==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-FEB-10 3LOM . COMPND 2 MOLECULE: GERANYLTRANSTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR Y.PATSKOVSKY,R.TORO,M.RUTTER,J.M.SAUDER,S.K.BURLEY,S.C.ALMO, . 573 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 78.4 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 . 5 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 . 2 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 . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 4 0 0 0 0 0 1 6 4 0 0 3 0 1 1 0 0 0 1 3 1 0 1 0 2 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 . 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 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 8 A N >> 0 0 160 0, 0.0 4,-1.8 0, 0.0 3,-1.5 0.000 360.0 360.0 360.0 -82.4 83.2 60.8 46.0 2 9 A S H 3> + 0 0 71 1,-0.3 4,-1.1 2,-0.3 5,-0.1 0.613 360.0 59.2 -73.1 -16.8 81.2 61.0 49.2 3 10 A T H 34 S+ 0 0 101 2,-0.1 -1,-0.3 1,-0.1 4,-0.0 0.593 120.5 31.1 -80.5 -13.8 81.7 64.7 49.8 4 11 A Q H <> S+ 0 0 130 -3,-1.5 4,-1.4 3,-0.1 -2,-0.3 0.499 111.1 65.6-116.8 -15.6 80.1 65.2 46.3 5 12 A M H X S+ 0 0 111 -4,-1.8 4,-0.7 2,-0.2 -3,-0.2 0.914 112.2 34.8 -68.9 -46.1 77.7 62.2 46.5 6 13 A N H X S+ 0 0 40 -4,-1.1 4,-1.2 2,-0.2 -1,-0.1 0.735 114.0 59.0 -80.1 -26.9 75.8 63.7 49.3 7 14 A K H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.867 107.0 47.4 -68.6 -38.2 76.2 67.3 48.1 8 15 A Q H X S+ 0 0 115 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.730 102.4 64.2 -73.7 -25.4 74.5 66.3 44.8 9 16 A V H X S+ 0 0 49 -4,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.894 105.1 45.5 -62.7 -41.3 71.7 64.6 46.8 10 17 A I H X S+ 0 0 2 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.909 112.9 50.5 -65.2 -45.0 70.8 68.0 48.2 11 18 A D H X S+ 0 0 52 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.871 110.4 49.9 -59.5 -40.5 71.0 69.5 44.6 12 19 A K H X S+ 0 0 134 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.782 105.1 57.7 -71.1 -31.5 68.8 66.8 43.2 13 20 A Y H X S+ 0 0 19 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.858 105.5 48.6 -70.8 -37.6 66.1 67.3 46.0 14 21 A T H X S+ 0 0 12 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.957 112.4 49.2 -60.9 -53.0 65.6 71.1 45.1 15 22 A Q H X S+ 0 0 111 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.882 112.5 47.9 -52.4 -46.1 65.3 70.2 41.4 16 23 A R H X S+ 0 0 94 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.896 113.1 48.7 -62.2 -42.5 62.7 67.5 42.2 17 24 A H H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.907 112.2 46.7 -66.4 -45.4 60.8 69.9 44.5 18 25 A E H X S+ 0 0 60 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.882 112.9 50.3 -63.5 -39.2 60.7 72.7 41.9 19 26 A L H X S+ 0 0 124 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.857 110.1 50.4 -68.2 -37.3 59.6 70.2 39.2 20 27 A Y H X S+ 0 0 47 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.839 108.9 51.9 -70.5 -33.9 56.9 68.9 41.5 21 28 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.907 108.3 50.8 -67.8 -43.9 55.6 72.4 42.2 22 29 A E H X S+ 0 0 65 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.930 111.8 46.5 -55.3 -52.3 55.3 73.3 38.5 23 30 A Q H < S+ 0 0 121 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.932 113.9 49.5 -57.2 -49.9 53.3 70.2 37.6 24 31 A L H >X S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 4,-1.1 0.913 112.2 46.9 -53.6 -51.8 51.1 70.9 40.7 25 32 A L H 3< S+ 0 0 3 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.871 107.5 56.8 -60.7 -39.2 50.5 74.5 39.7 26 33 A N T 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.514 106.1 52.7 -74.2 -4.7 49.8 73.7 36.0 27 34 A E T <4 S+ 0 0 111 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.739 88.3 88.4-100.4 -30.8 47.0 71.3 37.2 28 35 A I S < S- 0 0 22 -4,-1.1 2,-0.7 -3,-0.3 0, 0.0 -0.470 83.2-116.3 -71.2 139.8 44.9 73.6 39.4 29 36 A I + 0 0 125 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.1 -0.688 36.8 178.4 -73.7 112.5 42.1 75.7 37.9 30 37 A I - 0 0 9 -2,-0.7 6,-0.2 1,-0.1 415,-0.2 -0.837 8.5-175.1-120.2 90.6 43.3 79.3 38.4 31 38 A P + 0 0 34 0, 0.0 -1,-0.1 0, 0.0 414,-0.1 0.693 65.4 73.9 -63.1 -21.4 40.7 81.6 36.8 32 39 A A > - 0 0 0 412,-0.4 4,-2.0 1,-0.1 3,-0.4 -0.863 64.5-158.9 -99.4 117.2 42.6 84.8 37.5 33 40 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.833 94.9 57.4 -57.7 -37.3 45.7 85.4 35.3 34 41 A Q H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.871 107.3 49.5 -57.4 -41.3 47.1 87.8 37.9 35 42 A I H > S+ 0 0 0 -3,-0.4 4,-3.2 2,-0.2 5,-0.2 0.978 112.4 43.5 -66.7 -54.6 47.0 85.0 40.5 36 43 A R H X S+ 0 0 110 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.843 115.9 50.6 -62.8 -31.6 48.7 82.3 38.4 37 44 A S H X S+ 0 0 60 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.938 114.6 41.8 -67.1 -47.4 51.3 84.9 37.3 38 45 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.887 110.6 57.0 -72.2 -38.1 52.1 86.0 40.9 39 46 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.932 111.0 44.1 -48.0 -52.5 52.0 82.5 42.3 40 47 A H H X S+ 0 0 51 -4,-1.6 4,-0.9 -5,-0.2 -2,-0.2 0.838 112.6 52.3 -67.6 -35.2 54.7 81.5 39.8 41 48 A Y H < S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.915 115.5 40.4 -63.8 -44.8 56.7 84.7 40.5 42 49 A A H < S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.901 113.7 51.4 -73.6 -42.0 56.7 84.1 44.2 43 50 A L H < S+ 0 0 9 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 0.627 100.4 64.3 -75.4 -18.5 57.3 80.3 44.3 44 51 A F < + 0 0 46 -4,-0.9 2,-0.3 -3,-0.2 -1,-0.1 -0.936 58.8 137.0-121.6 120.4 60.4 80.0 42.0 45 52 A S - 0 0 34 -2,-0.5 2,-0.1 2,-0.2 -3,-0.0 -0.875 50.3 -86.3-143.1 173.0 63.8 81.5 42.8 46 53 A G S S+ 0 0 61 -2,-0.3 -1,-0.0 2,-0.1 2,-0.0 -0.317 87.6 34.1 -76.8 168.7 67.5 80.7 42.7 47 54 A G S S- 0 0 55 -2,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.189 97.2 -59.0 73.9-173.2 69.3 78.9 45.5 48 55 A K - 0 0 95 -2,-0.0 2,-0.6 -34,-0.0 -2,-0.1 -0.794 32.6-133.3-112.3 151.5 67.8 76.2 47.7 49 56 A R > - 0 0 35 -2,-0.3 4,-1.1 1,-0.1 28,-0.1 -0.906 16.1-154.6-102.7 114.0 64.7 76.1 50.0 50 57 A I H > S+ 0 0 33 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.829 82.3 60.6 -61.6 -40.3 65.7 74.5 53.4 51 58 A R H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 104.3 46.8 -60.7 -47.4 62.2 73.2 54.5 52 59 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.890 112.0 52.4 -60.2 -38.9 61.5 70.8 51.6 53 60 A I H X S+ 0 0 3 -4,-1.1 4,-3.0 2,-0.2 5,-0.2 0.915 107.7 50.7 -60.6 -45.8 65.1 69.4 51.8 54 61 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.887 109.4 52.1 -60.4 -41.7 64.6 68.6 55.5 55 62 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.902 112.6 45.3 -55.6 -45.4 61.4 66.9 54.7 56 63 A Y H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.921 116.6 43.8 -67.1 -45.0 63.2 64.7 52.1 57 64 A L H X S+ 0 0 4 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.858 117.1 44.3 -72.2 -38.6 66.2 63.9 54.3 58 65 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.820 112.0 55.1 -71.8 -33.5 64.1 63.2 57.4 59 66 A G H <>S+ 0 0 0 -4,-1.7 5,-2.7 -5,-0.3 -2,-0.2 0.812 105.6 51.9 -68.2 -33.2 61.7 61.2 55.3 60 67 A D H ><5S+ 0 0 55 -4,-1.5 3,-1.6 3,-0.2 -1,-0.2 0.867 100.9 62.4 -66.5 -40.6 64.6 59.0 54.0 61 68 A L H 3<5S+ 0 0 8 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.830 114.4 32.6 -58.7 -37.4 65.7 58.3 57.6 62 69 A I T 3<5S- 0 0 20 -4,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.120 113.1-121.3-106.2 19.4 62.5 56.5 58.3 63 70 A D T < 5 + 0 0 117 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.780 48.4 167.3 51.7 42.4 62.1 55.3 54.7 64 71 A V < - 0 0 15 -5,-2.7 -1,-0.2 1,-0.1 5,-0.1 -0.565 47.8 -79.8 -85.3 152.6 58.8 56.8 53.8 65 72 A D > - 0 0 101 -2,-0.2 4,-1.8 1,-0.1 3,-0.2 -0.211 30.9-138.4 -54.7 133.8 57.6 56.9 50.2 66 73 A Q H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.727 103.0 61.2 -70.2 -22.9 59.2 59.7 48.1 67 74 A G H > S+ 0 0 22 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.907 106.1 46.5 -63.2 -46.2 55.8 60.5 46.5 68 75 A V H > S+ 0 0 2 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 109.8 55.4 -58.9 -44.5 54.4 61.3 49.9 69 76 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.847 101.8 56.5 -59.5 -39.9 57.5 63.4 50.6 70 77 A D H X S+ 0 0 10 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.908 110.3 45.4 -54.9 -46.8 56.9 65.5 47.5 71 78 A I H X S+ 0 0 3 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.915 113.2 47.6 -66.3 -48.6 53.5 66.4 48.7 72 79 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.918 113.7 48.2 -61.7 -46.0 54.5 67.2 52.3 73 80 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.766 110.3 52.1 -64.3 -31.3 57.4 69.4 51.1 74 81 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.937 109.7 48.4 -70.5 -48.4 55.2 71.3 48.6 75 82 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.866 112.3 50.1 -58.3 -40.6 52.7 72.1 51.3 76 83 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.890 111.9 45.8 -65.4 -43.6 55.5 73.3 53.6 77 84 A E H X S+ 0 0 7 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.890 111.5 52.8 -67.0 -40.2 57.0 75.5 51.0 78 85 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.910 112.8 44.6 -58.8 -45.3 53.6 76.9 50.0 79 86 A T H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.957 115.9 46.6 -63.0 -51.4 52.9 77.8 53.7 80 87 A H H X S+ 0 0 21 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 113.5 49.6 -55.4 -46.3 56.4 79.2 54.2 81 88 A C H X S+ 0 0 8 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.904 107.1 53.4 -64.3 -46.6 56.1 81.2 51.0 82 89 A Y H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.926 109.6 49.5 -50.5 -48.3 52.7 82.7 51.8 83 90 A S H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.892 109.5 50.8 -63.9 -38.8 54.1 84.0 55.1 84 91 A L H X S+ 0 0 36 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.907 109.5 50.8 -63.6 -42.9 57.1 85.6 53.5 85 92 A I H X S+ 0 0 8 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.912 115.1 43.2 -59.1 -45.3 54.9 87.4 50.9 86 93 A H H >< S+ 0 0 0 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.895 113.3 50.3 -70.0 -40.3 52.7 88.7 53.8 87 94 A D H 3< S+ 0 0 13 -4,-2.8 6,-2.7 1,-0.2 7,-0.5 0.840 103.4 61.6 -66.8 -33.5 55.7 89.6 56.0 88 95 A D H 3< S+ 0 0 2 -4,-2.3 7,-2.3 5,-0.2 -1,-0.2 0.726 83.0 109.1 -62.2 -25.5 57.3 91.5 53.1 89 96 A L S X<>S- 0 0 2 -3,-0.8 5,-2.2 -4,-0.6 3,-2.0 -0.089 84.2-111.7 -55.5 150.8 54.3 94.0 52.9 90 97 A P T 3 5S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 311,-0.1 0.739 115.6 62.4 -59.4 -26.9 54.7 97.6 54.0 91 98 A A T 3 5S+ 0 0 34 -5,-0.1 310,-0.4 309,-0.1 311,-0.1 0.675 120.3 18.7 -67.3 -21.4 52.4 97.0 57.1 92 99 A M T < 5S- 0 0 17 -3,-2.0 -4,-0.2 -6,-0.2 -5,-0.1 0.447 138.5 -9.8-117.5-107.2 54.9 94.5 58.4 93 100 A D T 5S- 0 0 54 -6,-2.7 -5,-0.2 -7,-0.1 -4,-0.1 0.705 77.0-144.4 -75.7 -18.2 58.6 94.0 57.5 94 101 A N < + 0 0 88 -5,-2.2 2,-0.7 -7,-0.5 -5,-0.2 0.936 28.6 176.5 56.1 56.0 58.4 96.5 54.6 95 102 A D - 0 0 55 -7,-2.3 -1,-0.2 1,-0.2 8,-0.1 -0.838 24.8-175.7 -97.9 115.6 60.8 94.7 52.2 96 103 A D S S+ 0 0 87 -2,-0.7 7,-2.3 1,-0.2 2,-0.4 0.806 80.5 45.7 -70.4 -32.0 61.2 96.2 48.7 97 104 A L E -A 102 0A 103 5,-0.3 2,-0.6 -3,-0.1 -1,-0.2 -0.953 63.8-161.8-118.9 127.9 63.4 93.2 47.9 98 105 A R E > S-A 101 0A 64 3,-2.2 3,-1.3 -2,-0.4 2,-0.3 -0.973 82.4 -38.7-100.2 120.2 62.9 89.6 48.7 99 106 A R T 3 S- 0 0 169 -2,-0.6 4,-0.1 1,-0.2 -2,-0.1 -0.502 124.9 -31.3 56.0-118.2 66.4 88.1 48.3 100 107 A G T 3 S+ 0 0 66 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.671 126.0 71.6 -98.1 -19.8 67.9 90.1 45.4 101 108 A K E < S-A 98 0A 58 -3,-1.3 -3,-2.2 1,-0.1 6,-0.0 -0.550 95.0 -80.3-100.4 157.6 64.7 90.6 43.4 102 109 A P E -A 97 0A 69 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.279 52.9-112.8 -51.6 138.7 61.7 92.9 43.9 103 110 A S >> - 0 0 1 -7,-2.3 4,-2.5 -8,-0.1 3,-0.9 -0.223 33.7 -94.2 -71.4 167.3 59.1 91.5 46.3 104 111 A C H 3> S+ 0 0 8 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.813 124.5 47.5 -57.0 -38.8 55.7 90.3 45.3 105 112 A H H 34 S+ 0 0 12 2,-0.2 -1,-0.3 1,-0.2 5,-0.2 0.753 113.8 49.0 -75.8 -23.6 53.9 93.6 46.0 106 113 A K H <4 S+ 0 0 119 -3,-0.9 -2,-0.2 -10,-0.1 -1,-0.2 0.855 114.2 44.1 -80.2 -38.4 56.7 95.6 44.2 107 114 A A H < S+ 0 0 47 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.782 140.6 0.4 -74.0 -29.9 56.5 93.4 41.1 108 115 A F S < S- 0 0 50 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.244 107.0 -73.3-120.1-113.5 52.7 93.4 41.2 109 116 A D > - 0 0 75 -5,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.933 37.2-100.3-146.7 171.7 50.7 95.3 43.8 110 117 A E H > S+ 0 0 73 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.901 119.2 54.8 -63.3 -41.7 49.9 94.9 47.4 111 118 A A H > S+ 0 0 12 270,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.879 109.4 47.9 -56.1 -41.1 46.4 93.5 46.8 112 119 A T H > S+ 0 0 6 2,-0.2 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172.3 78.3 89.2 72.5 246 267 A K H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.889 128.2 38.2 -43.3 -55.0 80.3 88.2 69.4 247 268 A Q H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 117.5 50.5 -71.9 -38.0 82.2 85.3 71.2 248 269 A Q H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.903 112.4 46.6 -64.3 -45.2 79.1 84.2 73.2 249 270 A L H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 -2,-0.2 0.933 109.3 55.2 -64.0 -46.6 77.0 84.1 70.1 250 271 A E H X S+ 0 0 43 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.855 111.9 43.5 -51.8 -43.2 79.7 82.2 68.2 251 272 A E H X S+ 0 0 119 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.880 110.0 55.3 -73.7 -38.5 79.7 79.5 70.9 252 273 A E H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.918 109.9 48.1 -56.8 -45.6 75.9 79.5 71.1 253 274 A I H X S+ 0 0 5 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.950 115.4 45.4 -52.4 -53.9 76.0 78.7 67.4 254 275 A A H X S+ 0 0 33 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.907 113.1 47.3 -62.2 -48.3 78.6 76.0 67.9 255 276 A V H X S+ 0 0 63 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.914 113.2 48.3 -62.6 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-70.6 -13.4 73.9 59.2 65.8 266 287 A L T 34 S+ 0 0 109 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.830 104.3 42.6 -64.9 -35.6 71.1 56.7 66.3 267 288 A F T X4 S+ 0 0 30 -3,-1.4 3,-1.2 1,-0.2 2,-0.4 0.796 92.9 178.9 -81.8 -33.1 70.8 56.6 62.5 268 289 A G G >< + 0 0 34 -4,-1.3 3,-0.7 1,-0.3 -1,-0.2 -0.530 64.1 3.6 77.4-120.8 74.6 56.5 62.0 269 290 A S G > S+ 0 0 118 -2,-0.4 3,-1.2 1,-0.2 -1,-0.3 0.694 123.8 68.7 -75.4 -22.5 75.9 56.3 58.4 270 291 A K G < S+ 0 0 105 -3,-1.2 3,-0.4 1,-0.2 -1,-0.2 0.751 98.6 52.3 -64.6 -26.1 72.3 56.5 57.1 271 292 A A G <> S+ 0 0 1 -3,-0.7 4,-2.3 -7,-0.2 3,-0.5 0.364 75.0 106.7 -91.9 4.0 72.2 60.1 58.3 272 293 A A H <> S+ 0 0 39 -3,-1.2 4,-1.5 1,-0.3 -1,-0.2 0.715 76.2 56.6 -60.6 -24.8 75.4 61.2 56.5 273 294 A A H > S+ 0 0 18 -3,-0.4 4,-1.6 2,-0.2 -1,-0.3 0.931 111.6 41.1 -67.0 -49.1 73.4 63.1 54.0 274 295 A L H > S+ 0 0 2 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.830 112.0 55.7 -69.6 -35.4 71.7 65.2 56.7 275 296 A I H X S+ 0 0 53 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.887 107.5 49.0 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55.6-105.7 -26.3 78.7 81.4 60.0 286 307 A N H >< S+ 0 0 76 -4,-0.6 3,-1.8 1,-0.2 -2,-0.2 0.687 85.7 79.6 -79.1 -22.0 82.3 80.0 59.9 287 308 A L T 3< S+ 0 0 154 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.609 82.6 65.9 -67.1 -14.1 83.3 81.7 56.7 288 309 A S T < 0 0 65 -3,-0.6 -1,-0.3 0, 0.0 -2,-0.1 0.754 360.0 360.0 -71.6 -27.8 83.8 85.0 58.6 289 310 A E < 0 0 157 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.651 360.0 360.0-104.3 360.0 86.7 83.2 60.4 290 !* 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 0.0 291 8 B N > 0 0 165 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -54.5 1.8 82.4 64.1 292 9 B S H > + 0 0 69 2,-0.2 4,-1.2 1,-0.1 5,-0.1 0.550 360.0 60.5 -90.4 -13.4 3.8 79.8 62.4 293 10 B T H > S+ 0 0 66 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.849 103.6 51.4 -68.0 -41.8 5.9 82.7 61.0 294 11 B Q H > S+ 0 0 130 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.861 110.4 46.8 -62.7 -42.0 6.6 83.5 64.7 295 12 B M H X S+ 0 0 121 -4,-0.9 4,-1.0 2,-0.2 -1,-0.2 0.832 112.6 50.5 -70.4 -36.0 7.7 79.9 65.4 296 13 B N H X S+ 0 0 28 -4,-1.2 4,-1.5 2,-0.2 3,-0.3 0.892 106.8 51.6 -72.5 -43.8 9.9 79.8 62.3 297 14 B K H X S+ 0 0 95 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.843 107.8 55.2 -58.5 -36.2 11.8 83.1 63.0 298 15 B Q H X S+ 0 0 108 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.790 101.9 55.8 -68.9 -31.8 12.6 81.8 66.5 299 16 B V H X S+ 0 0 58 -4,-1.0 4,-1.3 -3,-0.3 -1,-0.2 0.914 112.0 44.1 -63.3 -42.6 14.2 78.6 65.0 300 17 B I H X S+ 0 0 8 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.913 113.6 49.6 -68.2 -45.7 16.5 80.9 63.0 301 18 B D H X S+ 0 0 82 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.870 109.7 51.6 -61.5 -40.1 17.1 83.2 66.0 302 19 B K H X S+ 0 0 141 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.781 109.8 49.9 -68.2 -30.2 18.0 80.2 68.2 303 20 B Y H X S+ 0 0 20 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.900 110.9 50.0 -69.7 -42.5 20.4 79.0 65.6 304 21 B T H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 114.0 43.2 -61.1 -49.5 22.0 82.5 65.5 305 22 B Q H X S+ 0 0 129 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.868 114.5 50.9 -66.2 -39.0 22.4 82.7 69.3 306 23 B R H X S+ 0 0 98 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.915 111.5 48.9 -62.4 -44.2 23.7 79.1 69.5 307 24 B H H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.938 112.0 47.0 -61.2 -50.4 26.2 79.8 66.8 308 25 B E H X S+ 0 0 65 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.878 111.9 50.0 -63.9 -40.0 27.5 83.0 68.4 309 26 B L H X S+ 0 0 105 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.914 108.9 53.6 -59.9 -43.6 27.8 81.4 71.9 310 27 B Y H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.823 105.8 52.7 -63.8 -34.4 29.7 78.5 70.3 311 28 B L H X S+ 0 0 1 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.906 107.5 51.7 -67.7 -41.9 32.3 80.9 68.7 312 29 B E H X S+ 0 0 58 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.949 112.1 45.6 -57.3 -52.5 33.0 82.5 72.1 313 30 B Q H X S+ 0 0 97 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.884 113.6 50.9 -57.6 -42.2 33.6 79.2 73.7 314 31 B L H X S+ 0 0 4 -4,-2.0 4,-0.6 2,-0.2 3,-0.4 0.934 110.0 47.7 -63.7 -50.2 35.8 78.1 70.7 315 32 B L H >< S+ 0 0 4 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.915 111.0 52.2 -56.5 -46.1 37.9 81.3 70.8 316 33 B N H 3< S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 104.7 57.3 -61.5 -29.9 38.5 81.0 74.6 317 34 B E H 3< S+ 0 0 113 -4,-1.4 2,-0.4 -3,-0.4 -1,-0.3 0.581 89.5 91.5 -79.1 -11.7 39.6 77.4 74.2 318 35 B I S << S- 0 0 6 -3,-1.3 2,-0.6 -4,-0.6 -4,-0.0 -0.706 78.4-125.7 -90.7 134.1 42.5 78.3 71.8 319 36 B I + 0 0 126 -2,-0.4 -2,-0.1 1,-0.0 -3,-0.0 -0.679 33.4 177.4 -73.8 115.3 46.0 79.0 73.1 320 37 B I - 0 0 15 -2,-0.6 -165,-0.2 1,-0.1 6,-0.1 -0.886 15.6-171.2-125.3 99.4 46.9 82.5 71.6 321 38 B P S S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -166,-0.1 0.745 75.9 66.2 -63.7 -24.2 50.3 83.7 72.8 322 39 B A >> - 0 0 2 -168,-0.4 4,-1.6 1,-0.1 3,-0.6 -0.890 67.8-162.3-101.6 109.2 49.7 87.2 71.3 323 40 B P H 3> S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.805 89.8 61.2 -59.8 -32.7 46.8 89.0 73.1 324 41 B Q H 3> S+ 0 0 77 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.873 103.4 50.3 -59.7 -38.7 46.4 91.5 70.2 325 42 B I H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.943 111.8 47.6 -63.2 -47.9 45.6 88.5 67.9 326 43 B R H X S+ 0 0 72 -4,-1.6 4,-2.0 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0.736 66.3 175.8 95.9 28.8 27.5 92.4 63.7 337 54 B G - 0 0 25 -4,-0.2 -1,-0.2 1,-0.1 34,-0.0 -0.342 36.4-129.8 -63.1 147.4 27.6 89.9 60.8 338 55 B K - 0 0 147 -2,-0.0 -1,-0.1 1,-0.0 5,-0.1 0.507 29.5-136.9 -83.6 -3.7 24.2 88.5 59.9 339 56 B R > + 0 0 5 1,-0.1 4,-2.5 3,-0.1 5,-0.2 0.803 45.5 156.1 53.4 40.8 25.6 84.9 60.0 340 57 B I H > + 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 69.2 54.1 -64.6 -38.6 23.9 83.7 56.8 341 58 B R H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 111.8 43.6 -65.1 -45.3 26.4 81.0 56.1 342 59 B P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.942 112.5 53.4 -59.2 -47.9 26.0 79.4 59.6 343 60 B I H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.916 110.3 47.4 -53.7 -46.0 22.1 79.8 59.4 344 61 B L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.880 109.3 54.1 -63.1 -41.1 22.2 77.9 56.0 345 62 B V H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.915 113.2 42.1 -57.2 -47.2 24.4 75.2 57.5 346 63 B Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.937 117.3 46.6 -66.2 -47.8 22.0 74.6 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