==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-JAN-11 3Q7F . COMPND 2 MOLECULE: FARNESYLTRANSFERASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOCOCCUS NEOFORMANS; . AUTHOR M.A.HAST,L.S.BEESE . 798 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 29 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 346 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.4 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 2 0 2 0 0 1 4 4 1 7 4 4 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 9 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A T 0 0 194 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.8 56.5 -65.0 -3.5 2 6 A Y - 0 0 50 1,-0.0 31,-0.0 0, 0.0 0, 0.0 -0.558 360.0-141.1 -76.4 132.0 52.8 -65.0 -2.7 3 7 A I - 0 0 103 -2,-0.3 5,-0.1 2,-0.0 -1,-0.0 -0.858 22.8-125.9 -94.3 113.8 51.2 -68.2 -1.3 4 8 A P > - 0 0 26 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.272 12.0-127.4 -58.1 144.3 47.7 -68.7 -2.8 5 9 A M G > S+ 0 0 6 1,-0.3 3,-0.6 2,-0.2 6,-0.3 0.699 108.3 66.3 -68.0 -20.6 45.0 -69.3 -0.2 6 10 A S G 3 S+ 0 0 83 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.612 102.5 48.6 -72.7 -14.3 43.9 -72.5 -2.0 7 11 A Q G < S+ 0 0 137 -3,-1.6 2,-0.4 3,-0.0 -1,-0.2 0.458 91.7 97.6-100.8 -7.2 47.3 -73.9 -1.0 8 12 A R X - 0 0 67 -3,-0.6 3,-1.3 -4,-0.3 4,-0.3 -0.724 65.8-148.6 -89.1 130.7 46.9 -72.8 2.7 9 13 A R T 3 S+ 0 0 181 -2,-0.4 3,-0.4 1,-0.3 4,-0.3 0.688 96.5 66.4 -72.5 -19.3 45.7 -75.5 5.1 10 14 A S T 3 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.667 112.1 34.5 -68.0 -19.3 44.0 -72.8 7.2 11 15 A W S X S+ 0 0 18 -3,-1.3 3,-2.0 -6,-0.3 -2,-0.2 0.299 82.8 111.4-119.9 5.3 41.6 -72.3 4.3 12 16 A A T 3 S+ 0 0 79 -3,-0.4 -2,-0.1 -4,-0.3 -3,-0.1 0.784 77.3 53.5 -52.1 -36.4 41.4 -75.8 2.9 13 17 A D T 3 S+ 0 0 112 -4,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.564 93.2 88.1 -78.9 -11.0 37.7 -76.1 3.9 14 18 A V < - 0 0 11 -3,-2.0 31,-0.0 0, 0.0 -3,-0.0 -0.796 64.3-152.1 -97.4 127.7 36.6 -72.9 2.1 15 19 A K - 0 0 176 -2,-0.5 -3,-0.1 29,-0.1 -2,-0.0 -0.880 25.1-128.3 -95.4 114.8 35.6 -73.0 -1.6 16 20 A P - 0 0 36 0, 0.0 2,-0.5 0, 0.0 25,-0.2 -0.256 14.9-141.3 -63.1 149.0 36.4 -69.6 -3.1 17 21 A I - 0 0 66 23,-2.3 26,-0.3 22,-0.1 27,-0.2 -0.968 15.1-131.6-116.2 127.4 33.6 -67.8 -5.1 18 22 A M - 0 0 97 -2,-0.5 2,-0.2 1,-0.1 431,-0.0 -0.345 32.3 -91.0 -75.4 154.1 34.4 -65.9 -8.3 19 23 A Q - 0 0 28 1,-0.1 2,-1.3 -2,-0.1 3,-0.2 -0.465 33.8-137.1 -64.5 131.2 33.3 -62.3 -9.0 20 24 A D + 0 0 84 1,-0.2 428,-0.2 -2,-0.2 429,-0.2 -0.555 47.0 147.5 -94.7 71.0 30.0 -62.4 -10.8 21 25 A D - 0 0 40 -2,-1.3 414,-0.2 1,-0.2 -1,-0.2 0.729 47.5-136.6 -76.0 -23.4 30.7 -59.7 -13.5 22 26 A G - 0 0 24 -3,-0.2 -1,-0.2 413,-0.1 2,-0.2 -0.337 50.1 -28.6 83.2-177.5 28.6 -61.3 -16.2 23 27 A P S S- 0 0 86 0, 0.0 409,-0.0 0, 0.0 408,-0.0 -0.483 121.5 -14.7 -72.5 139.7 29.8 -61.5 -19.8 24 28 A N S S- 0 0 117 -2,-0.2 408,-0.2 1,-0.1 407,-0.1 0.809 82.1-158.5 40.2 61.1 32.2 -58.9 -21.2 25 29 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 404,-0.1 -0.276 11.0-122.0 -68.9 151.9 31.8 -56.3 -18.4 26 30 A V S S+ 0 0 0 402,-0.4 364,-0.2 1,-0.2 381,-0.1 -0.525 88.9 18.7 -85.1 164.0 32.7 -52.6 -18.9 27 31 A V S S+ 0 0 1 362,-2.9 -1,-0.2 -2,-0.2 363,-0.2 0.793 80.9 177.2 40.5 46.2 35.3 -50.8 -16.7 28 32 A P - 0 0 38 0, 0.0 364,-2.5 0, 0.0 2,-0.4 -0.501 21.8-136.0 -75.5 145.4 37.0 -54.0 -15.5 29 33 A I B -a 392 0A 10 362,-0.2 2,-2.0 -2,-0.2 365,-0.1 -0.853 11.7-128.1-102.5 133.9 40.0 -53.6 -13.2 30 34 A M - 0 0 109 362,-2.7 367,-0.1 -2,-0.4 364,-0.1 -0.559 37.9-156.1 -76.7 78.3 43.1 -55.8 -13.6 31 35 A Y - 0 0 50 -2,-2.0 363,-0.1 1,-0.1 364,-0.1 -0.241 15.7-110.9 -58.9 141.3 43.2 -56.9 -10.0 32 36 A S > - 0 0 55 362,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.313 30.5-107.7 -63.9 156.6 46.5 -58.0 -8.5 33 37 A E H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.889 120.6 50.6 -51.8 -43.9 46.9 -61.7 -7.7 34 38 A E H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 112.0 45.0 -62.8 -47.4 46.7 -60.9 -3.9 35 39 A Y H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 113.6 48.2 -67.5 -46.2 43.5 -58.7 -4.2 36 40 A K H X S+ 0 0 98 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.934 113.7 47.9 -57.5 -49.5 41.6 -61.2 -6.4 37 41 A D H X S+ 0 0 24 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.891 111.8 50.0 -60.2 -43.2 42.5 -64.1 -4.2 38 42 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.902 112.9 46.2 -63.1 -43.7 41.5 -62.2 -1.0 39 43 A M H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.841 106.7 58.1 -68.5 -36.8 38.1 -61.2 -2.5 40 44 A D H X S+ 0 0 6 -4,-2.4 -23,-2.3 1,-0.2 4,-1.1 0.910 113.8 39.4 -57.9 -43.0 37.4 -64.7 -3.8 41 45 A Y H X S+ 0 0 5 -4,-1.7 4,-2.8 -25,-0.2 -2,-0.2 0.820 113.2 54.5 -77.9 -32.5 37.7 -66.0 -0.2 42 46 A F H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.916 105.8 53.5 -64.1 -43.6 35.9 -62.9 1.2 43 47 A R H X S+ 0 0 7 -4,-3.0 4,-1.7 -26,-0.3 -1,-0.2 0.878 112.9 44.6 -54.3 -40.8 33.0 -63.6 -1.1 44 48 A A H X S+ 0 0 6 -4,-1.1 4,-1.9 -5,-0.2 -2,-0.2 0.936 114.3 47.5 -70.6 -49.4 32.9 -67.2 0.2 45 49 A I H <>S+ 0 0 2 -4,-2.8 5,-2.3 1,-0.2 4,-0.4 0.905 115.7 45.0 -55.4 -47.0 33.3 -66.2 3.9 46 50 A A H <5S+ 0 0 27 -4,-3.0 3,-0.3 3,-0.2 -1,-0.2 0.849 108.6 55.9 -73.5 -36.0 30.6 -63.5 3.6 47 51 A A H <5S+ 0 0 73 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.917 115.3 38.2 -59.9 -45.4 28.1 -65.7 1.7 48 52 A K T <5S- 0 0 122 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.475 109.7-130.0 -83.9 -2.7 28.2 -68.3 4.5 49 53 A E T 5 - 0 0 135 -4,-0.4 2,-0.3 -3,-0.3 -3,-0.2 0.862 35.2-174.7 54.6 44.9 28.3 -65.5 7.1 50 54 A E < - 0 0 25 -5,-2.3 2,-0.7 -6,-0.1 -1,-0.2 -0.539 15.1-162.3 -72.6 128.0 31.3 -66.9 9.0 51 55 A K + 0 0 77 -2,-0.3 2,-0.3 31,-0.1 -1,-0.1 -0.864 41.0 124.5-112.4 94.4 32.3 -64.9 12.1 52 56 A S S > S- 0 0 25 -2,-0.7 4,-1.9 1,-0.1 5,-0.1 -0.876 72.7-102.0-145.5 170.4 35.8 -66.0 12.9 53 57 A E H > S+ 0 0 104 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.881 120.5 51.5 -65.3 -41.5 39.4 -64.9 13.6 54 58 A R H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.855 109.5 51.4 -64.9 -35.4 40.5 -65.8 10.0 55 59 A A H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.896 109.8 49.6 -65.8 -42.4 37.6 -63.8 8.6 56 60 A L H X S+ 0 0 12 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.924 111.4 48.6 -61.4 -46.0 38.7 -60.8 10.8 57 61 A E H X S+ 0 0 121 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.869 108.6 54.6 -61.9 -38.2 42.2 -61.1 9.5 58 62 A L H X S+ 0 0 8 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.869 104.0 54.2 -65.0 -38.2 41.0 -61.4 5.9 59 63 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.856 108.0 50.0 -64.3 -36.2 39.1 -58.1 6.2 60 64 A E H X S+ 0 0 47 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.897 107.7 53.9 -68.0 -41.6 42.2 -56.3 7.4 61 65 A I H X S+ 0 0 76 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.920 113.0 44.0 -54.2 -46.6 44.2 -57.7 4.4 62 66 A I H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.7 0.927 110.1 51.0 -69.9 -48.7 41.5 -56.3 2.0 63 67 A V H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.728 104.9 59.7 -66.3 -22.0 41.0 -52.8 3.5 64 68 A R H 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.851 112.4 38.3 -69.9 -36.0 44.8 -52.3 3.4 65 69 A M H << S+ 0 0 60 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.808 136.5 20.5 -80.7 -35.1 44.7 -52.8 -0.3 66 70 A N >< - 0 0 0 -4,-2.6 3,-1.9 -5,-0.1 -1,-0.2 -0.715 63.3-179.7-138.1 86.9 41.5 -50.9 -0.7 67 71 A P T 3 S+ 0 0 21 0, 0.0 39,-0.2 0, 0.0 40,-0.1 0.637 82.8 60.6 -58.7 -15.4 40.6 -48.5 2.2 68 72 A A T 3 + 0 0 26 38,-0.1 2,-1.6 330,-0.1 3,-0.1 0.353 66.2 120.9 -96.4 4.6 37.4 -47.5 0.4 69 73 A H <> - 0 0 0 -3,-1.9 4,-1.7 1,-0.2 3,-0.4 -0.518 38.6-177.7 -75.0 89.7 35.8 -51.0 0.3 70 74 A Y H > S+ 0 0 14 -2,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.784 76.5 57.5 -63.2 -32.2 32.6 -50.2 2.3 71 75 A T H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 107.9 46.8 -63.2 -45.3 31.3 -53.8 2.2 72 76 A V H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.860 110.9 52.0 -67.7 -37.3 34.4 -55.2 3.8 73 77 A W H X S+ 0 0 11 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.905 109.0 50.3 -63.7 -43.6 34.3 -52.4 6.5 74 78 A Q H X S+ 0 0 44 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.924 112.7 46.9 -59.4 -45.9 30.7 -53.3 7.3 75 79 A Y H X S+ 0 0 17 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.882 109.0 55.4 -64.2 -38.7 31.6 -56.9 7.6 76 80 A R H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 106.7 49.2 -60.8 -44.6 34.7 -56.1 9.8 77 81 A F H X S+ 0 0 37 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.870 109.5 52.7 -65.0 -36.5 32.5 -54.2 12.3 78 82 A S H X S+ 0 0 29 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.886 109.4 49.9 -61.2 -41.7 30.1 -57.2 12.5 79 83 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 6,-0.2 0.901 108.2 52.7 -62.4 -44.2 33.1 -59.4 13.2 80 84 A L H <>S+ 0 0 3 -4,-2.3 5,-2.4 1,-0.2 4,-0.3 0.895 115.7 40.1 -60.0 -42.3 34.4 -57.1 16.0 81 85 A T H <5S+ 0 0 40 -4,-1.9 3,-0.5 3,-0.2 -2,-0.2 0.900 116.5 48.7 -75.6 -43.3 30.9 -57.2 17.7 82 86 A S H <5S+ 0 0 70 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.908 117.1 41.4 -60.9 -45.9 30.2 -60.9 17.1 83 87 A L T <5S- 0 0 53 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.476 106.9-127.8 -82.9 -3.9 33.6 -62.0 18.4 84 88 A N T 5 - 0 0 146 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.910 43.7-177.7 55.6 45.3 33.5 -59.5 21.3 85 89 A K < - 0 0 75 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.1 -0.306 37.9 -86.0 -72.3 156.6 36.9 -58.1 20.2 86 90 A S > - 0 0 49 1,-0.2 4,-1.4 2,-0.1 -1,-0.1 -0.530 35.2-164.5 -64.8 113.7 38.7 -55.4 22.1 87 91 A L H > S+ 0 0 19 -2,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.748 88.6 58.5 -73.3 -25.2 37.4 -52.1 20.6 88 92 A E H > S+ 0 0 93 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.865 104.5 50.7 -69.5 -38.4 40.3 -50.2 22.2 89 93 A D H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.873 107.7 53.3 -65.0 -39.4 42.8 -52.4 20.2 90 94 A E H X S+ 0 0 10 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.863 104.9 55.3 -64.5 -37.8 40.9 -51.7 17.0 91 95 A L H X S+ 0 0 26 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.886 107.1 49.7 -59.0 -42.3 41.2 -47.9 17.7 92 96 A R H X S+ 0 0 132 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.872 107.9 53.5 -65.6 -38.3 45.0 -48.3 17.9 93 97 A L H X S+ 0 0 21 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.856 106.7 52.7 -62.0 -37.4 45.0 -50.2 14.6 94 98 A M H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.837 105.0 54.8 -66.6 -34.7 43.1 -47.3 13.1 95 99 A N H X S+ 0 0 46 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.900 107.1 50.8 -61.9 -42.0 45.8 -45.0 14.4 96 100 A E H X S+ 0 0 90 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.852 105.8 56.5 -60.9 -38.6 48.3 -47.2 12.5 97 101 A F H <>S+ 0 0 1 -4,-1.6 5,-3.1 2,-0.2 -2,-0.2 0.898 107.1 47.8 -60.5 -44.1 46.2 -46.8 9.4 98 102 A A H ><5S+ 0 0 45 -4,-1.7 3,-1.1 3,-0.2 -1,-0.2 0.869 111.4 50.5 -64.9 -39.2 46.4 -43.0 9.5 99 103 A V H 3<5S+ 0 0 117 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.841 110.9 49.5 -66.6 -34.3 50.2 -43.2 10.0 100 104 A Q T 3<5S- 0 0 92 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.192 119.0-112.8 -91.5 15.1 50.5 -45.5 7.0 101 105 A N T < 5 + 0 0 130 -3,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.782 67.2 144.6 58.8 35.1 48.4 -43.2 4.9 102 106 A L < + 0 0 29 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.912 27.1 150.9-103.1 109.6 45.3 -45.5 4.5 103 107 A K + 0 0 110 -2,-0.7 2,-0.3 -3,-0.1 3,-0.1 -0.980 10.0 123.3-148.1 149.2 42.3 -43.1 4.6 104 108 A S S > S- 0 0 24 -2,-0.3 4,-1.5 1,-0.1 3,-0.4 -0.953 70.8 -71.5-179.0 178.2 38.7 -42.6 3.4 105 109 A Y H > S+ 0 0 69 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.856 127.1 59.7 -46.0 -39.4 35.1 -41.9 4.5 106 110 A Q H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.841 100.2 49.3 -70.1 -40.9 35.2 -45.5 5.7 107 111 A V H > S+ 0 0 9 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.920 114.5 45.8 -64.3 -46.5 38.1 -45.2 8.2 108 112 A W H X S+ 0 0 31 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.895 113.7 48.5 -64.6 -41.9 36.6 -42.1 9.9 109 113 A H H X S+ 0 0 31 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.870 109.2 54.4 -64.1 -37.7 33.1 -43.7 10.0 110 114 A H H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 107.3 50.3 -60.6 -44.3 34.7 -46.8 11.5 111 115 A R H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.902 109.0 52.1 -58.3 -45.2 36.3 -44.6 14.2 112 116 A L H X S+ 0 0 37 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.908 109.7 48.4 -58.5 -46.2 32.9 -43.0 14.9 113 117 A L H X S+ 0 0 36 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.890 111.6 50.5 -62.7 -41.1 31.2 -46.5 15.3 114 118 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.915 113.1 44.8 -62.4 -45.2 34.0 -47.6 17.6 115 119 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.841 110.4 54.4 -71.6 -34.2 33.7 -44.6 19.9 116 120 A D H < S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.929 116.0 39.5 -58.6 -46.5 29.9 -44.7 19.9 117 121 A R H < S+ 0 0 145 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.925 116.4 47.2 -75.5 -47.6 30.1 -48.4 21.1 118 122 A I H < S- 0 0 40 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.947 85.6-173.3 -53.2 -48.6 33.1 -47.9 23.5 119 123 A S < - 0 0 36 -4,-2.3 -3,-0.1 -5,-0.2 -4,-0.1 0.946 12.7-152.7 51.0 60.0 31.2 -44.9 24.8 120 124 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.251 18.3-129.1 -62.2 148.7 34.0 -43.7 27.2 121 125 A Q S S+ 0 0 145 1,-0.3 -2,-0.0 2,-0.0 0, 0.0 0.860 103.6 29.4 -63.7 -37.0 33.1 -41.6 30.2 122 126 A D - 0 0 94 1,-0.1 3,-0.4 38,-0.0 -1,-0.3 -0.975 65.4-170.6-126.5 115.0 35.7 -39.0 29.2 123 127 A P >> + 0 0 1 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.215 53.2 115.8 -88.2 17.4 36.4 -38.6 25.4 124 128 A V H 3> S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 70.9 52.9 -55.8 -42.6 39.4 -36.3 26.1 125 129 A S H 3> S+ 0 0 93 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.854 110.5 47.8 -66.7 -34.5 42.0 -38.7 24.6 126 130 A E H <> S+ 0 0 8 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.882 110.3 52.3 -70.4 -39.5 40.1 -39.1 21.4 127 131 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 109.8 50.1 -57.4 -46.0 39.7 -35.3 21.2 128 132 A E H X S+ 0 0 106 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.894 107.9 52.5 -60.7 -43.5 43.5 -35.0 21.7 129 133 A Y H X S+ 0 0 59 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.915 109.1 50.3 -58.0 -44.2 44.1 -37.5 18.9 130 134 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.908 108.7 51.4 -62.4 -44.0 41.9 -35.4 16.5 131 135 A H H X S+ 0 0 11 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.918 111.8 46.6 -57.8 -46.6 43.8 -32.2 17.4 132 136 A G H < S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 110.4 53.9 -64.2 -37.3 47.1 -33.9 16.6 133 137 A S H < S+ 0 0 33 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.813 107.7 51.1 -64.3 -34.2 45.7 -35.3 13.4 134 138 A L H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.769 90.9 77.9 -77.0 -29.0 44.6 -31.8 12.3 135 139 A L T 3< S+ 0 0 110 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.902 104.8 31.0 -51.0 -53.1 47.9 -30.1 12.8 136 140 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.585 133.3 36.2 -82.3 -7.4 49.7 -31.4 9.6 137 141 A D S X S+ 0 0 66 -3,-0.6 3,-1.6 -4,-0.4 -2,-0.2 -0.518 73.5 170.0-140.2 67.0 46.3 -31.5 7.8 138 142 A P T 3 S+ 0 0 50 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.445 72.6 41.6 -73.7 -4.6 44.4 -28.4 9.1 139 143 A K T 3 + 0 0 25 45,-0.1 2,-0.3 -5,-0.1 -5,-0.1 0.249 69.4 145.9-125.0 9.9 41.5 -28.4 6.6 140 144 A N <> - 0 0 25 -3,-1.6 4,-2.1 -6,-0.2 5,-0.2 -0.334 37.9-154.3 -54.5 109.9 40.6 -32.1 6.4 141 145 A Y H > S+ 0 0 16 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.910 89.3 48.8 -57.6 -49.3 36.8 -31.9 6.0 142 146 A H H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.841 110.2 51.7 -61.6 -36.9 36.1 -35.4 7.4 143 147 A T H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 110.7 48.1 -68.1 -42.2 38.3 -34.8 10.4 144 148 A W H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.897 111.8 49.7 -63.3 -42.3 36.5 -31.5 11.2 145 149 A A H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.887 110.1 51.4 -63.4 -39.9 33.0 -33.2 10.8 146 150 A Y H X S+ 0 0 9 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.873 106.8 53.1 -64.5 -40.1 34.1 -36.0 13.1 147 151 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.899 109.2 50.3 -60.2 -42.5 35.2 -33.4 15.7 148 152 A H H X S+ 0 0 10 -4,-1.9 4,-2.2 418,-0.3 -2,-0.2 0.927 112.4 46.3 -58.9 -49.1 31.7 -31.9 15.5 149 153 A W H X S+ 0 0 22 -4,-2.3 4,-3.8 417,-0.2 5,-0.3 0.917 110.0 54.0 -60.5 -46.9 30.0 -35.3 15.9 150 154 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.943 114.0 39.4 -55.5 -56.0 32.3 -36.2 18.9 151 155 A Y H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.861 118.7 49.9 -61.8 -37.4 31.5 -33.1 20.9 152 156 A S H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.945 114.1 42.6 -67.6 -49.8 27.8 -33.2 19.8 153 157 A H H X S+ 0 0 31 -4,-3.8 4,-0.6 1,-0.2 3,-0.2 0.934 118.7 43.5 -62.8 -49.0 27.3 -36.9 20.7 154 158 A F H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.3 6,-0.3 0.749 107.8 59.5 -73.9 -23.5 29.2 -36.8 24.0 155 159 A S H ><5S+ 0 0 29 -4,-1.5 3,-1.5 -5,-0.2 -1,-0.2 0.846 99.8 56.6 -70.1 -35.1 27.6 -33.5 25.1 156 160 A T H 3<5S+ 0 0 57 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.739 104.3 53.8 -67.2 -22.8 24.1 -35.1 24.9 157 161 A L T 3<5S- 0 0 74 -4,-0.6 -1,-0.3 -3,-0.1 -2,-0.2 0.406 118.3-118.1 -86.5 0.5 25.4 -37.7 27.4 158 162 A G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.745 78.4 126.8 69.5 26.7 26.4 -34.8 29.6 159 163 A R < + 0 0 59 -5,-2.4 2,-0.7 -8,-0.1 -4,-0.2 0.383 41.2 87.2-101.6 2.3 30.1 -35.8 29.4 160 164 A I - 0 0 17 -6,-0.3 2,-0.1 -5,-0.2 -38,-0.0 -0.914 66.8-153.2-103.3 114.1 31.7 -32.5 28.2 161 165 A S > - 0 0 67 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.322 27.5-110.1 -78.8 165.6 32.7 -30.3 31.2 162 166 A E H > S+ 0 0 138 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.851 121.4 53.8 -63.3 -36.6 32.9 -26.5 31.1 163 167 A A H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 108.0 50.5 -61.3 -44.3 36.7 -26.8 31.5 164 168 A Q H > S+ 0 0 22 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.905 111.1 47.5 -61.2 -44.7 36.7 -29.1 28.4 165 169 A W H X S+ 0 0 20 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.898 111.1 53.8 -59.7 -43.1 34.7 -26.6 26.4 166 170 A G H X S+ 0 0 33 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.901 108.5 46.4 -58.5 -46.8 37.0 -23.9 27.6 167 171 A S H X S+ 0 0 49 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.785 108.4 58.1 -70.2 -27.2 40.2 -25.7 26.4 168 172 A E H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.895 107.3 46.1 -66.6 -41.6 38.4 -26.4 23.1 169 173 A L H X S+ 0 0 35 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.900 111.2 53.2 -66.5 -41.9 37.9 -22.7 22.5 170 174 A D H X S+ 0 0 107 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.936 111.3 46.3 -52.8 -50.4 41.6 -22.1 23.5 171 175 A W H X S+ 0 0 40 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.883 111.5 51.2 -62.4 -41.3 42.6 -24.6 20.9 172 176 A C H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.879 107.9 52.8 -63.9 -40.0 40.3 -23.1 18.3 173 177 A N H X S+ 0 0 50 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.862 108.2 50.8 -62.4 -38.2 41.8 -19.6 18.9 174 178 A E H X S+ 0 0 87 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.856 106.8 53.6 -69.3 -37.7 45.3 -21.0 18.4 175 179 A M H X S+ 0 0 17 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.891 111.7 46.0 -61.2 -40.2 44.3 -22.6 15.1 176 180 A L H < S+ 0 0 10 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.749 110.5 53.3 -75.1 -26.2 43.0 -19.2 14.0 177 181 A R H < S+ 0 0 146 -4,-1.4 3,-0.4 2,-0.2 -2,-0.2 0.918 109.9 47.8 -70.1 -45.1 46.2 -17.5 15.2 178 182 A V H < S+ 0 0 92 -4,-2.5 162,-0.3 1,-0.3 2,-0.2 0.860 137.0 5.3 -62.8 -38.8 48.4 -19.9 13.2 179 183 A D >< - 0 0 14 -4,-1.7 3,-2.0 -5,-0.2 -1,-0.3 -0.700 59.1-174.9-152.2 96.2 46.2 -19.3 10.1 180 184 A G T 3 S+ 0 0 10 -3,-0.4 46,-0.1 1,-0.3 -4,-0.1 0.651 87.7 63.5 -63.8 -16.5 43.4 -16.7 10.2 181 185 A R T 3 S+ 0 0 3 44,-0.1 2,-1.3 43,-0.0 -1,-0.3 0.237 70.0 116.5 -92.2 11.0 42.4 -17.9 6.7 182 186 A N X> - 0 0 2 -3,-2.0 4,-1.5 1,-0.2 3,-0.7 -0.686 43.3-174.9 -81.4 94.9 41.5 -21.4 8.0 183 187 A N H 3> S+ 0 0 1 -2,-1.3 4,-1.9 439,-0.4 -1,-0.2 0.761 80.2 61.9 -62.5 -28.0 37.7 -21.4 7.2 184 188 A S H 3> S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.865 104.6 47.5 -63.8 -39.8 37.4 -24.8 8.9 185 189 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.835 108.6 54.4 -71.9 -35.0 38.6 -23.3 12.2 186 190 A W H X S+ 0 0 2 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.892 108.1 50.5 -61.7 -40.8 36.1 -20.4 11.7 187 191 A G H X S+ 0 0 11 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.869 109.5 50.0 -63.3 -39.4 33.4 -23.0 11.4 188 192 A W H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.894 108.4 53.4 -65.6 -40.6 34.5 -24.7 14.6 189 193 A R H X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.904 105.5 54.0 -59.2 -43.0 34.4 -21.3 16.3 190 194 A W H X>S+ 0 0 20 -4,-2.0 4,-2.4 2,-0.2 5,-2.1 0.902 109.8 47.6 -59.0 -43.6 30.8 -20.8 15.1 191 195 A Y H <>S+ 0 0 2 -4,-1.7 5,-2.3 3,-0.2 -2,-0.2 0.952 116.4 43.2 -59.2 -51.4 29.9 -24.2 16.7 192 196 A L H <5S+ 0 0 7 -4,-2.5 8,-0.3 1,-0.2 -2,-0.2 0.850 127.0 29.2 -65.7 -37.8 31.7 -23.4 20.0 193 197 A R H <5S+ 0 0 49 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.647 135.7 8.4-100.8 -20.7 30.5 -19.8 20.3 194 198 A V T <5S+ 0 0 11 -4,-2.4 -3,-0.2 -5,-0.3 5,-0.1 0.718 120.3 38.8-126.7 -58.1 27.1 -19.7 18.5 195 199 A S T - 0 0 46 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.287 68.7 -97.4 -78.5 177.6 24.5 -13.1 26.9 203 207 A S H > S+ 0 0 104 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.874 126.4 44.5 -68.8 -39.5 24.7 -9.5 25.8 204 208 A R H > S+ 0 0 150 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.745 108.9 59.2 -74.4 -25.7 28.3 -9.0 26.8 205 209 A S H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.885 106.4 46.4 -67.3 -41.5 29.1 -12.4 25.3 206 210 A L H X S+ 0 0 31 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.806 110.4 55.1 -67.6 -32.6 27.9 -11.1 21.9 207 211 A Q H X S+ 0 0 88 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.917 107.1 48.8 -64.8 -46.6 29.9 -7.9 22.6 208 212 A D H X S+ 0 0 70 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.884 110.3 52.2 -58.0 -42.0 33.1 -10.0 23.1 209 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0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.896 114.2 50.3 -61.3 -43.2 16.2 -42.3 -8.0 521 206 B A H X>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 4,-0.5 0.865 112.1 48.4 -64.5 -38.0 12.8 -42.1 -6.1 522 207 B T H ><5S+ 0 0 2 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.916 113.6 46.6 -64.6 -45.8 11.7 -39.3 -8.4 523 208 B L H 3<5S+ 0 0 0 -4,-2.4 276,-0.2 1,-0.2 -2,-0.2 0.794 116.7 41.9 -69.9 -31.3 12.7 -41.1 -11.6 524 209 B L H 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.373 107.0-116.7-102.2 4.2 11.1 -44.5 -10.7 525 210 B D T <<5S+ 0 0 10 -3,-0.6 207,-0.3 -4,-0.5 -3,-0.2 0.959 74.4 127.3 58.2 55.6 7.8 -43.3 -9.2 526 211 B I < + 0 0 0 -5,-2.1 2,-0.4 -6,-0.1 -4,-0.1 -0.003 26.2 131.5-129.2 28.7 8.5 -44.6 -5.7 527 212 B I + 0 0 8 -6,-0.4 205,-0.1 -5,-0.1 227,-0.0 -0.706 25.8 167.2 -86.0 130.0 8.0 -41.5 -3.5 528 213 B T > - 0 0 4 -2,-0.4 4,-1.1 212,-0.1 3,-0.4 -0.917 47.6-109.4-133.4 162.0 5.7 -41.9 -0.4 529 214 B P H > S+ 0 0 30 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.872 117.4 54.5 -57.4 -40.1 5.0 -39.7 2.6 530 215 B E H 4 S+ 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437 B L H < S+ 0 0 158 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.777 113.9 40.7 -68.2 -29.7 -2.3 -30.7 -18.9 722 438 B K H < S+ 0 0 126 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.550 86.6 118.2 -97.8 -10.8 -0.9 -33.7 -20.8 723 439 B F < - 0 0 25 -4,-1.2 2,-0.6 -3,-0.3 29,-0.1 -0.300 52.0-151.6 -60.2 137.3 -0.4 -36.1 -17.8 724 440 B D > - 0 0 68 1,-0.1 3,-1.2 3,-0.1 -1,-0.1 -0.910 12.9-176.7-116.4 102.6 -2.4 -39.3 -17.9 725 441 B A T 3 S+ 0 0 42 -2,-0.6 -1,-0.1 1,-0.3 26,-0.0 0.630 78.6 69.0 -75.4 -16.3 -3.2 -40.5 -14.3 726 442 B S T 3 S+ 0 0 103 22,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.514 93.3 72.1 -78.4 -6.2 -4.9 -43.7 -15.5 727 443 B K < + 0 0 102 -3,-1.2 2,-0.3 73,-0.1 -3,-0.1 -0.938 66.0 105.5-113.8 132.5 -1.5 -44.9 -16.7 728 444 B G - 0 0 36 -2,-0.4 72,-0.1 73,-0.0 73,-0.1 -0.896 62.7 -87.7 170.1 160.7 1.2 -46.0 -14.3 729 445 B L - 0 0 38 70,-0.7 3,-0.1 -2,-0.3 70,-0.0 -0.453 67.0 -72.6 -80.7 158.6 3.2 -48.8 -12.7 730 446 B P - 0 0 103 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.253 57.7-105.9 -56.0 137.4 1.9 -50.5 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