==== 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 14-OCT-96 1UBX . COMPND 2 MOLECULE: FARNESYL DIPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.C.TARSHIS,P.PROTEAU,C.D.POULTER,J.C.SACCHETTINI . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 82.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 1 0.3 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.9 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 1 0 0 0 1 4 0 1 1 0 0 0 0 0 2 1 0 0 1 1 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL 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 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 20 A S > 0 0 76 0, 0.0 5,-0.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 159.8 27.8 20.7 86.2 2 21 A P T 5 + 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.058 360.0 34.9 -87.8 35.5 29.9 21.6 89.3 3 22 A V T >5S+ 0 0 62 3,-0.0 4,-1.9 0, 0.0 5,-0.1 0.348 113.8 37.5-147.4 -76.3 30.9 24.3 86.9 4 23 A V H >5S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.965 115.0 53.8 -58.3 -48.4 28.7 26.0 84.4 5 24 A V H >5S+ 0 0 57 -4,-0.3 4,-3.8 1,-0.3 -1,-0.2 0.880 108.2 50.0 -53.6 -44.0 25.6 26.0 86.6 6 25 A E H >X S+ 0 0 15 -4,-2.7 3,-3.4 2,-0.2 4,-2.4 0.980 109.4 61.3 -56.2 -50.7 25.2 31.1 85.8 9 28 A R H 3X S+ 0 0 76 -4,-3.8 4,-1.7 1,-0.3 -2,-0.3 0.804 111.7 39.3 -40.8 -38.4 24.7 31.0 89.6 10 29 A E H 3X S+ 0 0 133 -4,-3.8 4,-1.6 1,-0.2 -1,-0.3 0.592 107.2 59.1 -88.6 -19.0 27.1 33.8 89.7 11 30 A E H X S+ 0 0 2 -4,-2.4 3,-2.1 1,-0.2 4,-0.5 0.969 112.1 46.9 -57.3 -56.0 22.7 36.1 88.2 13 32 A V H >< S+ 0 0 87 -4,-1.7 3,-1.2 -5,-0.3 -1,-0.2 0.902 107.3 57.6 -52.0 -43.9 24.0 37.2 91.6 14 33 A G H 3< S+ 0 0 53 -4,-1.6 -1,-0.3 1,-0.2 4,-0.3 0.710 98.3 67.5 -62.4 -15.4 26.4 39.7 89.9 15 34 A F H XX S+ 0 0 20 -3,-2.1 4,-1.5 -4,-0.7 3,-1.2 0.775 74.1 87.3 -79.5 -20.8 23.2 41.2 88.4 16 35 A F H S+ 0 0 59 0, 0.0 4,-4.7 0, 0.0 -1,-0.3 0.769 107.8 57.5 -45.8 -36.1 23.0 46.1 91.9 18 37 A Q H <> S+ 0 0 57 -3,-1.2 4,-3.6 2,-0.3 -2,-0.2 0.975 108.3 41.5 -64.4 -55.0 22.0 46.6 88.4 19 38 A I H X S+ 0 0 0 -4,-1.5 4,-3.6 1,-0.2 -1,-0.2 0.951 115.8 54.8 -59.4 -40.2 18.4 45.9 89.1 20 39 A V H X S+ 0 0 8 -4,-4.1 4,-0.6 1,-0.2 -2,-0.3 0.946 110.5 41.7 -59.1 -46.1 19.0 47.9 92.1 21 40 A R H >X S+ 0 0 107 -4,-4.7 4,-2.8 1,-0.2 3,-1.3 0.889 113.0 56.3 -59.1 -45.7 20.3 50.9 90.1 22 41 A D H 3< S+ 0 0 24 -4,-3.6 4,-0.4 1,-0.2 -2,-0.2 0.975 107.5 50.7 -46.0 -57.4 17.5 50.2 87.6 23 42 A L H 3< S- 0 0 7 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.467 132.1 -1.6 -63.8 -10.5 15.0 50.6 90.4 24 43 A T H 4 S+ 0 0 18 2,-0.1 3,-2.1 10,-0.1 2,-0.9 0.877 85.8 84.1 -68.1 -48.2 14.5 58.2 92.0 28 47 A I T 3< S+ 0 0 77 -4,-2.7 6,-0.1 1,-0.3 -1,-0.1 -0.511 101.9 26.2 -56.3 93.6 17.4 59.0 94.6 29 48 A G T 3 S+ 0 0 63 -2,-0.9 -1,-0.3 1,-0.4 -2,-0.1 0.120 75.6 139.6 130.9 -26.5 17.4 62.8 94.2 30 49 A H <> - 0 0 84 -3,-2.1 4,-1.9 1,-0.2 -1,-0.4 -0.398 56.9-134.4 -59.5 114.1 13.8 63.7 93.0 31 50 A P T 4 S+ 0 0 126 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.225 99.3 36.5 -59.5 13.3 13.2 66.8 95.0 32 51 A E T 4 S+ 0 0 159 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.575 128.2 23.5-123.0 -58.1 9.7 65.3 95.9 33 52 A V T > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.375 87.1 112.0 -99.2 4.8 9.9 61.5 96.3 34 53 A G H X S+ 0 0 15 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.872 75.6 49.2 -44.7 -51.6 13.5 61.3 97.1 35 54 A D H > S+ 0 0 158 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.959 112.7 53.0 -54.8 -43.6 13.2 60.2 100.8 36 55 A A H > S+ 0 0 62 1,-0.2 4,-2.7 -4,-0.2 3,-0.3 0.947 108.6 44.8 -60.8 -52.7 10.8 57.6 99.5 37 56 A V H X S+ 0 0 25 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.806 109.7 57.9 -69.8 -20.6 13.0 56.1 96.9 38 57 A A H X S+ 0 0 46 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.3 0.931 106.8 46.1 -75.0 -39.8 15.9 56.0 99.2 39 58 A R H X S+ 0 0 71 -4,-2.6 4,-2.4 -3,-0.3 5,-0.3 0.970 106.8 62.2 -60.7 -48.5 14.1 54.0 101.7 40 59 A L H X S+ 0 0 18 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.844 98.4 58.0 -39.0 -46.0 13.1 51.8 98.8 41 60 A K H X S+ 0 0 94 -4,-1.8 4,-4.0 1,-0.2 -1,-0.2 0.970 109.3 39.7 -53.8 -57.6 16.7 51.0 98.2 42 61 A E H X S+ 0 0 96 -4,-1.4 4,-3.6 -3,-0.3 5,-0.4 0.868 112.4 55.5 -65.5 -33.1 17.3 49.6 101.6 43 62 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.984 114.2 44.7 -59.4 -46.1 14.0 47.8 101.7 44 63 A L H X S+ 0 0 1 -4,-3.5 4,-2.1 -5,-0.3 -2,-0.3 0.985 115.7 44.7 -60.5 -55.6 15.3 46.4 98.4 45 64 A Q H < S+ 0 0 104 -4,-4.0 -1,-0.2 1,-0.2 -2,-0.2 0.830 115.6 45.7 -63.8 -35.6 18.8 45.6 99.7 46 65 A Y H < S+ 0 0 49 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 0.857 122.0 34.3 -70.0 -42.0 17.8 44.1 103.0 47 66 A N H < S+ 0 0 21 -4,-2.2 -2,-0.2 -5,-0.4 -3,-0.2 0.887 108.6 48.3 -86.1 -43.7 15.1 41.9 101.6 48 67 A A S < S+ 0 0 1 -4,-2.1 3,-0.5 -5,-0.3 2,-0.2 0.816 97.1 61.8 -72.6 -40.8 15.7 40.5 98.1 49 68 A P S S+ 0 0 43 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.605 75.9 74.6 -88.1 148.9 19.1 39.0 98.1 50 69 A G + 0 0 56 1,-0.4 -2,-0.1 -2,-0.2 2,-0.1 0.268 67.2 88.3 138.9 -22.7 19.7 36.2 100.5 51 70 A G S S- 0 0 38 -3,-0.5 -1,-0.4 1,-0.0 200,-0.0 -0.009 93.6 -97.2 -82.0-159.3 18.1 33.0 99.2 52 71 A K - 0 0 131 -3,-0.1 -1,-0.0 -2,-0.1 -2,-0.0 0.737 47.3-133.9 -91.8 -20.7 20.0 30.6 96.9 53 72 A C > + 0 0 10 -41,-0.0 4,-3.0 3,-0.0 5,-0.3 0.490 60.1 140.2 82.6 3.3 18.2 32.3 93.9 54 73 A N H > + 0 0 45 2,-0.2 4,-1.4 1,-0.2 -45,-0.0 0.822 64.7 59.0 -51.6 -18.6 17.4 29.0 92.5 55 74 A R H >> S+ 0 0 59 2,-0.2 3,-1.4 1,-0.2 4,-0.8 0.991 111.2 37.9 -72.3 -61.1 14.0 30.2 91.5 56 75 A G H >> S+ 0 0 0 1,-0.3 3,-1.0 2,-0.2 4,-1.0 0.886 112.0 59.8 -51.6 -48.6 15.3 33.0 89.4 57 76 A L H 3X S+ 0 0 6 -4,-3.0 4,-3.0 1,-0.3 -1,-0.3 0.828 93.6 67.6 -48.9 -40.7 18.1 30.9 88.1 58 77 A T H X S+ 0 0 30 -4,-3.0 4,-1.8 -5,-0.2 3,-0.8 0.965 114.0 40.8 -63.1 -55.0 18.4 27.8 82.8 62 81 A A H 3X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.781 109.8 55.2 -56.2 -42.9 15.3 27.3 80.7 63 82 A Y H >X S+ 0 0 7 -4,-3.3 4,-3.0 -5,-0.3 3,-0.5 0.970 110.0 51.7 -60.2 -32.9 15.8 30.2 78.4 64 83 A R H << S+ 0 0 102 -4,-2.0 -1,-0.2 -3,-0.8 -2,-0.2 0.896 111.4 43.1 -67.4 -46.6 19.1 28.6 77.7 65 84 A E H 3< S+ 0 0 75 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.696 122.0 43.2 -68.8 -23.4 17.8 25.3 76.9 66 85 A L H << S+ 0 0 27 -4,-1.8 -2,-0.2 -3,-0.5 -3,-0.2 0.802 91.2 80.9 -95.9 -35.0 15.0 26.8 74.9 67 86 A S S < S- 0 0 11 -4,-3.0 5,-0.1 -5,-0.2 145,-0.1 -0.299 70.4-127.0 -65.8 171.4 16.3 29.7 72.6 68 87 A G > - 0 0 23 144,-0.1 3,-2.2 -2,-0.0 -1,-0.1 -0.705 37.1 -87.2-118.0 163.8 18.0 29.0 69.3 69 88 A P G > S+ 0 0 128 0, 0.0 3,-0.7 0, 0.0 -2,-0.0 0.715 129.8 55.8 -46.0 -22.7 21.5 30.3 68.1 70 89 A G G 3 S+ 0 0 66 1,-0.2 3,-0.4 2,-0.1 2,-0.1 0.876 106.0 49.2 -73.1 -43.5 19.7 33.4 66.9 71 90 A Q G < S+ 0 0 77 -3,-2.2 -1,-0.2 1,-0.2 -4,-0.1 -0.190 84.7 91.0 -92.3 35.7 18.2 34.2 70.3 72 91 A K < + 0 0 82 -3,-0.7 2,-0.3 -2,-0.1 -1,-0.2 0.038 54.3 138.3-110.9 13.8 21.4 33.9 72.4 73 92 A D >> - 0 0 68 -3,-0.4 4,-2.2 1,-0.1 3,-1.3 -0.517 67.4-115.9 -65.6 138.4 22.4 37.5 72.1 74 93 A A H 3> S+ 0 0 70 1,-0.3 4,-3.2 -2,-0.3 5,-0.2 0.811 119.7 56.6 -23.2 -57.8 23.8 39.3 75.2 75 94 A E H 3> S+ 0 0 109 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.955 108.6 43.8 -53.3 -50.3 20.7 41.4 74.9 76 95 A S H <> S+ 0 0 11 -3,-1.3 4,-1.3 2,-0.2 3,-0.4 0.939 111.8 54.9 -59.4 -44.5 18.4 38.4 75.1 77 96 A L H >X S+ 0 0 64 -4,-2.2 4,-2.4 1,-0.2 3,-0.6 0.931 100.9 59.5 -56.6 -40.2 20.5 36.9 77.9 78 97 A R H 3X S+ 0 0 120 -4,-3.2 4,-3.2 1,-0.3 -1,-0.2 0.838 106.4 45.6 -51.1 -49.2 20.1 40.0 80.0 79 98 A C H 3X S+ 0 0 8 -4,-1.2 4,-3.6 -3,-0.4 5,-0.3 0.722 104.8 59.4 -65.0 -44.3 16.3 39.9 80.1 80 99 A A H X S+ 0 0 0 -4,-3.2 4,-1.8 2,-0.2 3,-1.5 0.985 108.0 52.2 -49.9 -67.0 16.0 40.5 84.4 83 102 A V H 3X S+ 0 0 0 -4,-3.6 4,-0.6 1,-0.3 -1,-0.2 0.867 108.3 59.2 -50.2 -15.5 12.9 38.4 84.3 84 103 A G H >X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 3,-1.0 0.865 100.4 47.4 -76.4 -52.6 14.7 36.3 86.8 85 104 A W H X S+ 0 0 8 -4,-3.5 4,-1.0 -3,-0.5 3,-0.9 0.982 112.6 46.0 -60.9 -55.2 8.1 40.1 103.8 97 116 A A H 3X S+ 0 0 23 -4,-2.5 4,-1.3 1,-0.3 -2,-0.3 0.708 107.4 53.9 -46.7 -58.7 4.3 39.9 104.1 98 117 A D H >X S+ 0 0 39 -4,-1.8 4,-2.3 2,-0.2 3,-0.6 0.926 101.6 62.3 -50.1 -44.7 4.1 36.4 105.5 99 118 A D H S+ 0 0 6 -4,-2.1 5,-1.5 -3,-0.9 4,-1.4 0.927 104.5 44.8 -47.8 -53.2 6.4 37.4 108.3 100 119 A I H 3<5S+ 0 0 25 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.765 114.9 47.6 -53.2 -44.7 4.1 40.1 109.7 101 120 A M H <<5S+ 0 0 106 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.728 116.9 43.3 -77.4 -27.4 1.0 37.9 109.5 102 121 A D H <5S- 0 0 86 -4,-2.3 -2,-0.2 -3,-0.4 -1,-0.2 0.564 101.4-135.2 -95.3 -4.3 2.8 35.0 111.1 103 122 A Q T <5 + 0 0 124 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.844 44.0 167.3 59.2 30.1 4.5 37.3 113.7 104 123 A S < - 0 0 40 -5,-1.5 -1,-0.1 -6,-0.2 3,-0.1 -0.184 32.7-153.1 -67.1 178.7 7.9 35.5 113.1 105 124 A L + 0 0 97 1,-0.3 7,-1.3 6,-0.1 2,-0.4 0.518 68.7 44.9-128.0 -37.5 11.1 36.9 114.4 106 125 A T E +A 111 0A 92 5,-0.2 2,-0.4 -7,-0.1 -1,-0.3 -0.967 51.8 176.1-132.2 151.2 13.6 35.6 112.0 107 126 A R E > -A 110 0A 75 3,-4.0 3,-3.8 -2,-0.4 0, 0.0 -0.983 67.4 -19.1-147.3 146.5 14.2 35.1 108.3 108 127 A R T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.917 129.1 -44.8 22.5 46.0 16.9 33.9 106.1 109 128 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.373 125.5 66.1 93.9 -10.4 19.4 34.4 108.8 110 129 A Q E < S-A 107 0A 83 -3,-3.8 -3,-4.0 0, 0.0 2,-0.3 -0.844 89.1 -69.4-136.6-175.8 18.4 37.7 110.1 111 130 A L E -A 106 0A 74 -2,-0.3 -5,-0.2 -5,-0.2 5,-0.1 -0.537 58.8 -95.3 -77.0 132.9 15.7 39.6 111.8 112 131 A C > - 0 0 2 -7,-1.3 4,-1.0 -2,-0.3 3,-0.3 0.105 27.2-123.5 -42.0 147.8 12.4 40.3 110.0 113 132 A W T >4 S+ 0 0 6 1,-0.2 3,-1.8 2,-0.2 7,-0.5 0.988 113.2 54.0 -67.5 -44.2 12.1 43.6 108.2 114 133 A Y T 34 S+ 0 0 17 1,-0.3 6,-1.4 5,-0.2 -1,-0.2 0.823 104.2 58.5 -55.9 -26.9 9.0 44.4 110.2 115 134 A K T 34 S+ 0 0 75 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.2 0.670 73.8 105.0 -74.7 -33.1 10.9 43.8 113.4 116 135 A K S XX S- 0 0 75 -3,-1.8 3,-1.5 -4,-1.0 4,-1.3 -0.440 86.3-113.8 -51.7 113.7 13.6 46.3 112.7 117 136 A E T 34 S+ 0 0 138 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 -0.298 104.0 37.5 -34.1 152.5 12.5 49.1 115.2 118 137 A G T 34 S+ 0 0 76 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.095 115.6 62.0 89.9 -25.6 11.4 52.2 113.3 119 138 A V T X4 + 0 0 17 -3,-1.5 3,-1.4 -6,-0.2 2,-0.5 0.854 62.7 129.0-100.7 -83.1 9.8 50.0 110.7 120 139 A G G >< S+ 0 0 28 -6,-1.4 3,-0.6 -4,-1.3 -4,-0.1 -0.500 85.0 2.4 66.7-127.9 7.1 47.9 112.3 121 140 A L G > S+ 0 0 107 -2,-0.5 3,-2.1 1,-0.2 4,-0.3 0.600 113.4 82.7 -72.1 -20.2 3.8 48.0 110.5 122 141 A D G <> S+ 0 0 86 -3,-1.4 4,-1.2 1,-0.3 -1,-0.2 0.507 72.0 82.9 -54.5 -17.7 5.1 50.2 107.7 123 142 A A H X> S+ 0 0 1 -3,-0.6 4,-3.4 2,-0.2 3,-0.8 0.916 73.9 71.4 -64.7 -25.4 6.4 47.0 106.3 124 143 A I H <> S+ 0 0 84 -3,-2.1 4,-1.3 1,-0.3 -1,-0.2 0.949 104.9 39.2 -54.7 -44.7 2.9 46.5 104.8 125 144 A N H 3> S+ 0 0 100 -4,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.764 110.1 58.7 -68.5 -31.7 3.6 49.2 102.4 126 145 A D H X S+ 0 0 0 -4,-1.0 4,-1.4 -3,-0.3 3,-0.5 0.947 106.2 53.7 -71.6 -42.0 8.6 45.3 96.3 131 150 A E H 3X S+ 0 0 63 -4,-1.9 4,-0.8 1,-0.3 3,-0.5 0.868 108.8 47.5 -51.7 -54.0 5.5 44.1 94.4 132 151 A S H >X S+ 0 0 55 -4,-1.4 4,-1.8 1,-0.2 3,-1.1 0.897 98.6 69.5 -54.5 -43.3 5.7 47.1 92.2 133 152 A S H XX S+ 0 0 3 -4,-1.3 4,-2.0 -3,-0.5 3,-0.8 0.935 92.9 60.2 -48.6 -30.0 9.3 46.6 91.7 134 153 A V H 3X S+ 0 0 1 -4,-1.4 4,-1.5 -3,-0.5 -1,-0.3 0.827 107.4 40.7 -66.6 -43.1 8.5 43.6 89.7 135 154 A Y H S+ 0 0 1 -4,-1.5 4,-2.5 -5,-0.2 5,-0.6 0.857 111.4 53.2 -59.7 -32.9 9.7 43.9 83.3 139 158 A K H X5S+ 0 0 111 -4,-0.8 4,-1.3 1,-0.2 -2,-0.2 0.971 110.6 46.3 -72.6 -39.1 8.5 47.2 81.9 140 159 A K H <5S+ 0 0 122 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 123.5 30.7 -66.2 -40.6 12.0 48.4 81.5 141 160 A Y H <5S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.677 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0 111 -3,-2.6 2,-0.3 2,-0.1 -2,-0.1 -0.343 101.9 96.9-131.9 33.1 -2.5 6.4 111.0 273 292 A V - 0 0 30 -5,-0.1 -3,-0.0 4,-0.1 30,-0.0 -0.883 59.6-155.7-123.8 165.6 -3.7 7.5 114.3 274 293 A T > - 0 0 46 -2,-0.3 4,-3.5 -3,-0.0 5,-0.3 -0.749 46.7 -85.7-129.6 174.9 -6.3 6.4 116.9 275 294 A P H > S+ 0 0 90 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.817 124.6 59.7 -59.4 -22.1 -8.2 8.4 119.6 276 295 A E H >> S+ 0 0 132 2,-0.2 4,-1.8 1,-0.1 3,-1.0 0.994 118.3 22.4 -71.0 -66.7 -5.2 7.7 121.8 277 296 A Q H 3>>S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 5,-0.6 0.951 111.7 75.8 -60.2 -41.3 -2.4 9.3 119.9 278 297 A R H 3X5S+ 0 0 71 -4,-3.5 4,-1.4 1,-0.3 -1,-0.2 0.773 107.2 33.4 -41.6 -35.6 -4.9 11.5 118.1 279 298 A Q H X5S+ 0 0 39 -4,-1.8 4,-2.2 2,-0.2 3,-1.1 0.960 118.2 24.4 -51.3 -67.0 -1.5 13.0 122.2 281 300 A L H 3X5S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.3 -2,-0.2 0.901 116.8 61.2 -72.5 -39.5 -0.4 14.9 119.2 282 301 A E H 3<< S+ 0 0 33 -4,-2.2 3,-0.6 -5,-0.2 12,-0.2 0.259 98.2 100.7 -75.6 5.6 1.3 18.8 122.3 285 304 A Y T 3< S+ 0 0 11 -4,-1.7 -25,-0.2 1,-0.2 8,-0.1 -0.154 77.4 28.7 -76.8-179.7 1.4 20.0 118.6 286 305 A G T 3 S+ 0 0 15 -27,-0.3 2,-0.4 -29,-0.3 -26,-0.4 0.589 104.1 108.4 44.1 8.0 1.6 23.7 117.6 287 306 A R < - 0 0 140 -3,-0.6 2,-1.1 -28,-0.2 6,-0.3 -0.969 66.6-140.7-125.6 132.9 3.3 24.2 121.0 288 307 A K + 0 0 128 -2,-0.4 -3,-0.1 -30,-0.2 -30,-0.0 -0.629 54.9 121.5 -90.9 77.0 6.9 24.9 121.8 289 308 A E > - 0 0 86 -2,-1.1 4,-1.5 -5,-0.2 5,-0.3 -0.941 62.8-131.0-141.0 104.7 7.8 22.8 124.9 290 309 A P T 4 S+ 0 0 95 0, 0.0 4,-0.3 0, 0.0 -1,-0.0 0.614 106.6 52.2 -21.3 -35.4 10.7 20.4 124.5 291 310 A E T 4 S+ 0 0 150 2,-0.1 5,-0.2 3,-0.1 -7,-0.0 0.914 119.1 34.4 -71.1 -70.1 8.6 17.6 126.0 292 311 A K T >> S+ 0 0 57 2,-0.2 3,-5.0 1,-0.2 4,-2.6 0.865 122.2 43.3 -34.5 -81.1 5.8 18.1 123.7 293 312 A V H >X S+ 0 0 34 -4,-1.5 4,-1.7 1,-0.3 3,-0.6 0.949 120.9 43.2 -37.8 -55.9 7.6 19.1 120.5 294 313 A A H 34 S+ 0 0 60 -4,-0.3 4,-0.4 -5,-0.3 -1,-0.3 0.402 116.4 52.4 -71.9 2.2 10.1 16.5 121.2 295 314 A K H <> S+ 0 0 58 -3,-5.0 4,-1.2 -11,-0.2 -1,-0.3 0.699 100.2 54.7-108.9 -37.2 7.2 14.2 122.0 296 315 A V H S+ 0 0 112 -4,-0.4 4,-2.4 1,-0.3 -2,-0.2 0.726 105.7 49.6 -41.3 -51.0 7.8 10.3 119.0 299 318 A L H X S+ 0 0 1 -4,-1.2 4,-2.7 2,-0.3 5,-0.3 0.987 110.2 50.2 -57.8 -52.5 4.3 9.8 117.9 300 319 A Y H X>S+ 0 0 3 -4,-2.4 4,-2.1 -3,-0.4 5,-1.7 0.816 118.8 40.6 -49.0 -36.4 5.4 10.4 114.1 301 320 A E H <5S+ 0 0 104 -4,-1.9 -1,-0.3 3,-0.2 -2,-0.3 0.743 110.7 57.3 -81.8 -34.9 8.0 7.9 115.0 302 321 A A H <5S+ 0 0 71 -4,-2.4 -2,-0.3 -5,-0.4 -3,-0.2 0.692 116.0 36.3 -71.7 -24.4 5.3 6.0 116.9 303 322 A V H <5S- 0 0 45 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.844 119.4-112.4 -98.0 -30.5 3.4 5.8 113.7 304 323 A G T >X5 - 0 0 30 -4,-2.1 3,-1.1 -5,-0.3 4,-0.8 0.807 38.1-178.1 104.7 66.6 6.5 5.5 111.4 305 324 A M H 3> S+ 0 0 90 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.588 99.2 67.1 -62.6 -9.3 10.1 7.7 107.0 307 326 A A H <> S+ 0 0 48 -3,-1.1 4,-3.0 2,-0.2 5,-0.4 0.991 105.1 34.7 -67.9 -70.7 8.0 4.8 105.7 308 327 A A H < S+ 0 0 25 -4,-0.8 4,-0.4 1,-0.3 -2,-0.2 0.882 115.7 60.1 -54.3 -34.7 5.3 6.7 103.9 309 328 A F H >X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 3,-0.7 0.966 110.9 42.2 -59.8 -38.3 8.0 9.2 103.1 310 329 A Q H 3X S+ 0 0 41 -4,-1.3 4,-3.2 1,-0.3 5,-0.3 0.996 113.3 46.3 -72.0 -50.5 9.6 6.3 101.4 311 330 A Q H 3< S+ 0 0 120 -4,-3.0 -1,-0.3 2,-0.2 -2,-0.2 0.471 118.7 52.4 -69.1 2.9 6.6 4.8 99.8 312 331 A Y H X> S+ 0 0 26 -3,-0.7 3,-1.8 -5,-0.4 4,-1.7 0.737 111.1 36.6 -96.9 -80.1 6.1 8.4 98.8 313 332 A E H 3X S+ 0 0 18 -4,-2.3 4,-1.2 1,-0.3 5,-0.3 0.762 116.8 59.1 -41.0 -28.9 9.3 9.6 97.3 314 333 A E H 3X S+ 0 0 132 -4,-3.2 4,-0.9 -5,-0.5 -1,-0.3 0.931 108.4 43.4 -65.2 -44.9 9.4 6.1 95.8 315 334 A S H <> S+ 0 0 56 -3,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.740 111.3 55.8 -70.5 -34.1 6.1 6.6 94.0 316 335 A S H X S+ 0 0 2 -4,-1.7 4,-4.4 2,-0.2 -2,-0.2 0.989 98.1 52.0 -69.9 -62.0 6.8 10.1 92.8 317 336 A Y H X S+ 0 0 116 -4,-1.2 4,-2.0 1,-0.2 -1,-0.1 0.911 115.8 50.6 -48.1 -32.4 10.0 9.9 90.8 318 337 A R H X S+ 0 0 204 -4,-0.9 4,-1.4 -5,-0.3 -2,-0.2 0.984 112.2 41.6 -58.6 -75.1 8.1 7.2 89.1 319 338 A R H X S+ 0 0 110 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.868 114.1 58.0 -41.3 -45.0 4.9 9.2 88.5 320 339 A L H X S+ 0 0 0 -4,-4.4 4,-1.7 2,-0.2 3,-0.3 0.920 101.7 49.5 -54.1 -69.6 7.1 12.1 87.5 321 340 A Q H >X S+ 0 0 52 -4,-2.0 3,-2.4 1,-0.2 4,-1.8 0.762 111.8 50.0 -38.9 -52.3 8.9 10.4 84.7 322 341 A E H 3< S+ 0 0 126 -4,-1.4 3,-0.5 1,-0.3 5,-0.3 0.846 105.6 54.9 -45.7 -60.7 5.7 9.2 83.1 323 342 A L H >< S+ 0 0 30 -4,-2.3 3,-0.8 1,-0.3 -1,-0.3 0.790 108.5 53.2 -41.7 -31.0 4.2 12.6 83.3 324 343 A I H XX S+ 0 0 4 -3,-2.4 4,-2.6 -4,-1.7 3,-1.7 0.955 104.3 51.6 -75.8 -53.0 7.3 13.7 81.4 325 344 A E T 3< S+ 0 0 111 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 -0.177 116.9 39.9 -81.4 52.8 6.9 11.1 78.7 326 345 A K T <4 S+ 0 0 156 -2,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.068 124.0 37.8-162.3 -5.0 3.3 12.2 78.0 327 346 A H T <4 S+ 0 0 38 -3,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.431 96.9 81.9-134.4 -11.4 3.8 15.8 78.4 328 347 A S < + 0 0 8 -4,-2.6 2,-0.9 -5,-0.1 3,-0.3 0.038 50.9 116.0 -96.6 37.6 7.2 16.2 76.8 329 348 A N S S+ 0 0 108 1,-0.2 -107,-0.1 3,-0.1 -1,-0.1 -0.809 89.0 16.7-105.1 91.2 6.4 16.4 73.1 330 349 A R S S+ 0 0 138 -2,-0.9 -1,-0.2 1,-0.1 -2,-0.1 0.170 114.5 75.0 134.6 -7.1 7.5 19.9 72.1 331 350 A L S S- 0 0 7 -3,-0.3 -1,-0.1 -109,-0.0 -4,-0.1 -0.970 88.2-104.6-136.8 123.7 9.7 20.9 75.0 332 351 A P >> - 0 0 42 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.067 19.1-147.8 -43.1 116.8 13.2 19.6 75.7 333 352 A K H >> S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 3,-0.6 0.796 89.4 84.0 -60.7 -24.9 13.1 17.1 78.5 334 353 A E H 3> S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.819 88.3 57.9 -48.6 -30.1 16.5 18.3 79.5 335 354 A I H <> S+ 0 0 13 -3,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.915 106.9 39.9 -62.6 -54.6 14.5 20.9 81.4 336 355 A F H X S+ 0 0 12 -4,-1.4 3,-1.2 2,-0.2 4,-0.6 0.934 114.1 49.2 -68.5 -42.2 14.9 20.3 87.9 340 359 A A H >X S+ 0 0 7 -4,-1.8 3,-2.9 1,-0.3 4,-2.1 0.947 103.5 57.5 -51.8 -72.4 14.7 16.6 88.8 341 360 A Q H 3< S+ 0 0 132 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.457 120.5 32.1 -41.0 -12.9 18.5 16.1 89.1 342 361 A K H <4 S+ 0 0 95 -3,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.335 120.6 46.7-134.2 8.9 18.5 18.9 91.8 343 362 A I H << S+ 0 0 11 -3,-2.9 2,-1.0 -4,-0.6 3,-0.3 0.779 97.2 64.3-118.4 -38.6 15.1 18.5 93.4 344 363 A Y < + 0 0 26 -4,-2.1 -1,-0.2 -5,-0.2 -110,-0.0 -0.673 63.8 107.8 -86.0 93.3 14.6 14.8 94.2 345 364 A K - 0 0 160 -2,-1.0 -1,-0.2 -3,-0.1 -2,-0.1 0.802 44.4-179.9-125.9 -46.9 17.2 13.6 96.8 346 365 A R - 0 0 103 -3,-0.3 2,-0.2 1,-0.1 -2,-0.0 0.356 31.5-108.3 59.4 173.0 15.8 13.0 100.2 347 366 A Q 0 0 29 -102,-0.0 -1,-0.1 -103,-0.0 -101,-0.0 -0.682 360.0 360.0-139.1 83.0 17.4 11.9 103.6 348 367 A K 0 0 94 -2,-0.2 -38,-0.1 -103,-0.1 -103,-0.1 -0.005 360.0 360.0 61.9 360.0 16.4 8.3 104.5