==== 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 VIRAL PROTEIN 23-MAR-09 3GPO . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: CHIKUNGUNYA VIRUS; . AUTHOR H.MALET,S.JAMAL,B.COUTARD,B.CANARD . 640 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.4 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 . 4 0.6 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 . 61 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 4 0 0 6 0 2 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 3 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 4 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 H 0 0 238 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-119.2 11.3 45.0 20.6 2 0 A H - 0 0 101 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.122 360.0-125.4 -53.8 127.8 12.7 44.1 17.1 3 1 A A - 0 0 75 1,-0.0 -1,-0.1 137,-0.0 2,-0.0 -0.640 20.4-131.3 -77.5 112.5 13.7 47.1 15.0 4 2 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 136,-0.2 -0.391 36.7-170.4 -59.8 139.5 11.9 47.1 11.5 5 3 A S - 0 0 44 133,-0.1 136,-2.6 -2,-0.0 2,-0.4 -0.831 26.9-134.4-134.0 164.8 14.6 47.6 8.8 6 4 A Y E +a 141 0A 44 -2,-0.3 2,-0.3 134,-0.2 136,-0.2 -0.989 29.4 171.7-117.6 134.5 15.2 48.3 5.1 7 5 A R E -a 142 0A 79 134,-2.2 136,-3.1 -2,-0.4 2,-0.4 -0.952 20.2-147.4-134.4 155.2 17.8 46.3 3.2 8 6 A V E -a 143 0A 24 -2,-0.3 2,-0.4 134,-0.2 136,-0.2 -0.979 13.6-174.4-120.4 140.7 18.8 46.0 -0.4 9 7 A K E -a 144 0A 21 134,-2.7 136,-1.8 -2,-0.4 2,-1.2 -1.000 22.2-141.9-132.1 134.2 20.1 42.9 -2.1 10 8 A R E +a 145 0A 88 -2,-0.4 2,-0.3 134,-0.2 136,-0.2 -0.769 65.6 93.4 -91.9 88.8 21.4 42.5 -5.6 11 9 A X S S- 0 0 33 -2,-1.2 2,-0.5 134,-0.9 -2,-0.1 -0.976 86.6 -63.2-165.6 170.9 20.0 39.1 -6.5 12 10 A D > - 0 0 38 -2,-0.3 3,-2.7 1,-0.2 -2,-0.1 -0.514 40.5-144.0 -68.9 114.6 17.1 37.3 -8.1 13 11 A I G > S+ 0 0 5 -2,-0.5 3,-1.9 1,-0.3 -1,-0.2 0.737 96.0 70.9 -52.5 -26.4 14.1 38.1 -6.0 14 12 A A G 3 S+ 0 0 4 1,-0.3 -1,-0.3 21,-0.1 -2,-0.1 0.766 95.2 55.1 -64.4 -22.5 12.8 34.5 -6.6 15 13 A K G < S+ 0 0 67 -3,-2.7 -1,-0.3 385,-0.0 -2,-0.2 0.170 84.8 143.0 -94.5 17.8 15.6 33.4 -4.3 16 14 A N < - 0 0 1 -3,-1.9 91,-0.0 1,-0.1 5,-0.0 -0.050 48.0-147.2 -59.8 161.3 14.5 35.7 -1.4 17 15 A D + 0 0 46 3,-0.1 2,-0.1 89,-0.1 -1,-0.1 0.150 61.8 108.2-115.0 14.9 14.6 34.7 2.3 18 16 A E S S- 0 0 18 2,-0.2 88,-0.1 124,-0.1 89,-0.1 -0.442 83.0-105.7 -99.1 168.1 11.5 36.6 3.5 19 17 A E S S+ 0 0 82 -2,-0.1 2,-0.3 1,-0.1 87,-0.2 0.610 99.4 5.6 -70.1 -9.9 8.1 35.5 4.6 20 18 A C - 0 0 0 45,-0.1 87,-2.3 83,-0.0 2,-0.4 -0.986 65.9-130.5-164.3 167.9 6.6 36.7 1.3 21 19 A V E -bc 67 107A 0 45,-1.8 47,-3.4 -2,-0.3 2,-0.5 -0.959 8.5-144.2-129.2 144.5 7.3 38.1 -2.2 22 20 A V E -b 68 0A 0 85,-2.2 2,-0.4 -2,-0.4 47,-0.2 -0.945 18.2-152.3-104.1 124.3 6.0 41.0 -4.2 23 21 A N E -b 69 0A 0 45,-2.9 47,-2.3 -2,-0.5 2,-1.5 -0.792 18.4-130.5 -92.3 137.9 5.8 40.3 -8.0 24 22 A A E -b 70 0A 34 -2,-0.4 12,-0.4 45,-0.1 47,-0.2 -0.721 53.5-173.5 -81.6 91.3 6.0 43.3 -10.3 25 23 A A - 0 0 7 45,-2.6 47,-0.4 -2,-1.5 10,-0.0 -0.244 31.0-125.9 -93.0 171.1 2.9 42.0 -12.1 26 24 A N > - 0 0 27 4,-0.4 3,-1.5 45,-0.1 26,-0.2 -0.795 34.3-111.5-105.3 161.5 0.8 42.7 -15.1 27 25 A P T 3 S+ 0 0 37 0, 0.0 25,-1.3 0, 0.0 44,-0.1 0.625 112.1 54.3 -70.4 -9.8 -2.9 43.3 -14.7 28 26 A R T 3 S- 0 0 194 23,-0.2 23,-0.4 2,-0.1 22,-0.1 0.376 108.4-115.6-103.1 2.6 -4.0 40.0 -16.4 29 27 A G < + 0 0 13 -3,-1.5 21,-0.2 21,-0.3 22,-0.2 0.849 62.9 152.8 64.9 35.4 -1.9 37.6 -14.3 30 28 A L - 0 0 93 20,-0.1 -4,-0.4 1,-0.1 -1,-0.2 -0.682 50.7-108.5 -96.4 148.3 0.2 36.6 -17.2 31 29 A P + 0 0 71 0, 0.0 2,-0.2 0, 0.0 6,-0.1 -0.338 52.2 160.6 -63.0 157.1 3.8 35.3 -17.1 32 30 A G - 0 0 33 1,-0.1 2,-0.1 2,-0.1 8,-0.1 -0.736 36.7 -68.9-153.7-156.5 6.3 37.9 -18.4 33 31 A D S >> S+ 0 0 121 -2,-0.2 4,-0.9 3,-0.1 3,-0.8 -0.267 90.9 19.5 -95.0-174.5 9.9 39.1 -18.4 34 32 A G H >> S- 0 0 50 1,-0.2 4,-1.4 2,-0.2 3,-0.7 -0.147 130.1 -3.9 58.8-139.5 11.9 40.6 -15.6 35 33 A V H 3> S+ 0 0 41 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.898 135.2 54.8 -56.2 -45.9 10.7 39.9 -12.0 36 34 A C H <> S+ 0 0 7 -3,-0.8 4,-2.7 -12,-0.4 -1,-0.3 0.822 102.1 59.4 -60.4 -31.8 7.6 38.2 -13.2 37 35 A K H < + 0 0 27 -4,-3.2 3,-1.3 -5,-0.2 4,-0.3 -0.486 61.0 153.6-121.6 61.9 5.6 29.9 -8.1 44 42 A P G > S+ 0 0 12 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.815 73.6 61.8 -64.5 -27.2 3.4 29.3 -11.2 45 43 A E G > S+ 0 0 38 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.721 88.9 73.5 -66.4 -22.5 0.3 28.3 -9.1 46 44 A S G < S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.3 23,-0.1 0.663 85.1 66.7 -62.3 -15.4 0.5 31.8 -7.6 47 45 A F G X + 0 0 21 -3,-1.7 3,-1.4 -4,-0.3 2,-0.5 0.490 68.9 118.7 -86.2 -2.4 -0.8 33.0 -11.0 48 46 A K T < S- 0 0 109 -3,-1.7 -19,-0.1 1,-0.3 -3,-0.0 -0.503 100.2 -17.8 -65.8 113.4 -4.2 31.3 -10.5 49 47 A N T 3 S+ 0 0 128 -2,-0.5 -1,-0.3 -21,-0.1 -20,-0.1 0.884 94.6 137.8 54.6 40.7 -6.8 34.2 -10.6 50 48 A S < + 0 0 3 -3,-1.4 -21,-0.3 -21,-0.2 -2,-0.1 0.537 25.4 124.9 -92.6 -8.7 -4.0 36.8 -9.9 51 49 A A + 0 0 57 -23,-0.4 -23,-0.2 -4,-0.3 18,-0.0 -0.275 33.2 153.6 -48.6 129.9 -5.5 39.2 -12.5 52 50 A T - 0 0 23 -25,-1.3 -23,-0.2 -26,-0.2 3,-0.1 -0.982 43.1 -83.4-159.9 158.4 -6.1 42.6 -10.8 53 51 A P > - 0 0 80 0, 0.0 3,-1.3 0, 0.0 18,-0.3 -0.167 51.8 -87.9 -71.5 161.2 -6.3 46.2 -11.8 54 52 A V T 3 S+ 0 0 30 1,-0.2 18,-0.2 16,-0.1 3,-0.1 -0.390 115.5 28.0 -57.2 143.5 -3.4 48.6 -12.2 55 53 A G T 3 S+ 0 0 3 16,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.571 107.7 91.4 74.6 14.0 -2.5 50.3 -9.0 56 54 A T < - 0 0 22 -3,-1.3 15,-2.4 15,-0.3 2,-0.3 -0.762 62.2-141.2-127.0 172.7 -3.8 47.4 -6.9 57 55 A A E -D 70 0A 9 -2,-0.2 2,-0.4 13,-0.2 13,-0.2 -0.974 9.4-166.2-135.7 152.4 -2.3 44.3 -5.4 58 56 A K E -D 69 0A 84 11,-2.1 11,-2.6 -2,-0.3 2,-0.4 -0.985 12.2-144.4-144.1 126.5 -3.7 40.8 -5.1 59 57 A T E -D 68 0A 22 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.755 10.8-170.9 -99.1 133.0 -2.3 38.1 -3.0 60 58 A V E -D 67 0A 25 7,-2.5 7,-1.8 -2,-0.4 2,-0.4 -0.989 21.4-134.4-123.7 122.3 -2.3 34.4 -3.9 61 59 A X E -D 66 0A 94 -2,-0.5 2,-0.7 5,-0.2 3,-0.1 -0.595 12.2-165.3 -77.5 126.7 -1.3 31.9 -1.2 62 60 A C E > S-D 65 0A 21 3,-3.4 3,-1.6 -2,-0.4 2,-0.7 -0.809 73.0 -60.0-108.2 85.3 1.1 29.2 -2.2 63 61 A G T 3 S- 0 0 52 -2,-0.7 -2,-0.0 1,-0.3 0, 0.0 -0.700 120.5 -19.6 71.9-113.4 0.6 27.0 0.9 64 62 A T T 3 S+ 0 0 136 -2,-0.7 -1,-0.3 -3,-0.1 -3,-0.0 0.467 122.7 97.0 -97.3 -5.2 1.7 29.3 3.7 65 63 A Y E < - D 0 62A 37 -3,-1.6 -3,-3.4 -45,-0.0 2,-0.3 -0.773 64.3-147.4-100.0 113.9 3.6 31.5 1.3 66 64 A P E - D 0 61A 3 0, 0.0 -45,-1.8 0, 0.0 2,-0.6 -0.583 6.8-164.1 -79.6 133.9 2.0 34.7 0.0 67 65 A V E -bD 21 60A 0 -7,-1.8 -7,-2.5 -2,-0.3 2,-0.8 -0.986 12.4-155.5-111.0 114.4 2.8 36.0 -3.4 68 66 A I E -bD 22 59A 0 -47,-3.4 -45,-2.9 -2,-0.6 2,-0.9 -0.836 3.3-154.0 -92.6 108.3 1.6 39.6 -3.6 69 67 A H E -bD 23 58A 0 -11,-2.6 -11,-2.1 -2,-0.8 2,-0.5 -0.751 15.5-172.9 -83.0 111.1 1.0 40.5 -7.2 70 68 A A E -bD 24 57A 0 -47,-2.3 -45,-2.6 -2,-0.9 2,-0.9 -0.934 11.0-152.5-109.5 128.0 1.4 44.2 -7.4 71 69 A V - 0 0 1 -15,-2.4 -16,-3.2 -2,-0.5 -15,-0.3 -0.824 12.0-171.7-107.4 98.2 0.5 46.0 -10.7 72 70 A G - 0 0 3 -2,-0.9 2,-0.2 -47,-0.4 15,-0.1 -0.405 35.5 -92.2 -74.9 163.2 2.4 49.2 -11.3 73 71 A P - 0 0 0 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.503 28.1-123.0 -76.7 147.8 1.4 51.3 -14.3 74 72 A N >> - 0 0 31 -2,-0.2 4,-2.4 1,-0.1 3,-1.9 -0.826 18.2-154.9 -84.1 111.5 3.0 51.0 -17.7 75 73 A F T 34 S+ 0 0 13 41,-2.8 -1,-0.1 -2,-0.8 42,-0.1 0.529 91.3 69.3 -70.7 -4.5 4.4 54.5 -18.4 76 74 A S T 34 S+ 0 0 85 40,-0.1 -1,-0.3 1,-0.1 41,-0.1 0.758 114.9 27.0 -72.5 -28.9 4.2 53.8 -22.1 77 75 A N T <4 S+ 0 0 133 -3,-1.9 2,-0.3 39,-0.1 -2,-0.2 0.771 115.5 66.3-102.3 -36.7 0.3 53.9 -21.6 78 76 A Y S < S- 0 0 75 -4,-2.4 2,-0.0 1,-0.1 0, 0.0 -0.634 81.2-119.4 -87.2 147.7 -0.1 56.2 -18.6 79 77 A S > - 0 0 66 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.327 35.4-104.4 -71.8 165.0 0.7 59.9 -18.5 80 78 A E H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.905 121.7 47.7 -56.1 -43.7 3.4 61.0 -15.9 81 79 A S H > S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.953 116.9 39.1 -63.7 -53.6 0.6 62.4 -13.7 82 80 A E H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.896 115.8 53.3 -69.9 -36.7 -1.8 59.4 -13.8 83 81 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.863 104.3 55.6 -63.2 -38.0 1.1 56.9 -13.6 84 82 A D H X S+ 0 0 63 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.907 109.3 47.4 -63.8 -39.8 2.6 58.6 -10.5 85 83 A R H X S+ 0 0 184 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.910 113.1 47.2 -65.0 -48.1 -0.8 58.1 -8.8 86 84 A E H X S+ 0 0 53 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.849 111.7 51.1 -63.6 -35.1 -1.1 54.4 -9.8 87 85 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.924 111.0 47.5 -69.9 -44.9 2.4 53.7 -8.8 88 86 A A H X S+ 0 0 16 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.928 113.1 50.5 -55.8 -45.5 1.8 55.2 -5.4 89 87 A A H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.888 105.5 54.4 -65.4 -44.2 -1.4 53.2 -5.1 90 88 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.918 110.9 45.9 -54.8 -46.9 0.2 49.9 -6.0 91 89 A Y H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.883 110.2 54.1 -68.4 -38.2 2.8 50.3 -3.2 92 90 A R H X S+ 0 0 137 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.885 108.9 48.6 -59.2 -39.6 0.0 51.3 -0.8 93 91 A E H X S+ 0 0 79 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.857 108.1 55.2 -69.8 -31.3 -1.9 48.2 -1.6 94 92 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 -2,-0.2 0.960 108.1 48.3 -60.9 -50.1 1.3 46.2 -1.0 95 93 A A H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.880 110.8 51.2 -57.4 -40.4 1.6 47.8 2.5 96 94 A K H X S+ 0 0 115 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.909 112.5 45.6 -64.4 -42.1 -2.1 46.9 3.3 97 95 A E H X S+ 0 0 29 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.934 111.6 51.5 -67.5 -48.0 -1.6 43.3 2.2 98 96 A V H X>S+ 0 0 3 -4,-3.0 5,-1.0 2,-0.2 4,-0.8 0.935 113.7 44.7 -54.7 -48.9 1.7 42.9 4.1 99 97 A T H ><5S+ 0 0 92 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.959 114.8 48.4 -58.6 -52.2 -0.0 44.3 7.2 100 98 A R H 3<5S+ 0 0 131 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.879 108.3 54.4 -53.7 -43.3 -3.1 42.1 6.7 101 99 A L H 3<5S- 0 0 41 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.657 100.4-137.7 -69.9 -16.6 -1.0 39.0 6.1 102 100 A G T <<5 + 0 0 55 -3,-1.2 -3,-0.2 -4,-0.8 -2,-0.1 0.627 43.5 164.9 69.0 14.2 0.8 39.6 9.5 103 101 A V < - 0 0 16 -5,-1.0 -1,-0.2 1,-0.1 3,-0.1 -0.143 39.4-144.9 -66.0 156.1 4.1 38.7 7.8 104 102 A N S S+ 0 0 108 1,-0.2 36,-2.6 35,-0.1 2,-0.3 0.649 79.8 12.1 -96.3 -16.4 7.5 39.6 9.5 105 103 A S E - e 0 140A 16 34,-0.3 2,-0.3 -7,-0.1 -1,-0.2 -0.971 61.5-158.4-154.0 163.2 9.3 40.4 6.3 106 104 A V E - e 0 141A 0 34,-2.0 36,-2.8 -2,-0.3 2,-0.5 -0.989 14.1-140.0-149.7 137.7 8.8 41.0 2.6 107 105 A A E +ce 21 142A 0 -87,-2.3 -85,-2.2 -2,-0.3 36,-0.2 -0.892 32.9 177.7 -97.5 127.1 10.9 40.8 -0.6 108 106 A I E - e 0 143A 0 34,-2.8 36,-2.5 -2,-0.5 2,-0.2 -0.989 19.6-156.2-138.6 137.1 10.1 43.7 -2.9 109 107 A P - 0 0 5 0, 0.0 2,-1.1 0, 0.0 36,-0.1 -0.578 42.6 -88.8 -97.4 170.5 11.3 45.0 -6.3 110 108 A L > - 0 0 12 34,-0.5 3,-1.3 -2,-0.2 4,-0.1 -0.715 50.0-134.9 -80.2 100.7 11.1 48.5 -7.7 111 109 A L T 3 S+ 0 0 1 -2,-1.1 19,-0.1 1,-0.2 -40,-0.1 -0.203 79.4 8.5 -53.0 137.9 7.7 48.6 -9.5 112 110 A S T 3 S+ 0 0 9 1,-0.1 -1,-0.2 -40,-0.1 -37,-0.2 0.676 94.8 109.8 66.1 21.3 7.5 50.1 -13.0 113 111 A T S < S+ 0 0 30 -3,-1.3 9,-0.2 8,-0.1 -2,-0.1 0.402 78.5 35.8-104.2 1.9 11.3 50.5 -13.4 114 112 A G S > S- 0 0 49 -4,-0.1 3,-1.8 8,-0.1 5,-0.4 0.384 131.2 -5.4-118.4-109.9 11.8 47.8 -16.0 115 113 A V T 3 S+ 0 0 103 1,-0.3 3,-0.4 2,-0.1 -81,-0.0 0.737 137.2 50.9 -68.7 -16.6 9.5 46.9 -18.9 116 114 A Y T 3 S+ 0 0 48 1,-0.2 -41,-2.8 -42,-0.1 -1,-0.3 0.311 82.8 95.3 -96.1 8.6 6.9 49.4 -17.5 117 115 A S S X S- 0 0 16 -3,-1.8 3,-1.5 -43,-0.2 -1,-0.2 0.605 85.2-132.5 -75.1 -12.1 9.4 52.3 -17.2 118 116 A G T 3 - 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0 0 40 -3,-0.4 3,-0.1 1,-0.2 -3,-0.1 0.807 69.9 -62.7 57.0 26.6 -31.4 21.7 12.2 601 117 D G T 3 S+ 0 0 79 -5,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.624 109.3 121.5 77.5 16.6 -29.6 20.0 9.3 602 118 D K S < S- 0 0 110 -3,-1.2 2,-0.7 -6,-0.1 -1,-0.2 -0.869 71.8-112.1-112.2 143.4 -31.3 22.0 6.5 603 119 D D + 0 0 95 -2,-0.3 4,-0.2 1,-0.1 3,-0.1 -0.671 43.2 167.2 -67.1 111.8 -29.8 24.3 3.8 604 120 D R > + 0 0 6 -2,-0.7 4,-2.9 -9,-0.2 5,-0.4 0.160 33.5 117.1-119.4 18.4 -31.0 27.7 5.0 605 121 D L H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.944 82.3 41.9 -48.1 -57.6 -28.8 29.9 2.8 606 122 D T H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 115.8 49.1 -62.4 -45.9 -31.7 31.4 1.0 607 123 D Q H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 115.4 42.2 -56.9 -52.4 -33.9 31.8 4.1 608 124 D S H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.913 114.5 50.8 -66.1 -42.3 -31.2 33.5 6.2 609 125 D L H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.4 -1,-0.2 0.916 107.6 54.5 -63.3 -42.9 -30.0 35.7 3.4 610 126 D N H X S+ 0 0 84 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.897 110.2 44.9 -59.6 -41.9 -33.5 36.9 2.7 611 127 D H H X S+ 0 0 33 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.881 111.1 55.1 -66.6 -36.7 -34.0 38.0 6.3 612 128 D L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.936 109.0 47.2 -59.8 -49.9 -30.6 39.6 6.3 613 129 D F H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.927 111.2 49.8 -58.2 -50.6 -31.6 41.7 3.2 614 130 D T H < S+ 0 0 110 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.895 117.8 40.4 -57.9 -44.8 -35.0 42.8 4.6 615 131 D A H >< S+ 0 0 7 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.951 117.7 45.0 -68.8 -50.4 -33.5 43.9 7.9 616 132 D X H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.3 5,-0.2 0.697 94.2 75.9 -76.3 -19.6 -30.3 45.5 6.6 617 133 D D T 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.703 89.1 64.2 -60.5 -17.6 -32.0 47.4 3.7 618 134 D S T < S+ 0 0 88 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.588 97.5 67.8 -81.0 -11.1 -33.2 49.7 6.6 619 135 D T S < S- 0 0 8 -3,-2.1 -41,-0.1 -4,-0.1 -42,-0.0 -0.462 72.0-143.2 -97.4 174.1 -29.6 50.7 7.3 620 136 D D + 0 0 139 -2,-0.1 2,-0.2 -134,-0.1 -3,-0.1 0.094 62.1 119.9-120.1 20.9 -27.2 52.8 5.1 621 137 D A S S- 0 0 0 -5,-0.2 -134,-0.7 -135,-0.1 2,-0.6 -0.496 74.0-109.0 -82.9 152.2 -24.1 50.7 6.1 622 138 D D E -pt 487 587D 84 -36,-2.6 -34,-2.0 -136,-0.2 2,-0.5 -0.751 40.2-152.2 -76.1 119.7 -21.9 48.8 3.7 623 139 D V E -pt 488 588D 1 -136,-3.6 -134,-1.5 -2,-0.6 2,-0.5 -0.856 13.0-169.9-102.7 126.3 -22.8 45.2 4.6 624 140 D V E -pt 489 589D 3 -36,-2.7 -34,-2.4 -2,-0.5 2,-0.4 -0.968 10.4-151.9-119.1 116.1 -20.1 42.6 4.0 625 141 D I E -pt 490 590D 0 -136,-3.1 -134,-2.8 -2,-0.5 2,-0.4 -0.763 9.0-153.4 -89.8 130.3 -21.3 39.0 4.3 626 142 D Y E +p 491 0D 8 -36,-2.3 -34,-0.4 -2,-0.4 2,-0.3 -0.878 21.7 160.8-107.0 135.2 -18.7 36.4 5.4 627 143 D C E -p 492 0D 14 -136,-2.1 -134,-1.0 -2,-0.4 3,-0.0 -0.859 31.9-149.7-138.9 173.5 -18.9 32.7 4.5 628 144 D R + 0 0 177 -2,-0.3 2,-0.4 -136,-0.2 -136,-0.1 0.489 69.5 85.6-123.5 -9.2 -16.5 29.8 4.3 629 145 D D > - 0 0 80 1,-0.1 4,-2.3 -136,-0.1 5,-0.2 -0.806 66.7-141.7-104.6 133.2 -17.9 27.6 1.5 630 146 D K H > S+ 0 0 104 -2,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.888 101.7 47.0 -59.5 -43.8 -17.1 28.1 -2.1 631 147 D E H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.829 110.9 52.4 -69.1 -33.1 -20.5 27.2 -3.4 632 148 D W H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.901 103.5 58.8 -67.9 -38.2 -22.2 29.5 -0.9 633 149 D E H X S+ 0 0 64 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 109.3 44.2 -56.4 -43.6 -20.0 32.4 -1.9 634 150 D K H X S+ 0 0 99 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.941 112.4 50.9 -67.5 -45.6 -21.3 32.1 -5.4 635 151 D K H X S+ 0 0 91 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.902 111.6 46.5 -59.4 -46.4 -24.9 31.7 -4.4 636 152 D I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.893 112.5 51.7 -62.8 -41.0 -24.8 34.8 -2.1 637 153 D S H X S+ 0 0 38 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.936 108.8 51.4 -61.2 -43.0 -23.1 36.7 -4.9 638 154 D E H X S+ 0 0 106 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.944 110.3 47.6 -59.0 -45.7 -25.8 35.7 -7.2 639 155 D A H < S+ 0 0 28 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.849 110.7 51.9 -64.5 -37.2 -28.5 36.9 -4.8 640 156 D I H >< S+ 0 0 24 -4,-2.4 3,-0.9 2,-0.2 -1,-0.2 0.927 113.2 45.3 -61.9 -46.3 -26.7 40.2 -4.3 641 157 D Q H 3< S+ 0 0 151 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 103.2 63.6 -63.8 -45.1 -26.6 40.7 -8.1 642 158 D X T 3< 0 0 174 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.633 360.0 360.0 -57.1 -16.1 -30.2 39.6 -8.5 643 159 D R < 0 0 143 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.628 360.0 360.0-122.5 360.0 -31.2 42.7 -6.5