==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE BINDING PROTEIN 02-AUG-07 2QTF . COMPND 2 MOLECULE: GTP-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR H.WU,L.SUN,S.J.BROUNS,S.FU,Z.RAO,J.VAN DER OOST . 311 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 1 0 0 2 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 1 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 M 0 0 173 0, 0.0 24,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 170.0 36.8 66.5 9.1 2 2 A K E -a 25 0A 84 22,-0.7 24,-3.4 1,-0.1 2,-0.3 -0.371 360.0-147.9 -69.3 139.7 34.9 65.2 12.3 3 3 A T E -a 26 0A 30 22,-0.2 56,-1.4 -2,-0.1 55,-1.1 -0.793 13.4-164.5-108.4 142.9 36.6 66.0 15.5 4 4 A A E -ab 27 59A 0 22,-2.9 24,-3.3 -2,-0.3 25,-1.1 -0.977 22.0-144.6-128.9 147.3 36.4 63.7 18.5 5 5 A A E -ab 29 60A 0 54,-2.2 56,-2.9 -2,-0.4 2,-0.5 -0.951 33.1-155.4 -95.1 123.6 37.1 64.0 22.2 6 6 A L E -ab 30 61A 0 23,-3.1 25,-2.6 -2,-0.5 2,-0.5 -0.903 15.6-165.3-110.6 125.9 38.4 60.4 23.2 7 7 A F E +ab 31 62A 10 54,-2.5 56,-3.5 -2,-0.5 2,-0.3 -0.956 32.2 143.4-101.9 124.6 38.3 58.9 26.6 8 8 A V - 0 0 0 23,-2.4 56,-0.1 -2,-0.5 5,-0.1 -0.990 50.3-105.9-158.7 146.6 40.5 55.8 26.8 9 9 A S > - 0 0 30 54,-0.3 4,-1.3 -2,-0.3 3,-0.4 -0.320 37.2-114.8 -70.7 160.5 42.9 54.0 29.2 10 10 A K T 4 S+ 0 0 125 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.854 116.8 62.5 -67.7 -26.2 46.7 54.3 28.5 11 11 A E T 4 S+ 0 0 158 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.892 116.0 28.6 -62.3 -43.0 46.7 50.6 27.8 12 12 A F T > S+ 0 0 91 -3,-0.4 4,-3.3 1,-0.2 5,-0.3 0.467 92.1 101.9 -96.9 -3.8 44.3 51.1 24.9 13 13 A E H X S+ 0 0 35 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.854 81.7 44.2 -55.1 -48.3 45.1 54.6 23.8 14 14 A E H > S+ 0 0 143 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.931 117.8 46.1 -64.8 -45.5 47.3 53.9 20.7 15 15 A E H > S+ 0 0 41 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.934 112.8 50.5 -60.9 -50.0 44.9 51.2 19.4 16 16 A A H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.870 106.6 54.8 -57.3 -41.7 41.8 53.5 20.1 17 17 A I H X S+ 0 0 41 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.955 109.4 46.2 -53.4 -48.4 43.4 56.4 18.2 18 18 A A H X S+ 0 0 20 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.893 113.4 50.9 -69.4 -36.3 43.9 54.2 15.1 19 19 A L H X S+ 0 0 7 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.919 110.2 48.7 -60.7 -47.3 40.3 52.9 15.5 20 20 A V H ><>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 3,-0.7 0.917 110.8 49.8 -62.2 -40.9 38.8 56.4 15.7 21 21 A E H ><5S+ 0 0 112 -4,-2.5 3,-2.3 -5,-0.2 -1,-0.2 0.896 105.7 58.2 -67.9 -28.5 40.8 57.6 12.7 22 22 A G H 3<5S+ 0 0 17 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.687 102.0 55.9 -72.3 -15.0 39.4 54.4 10.8 23 23 A A T <<5S- 0 0 0 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.173 126.2-106.5 -95.2 15.5 36.0 55.8 11.6 24 24 A N T < 5S+ 0 0 69 -3,-2.3 -22,-0.7 1,-0.2 2,-0.4 0.786 77.4 130.7 67.1 31.4 37.0 59.1 9.8 25 25 A Y E < -a 2 0A 2 -5,-1.8 2,-0.5 -24,-0.1 -22,-0.2 -0.924 53.7-137.1-110.8 146.1 37.4 61.2 13.0 26 26 A K E -a 3 0A 126 -24,-3.4 -22,-2.9 -2,-0.4 2,-0.8 -0.883 23.6-131.4 -90.7 125.8 40.3 63.4 14.0 27 27 A V E +a 4 0A 26 -2,-0.5 -22,-0.2 -24,-0.2 3,-0.1 -0.731 33.1 171.1 -81.5 111.6 41.1 62.9 17.7 28 28 A T E + 0 0 66 -24,-3.3 2,-0.3 -2,-0.8 -23,-0.2 0.609 63.1 14.0-103.2 -13.6 41.4 66.4 19.1 29 29 A S E -a 5 0A 29 -25,-1.1 -23,-3.1 2,-0.0 2,-0.4 -0.965 62.5-160.6-153.2 159.9 41.6 65.7 22.8 30 30 A I E +a 6 0A 65 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.999 9.2 177.1-142.2 134.1 42.3 62.6 24.8 31 31 A Y E -a 7 0A 69 -25,-2.6 -23,-2.4 -2,-0.4 -2,-0.0 -0.960 32.8-109.7-135.7 151.2 41.6 61.9 28.5 32 32 A K - 0 0 133 -2,-0.3 -23,-0.2 -25,-0.2 3,-0.1 -0.284 51.7 -85.9 -64.0 164.1 42.1 58.8 30.6 33 33 A L - 0 0 40 -26,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.394 59.8 -89.6 -64.1 150.8 38.9 56.9 31.7 34 34 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -25,-0.0 -0.442 26.8-137.2 -66.6 139.9 37.5 58.4 34.8 35 35 A K S S+ 0 0 209 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.974 102.1 20.2 -54.3 -57.0 38.9 56.9 38.1 36 36 A S S S- 0 0 90 -3,-0.0 -1,-0.3 6,-0.0 3,-0.1 -0.890 96.4-136.7-118.7 100.8 35.4 56.8 39.6 37 37 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.172 22.0-106.6 -59.2 143.8 32.9 57.0 36.8 38 38 A N B > -D 42 0B 39 4,-2.8 4,-2.4 1,-0.1 5,-0.1 -0.543 23.3-135.4 -73.4 134.0 29.9 59.3 37.2 39 39 A V T 4 S+ 0 0 100 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.849 100.7 27.8 -62.4 -36.2 26.7 57.3 37.8 40 40 A K T 4 S+ 0 0 105 3,-0.1 33,-0.4 1,-0.1 34,-0.3 0.887 137.2 21.4 -87.3 -45.8 24.7 59.3 35.4 41 41 A F T 4 S- 0 0 10 2,-0.2 2,-3.2 1,-0.2 -2,-0.2 0.384 79.0-145.5-112.2 -1.3 27.1 60.6 32.9 42 42 A Y B < S+D 38 0B 23 -4,-2.4 -4,-2.8 -5,-0.1 -1,-0.2 -0.290 85.0 60.2 66.8 -69.1 30.1 58.3 33.1 43 43 A I S S- 0 0 0 -2,-3.2 -2,-0.2 -6,-0.2 -3,-0.1 -0.406 112.2 -76.4 -76.8 171.3 32.5 61.1 32.4 44 44 A Q > - 0 0 79 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.333 37.6-124.5 -74.3 147.0 32.6 64.1 34.8 45 45 A Y H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.898 108.6 51.1 -62.6 -39.2 29.8 66.6 34.5 46 46 A D H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 109.9 49.7 -67.8 -41.0 31.9 69.6 34.0 47 47 A K H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 109.3 53.5 -59.0 -41.3 33.9 67.9 31.1 48 48 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.905 108.0 50.6 -59.5 -38.7 30.6 66.9 29.6 49 49 A Q H X S+ 0 0 38 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.898 108.7 51.5 -68.6 -37.3 29.5 70.6 29.7 50 50 A Q H < S+ 0 0 99 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.946 113.4 43.3 -63.9 -49.1 32.7 71.7 28.0 51 51 A I H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.938 109.6 57.7 -63.1 -41.1 32.2 69.2 25.2 52 52 A K H 3< S+ 0 0 51 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.9 36.1 -51.7 -42.0 28.5 70.0 24.8 53 53 A N T 3< S+ 0 0 122 -4,-1.8 2,-0.9 -5,-0.1 -1,-0.2 0.341 90.0 102.9 -98.6 2.0 29.5 73.7 24.2 54 54 A D X - 0 0 60 -3,-1.2 3,-2.1 -4,-0.5 -1,-0.0 -0.783 51.8-164.9 -96.7 106.7 32.6 73.3 22.2 55 55 A E T 3 S+ 0 0 196 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.677 86.7 62.5 -67.1 -19.5 31.9 74.0 18.6 56 56 A E T 3 S+ 0 0 153 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.280 92.9 72.0 -84.6 6.1 35.1 72.4 17.5 57 57 A I < + 0 0 10 -3,-2.1 -53,-0.1 -6,-0.2 -3,-0.1 -0.978 51.5 173.7-123.1 113.4 34.2 68.9 18.9 58 58 A S + 0 0 43 -55,-1.1 24,-0.8 -2,-0.5 2,-0.4 0.735 63.9 28.5 -88.1 -21.1 31.5 67.1 16.9 59 59 A T E -bc 4 82A 4 -56,-1.4 -54,-2.2 22,-0.2 2,-0.5 -0.994 58.3-143.1-150.8 138.7 31.6 63.8 18.8 60 60 A L E -bc 5 83A 0 22,-2.9 24,-2.4 -2,-0.4 2,-0.5 -0.874 22.7-170.3 -98.4 127.4 32.3 62.2 22.2 61 61 A I E -bc 6 84A 0 -56,-2.9 -54,-2.5 -2,-0.5 2,-0.5 -0.985 5.8-171.0-122.2 125.2 34.0 58.8 22.0 62 62 A I E -b 7 0A 0 22,-2.5 2,-2.0 -2,-0.5 24,-0.3 -0.954 18.3-145.4-114.5 116.2 34.4 56.6 25.1 63 63 A F S S+ 0 0 14 -56,-3.5 -54,-0.3 -2,-0.5 2,-0.3 -0.433 74.0 69.5 -82.7 70.9 36.5 53.6 24.6 64 64 A E S S- 0 0 86 -2,-2.0 22,-2.7 -56,-0.1 2,-0.7 -0.910 95.8 -87.0-160.7 173.5 34.5 51.3 26.9 65 65 A Q - 0 0 102 -2,-0.3 2,-0.2 20,-0.2 -2,-0.1 -0.854 47.1-144.7 -95.1 121.2 31.1 49.7 26.8 66 66 A L - 0 0 8 -2,-0.7 19,-0.1 -4,-0.1 21,-0.0 -0.548 10.5-122.5 -84.8 140.6 28.5 52.2 28.2 67 67 A K >> - 0 0 104 -2,-0.2 4,-2.0 1,-0.1 3,-0.6 -0.463 30.4-108.2 -67.7 153.6 25.5 51.2 30.2 68 68 A P H 3> S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.856 118.5 56.4 -53.3 -41.1 22.2 52.2 28.9 69 69 A R H 3> S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 105.7 54.5 -67.6 -29.8 21.6 54.9 31.6 70 70 A H H <> S+ 0 0 11 -3,-0.6 4,-3.0 1,-0.2 5,-0.3 0.948 108.1 48.0 -62.7 -49.3 24.9 56.5 30.5 71 71 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.908 111.3 51.0 -53.5 -46.8 23.7 56.7 26.9 72 72 A I H X S+ 0 0 44 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.956 116.4 39.4 -57.6 -45.9 20.4 58.2 28.0 73 73 A N H X S+ 0 0 21 -4,-2.2 4,-2.0 -33,-0.4 -2,-0.2 0.929 117.6 47.4 -75.8 -45.8 22.0 60.9 30.2 74 74 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 -34,-0.3 -1,-0.2 0.911 111.6 50.6 -58.6 -46.6 25.0 61.7 27.8 75 75 A R H X>S+ 0 0 81 -4,-2.5 4,-0.7 -5,-0.3 5,-0.6 0.853 109.8 51.7 -65.2 -36.3 22.8 62.0 24.7 76 76 A R H ><5S+ 0 0 118 -4,-1.5 3,-1.3 -5,-0.3 -2,-0.2 0.981 112.6 43.9 -60.8 -50.3 20.4 64.3 26.5 77 77 A E H 3<5S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.831 108.2 58.0 -63.0 -34.5 23.2 66.7 27.6 78 78 A L H ><5S- 0 0 3 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.3 0.627 89.4-156.7 -79.1 -14.3 24.9 66.6 24.2 79 79 A K T <<5S- 0 0 178 -3,-1.3 2,-0.5 -4,-0.7 -3,-0.1 0.901 76.0 -14.6 45.9 68.2 21.8 67.9 22.6 80 80 A G T 3 - 0 0 0 -2,-0.5 4,-2.7 -24,-0.2 5,-0.2 -0.297 49.5 -79.8 -95.7-166.2 31.1 53.9 22.9 86 86 A K H > S+ 0 0 53 -22,-2.7 4,-1.9 -24,-0.3 5,-0.2 0.900 131.0 47.3 -68.3 -35.7 33.5 51.1 21.9 87 87 A I H > S+ 0 0 1 -23,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.933 114.6 44.3 -64.7 -54.1 30.7 49.0 20.2 88 88 A L H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.852 111.9 55.6 -64.8 -32.5 29.2 51.9 18.3 89 89 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.921 110.0 43.5 -63.3 -48.9 32.7 53.1 17.2 90 90 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.903 111.6 54.3 -68.4 -35.8 33.6 49.7 15.7 91 91 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.890 107.1 52.3 -62.7 -38.0 30.1 49.5 14.1 92 92 A E H X S+ 0 0 25 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.940 107.9 51.0 -57.1 -45.7 30.9 53.0 12.5 93 93 A I H X S+ 0 0 6 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.938 112.6 47.2 -55.6 -44.9 34.3 51.6 11.1 94 94 A F H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.7 0.938 109.2 52.2 -65.4 -46.2 32.4 48.7 9.6 95 95 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.2 49.9 -58.0 -39.5 29.7 50.9 8.1 96 96 A L H 3< S+ 0 0 27 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.741 118.3 38.4 -74.8 -20.3 32.4 53.1 6.4 97 97 A H H << S+ 0 0 18 -4,-1.3 2,-0.4 -3,-0.7 -2,-0.2 0.588 94.1 95.8-106.6 -9.2 34.2 50.0 5.0 98 98 A A < + 0 0 0 -4,-1.7 111,-0.1 -5,-0.2 112,-0.1 -0.654 33.0 164.7 -86.1 131.9 31.2 47.8 4.0 99 99 A G + 0 0 50 -2,-0.4 2,-0.2 110,-0.2 -1,-0.1 0.507 51.3 91.1-117.3 -5.6 30.0 48.0 0.4 100 100 A S S > S- 0 0 14 1,-0.1 4,-2.3 108,-0.1 5,-0.1 -0.537 74.5-130.6 -91.6 155.8 27.9 44.8 0.3 101 101 A K H > S+ 0 0 146 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.908 107.5 54.0 -68.4 -39.9 24.2 44.6 1.2 102 102 A E H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 110.2 46.4 -62.2 -40.3 24.7 41.6 3.6 103 103 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.931 110.9 52.6 -72.5 -41.8 27.3 43.6 5.6 104 104 A K H X S+ 0 0 91 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.865 110.7 48.1 -58.5 -40.5 25.1 46.7 5.7 105 105 A M H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.855 110.6 50.0 -63.7 -42.4 22.2 44.6 7.0 106 106 A Q H X S+ 0 0 27 -4,-1.9 4,-2.3 2,-0.2 99,-0.2 0.854 112.4 49.0 -66.9 -36.0 24.4 42.9 9.7 107 107 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.936 112.9 45.2 -67.0 -44.4 25.7 46.4 10.8 108 108 A E H X S+ 0 0 55 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.919 112.0 53.3 -66.6 -40.3 22.2 47.8 11.0 109 109 A L H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.947 110.8 47.1 -55.1 -49.9 21.0 44.6 12.9 110 110 A A H X S+ 0 0 14 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.879 111.5 50.2 -62.8 -42.2 23.8 45.1 15.5 111 111 A R H X S+ 0 0 86 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.915 112.3 47.7 -60.5 -47.7 23.0 48.8 15.9 112 112 A L H X S+ 0 0 21 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.919 111.4 49.7 -57.3 -47.2 19.3 48.0 16.5 113 113 A K H < S+ 0 0 102 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.894 109.9 52.8 -62.4 -36.8 20.0 45.3 19.0 114 114 A Y H X S+ 0 0 25 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.795 106.8 52.1 -68.6 -29.3 22.3 47.6 20.8 115 115 A E H X S+ 0 0 34 -4,-1.4 4,-2.3 -3,-0.2 -1,-0.2 0.733 90.5 78.5 -77.4 -26.9 19.7 50.3 21.1 116 116 A L H X S+ 0 0 25 -4,-1.2 4,-2.5 -3,-0.4 5,-0.2 0.901 93.1 47.8 -52.0 -48.7 17.0 48.0 22.6 117 117 A P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.841 112.8 52.6 -62.3 -29.6 18.5 48.0 26.2 118 118 A I H X S+ 0 0 6 -4,-0.5 4,-1.0 -3,-0.2 -2,-0.2 0.950 110.4 44.4 -68.6 -47.8 18.7 51.8 25.9 119 119 A I H >< S+ 0 0 27 -4,-2.3 3,-0.7 2,-0.2 -1,-0.2 0.923 111.1 54.9 -60.4 -44.0 15.0 52.1 24.9 120 120 A K H 3< S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.899 109.0 48.5 -59.3 -41.8 13.9 49.7 27.6 121 121 A E H 3< 0 0 119 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.670 360.0 360.0 -66.2 -20.5 15.7 51.9 30.2 122 122 A T << 0 0 128 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.782 360.0 360.0 -79.3 360.0 14.0 55.0 28.7 123 ! 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 0.0 124 144 A S > 0 0 132 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.4 5.6 51.2 21.2 125 145 A T H > + 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 360.0 55.3 -69.4 -39.0 9.2 52.2 20.3 126 146 A I H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 108.9 45.3 -57.3 -45.2 10.3 48.8 21.6 127 147 A K H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 109.2 56.4 -69.1 -37.0 8.0 46.9 19.3 128 148 A F H X S+ 0 0 124 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.930 109.7 45.1 -57.4 -48.0 9.0 49.1 16.3 129 149 A Y H X S+ 0 0 62 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.926 110.9 53.5 -63.7 -45.6 12.7 48.2 16.8 130 150 A K H X S+ 0 0 89 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.905 106.3 52.9 -58.4 -39.4 11.9 44.4 17.3 131 151 A R H X S+ 0 0 158 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.891 111.9 45.0 -64.8 -39.5 10.0 44.3 14.1 132 152 A R H X S+ 0 0 101 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.917 113.1 50.0 -65.7 -41.6 12.9 45.8 12.2 133 153 A I H X S+ 0 0 8 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.959 112.4 49.1 -61.3 -45.4 15.4 43.5 13.9 134 154 A N H X S+ 0 0 86 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.931 110.2 50.2 -63.6 -39.1 13.1 40.5 13.0 135 155 A K H X S+ 0 0 105 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.897 111.7 47.1 -56.8 -49.8 12.8 41.6 9.4 136 156 A L H X S+ 0 0 5 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.914 112.0 50.4 -61.2 -47.6 16.6 41.9 9.0 137 157 A M H X S+ 0 0 82 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.950 111.0 50.9 -57.5 -44.6 17.2 38.5 10.6 138 158 A K H X S+ 0 0 161 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.959 113.4 42.8 -51.7 -58.4 14.7 37.0 8.3 139 159 A E H X S+ 0 0 67 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.860 112.4 54.0 -61.6 -34.9 16.3 38.5 5.2 140 160 A L H X S+ 0 0 15 -4,-3.0 4,-2.2 2,-0.2 3,-0.4 0.932 107.9 49.4 -63.9 -43.8 19.8 37.6 6.4 141 161 A E H X S+ 0 0 108 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.881 110.9 51.7 -62.8 -33.5 18.8 33.9 6.9 142 162 A S H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.702 106.2 52.3 -78.4 -21.0 17.4 34.0 3.4 143 163 A I H < S+ 0 0 69 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.870 101.3 63.6 -72.7 -39.7 20.6 35.4 1.9 144 164 A K H < 0 0 155 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.1 0.911 360.0 360.0 -46.4 -49.7 22.4 32.6 3.7 145 165 A I < 0 0 174 -4,-1.2 -3,-0.1 0, 0.0 -4,-0.0 0.609 360.0 360.0 -98.5 360.0 20.5 30.0 1.5 146 ! 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 0.0 147 179 A I 0 0 118 0, 0.0 39,-0.1 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 149.6 40.5 46.7 -14.1 148 180 A P - 0 0 24 0, 0.0 39,-2.9 0, 0.0 2,-0.4 -0.247 360.0-147.2 -65.0 141.5 42.3 44.7 -11.3 149 181 A S E -e 187 0C 10 37,-0.2 69,-1.6 66,-0.1 68,-1.4 -0.924 9.3-166.4-109.7 132.4 41.3 45.4 -7.7 150 182 A I E -ef 188 218C 0 37,-3.4 39,-2.6 -2,-0.4 2,-0.4 -0.974 8.5-154.7-122.1 114.9 43.9 45.2 -5.0 151 183 A G E -ef 189 219C 0 67,-2.4 69,-3.0 -2,-0.5 2,-0.6 -0.725 7.6-141.1 -91.2 138.0 42.6 45.1 -1.4 152 184 A I E +ef 190 220C 2 37,-2.5 39,-1.1 -2,-0.4 2,-0.3 -0.896 30.3 169.9-100.0 122.9 44.7 46.3 1.5 153 185 A V E + f 0 221C 0 67,-2.6 69,-2.6 -2,-0.6 2,-0.2 -0.754 13.2 106.5-127.1 167.2 44.3 44.2 4.7 154 186 A G - 0 0 0 38,-0.3 40,-1.4 -2,-0.3 69,-0.1 -0.657 63.2 -49.7 146.0 168.7 46.1 43.8 8.0 155 187 A Y B > -j 194 0D 28 67,-0.5 3,-1.4 38,-0.2 5,-0.3 -0.210 67.0 -83.3 -67.6 155.9 45.7 44.6 11.7 156 188 A T T 3 S+ 0 0 7 38,-1.9 -1,-0.1 1,-0.3 -137,-0.1 -0.190 116.0 19.7 -47.7 138.5 44.8 47.9 13.1 157 189 A N T 3 S+ 0 0 50 -3,-0.1 -1,-0.3 -139,-0.1 -2,-0.1 0.706 85.2 116.7 68.7 22.6 47.7 50.2 13.4 158 190 A S S < S- 0 0 4 -3,-1.4 67,-0.2 -4,-0.1 100,-0.1 0.596 94.9 -97.9 -91.3 -8.2 49.9 48.3 10.9 159 191 A G S > S+ 0 0 14 -4,-0.2 4,-2.8 63,-0.1 5,-0.2 0.619 76.2 142.4 99.9 22.1 49.9 51.5 8.6 160 192 A K H > S+ 0 0 22 -5,-0.3 4,-2.3 2,-0.2 5,-0.2 0.881 74.8 44.8 -61.5 -43.8 47.1 50.5 6.2 161 193 A T H > S+ 0 0 69 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.930 113.8 51.7 -65.6 -39.1 45.6 54.1 5.8 162 194 A S H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.897 111.5 47.1 -66.7 -39.1 49.2 55.5 5.5 163 195 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.942 113.8 47.2 -66.0 -45.6 49.9 53.0 2.7 164 196 A F H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 6,-0.3 0.947 114.2 47.3 -57.2 -49.3 46.6 53.8 0.9 165 197 A N H X S+ 0 0 54 -4,-3.1 4,-2.3 1,-0.2 5,-0.4 0.881 109.6 53.7 -64.2 -37.1 47.1 57.5 1.2 166 198 A S H < S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.942 113.6 41.0 -63.0 -46.0 50.6 57.2 -0.0 167 199 A L H < S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.854 122.2 40.8 -68.4 -35.1 49.6 55.3 -3.2 168 200 A T H < S- 0 0 16 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.755 99.0-130.7 -91.2 -23.2 46.6 57.4 -3.9 169 201 A G < 0 0 66 -4,-2.3 -3,-0.1 1,-0.3 -4,-0.1 0.517 360.0 360.0 83.0 8.0 48.1 60.7 -3.1 170 202 A L 0 0 92 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.1 -0.521 360.0 360.0 -71.3 360.0 45.0 61.4 -0.9 171 ! 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 0.0 172 214 A M 0 0 129 0, 0.0 3,-0.2 0, 0.0 -76,-0.0 0.000 360.0 360.0 360.0 165.9 33.8 58.5 0.4 173 215 A S + 0 0 58 1,-0.6 2,-0.2 3,-0.1 -76,-0.2 -0.727 360.0 29.8-174.8 133.5 32.9 55.1 1.8 174 216 A P S S- 0 0 38 0, 0.0 2,-0.8 0, 0.0 -1,-0.6 0.712 97.8-125.1 -62.5 156.6 33.8 52.3 1.2 175 217 A K + 0 0 30 15,-0.4 15,-3.1 -79,-0.2 2,-0.4 -0.690 46.2 154.2 -82.3 108.4 37.1 53.7 0.0 176 218 A R E +G 189 0C 114 -2,-0.8 2,-0.4 13,-0.2 13,-0.2 -0.985 12.4 172.7-133.8 128.4 37.9 52.6 -3.5 177 219 A Y E -G 188 0C 88 11,-2.7 11,-2.5 -2,-0.4 2,-0.3 -0.975 22.7-139.4-146.8 125.6 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-2,-0.4 2,-0.4 -0.829 18.1-158.7 -90.0 111.9 41.6 49.9 -8.2 188 230 A L E -eG 150 177C 0 -11,-2.5 -11,-2.7 -2,-0.7 2,-0.5 -0.841 8.1-159.0 -93.0 136.8 42.9 50.1 -4.7 189 231 A V E -eG 151 176C 11 -39,-2.6 -37,-2.5 -2,-0.4 2,-1.2 -0.957 14.7-143.1-125.4 123.3 40.4 49.0 -2.1 190 232 A D E -e 152 0C 13 -15,-3.1 -15,-0.4 -2,-0.5 2,-0.2 -0.745 28.5-170.0 -83.9 95.8 40.5 50.0 1.7 191 233 A T - 0 0 10 -2,-1.2 19,-0.1 -39,-1.1 -93,-0.1 -0.568 33.4 -91.1 -82.1 152.4 39.3 46.8 3.3 192 234 A V - 0 0 2 17,-0.3 -38,-0.3 -95,-0.2 -1,-0.1 -0.275 49.1-113.8 -58.5 146.2 38.4 46.8 7.0 193 235 A G - 0 0 6 -40,-0.1 2,-0.4 1,-0.1 -38,-0.2 -0.323 29.1 -95.3 -73.3 165.6 41.4 45.9 9.3 194 236 A F B -j 155 0D 0 -40,-1.4 -38,-1.9 16,-0.0 2,-0.4 -0.731 50.6-148.8 -73.3 127.9 41.7 42.7 11.4 195 237 A I - 0 0 13 -2,-0.4 3,-0.4 -40,-0.2 2,-0.3 -0.873 2.0-133.2-110.9 139.1 40.5 44.2 14.8 196 238 A R S S+ 0 0 86 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.637 83.6 10.2 -87.2 140.2 41.8 42.9 18.1 197 239 A G S S- 0 0 58 -2,-0.3 -1,-0.2 1,-0.2 0, 0.0 0.924 78.2-165.6 69.5 42.6 39.3 42.1 20.9 198 240 A I - 0 0 35 -3,-0.4 -1,-0.2 1,-0.1 5,-0.1 -0.521 25.1-116.6 -73.6 123.7 36.1 42.3 18.9 199 241 A P > - 0 0 12 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.367 23.0-121.5 -53.7 137.9 33.1 42.5 21.2 200 242 A P G > S+ 0 0 110 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.765 106.9 66.2 -56.0 -34.5 30.9 39.3 20.7 201 243 A Q G 3 S+ 0 0 88 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.704 110.2 36.1 -57.1 -28.6 27.8 41.4 19.8 202 244 A I G <> S+ 0 0 1 -3,-2.1 4,-2.2 1,-0.1 -1,-0.2 0.213 82.9 105.3-114.5 12.3 29.5 42.7 16.6 203 245 A V H <> S+ 0 0 45 -3,-1.1 4,-2.6 -4,-0.3 5,-0.3 0.917 83.5 48.1 -66.2 -38.5 31.5 39.6 15.5 204 246 A D H > S+ 0 0 104 -4,-0.4 4,-2.3 1,-0.2 5,-0.3 0.911 110.7 49.1 -69.3 -41.8 29.1 38.8 12.7 205 247 A A H > S+ 0 0 2 -99,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.881 113.5 50.6 -56.2 -39.2 29.0 42.3 11.4 206 248 A F H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.975 112.3 43.8 -63.0 -56.8 32.8 42.3 11.5 207 249 A F H X S+ 0 0 76 -4,-2.6 4,-2.9 1,-0.2 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