26.4 86 86 A K H 3<5S- 0 0 73 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.581 101.4-133.1 -77.6 -16.1 18.2 -3.5 -24.1 87 87 A G T <<5 + 0 0 65 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.736 39.9 178.1 67.6 22.6 15.6 -6.3 -23.7 88 88 A W < - 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0 0 148 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.333 50.7 -79.2 -70.1 161.2 -2.5 7.5 -19.2 201 201 A M - 0 0 107 1,-0.1 -1,-0.1 -4,-0.1 10,-0.0 -0.374 58.2-107.8 -59.8 135.0 -1.0 10.6 -17.7 202 202 A G > - 0 0 6 9,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.322 10.6-133.6 -69.5 147.5 -2.2 11.1 -14.2 203 203 A K H > S+ 0 0 142 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.911 112.9 40.6 -65.0 -40.5 -4.7 13.8 -13.3 204 204 A L H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.898 112.6 56.8 -72.8 -40.9 -2.5 14.8 -10.3 205 205 A E H >>S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-1.4 0.900 107.8 47.3 -51.1 -49.2 0.7 14.3 -12.3 206 206 A K H <5S+ 0 0 107 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.871 114.6 45.9 -68.7 -34.7 -0.4 16.8 -15.0 207 207 A L H <5S+ 0 0 129 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.977 123.1 33.3 -69.8 -54.6 -1.5 19.4 -12.4 208 208 A E H <5S- 0 0 31 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.724 101.5-131.2 -72.2 -23.9 1.7 19.1 -10.2 209 209 A S T <5 + 0 0 86 -4,-2.0 2,-0.4 -5,-0.4 -3,-0.2 0.950 60.2 139.3 66.1 50.8 3.9 18.4 -13.2 210 210 A L > < - 0 0 9 -5,-1.4 3,-1.5 -6,-0.2 4,-0.4 -0.929 44.2-159.2-132.9 107.3 5.4 15.4 -11.4 211 211 A E T > S+ 0 0 66 -2,-0.4 3,-1.3 1,-0.3 4,-0.3 0.822 88.4 62.0 -53.9 -38.7 6.1 12.3 -13.3 212 212 A Q T >> S+ 0 0 10 1,-0.3 4,-1.2 2,-0.2 3,-1.1 0.688 84.7 75.2 -68.4 -20.7 6.2 10.0 -10.2 213 213 A L H <> S+ 0 0 2 -3,-1.5 4,-2.9 1,-0.2 -1,-0.3 0.806 84.0 67.8 -60.7 -26.8 2.6 10.8 -9.3 214 214 A R H <> S+ 0 0 19 -3,-1.3 4,-1.2 -4,-0.4 -1,-0.2 0.854 98.0 53.1 -59.1 -34.4 1.5 8.5 -12.1 215 215 A V H <4>S+ 0 0 2 -3,-1.1 5,-2.2 -4,-0.3 3,-0.4 0.949 112.2 42.0 -66.7 -50.4 3.0 5.6 -10.1 216 216 A L H ><5S+ 0 0 38 -4,-1.2 3,-1.6 1,-0.2 -2,-0.2 0.895 111.4 56.8 -63.6 -39.4 1.0 6.4 -6.9 217 217 A E H 3<5S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 105.6 51.3 -65.3 -25.2 -2.2 7.1 -8.9 218 218 A N T 3<5S- 0 0 59 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.134 124.1-101.4 -99.1 19.6 -2.0 3.6 -10.4 219 219 A G T < 5S+ 0 0 41 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.554 77.9 131.9 78.8 12.7 -1.7 1.9 -7.0 220 220 A H < - 0 0 38 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.3 -0.631 50.5-125.9 -95.0 153.7 2.0 1.2 -7.0 221 221 A R - 0 0 124 -100,-0.5 -98,-2.4 -2,-0.2 -97,-1.0 -0.776 10.4-146.9-107.4 148.8 4.1 2.1 -4.0 222 222 A I E -f 124 0A 1 -69,-0.5 -69,-2.9 -2,-0.3 -97,-0.2 -0.959 10.9-144.1-116.7 122.4 7.3 4.2 -3.8 223 223 A A E +fI 125 152A 0 -99,-2.9 -97,-1.5 -2,-0.5 2,-0.3 -0.552 26.5 177.7 -82.8 147.4 10.1 3.4 -1.3 224 224 A I E +f 126 0A 1 -73,-1.7 2,-0.3 -99,-0.2 -97,-0.2 -0.987 13.5 173.3-152.4 153.2 11.9 6.3 0.2 225 225 A A E -f 127 0A 14 -99,-0.7 -97,-2.0 -2,-0.3 2,-0.3 -0.972 42.9 -92.1-156.1 156.2 14.6 7.2 2.7 226 226 A V E -f 128 0A 69 -2,-0.3 -97,-0.2 -99,-0.2 -99,-0.0 -0.611 57.0-103.9 -70.2 126.0 16.5 10.2 3.9 227 227 A A - 0 0 16 -99,-2.8 -1,-0.1 -2,-0.3 -119,-0.1 -0.269 19.7-140.9 -55.1 136.5 19.8 10.4 1.8 228 228 A E S S+ 0 0 106 -121,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.486 83.4 18.9 -82.0 -4.5 22.8 9.2 3.8 229 229 A A S S- 0 0 28 -124,-0.1 2,-0.1 -122,-0.0 -1,-0.0 -0.972 99.1 -75.3-157.0 162.3 25.0 11.9 2.3 230 230 A N - 0 0 137 -2,-0.3 -122,-0.1 1,-0.1 -2,-0.1 -0.396 36.2-143.5 -64.8 135.4 24.6 15.3 0.5 231 231 A L - 0 0 17 -2,-0.1 -127,-0.1 -127,-0.1 3,-0.1 -0.902 25.1-130.1 -99.9 109.6 23.4 15.1 -3.1 232 232 A P - 0 0 38 0, 0.0 3,-0.1 0, 0.0 -129,-0.1 -0.246 27.8 -98.2 -61.4 149.9 25.3 17.9 -4.8 233 233 A P - 0 0 99 0, 0.0 -130,-0.1 0, 0.0 2,-0.1 -0.352 45.2-100.9 -66.8 149.4 23.2 20.2 -7.0 234 234 A G - 0 0 26 1,-0.1 2,-0.7 -133,-0.1 -133,-0.2 -0.384 34.5-107.4 -70.0 149.8 23.3 19.4 -10.7 235 235 A V + 0 0 3 -135,-2.9 -1,-0.1 1,-0.2 3,-0.1 -0.697 55.3 149.4 -80.1 114.1 25.5 21.5 -13.0 236 236 A D + 0 0 49 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.435 56.3 40.6-124.4 -4.2 23.1 23.7 -15.0 237 237 A T S >> S- 0 0 46 1,-0.1 4,-1.8 -219,-0.0 3,-0.6 -0.959 79.2-111.9-141.8 163.9 25.2 26.9 -15.6 238 238 A Q H 3> S+ 0 0 85 -2,-0.3 4,-2.5 1,-0.3 5,-0.1 0.849 120.2 58.4 -63.8 -32.4 28.8 27.9 -16.6 239 239 A A H 3> S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.853 103.4 53.2 -62.5 -35.6 29.1 29.4 -13.1 240 240 A D H <> S+ 0 0 29 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.919 108.9 48.3 -63.8 -46.7 28.3 25.8 -11.8 241 241 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.926 108.4 54.3 -58.9 -43.9 31.2 24.5 -13.9 242 242 A D H X S+ 0 0 78 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.872 105.3 54.3 -59.2 -36.6 33.5 27.2 -12.6 243 243 A R H < S+ 0 0 99 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.885 109.9 46.7 -63.9 -40.8 32.7 26.1 -9.1 244 244 A L H >< S+ 0 0 6 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.875 109.3 53.3 -69.0 -39.1 33.7 22.6 -10.0 245 245 A N H 3< S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 104.1 58.2 -67.6 -22.4 36.9 23.8 -11.6 246 246 A N T 3< S+ 0 0 141 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.513 94.8 83.8 -80.4 -10.9 37.7 25.6 -8.4 247 247 A M S < S- 0 0 57 -3,-1.3 -3,-0.0 -4,-0.2 0, 0.0 -0.580 98.8 -81.5 -89.2 159.2 37.5 22.3 -6.5 248 248 A P > - 0 0 78 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.304 30.7-131.5 -58.7 138.0 40.5 19.9 -6.2 249 249 A V G > S+ 0 0 45 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.779 105.5 72.9 -61.7 -24.1 40.8 17.6 -9.2 250 250 A E G > S+ 0 0 130 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.735 81.8 70.5 -60.7 -23.9 41.1 14.8 -6.6 251 251 A S G < S+ 0 0 53 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.671 104.5 39.2 -67.8 -20.7 37.3 15.2 -6.0 252 252 A F G < 0 0 9 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.395 360.0 360.0-105.2 -4.9 36.6 13.7 -9.5 253 253 A E < 0 0 158 -3,-0.6 -1,-0.1 -4,-0.5 -2,-0.1 -0.318 360.0 360.0-110.8 360.0 39.4 11.1 -9.2