==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 29-APR-04 1T4G . COMPND 2 MOLECULE: DNA REPAIR AND RECOMBINATION PROTEIN RADA; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS VOLTAE; . AUTHOR Y.WU,Y.HE,I.A.MOYA,X.QIAN,Y.LUO . 299 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 9.0 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 . 1 0.3 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 . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 4 1 0 2 0 2 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 2 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 5 A L > 0 0 40 0, 0.0 3,-2.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -33.9 22.4 38.2 30.0 2 6 A T T 3 + 0 0 84 1,-0.3 5,-0.1 4,-0.1 4,-0.1 0.638 360.0 75.0 -65.2 -10.7 21.9 36.9 33.5 3 7 A D T 3 S+ 0 0 130 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.711 78.6 96.3 -69.8 -20.9 24.8 34.6 32.9 4 8 A L S X S- 0 0 3 -3,-2.3 3,-2.4 1,-0.1 44,-0.1 -0.530 93.6 -94.6 -75.9 136.1 26.9 37.8 33.3 5 9 A P T 3 S+ 0 0 56 0, 0.0 46,-0.2 0, 0.0 -1,-0.1 -0.217 108.8 5.4 -50.9 123.9 28.5 38.5 36.7 6 10 A G T 3 S+ 0 0 58 1,-0.2 2,-0.7 -4,-0.1 5,-0.1 0.302 98.2 125.9 84.2 -9.8 26.3 40.7 38.8 7 11 A V < + 0 0 9 -3,-2.4 -1,-0.2 -6,-0.2 -3,-0.0 -0.745 33.1 172.8 -90.4 115.8 23.5 40.7 36.2 8 12 A G > - 0 0 22 -2,-0.7 4,-2.3 -3,-0.1 5,-0.2 -0.418 50.2 -80.3-106.3-174.5 20.2 39.7 37.6 9 13 A P H > S+ 0 0 100 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.875 127.3 46.1 -55.1 -45.6 16.6 39.7 36.0 10 14 A S H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.943 113.4 47.5 -66.5 -48.8 16.0 43.4 36.6 11 15 A T H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 108.6 56.6 -59.4 -39.6 19.4 44.6 35.3 12 16 A A H X S+ 0 0 16 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.869 105.3 51.6 -59.5 -39.0 18.9 42.3 32.3 13 17 A E H X S+ 0 0 137 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.889 108.8 50.0 -65.4 -40.9 15.7 44.1 31.4 14 18 A K H X S+ 0 0 78 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.906 112.5 48.4 -64.2 -41.1 17.3 47.4 31.6 15 19 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 3,-0.5 0.938 111.1 47.2 -65.3 -49.8 20.1 46.2 29.3 16 20 A V H ><5S+ 0 0 71 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.851 112.3 51.7 -62.1 -33.7 17.8 44.7 26.7 17 21 A E H 3<5S+ 0 0 178 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.755 106.9 53.7 -73.8 -25.0 15.7 47.8 26.7 18 22 A A T 3<5S- 0 0 40 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.350 127.2 -98.7 -90.3 4.9 18.8 50.0 26.2 19 23 A G T < 5S+ 0 0 23 -3,-0.9 2,-1.3 -4,-0.2 3,-0.3 0.336 87.0 125.0 96.7 -7.5 19.8 47.9 23.1 20 24 A Y < + 0 0 21 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.700 19.2 139.8 -90.2 92.6 22.3 45.7 24.8 21 25 A I + 0 0 75 -2,-1.3 2,-0.3 -5,-0.1 -1,-0.2 0.684 56.4 51.0-105.2 -24.6 21.0 42.2 23.9 22 26 A D S > S- 0 0 53 -3,-0.3 4,-0.9 1,-0.1 3,-0.1 -0.738 79.1-119.0-114.5 165.1 24.2 40.2 23.2 23 27 A F H > S+ 0 0 55 -2,-0.3 4,-3.8 1,-0.2 3,-0.3 0.876 106.6 60.1 -69.4 -40.2 27.5 39.7 25.0 24 28 A M H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.864 103.0 52.3 -58.7 -37.0 29.8 41.3 22.4 25 29 A K H 4 S+ 0 0 27 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.5 40.3 -67.8 -32.7 28.1 44.6 22.6 26 30 A I H >< S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.3 -2,-0.2 0.899 113.0 53.5 -79.5 -43.7 28.6 44.6 26.4 27 31 A A H 3< S+ 0 0 3 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.835 116.6 39.9 -59.0 -34.3 32.1 43.1 26.2 28 32 A T T 3< S+ 0 0 48 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.288 96.1 107.4 -99.8 9.4 33.1 46.0 23.8 29 33 A A < - 0 0 3 -3,-1.3 2,-0.2 -5,-0.1 -3,-0.1 -0.516 68.8-121.0 -87.6 156.0 31.1 48.7 25.6 30 34 A T > - 0 0 81 -2,-0.2 4,-1.4 1,-0.1 3,-0.2 -0.593 25.4-114.8 -90.2 156.8 32.7 51.5 27.7 31 35 A V H > S+ 0 0 64 1,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.854 117.5 60.6 -59.5 -32.6 31.7 51.8 31.3 32 36 A G H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 98.3 55.1 -59.5 -48.9 30.2 55.2 30.3 33 37 A E H 4 S+ 0 0 57 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.910 116.6 36.3 -49.8 -50.6 27.8 53.5 27.9 34 38 A L H >< S+ 0 0 0 -4,-1.4 3,-2.7 1,-0.2 6,-0.2 0.909 111.0 56.4 -73.8 -46.3 26.3 51.2 30.6 35 39 A T H >< S+ 0 0 41 -4,-2.9 3,-1.6 1,-0.3 5,-0.4 0.849 100.7 62.5 -56.3 -31.9 26.4 53.5 33.6 36 40 A D T 3< S+ 0 0 132 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.453 80.7 84.4 -72.7 0.8 24.3 55.9 31.6 37 41 A I T < S- 0 0 35 -3,-2.7 -1,-0.3 3,-0.2 -2,-0.2 0.645 98.6-129.7 -77.0 -13.4 21.6 53.2 31.5 38 42 A E S < S+ 0 0 159 -3,-1.6 -2,-0.1 2,-0.4 3,-0.1 0.890 90.4 42.1 63.7 110.4 20.5 54.5 34.9 39 43 A G S S+ 0 0 47 1,-0.3 2,-0.7 -4,-0.3 -1,-0.1 0.230 93.0 104.0 103.0 -9.6 20.1 52.0 37.6 40 44 A I - 0 0 8 -5,-0.4 -2,-0.4 -6,-0.2 -1,-0.3 -0.918 66.7-146.6-105.4 110.6 23.3 50.4 36.3 41 45 A S > - 0 0 51 -2,-0.7 4,-2.3 -3,-0.1 5,-0.1 -0.274 20.2-118.1 -73.5 164.4 26.2 51.3 38.7 42 46 A E H > S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.764 116.1 52.4 -73.0 -26.2 29.7 51.9 37.5 43 47 A K H > S+ 0 0 162 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.861 113.2 42.2 -77.8 -37.5 30.9 49.0 39.6 44 48 A A H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.868 112.0 55.1 -75.2 -38.5 28.3 46.6 38.1 45 49 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.917 109.5 47.8 -59.8 -42.4 28.9 48.0 34.6 46 50 A A H X S+ 0 0 46 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.855 111.4 51.0 -66.7 -36.0 32.6 47.2 35.1 47 51 A K H X S+ 0 0 109 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.924 111.5 45.0 -70.0 -45.3 31.8 43.7 36.4 48 52 A M H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.843 112.5 52.7 -69.0 -31.7 29.5 42.7 33.5 49 53 A I H X S+ 0 0 6 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.951 111.3 45.2 -67.2 -48.1 31.9 44.1 30.9 50 54 A M H X S+ 0 0 111 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.885 115.3 50.6 -61.0 -37.2 34.8 42.1 32.4 51 55 A G H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.902 108.9 48.5 -67.9 -42.4 32.4 39.1 32.4 52 56 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.874 107.9 56.1 -66.4 -37.2 31.3 39.5 28.8 53 57 A R H <>S+ 0 0 121 -4,-2.3 5,-2.5 1,-0.2 4,-0.3 0.930 109.9 45.8 -60.6 -43.4 34.9 39.8 27.7 54 58 A D H ><5S+ 0 0 111 -4,-1.6 3,-0.9 2,-0.2 -2,-0.2 0.888 110.4 51.9 -67.7 -40.6 35.7 36.5 29.3 55 59 A L H 3<5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.861 115.1 43.7 -63.8 -33.6 32.6 34.7 28.0 56 60 A C T 3<5S- 0 0 42 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.449 111.5-125.3 -89.9 -0.4 33.6 35.9 24.5 57 61 A D T < 5 + 0 0 118 -3,-0.9 2,-1.3 -4,-0.3 -3,-0.2 0.920 43.3 170.9 56.5 51.2 37.3 35.0 25.1 58 62 A L < + 0 0 78 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.1 -0.578 34.4 101.2 -92.6 73.1 38.6 38.5 24.3 59 63 A G S S- 0 0 55 -2,-1.3 2,-0.3 1,-0.1 -5,-0.0 -0.409 79.3 -40.3-130.5-153.7 42.3 38.1 25.3 60 64 A F - 0 0 220 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.600 55.7-174.5 -80.2 139.5 45.7 37.6 23.8 61 65 A K + 0 0 80 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.936 7.6 164.8-130.7 153.1 45.8 35.1 20.9 62 66 A S > + 0 0 88 -2,-0.3 3,-1.4 0, 0.0 4,-0.1 -0.944 41.5 19.6-156.1 176.1 48.7 33.7 19.0 63 67 A G T >> S- 0 0 53 -2,-0.3 3,-2.3 1,-0.3 4,-0.6 -0.225 124.9 -4.5 59.8-143.5 49.8 30.9 16.6 64 68 A I H >> S+ 0 0 120 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.751 126.2 71.3 -53.8 -27.6 47.1 29.1 14.7 65 69 A D H <> S+ 0 0 68 -3,-1.4 4,-1.4 1,-0.2 -1,-0.3 0.772 90.2 60.4 -62.9 -24.4 44.5 31.1 16.6 66 70 A L H <> S+ 0 0 100 -3,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.869 104.3 49.0 -69.9 -35.4 45.5 34.2 14.6 67 71 A L H < S+ 0 0 89 -4,-1.4 3,-1.4 1,-0.2 -1,-0.2 0.938 109.8 48.6 -62.7 -46.5 40.3 35.0 13.4 70 74 A R H >< S+ 0 0 105 -4,-1.4 3,-1.1 1,-0.3 -1,-0.2 0.746 102.7 64.3 -66.1 -24.6 41.1 36.0 9.9 71 75 A S T 3< S+ 0 0 39 -4,-1.5 56,-0.5 1,-0.2 -1,-0.3 0.498 83.2 74.8 -79.4 -4.7 39.1 33.0 8.5 72 76 A T T < S+ 0 0 35 -3,-1.4 2,-0.5 -4,-0.3 -1,-0.2 0.595 76.0 99.6 -81.4 -9.5 35.8 34.4 9.9 73 77 A V < - 0 0 15 -3,-1.1 2,-0.3 -4,-0.2 54,-0.2 -0.658 56.5-170.3 -80.1 123.1 36.0 37.0 7.0 74 78 A W - 0 0 0 -2,-0.5 19,-2.2 52,-0.1 2,-0.4 -0.757 11.2-138.2-108.1 159.9 33.7 36.0 4.1 75 79 A K E -AB 92 125A 44 50,-2.8 50,-3.1 -2,-0.3 2,-0.5 -0.953 0.6-140.9-128.1 145.1 33.8 37.8 0.7 76 80 A L E -AB 91 124A 0 15,-2.4 15,-3.1 -2,-0.4 48,-0.2 -0.846 23.6-124.5-102.9 131.3 31.2 39.0 -1.8 77 81 A S - 0 0 6 46,-2.5 13,-0.1 -2,-0.5 40,-0.1 -0.399 7.4-155.3 -71.0 148.7 31.8 38.7 -5.5 78 82 A T - 0 0 3 2,-0.4 220,-0.2 -2,-0.1 -1,-0.1 0.471 42.8-114.2-100.2 -5.4 31.5 41.9 -7.6 79 83 A S S S+ 0 0 33 1,-0.2 2,-0.5 44,-0.1 221,-0.4 0.330 89.2 105.2 84.0 -2.2 30.6 39.9 -10.7 80 84 A S > - 0 0 0 219,-0.2 4,-2.4 1,-0.2 -2,-0.4 -0.938 60.8-154.8-111.0 128.6 33.9 41.1 -12.2 81 85 A S H > S+ 0 0 82 -2,-0.5 4,-2.1 2,-0.2 5,-0.2 0.963 96.7 45.5 -62.8 -54.8 36.9 38.6 -12.5 82 86 A E H > S+ 0 0 91 208,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.874 114.6 49.0 -57.8 -39.9 39.6 41.3 -12.5 83 87 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.943 109.8 49.3 -67.8 -48.1 37.9 43.2 -9.6 84 88 A D H <>S+ 0 0 22 -4,-2.4 5,-3.5 1,-0.2 -1,-0.2 0.880 113.4 49.7 -57.6 -36.9 37.5 40.1 -7.4 85 89 A S H ><5S+ 0 0 90 -4,-2.1 3,-1.9 3,-0.2 -2,-0.2 0.938 108.3 49.9 -67.5 -48.2 41.1 39.3 -8.0 86 90 A V H 3<5S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.785 110.2 53.9 -60.5 -26.3 42.4 42.8 -7.2 87 91 A L T ><5S- 0 0 0 -4,-1.7 3,-0.5 -5,-0.2 -1,-0.3 0.476 117.7-115.6 -85.8 -5.6 40.3 42.4 -4.0 88 92 A G T < 5S- 0 0 32 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.818 90.7 -19.1 73.8 29.7 42.0 39.2 -3.2 89 93 A G T 3 -A 75 0A 2 -2,-0.3 3,-0.7 -17,-0.2 156,-0.5 -0.503 7.3-136.8 -81.5 137.3 35.5 41.7 2.6 93 97 A S B 3 S+C 247 0B 0 -19,-2.2 154,-0.3 -2,-0.3 149,-0.1 -0.444 91.6 38.7 -77.5 161.2 33.1 41.4 5.5 94 98 A Q T 3 S+ 0 0 30 152,-1.9 2,-0.3 147,-0.5 -1,-0.2 0.665 109.2 76.9 69.4 18.0 34.3 43.2 8.7 95 99 A S S < S- 0 0 17 -3,-0.7 153,-1.6 151,-0.5 2,-0.5 -0.960 76.8-119.8-148.9 164.7 35.8 46.1 6.7 96 100 A V E -d 248 0B 0 -2,-0.3 166,-2.2 151,-0.1 165,-1.0 -0.942 24.7-164.2-110.8 127.3 34.6 49.2 4.8 97 101 A T E -de 249 262B 0 151,-2.7 153,-2.3 -2,-0.5 2,-0.5 -0.956 5.4-155.4-115.2 126.5 35.4 49.4 1.1 98 102 A E E -de 250 263B 2 164,-3.4 166,-2.4 -2,-0.5 2,-0.7 -0.868 8.7-163.5-105.7 131.2 35.1 52.7 -0.6 99 103 A F E +de 251 264B 0 151,-2.7 153,-1.7 -2,-0.5 2,-0.3 -0.928 19.6 179.2-109.9 104.0 34.5 53.1 -4.3 100 104 A A E +de 252 265B 1 164,-2.6 166,-3.1 -2,-0.7 2,-0.3 -0.746 14.3 137.1-101.1 155.0 35.5 56.7 -5.2 101 105 A G E -de 253 266B 0 151,-1.9 153,-1.2 -2,-0.3 166,-0.2 -0.916 49.4 -75.8 173.3 160.9 35.2 58.0 -8.7 102 106 A V S > S- 0 0 41 164,-1.1 3,-2.1 -2,-0.3 5,-0.3 -0.103 73.3 -63.0 -64.7 165.2 34.3 60.8 -11.1 103 107 A F T 3 S+ 0 0 137 1,-0.3 -1,-0.2 2,-0.1 150,-0.0 -0.235 123.9 7.1 -49.3 131.9 30.7 61.5 -12.1 104 108 A G T 3 S+ 0 0 49 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.567 84.7 129.8 70.5 10.2 29.2 58.5 -13.8 105 109 A S S < S- 0 0 0 -3,-2.1 -2,-0.1 161,-0.2 162,-0.1 0.669 84.6 -96.0 -71.2 -15.6 32.1 56.2 -13.2 106 110 A G S > S+ 0 0 8 -4,-0.2 4,-2.5 160,-0.1 5,-0.2 0.530 78.5 136.5 116.1 6.8 29.7 53.5 -11.9 107 111 A K H > S+ 0 0 18 -5,-0.3 4,-1.8 1,-0.2 5,-0.1 0.920 81.1 43.3 -50.1 -52.0 29.8 53.8 -8.1 108 112 A T H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 110.2 56.6 -64.9 -39.1 26.0 53.4 -7.8 109 113 A Q H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.920 106.4 50.5 -58.6 -43.4 26.0 50.6 -10.3 110 114 A I H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.907 107.8 53.0 -63.0 -39.3 28.4 48.7 -8.1 111 115 A M H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.924 111.7 45.6 -61.2 -43.5 26.3 49.3 -5.1 112 116 A H H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.928 110.2 53.4 -65.3 -45.3 23.2 47.8 -6.9 113 117 A Q H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.883 106.6 53.5 -57.3 -39.6 25.2 44.8 -8.2 114 118 A S H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.886 105.3 52.8 -64.5 -39.5 26.3 44.0 -4.7 115 119 A C H < S+ 0 0 0 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.885 113.5 44.7 -62.2 -38.3 22.8 43.9 -3.4 116 120 A V H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.928 110.8 52.6 -70.0 -48.3 21.8 41.5 -6.2 117 121 A N H >< S+ 0 0 1 -4,-2.9 3,-1.9 1,-0.3 6,-0.3 0.764 96.0 68.8 -60.8 -28.8 24.9 39.3 -5.7 118 122 A L T 3< S+ 0 0 1 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.811 96.9 55.2 -60.1 -29.6 24.2 38.9 -2.0 119 123 A Q T < S+ 0 0 32 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.391 90.1 80.9 -86.8 2.5 21.2 36.9 -3.0 120 124 A N X - 0 0 26 -3,-1.9 3,-2.9 1,-0.1 4,-0.2 -0.899 68.8-159.2-109.0 100.5 23.3 34.4 -5.0 121 125 A P G > S+ 0 0 100 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.746 89.2 63.8 -50.0 -27.9 24.7 32.0 -2.4 122 126 A E G 3 S+ 0 0 155 1,-0.2 -5,-0.0 -3,-0.1 -3,-0.0 0.553 93.8 63.4 -75.8 -6.5 27.5 31.1 -4.8 123 127 A F G < S+ 0 0 52 -3,-2.9 -46,-2.5 -6,-0.3 2,-0.7 0.342 83.3 84.0 -98.9 4.9 28.8 34.7 -4.7 124 128 A L E < -B 76 0A 11 -3,-1.2 2,-0.5 -48,-0.2 -48,-0.2 -0.937 67.6-160.2-110.1 109.0 29.6 34.6 -1.0 125 129 A F E +B 75 0A 88 -50,-3.1 -50,-2.8 -2,-0.7 2,-0.3 -0.803 26.6 142.2 -94.8 123.1 33.1 33.0 -0.6 126 130 A Y - 0 0 59 -2,-0.5 2,-0.9 -52,-0.2 -52,-0.1 -0.981 55.5-103.0-155.4 164.7 33.9 31.6 2.9 127 131 A D >> - 0 0 77 -56,-0.5 4,-2.6 -2,-0.3 3,-2.5 -0.833 28.0-153.0 -93.0 106.0 35.7 28.9 4.9 128 132 A E T 34 S+ 0 0 113 -2,-0.9 5,-0.2 1,-0.3 -1,-0.1 0.519 92.7 64.3 -59.0 -4.2 32.9 26.7 6.0 129 133 A E T 34 S+ 0 0 177 -58,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.687 117.4 25.3 -90.7 -21.3 35.0 25.7 9.0 130 134 A A T <4 S+ 0 0 36 -3,-2.5 2,-0.5 1,-0.2 -2,-0.2 0.590 126.5 48.4-113.1 -22.0 35.0 29.2 10.3 131 135 A V S < S- 0 0 0 -4,-2.6 -1,-0.2 -58,-0.1 2,-0.1 -0.960 76.4-148.0-127.0 114.1 31.7 30.4 8.8 132 136 A S >> - 0 0 68 -2,-0.5 4,-1.1 -3,-0.1 3,-0.7 -0.422 23.5-119.9 -79.4 154.1 28.6 28.3 9.1 133 137 A K G >4 S+ 0 0 137 1,-0.3 3,-0.5 2,-0.2 4,-0.2 0.880 114.6 60.3 -57.7 -37.8 25.9 28.2 6.4 134 138 A G G >4 S+ 0 0 59 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.834 96.9 58.4 -60.4 -34.6 23.5 29.4 9.1 135 139 A E G <4 S+ 0 0 66 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 114.8 35.9 -66.2 -33.7 25.5 32.6 9.6 136 140 A V G << S+ 0 0 15 -4,-1.1 -1,-0.2 -3,-0.5 2,-0.2 0.179 92.1 120.7-105.0 18.4 25.1 33.6 5.9 137 141 A A S < S+ 0 0 46 -3,-1.0 63,-0.1 1,-0.2 -3,-0.0 -0.581 79.5 4.9 -84.9 144.7 21.5 32.2 5.5 138 142 A Q S S- 0 0 162 -2,-0.2 62,-0.5 1,-0.1 -1,-0.2 0.920 89.5-165.7 49.4 49.7 18.6 34.6 4.4 139 143 A P E -f 200 0B 14 0, 0.0 2,-0.3 0, 0.0 62,-0.2 -0.352 5.8-164.6 -67.7 145.2 21.1 37.5 4.0 140 144 A K E -f 201 0B 33 60,-2.3 62,-2.8 -2,-0.0 63,-1.3 -0.918 6.6-143.5-130.4 156.4 19.7 40.9 3.7 141 145 A A E -fg 203 173B 0 31,-2.3 33,-3.2 -2,-0.3 2,-0.4 -0.840 1.5-149.9-119.8 156.5 21.1 44.3 2.6 142 146 A V E -fg 204 174B 6 61,-2.1 63,-2.8 -2,-0.3 2,-0.6 -0.998 10.2-166.0-126.1 126.6 20.6 47.8 3.7 143 147 A Y E -fg 205 175B 0 31,-3.7 33,-2.5 -2,-0.4 2,-1.0 -0.930 4.1-164.1-118.0 104.9 21.0 50.6 1.1 144 148 A I E -fg 206 176B 0 61,-3.1 63,-2.5 -2,-0.6 2,-0.8 -0.806 14.0-165.0 -92.0 103.3 21.3 54.1 2.6 145 149 A D E +fg 207 177B 7 31,-2.2 33,-2.2 -2,-1.0 63,-0.2 -0.817 23.5 164.3 -95.5 108.9 20.5 56.3 -0.4 146 150 A T S S+ 0 0 7 61,-2.3 62,-0.3 -2,-0.8 -1,-0.1 0.522 76.5 50.5-100.0 -6.8 21.6 59.9 0.1 147 151 A E S S- 0 0 71 60,-1.0 61,-0.1 64,-0.0 -1,-0.1 0.696 103.1-119.8-102.2 -26.0 21.4 60.8 -3.6 148 152 A G S S+ 0 0 20 30,-0.1 29,-0.1 3,-0.0 -2,-0.0 0.708 78.2 119.7 89.5 24.1 18.0 59.5 -4.6 149 153 A T + 0 0 50 58,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.168 24.5 127.7-109.3 19.1 19.4 57.1 -7.2 150 154 A F - 0 0 32 57,-0.1 25,-0.0 -7,-0.1 -42,-0.0 -0.614 40.3-167.8 -72.2 134.3 18.3 53.8 -5.9 151 155 A R >> - 0 0 116 -2,-0.3 4,-1.4 1,-0.1 3,-0.6 -0.903 20.6-169.6-132.0 104.4 16.6 52.1 -8.9 152 156 A P H 3> S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.803 90.1 61.1 -61.2 -27.5 14.5 49.0 -8.3 153 157 A E H 3> S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.890 103.0 50.3 -65.6 -39.1 14.2 48.4 -12.1 154 158 A R H <> S+ 0 0 33 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.858 108.7 52.5 -67.5 -34.6 18.0 48.1 -12.2 155 159 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.955 110.3 48.0 -64.0 -49.4 17.9 45.6 -9.4 156 160 A M H X S+ 0 0 79 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.916 113.7 47.4 -55.8 -47.7 15.3 43.5 -11.3 157 161 A Q H X S+ 0 0 80 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.928 112.8 46.4 -62.7 -49.5 17.4 43.7 -14.5 158 162 A M H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.913 113.6 50.8 -60.4 -42.1 20.7 42.7 -12.9 159 163 A A H >X>S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.2 3,-0.6 0.932 108.3 52.2 -60.9 -46.8 18.9 39.9 -11.1 160 164 A E H ><5S+ 0 0 138 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.947 109.4 47.8 -55.3 -52.8 17.4 38.6 -14.3 161 165 A H H 3<5S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.721 109.6 54.7 -63.3 -20.4 20.7 38.4 -16.1 162 166 A A H <<5S- 0 0 39 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.474 116.6-114.5 -90.4 -4.4 22.2 36.7 -13.1 163 167 A G T <<5S+ 0 0 66 -3,-1.8 2,-0.3 -4,-0.5 -3,-0.2 0.686 77.8 115.3 80.9 17.5 19.6 34.0 -13.2 164 168 A I S - 0 0 98 -2,-0.3 4,-1.1 1,-0.1 3,-0.4 -0.576 27.8-159.3 -75.4 114.6 14.7 36.3 -8.8 166 170 A G H >> S+ 0 0 6 -2,-0.6 4,-2.1 1,-0.2 3,-0.5 0.876 91.1 54.7 -59.9 -42.0 14.5 40.1 -8.8 167 171 A Q H 3> S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.854 103.0 58.7 -61.9 -33.1 11.6 40.4 -6.5 168 172 A T H 3> S+ 0 0 53 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.843 104.9 49.9 -63.8 -34.5 13.6 38.3 -3.9 169 173 A V H X< S+ 0 0 0 -4,-1.1 3,-0.9 -3,-0.5 -2,-0.2 0.963 112.0 47.1 -68.2 -50.1 16.3 40.9 -4.0 170 174 A L H >< S+ 0 0 46 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.875 110.0 53.9 -57.5 -39.8 13.8 43.7 -3.4 171 175 A D H 3< S+ 0 0 104 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.745 114.3 41.3 -68.7 -23.2 12.2 41.7 -0.6 172 176 A N T << S+ 0 0 28 -4,-1.0 -31,-2.3 -3,-0.9 2,-0.4 0.153 99.6 83.4-112.2 20.7 15.5 41.3 1.1 173 177 A T E < -g 141 0B 16 -3,-1.1 2,-0.5 -33,-0.2 -31,-0.2 -0.989 61.9-154.1-125.2 125.3 17.0 44.8 0.6 174 178 A F E -g 142 0B 67 -33,-3.2 -31,-3.7 -2,-0.4 2,-0.4 -0.867 11.5-163.0 -98.8 128.5 16.1 47.7 2.9 175 179 A V E -g 143 0B 65 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.931 7.8-173.7-115.9 135.5 16.4 51.2 1.4 176 180 A A E -g 144 0B 18 -33,-2.5 -31,-2.2 -2,-0.4 2,-0.7 -0.984 15.9-146.6-129.1 118.0 16.5 54.4 3.4 177 181 A R E -g 145 0B 87 -2,-0.5 2,-0.4 -33,-0.2 -31,-0.2 -0.774 18.1-167.3 -87.7 115.0 16.4 57.7 1.7 178 182 A A - 0 0 0 -33,-2.2 3,-0.1 -2,-0.7 -30,-0.1 -0.893 15.7-172.6-105.9 133.4 18.6 60.2 3.6 179 183 A Y S S+ 0 0 158 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.447 71.0 11.2-102.9 -3.5 18.4 63.9 2.8 180 184 A N S > S- 0 0 47 1,-0.0 4,-2.4 35,-0.0 5,-0.1 -0.956 85.9 -90.4-160.8 173.8 21.2 65.1 5.0 181 185 A S H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.810 119.8 58.4 -64.5 -31.2 24.1 63.8 7.1 182 186 A D H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 111.4 39.9 -64.0 -48.2 22.0 63.6 10.3 183 187 A M H > S+ 0 0 61 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.912 114.2 55.0 -65.4 -44.2 19.5 61.1 8.6 184 188 A Q H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.948 113.1 41.3 -53.9 -51.6 22.4 59.3 6.9 185 189 A M H X S+ 0 0 7 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.854 114.5 51.0 -67.0 -37.4 24.2 58.8 10.2 186 190 A L H X S+ 0 0 77 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.942 107.8 52.0 -66.6 -47.9 21.0 57.9 12.2 187 191 A F H < S+ 0 0 58 -4,-2.9 4,-0.5 1,-0.2 3,-0.2 0.904 109.5 51.4 -53.7 -43.9 19.9 55.3 9.6 188 192 A A H >< S+ 0 0 2 -4,-1.7 3,-0.8 -5,-0.3 4,-0.3 0.875 109.7 48.7 -62.3 -38.2 23.3 53.7 9.9 189 193 A E H >< S+ 0 0 78 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.740 106.3 59.2 -73.5 -22.1 23.0 53.6 13.7 190 194 A K T >X S+ 0 0 105 -4,-1.7 4,-1.3 -3,-0.2 3,-0.8 0.547 80.4 85.1 -84.4 -5.6 19.6 52.0 13.3 191 195 A I H <> S+ 0 0 2 -3,-0.8 4,-1.9 -4,-0.5 -1,-0.2 0.870 82.1 61.5 -62.6 -34.8 20.9 49.0 11.3 192 196 A E H <> S+ 0 0 54 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.3 0.825 100.6 55.6 -60.1 -31.0 21.6 47.3 14.7 193 197 A D H <> S+ 0 0 69 -3,-0.8 4,-1.5 -4,-0.2 -1,-0.2 0.900 103.1 53.1 -68.9 -41.8 17.9 47.5 15.3 194 198 A L H <>S+ 0 0 36 -4,-1.3 5,-1.8 1,-0.2 3,-0.2 0.915 109.7 49.5 -59.3 -42.5 17.0 45.7 12.1 195 199 A I H ><5S+ 0 0 38 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.881 107.4 52.9 -65.1 -39.0 19.4 42.9 13.1 196 200 A Q H 3<5S+ 0 0 91 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 102.0 61.9 -67.3 -24.8 17.8 42.7 16.6 197 201 A E T 3<5S- 0 0 132 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.443 131.6 -93.0 -79.4 0.4 14.5 42.3 14.9 198 202 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.6 1,-0.3 -3,-0.2 0.620 80.8 138.0 99.6 14.5 15.7 39.2 13.3 199 203 A N < - 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