==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-DEC-06 2O8I . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ATU2327; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR C.CHANG,X.XU,J.GU,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MIDWE . 155 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 73.5 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 . 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 . 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 . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 56.8 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 0 0 0 1 2 1 0 1 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 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 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 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 1 A X 0 0 234 0, 0.0 2,-0.9 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 134.0 17.7 81.6 41.2 2 2 A V - 0 0 22 29,-0.4 29,-0.1 4,-0.1 30,-0.0 -0.710 360.0-150.6 -88.6 108.4 20.8 81.0 39.0 3 3 A T > - 0 0 75 -2,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.190 24.7-111.2 -67.4 167.6 23.5 83.5 40.0 4 4 A R H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.896 116.6 53.6 -64.1 -42.5 26.1 84.6 37.4 5 5 A E H > S+ 0 0 160 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.885 112.1 45.6 -64.9 -38.5 28.9 82.8 39.0 6 6 A E H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.947 111.1 49.9 -75.8 -48.7 27.0 79.6 38.9 7 7 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.899 114.2 45.5 -51.6 -44.7 25.8 79.9 35.3 8 8 A V H X S+ 0 0 22 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.842 113.4 50.8 -73.6 -25.9 29.3 80.6 34.0 9 9 A A H < S+ 0 0 71 -4,-1.3 4,-0.4 -5,-0.3 -2,-0.2 0.991 115.1 43.9 -75.3 -61.4 30.6 77.8 36.1 10 10 A R H < S+ 0 0 106 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.678 131.2 17.6 34.4 -90.4 28.1 75.6 34.8 11 11 A F H >< S+ 0 0 3 -4,-2.5 3,-1.2 -5,-0.2 4,-0.5 0.329 93.1 100.0-123.8 1.3 28.1 76.4 31.2 12 12 A G T 3< S+ 0 0 8 -4,-1.9 6,-0.5 -5,-0.3 3,-0.3 0.796 88.6 46.0 -55.3 -32.6 31.5 78.2 30.8 13 13 A G T 3 S+ 0 0 43 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.398 82.0 92.7 -91.3 -2.9 33.1 75.0 29.4 14 14 A V S < S+ 0 0 5 -3,-1.2 2,-0.7 1,-0.3 -1,-0.2 0.901 96.1 41.4 -65.0 -38.2 30.4 74.0 27.0 15 15 A F S > S- 0 0 2 -4,-0.5 3,-2.4 -3,-0.3 -1,-0.3 -0.971 121.6-108.3 -99.1 112.2 32.4 75.9 24.4 16 16 A E T 3 S- 0 0 48 -2,-0.7 46,-0.1 1,-0.3 -3,-0.1 -0.097 88.5 -10.5 -52.7 134.7 35.7 74.7 25.5 17 17 A H T 3 S+ 0 0 143 1,-0.1 -1,-0.3 -4,-0.1 3,-0.2 0.674 107.4 114.3 48.7 22.8 37.9 77.3 27.3 18 18 A S X> + 0 0 5 -3,-2.4 3,-1.9 -6,-0.5 4,-0.7 -0.376 23.5 152.6-120.1 57.3 35.3 79.9 26.2 19 19 A P H >> + 0 0 61 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.817 67.0 74.0 -56.3 -27.5 33.6 81.3 29.4 20 20 A F H 3> S+ 0 0 54 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.833 89.5 59.8 -56.1 -33.0 32.9 84.6 27.6 21 21 A I H <> S+ 0 0 2 -3,-1.9 4,-2.0 -9,-0.2 -1,-0.3 0.941 110.6 40.7 -55.0 -45.7 30.2 82.7 25.6 22 22 A A H S+ 0 0 2 -4,-2.0 5,-1.6 -5,-0.3 -1,-0.2 0.866 107.5 52.3 -56.3 -35.3 24.6 84.7 27.5 26 26 A Y H ><5S+ 0 0 51 -4,-1.7 3,-1.6 1,-0.2 5,-0.5 0.912 107.5 49.9 -69.8 -40.4 24.1 85.5 31.2 27 27 A D H 3<5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.698 103.8 61.3 -70.9 -18.4 23.9 89.3 30.4 28 28 A A T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.373 136.9 -81.9 -84.8 3.6 21.3 88.5 27.7 29 29 A G T X 5S+ 0 0 45 -3,-1.6 3,-2.5 -5,-0.1 4,-0.3 0.663 73.4 156.5 107.0 20.9 19.0 87.0 30.4 30 30 A G G > < + 0 0 2 -5,-1.6 3,-2.5 1,-0.3 -4,-0.2 0.832 68.1 65.3 -41.0 -45.6 20.4 83.5 30.9 31 31 A A G 3 S+ 0 0 44 -5,-0.5 -29,-0.4 1,-0.3 -1,-0.3 0.582 96.6 57.5 -61.0 -11.6 19.0 83.2 34.4 32 32 A G G < S+ 0 0 74 -3,-2.5 -1,-0.3 -31,-0.1 -2,-0.2 0.438 85.1 111.5 -96.6 -4.4 15.5 83.3 33.0 33 33 A L S < S- 0 0 52 -3,-2.5 2,-0.3 -4,-0.3 -4,-0.0 -0.398 77.4-114.8 -66.1 141.2 16.1 80.3 30.7 34 34 A E - 0 0 145 -2,-0.1 2,-2.0 1,-0.1 6,-0.3 -0.612 37.7-116.9 -60.0 134.6 14.4 77.0 31.3 35 35 A L S S+ 0 0 58 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.543 71.8 122.9 -87.3 78.7 17.3 74.7 32.2 36 36 A T S > S- 0 0 15 -2,-2.0 4,-2.6 117,-0.2 5,-0.4 -0.918 74.6-114.8-128.7 155.4 17.0 72.3 29.3 37 37 A A H > S+ 0 0 0 117,-2.7 4,-2.5 -2,-0.3 5,-0.3 0.925 116.7 51.9 -57.1 -45.1 19.6 71.5 26.7 38 38 A K H > S+ 0 0 132 117,-2.7 4,-2.4 116,-0.2 -1,-0.2 0.949 114.4 41.3 -55.6 -54.5 17.4 73.1 24.0 39 39 A A H > S+ 0 0 26 116,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.970 119.4 42.1 -59.0 -57.2 17.0 76.4 25.8 40 40 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 -6,-0.3 5,-0.2 0.883 115.2 51.2 -64.8 -37.4 20.6 76.7 27.1 41 41 A H H X S+ 0 0 36 -4,-2.5 4,-3.0 -5,-0.4 5,-0.3 0.909 108.4 50.8 -63.8 -42.8 22.0 75.6 23.7 42 42 A G H X S+ 0 0 42 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.919 113.6 47.0 -58.9 -41.8 19.9 78.1 21.8 43 43 A A H X S+ 0 0 22 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.910 114.6 44.6 -69.5 -44.6 21.2 80.8 24.2 44 44 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 3,-0.2 0.929 112.8 50.5 -67.2 -46.3 24.9 79.8 24.0 45 45 A C H X S+ 0 0 5 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.897 103.9 61.7 -56.6 -40.5 24.8 79.4 20.2 46 46 A A H X S+ 0 0 50 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.920 107.9 41.8 -53.0 -47.3 23.3 82.8 19.9 47 47 A Q H X S+ 0 0 29 -4,-1.4 4,-0.8 -3,-0.2 -1,-0.2 0.844 113.4 53.4 -68.2 -33.5 26.4 84.3 21.6 48 48 A F H < S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.879 109.5 49.4 -68.4 -36.7 28.7 82.1 19.5 49 49 A R H < S+ 0 0 156 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.749 113.2 45.1 -72.4 -22.9 27.0 83.3 16.3 50 50 A V H < S+ 0 0 117 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.456 88.4 107.0-105.3 -3.8 27.2 87.0 17.2 51 51 A A S < S- 0 0 7 -4,-0.8 -3,-0.0 -3,-0.4 -30,-0.0 -0.273 83.8 -88.1 -70.2 159.5 30.9 87.0 18.4 52 52 A S > - 0 0 56 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.209 36.3-110.6 -66.1 162.0 33.5 88.5 16.2 53 53 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 122.2 54.3 -60.1 -38.0 35.2 86.3 13.5 54 54 A A H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 108.8 48.5 -56.1 -45.0 38.4 86.6 15.6 55 55 A E H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.932 111.1 48.3 -65.6 -45.6 36.5 85.3 18.7 56 56 A R H X S+ 0 0 27 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.895 110.1 52.9 -58.3 -40.7 34.9 82.4 16.8 57 57 A L H X S+ 0 0 45 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.888 106.2 54.6 -62.8 -37.6 38.4 81.6 15.5 58 58 A G H X S+ 0 0 39 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.840 105.5 52.5 -60.7 -35.0 39.6 81.6 19.1 59 59 A V H X S+ 0 0 1 -4,-1.5 4,-1.1 2,-0.2 3,-0.3 0.928 109.0 49.0 -71.1 -42.3 36.9 79.0 20.0 60 60 A L H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.916 111.4 49.7 -61.0 -44.4 38.0 76.7 17.3 61 61 A R H 3< S+ 0 0 144 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.749 109.2 51.2 -69.3 -25.2 41.6 76.9 18.3 62 62 A A H 3< S+ 0 0 33 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.688 85.9 108.1 -84.5 -19.8 40.8 76.2 22.0 63 63 A H S << S- 0 0 8 -4,-1.1 2,-0.0 -3,-0.5 -48,-0.0 -0.270 76.8-110.1 -62.0 136.5 38.8 73.1 21.2 64 64 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.384 29.8-116.0 -68.3 149.5 40.5 69.8 22.1 65 65 A D > - 0 0 60 42,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.350 31.2-101.3 -76.8 162.2 41.7 67.4 19.4 66 66 A L H > S+ 0 0 9 40,-0.4 4,-2.7 1,-0.2 3,-0.5 0.912 119.7 53.0 -52.8 -49.8 40.3 64.0 18.9 67 67 A A H > S+ 0 0 21 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.910 108.1 53.4 -55.9 -39.7 43.1 62.1 20.7 68 68 A G H > S+ 0 0 24 -3,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.839 109.3 47.8 -62.6 -35.4 42.6 64.3 23.7 69 69 A K H X S+ 0 0 52 -4,-1.6 4,-2.4 -3,-0.5 -2,-0.2 0.923 111.1 50.8 -71.8 -41.4 38.9 63.5 23.8 70 70 A L H X S+ 0 0 23 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.900 108.9 52.0 -62.5 -39.7 39.6 59.8 23.5 71 71 A A H X S+ 0 0 62 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.896 107.4 50.9 -66.0 -39.4 42.1 59.9 26.3 72 72 A I H >< S+ 0 0 99 -4,-1.6 3,-0.9 2,-0.2 4,-0.5 0.939 110.5 50.3 -62.8 -40.4 39.6 61.6 28.6 73 73 A A H >X S+ 0 0 51 -4,-2.4 4,-2.6 1,-0.2 3,-2.3 0.940 102.7 60.6 -59.0 -48.4 37.1 58.9 27.7 74 74 A G H 3< S+ 0 0 65 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.699 98.6 60.0 -49.6 -23.2 39.8 56.2 28.6 75 75 A E T << S+ 0 0 145 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.677 117.9 26.5 -75.9 -22.3 39.8 57.7 32.1 76 76 A L T <4 0 0 136 -3,-2.3 -2,-0.2 -4,-0.5 -3,-0.1 0.789 360.0 360.0-110.1 -37.6 36.2 56.9 32.7 77 77 A T < 0 0 126 -4,-2.6 -3,-0.1 4,-0.0 -2,-0.0 0.946 360.0 360.0 -68.0 360.0 35.1 53.9 30.4 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 88 A G > 0 0 64 0, 0.0 3,-0.9 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 46.1 34.0 51.3 18.2 80 89 A L T 3 + 0 0 22 33,-0.4 3,-0.5 1,-0.2 34,-0.1 0.606 360.0 64.0 -74.4 -10.8 36.0 54.4 19.2 81 90 A D T 3 S+ 0 0 131 1,-0.2 -1,-0.2 -8,-0.0 -4,-0.0 0.578 99.8 52.0 -84.1 -12.5 36.6 52.8 22.5 82 91 A R S < S+ 0 0 223 -3,-0.9 -1,-0.2 2,-0.0 -2,-0.1 -0.105 78.3 150.6-117.9 35.5 38.6 49.8 21.0 83 92 A L - 0 0 19 -3,-0.5 -3,-0.1 1,-0.1 3,-0.0 -0.389 44.4-113.4 -74.8 146.5 41.2 51.7 19.0 84 93 A S > - 0 0 44 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.277 21.8-118.3 -58.6 152.2 44.7 50.4 18.2 85 94 A P H > S+ 0 0 116 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.942 125.2 49.7 -49.2 -44.9 47.9 52.1 19.5 86 95 A Q H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.850 109.4 48.2 -61.2 -43.6 48.4 52.5 15.7 87 96 A E H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 109.8 52.2 -68.3 -43.4 44.8 54.0 15.1 88 97 A H H X S+ 0 0 71 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.946 110.6 50.0 -47.5 -51.1 45.3 56.4 18.0 89 98 A A H X S+ 0 0 53 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.869 106.3 54.2 -60.1 -38.7 48.6 57.4 16.4 90 99 A R H X S+ 0 0 116 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.925 106.4 52.8 -63.4 -41.9 46.9 57.9 13.0 91 100 A F H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.942 109.3 49.0 -58.2 -47.1 44.3 60.3 14.6 92 101 A T H X S+ 0 0 70 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.917 113.6 46.7 -53.9 -48.3 47.2 62.3 16.1 93 102 A Q H X S+ 0 0 131 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.909 112.3 48.5 -64.9 -41.4 48.9 62.4 12.7 94 103 A L H X S+ 0 0 34 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.943 111.3 51.4 -69.8 -37.2 45.8 63.4 10.7 95 104 A N H X S+ 0 0 17 -4,-2.8 4,-2.7 -5,-0.3 5,-0.3 0.908 108.9 50.2 -62.5 -42.5 45.1 66.1 13.3 96 105 A S H X S+ 0 0 69 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.913 111.8 48.4 -59.5 -43.6 48.6 67.5 12.9 97 106 A A H X S+ 0 0 50 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.929 113.6 47.5 -62.1 -44.4 48.2 67.5 9.1 98 107 A Y H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.918 112.0 46.6 -64.6 -51.6 44.9 69.3 9.4 99 108 A T H X S+ 0 0 47 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.864 108.1 58.4 -62.5 -30.4 45.9 71.9 11.9 100 109 A E H < S+ 0 0 167 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.888 114.5 38.5 -66.6 -33.5 49.0 72.6 9.7 101 110 A K H < S+ 0 0 114 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.908 132.4 22.2 -81.1 -42.8 46.6 73.4 6.8 102 111 A F H < S- 0 0 26 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.2 0.725 94.3-123.5-103.7 -25.0 43.8 75.2 8.7 103 112 A G S < S+ 0 0 26 -4,-2.1 -4,-0.2 -5,-0.4 -3,-0.1 0.696 84.2 69.1 87.1 19.9 45.4 76.6 11.9 104 113 A F S S- 0 0 11 -6,-0.2 -2,-0.3 -44,-0.0 -1,-0.3 -0.942 90.7 -83.1-155.4 160.3 42.9 74.9 14.3 105 114 A P - 0 0 20 0, 0.0 2,-0.7 0, 0.0 -42,-0.1 -0.063 48.4 -93.5 -64.9 165.7 42.3 71.3 15.3 106 115 A F - 0 0 10 -11,-0.0 2,-0.5 2,-0.0 -40,-0.4 -0.705 48.8-163.3 -78.1 115.5 40.1 68.8 13.4 107 116 A I + 0 0 1 -2,-0.7 2,-0.3 -42,-0.1 33,-0.1 -0.904 19.0 156.3-112.9 127.6 36.8 69.2 15.2 108 117 A I - 0 0 12 -2,-0.5 2,-0.3 32,-0.1 29,-0.0 -0.964 43.1-122.4-153.6 129.5 34.1 66.6 14.8 109 118 A A - 0 0 6 -2,-0.3 32,-0.1 1,-0.1 35,-0.0 -0.623 30.5-173.8 -68.4 134.7 31.0 65.5 16.8 110 119 A V > + 0 0 40 -2,-0.3 3,-2.5 3,-0.0 -1,-0.1 0.491 32.2 129.8-121.3 -10.1 31.7 61.9 17.4 111 120 A K T 3 S+ 0 0 161 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.277 89.4 4.1 -51.4 126.9 28.5 60.4 19.1 112 121 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.536 103.9 127.4 75.7 7.5 27.5 57.3 17.2 113 122 A L < - 0 0 52 -3,-2.5 -33,-0.4 3,-0.0 -1,-0.2 -0.767 43.8-154.4-105.4 141.3 30.6 57.4 14.9 114 123 A N > - 0 0 64 -2,-0.4 4,-1.4 -35,-0.1 3,-0.0 -0.507 39.6 -90.7 -99.7 177.9 33.0 54.6 14.2 115 124 A R H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.886 125.8 52.7 -54.4 -45.6 36.7 54.9 13.2 116 125 A H H > S+ 0 0 118 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.914 103.0 57.1 -57.2 -46.1 35.8 54.7 9.5 117 126 A D H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.852 110.3 46.2 -52.2 -37.2 33.2 57.6 9.8 118 127 A I H X S+ 0 0 2 -4,-1.4 4,-2.9 -3,-0.3 -1,-0.2 0.931 110.7 48.9 -76.4 -48.3 36.1 59.8 11.1 119 128 A L H X S+ 0 0 19 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.872 111.1 53.8 -53.6 -38.2 38.6 58.8 8.5 120 129 A S H X S+ 0 0 72 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.949 109.0 47.0 -65.3 -48.4 36.0 59.5 5.9 121 130 A A H X S+ 0 0 21 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.897 111.6 50.4 -60.8 -43.3 35.3 63.0 7.2 122 131 A F H X S+ 0 0 21 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.982 110.0 52.5 -56.5 -54.8 39.1 63.8 7.4 123 132 A D H X S+ 0 0 116 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.867 115.9 37.7 -45.6 -53.0 39.4 62.6 3.8 124 133 A T H >< S+ 0 0 87 -4,-2.3 3,-0.8 1,-0.1 -1,-0.2 0.945 120.1 47.5 -61.0 -51.7 36.6 64.9 2.5 125 134 A R H >< S+ 0 0 15 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.783 97.3 64.4 -75.5 -30.3 37.5 67.9 4.8 126 135 A I H 3< S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.1 0.820 102.0 56.7 -60.3 -27.3 41.2 68.2 4.3 127 136 A D T << S+ 0 0 132 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.433 88.4 97.5 -86.5 -0.5 40.4 69.0 0.7 128 137 A N S < S- 0 0 35 -3,-1.8 2,-0.2 -4,-0.1 -3,-0.0 -0.331 75.6-111.0 -80.4 170.8 38.2 72.0 1.5 129 138 A N >> - 0 0 85 -2,-0.1 4,-2.2 1,-0.0 3,-0.6 -0.574 37.9 -93.6 -96.8 167.5 39.2 75.6 1.5 130 139 A A H 3> S+ 0 0 74 1,-0.2 4,-1.2 -2,-0.2 5,-0.1 0.790 123.1 50.2 -50.6 -39.4 39.5 77.8 4.6 131 140 A A H 3> S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 110.8 47.8 -70.8 -39.9 36.0 79.2 4.2 132 141 A Q H <> S+ 0 0 91 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.951 113.3 47.5 -65.6 -50.1 34.3 75.8 3.9 133 142 A E H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.743 109.0 54.7 -60.8 -28.8 36.1 74.3 6.9 134 143 A F H X S+ 0 0 38 -4,-1.2 4,-2.2 -5,-0.3 5,-0.2 0.925 110.0 46.3 -73.9 -41.2 35.3 77.3 8.9 135 144 A A H X S+ 0 0 62 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.964 118.0 43.0 -58.7 -52.0 31.7 76.8 8.2 136 145 A T H X S+ 0 0 50 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.933 114.5 48.9 -59.7 -50.6 32.0 73.0 9.0 137 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.900 112.3 47.7 -60.4 -45.5 34.1 73.4 12.1 138 147 A T H X S+ 0 0 11 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.853 111.4 52.1 -63.4 -36.1 31.9 76.1 13.6 139 148 A G H X S+ 0 0 34 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.897 110.9 47.9 -63.3 -41.7 28.9 73.8 12.8 140 149 A Q H X S+ 0 0 44 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.867 105.4 56.8 -69.7 -40.0 30.6 70.9 14.6 141 150 A V H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.865 108.5 49.6 -58.3 -33.4 31.5 73.0 17.7 142 151 A E H X S+ 0 0 21 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.952 108.4 52.7 -76.8 -52.0 27.8 73.8 18.0 143 152 A K H X S+ 0 0 116 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.782 107.7 49.1 10.6 -79.8 27.0 70.2 17.7 144 153 A I H X S+ 0 0 8 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.904 107.4 56.9 -63.6 -39.2 29.3 69.3 20.4 145 154 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.931 108.4 48.0 -55.9 -45.1 27.8 72.0 22.6 146 155 A W H X S+ 0 0 68 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.935 111.2 48.8 -61.3 -49.2 24.4 70.3 22.1 147 156 A L H X S+ 0 0 47 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.893 112.6 48.8 -60.6 -40.5 25.8 66.9 22.9 148 157 A R H >X S+ 0 0 54 -4,-3.3 3,-1.4 2,-0.2 4,-1.0 0.983 113.5 45.6 -61.6 -55.8 27.5 68.2 26.1 149 158 A L H >X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.3 3,-0.7 0.857 106.3 60.6 -54.5 -42.1 24.3 70.0 27.3 150 159 A A H 3< S+ 0 0 27 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.741 104.3 49.8 -59.0 -25.8 22.2 67.0 26.5 151 160 A S H << S+ 0 0 104 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.773 117.9 39.7 -81.8 -23.3 24.2 64.9 29.0 152 161 A X H << S+ 0 0 92 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.1 0.556 119.0 33.7 -96.5 -16.1 23.9 67.5 31.7 153 162 A L S < S- 0 0 21 -4,-1.4 -117,-0.2 -5,-0.1 2,-0.1 -0.931 87.4 -92.1-141.3 156.8 20.2 68.7 31.3 154 163 A P - 0 0 91 0, 0.0 -117,-2.7 0, 0.0 -116,-0.2 -0.477 44.9-122.9 -70.0 156.2 16.8 67.4 30.3 155 164 A E 0 0 115 -119,-0.2 -117,-2.7 -118,-0.2 -116,-0.2 0.917 360.0 360.0 -73.6 -45.4 16.4 68.0 26.6 156 165 A G 0 0 80 -119,-0.2 -1,-0.0 -118,-0.1 -120,-0.0 0.293 360.0 360.0 108.1 360.0 13.3 70.1 26.4