==== 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 LIGASE 19-AUG-04 1X8X . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.KOBAYASHI,T.TAKIMURA,R.SEKINE,V.P.KELLY,K.KAMATA,K.SAKAMOT . 323 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.1 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 . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 2 1 1 1 1 0 0 1 3 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 159 0, 0.0 27,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 117.6 25.5 13.7 38.9 2 2 A A - 0 0 75 25,-0.1 2,-0.5 28,-0.1 28,-0.3 -0.219 360.0-135.2 -64.9 156.5 22.7 15.4 40.7 3 3 A S - 0 0 66 27,-0.1 24,-0.2 26,-0.1 2,-0.1 -0.969 9.8-134.4-122.4 125.8 19.2 15.5 39.2 4 4 A S - 0 0 27 22,-2.6 4,-0.2 -2,-0.5 3,-0.2 -0.401 1.6-150.5 -73.3 150.3 17.0 18.6 39.1 5 5 A N S > S+ 0 0 90 1,-0.1 4,-2.6 2,-0.1 5,-0.2 0.298 71.8 101.3-102.3 7.4 13.3 18.3 40.1 6 6 A L H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.897 81.8 47.6 -60.0 -43.0 12.2 21.1 37.8 7 7 A I H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 112.7 49.6 -66.0 -41.0 10.8 18.8 35.1 8 8 A K H > S+ 0 0 115 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 110.4 51.0 -61.6 -42.6 9.0 16.7 37.7 9 9 A Q H X S+ 0 0 100 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.879 110.4 48.1 -63.5 -39.0 7.5 19.9 39.1 10 10 A L H <>S+ 0 0 7 -4,-2.1 5,-2.7 1,-0.2 6,-0.3 0.866 108.9 55.0 -69.6 -33.9 6.3 21.0 35.7 11 11 A Q H ><5S+ 0 0 79 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.901 100.8 59.0 -63.6 -39.6 4.9 17.5 35.2 12 12 A E H 3<5S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.865 106.3 48.0 -56.1 -38.3 2.9 17.9 38.4 13 13 A R T 3<5S- 0 0 27 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.473 118.8-115.5 -81.7 -2.9 1.2 21.0 36.9 14 14 A G T < 5S+ 0 0 34 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.771 78.3 128.6 74.1 27.1 0.6 19.0 33.7 15 15 A L < + 0 0 1 -5,-2.7 2,-0.6 -6,-0.1 -4,-0.2 0.279 44.8 85.4 -98.7 11.3 2.9 21.2 31.7 16 16 A V + 0 0 29 -6,-0.3 209,-0.2 -5,-0.2 3,-0.1 -0.921 36.7 159.3-119.5 110.5 5.0 18.5 30.1 17 17 A A S S- 0 0 46 207,-3.0 2,-0.3 -2,-0.6 208,-0.2 0.920 73.9 -7.0 -87.8 -58.9 3.8 16.8 26.9 18 18 A Q E -A 224 0A 81 206,-0.9 206,-2.6 2,-0.0 -1,-0.4 -0.977 61.9-176.8-139.1 151.2 7.1 15.4 25.5 19 19 A V E -A 223 0A 30 -2,-0.3 3,-0.5 204,-0.2 2,-0.5 -0.989 24.8-124.5-149.9 139.9 10.7 15.8 26.6 20 20 A T S S- 0 0 18 202,-2.3 5,-0.2 -2,-0.3 202,-0.2 -0.749 87.6 -15.5 -89.2 129.8 14.0 14.5 25.0 21 21 A D S > S- 0 0 97 -2,-0.5 4,-2.6 3,-0.1 -1,-0.3 0.930 73.4-171.4 43.9 63.5 16.2 12.4 27.3 22 22 A E H > S+ 0 0 68 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.870 79.8 52.4 -53.0 -42.1 14.5 13.5 30.5 23 23 A E H > S+ 0 0 158 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.932 112.7 43.7 -61.8 -45.5 17.1 11.9 32.8 24 24 A A H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.871 114.4 50.6 -67.8 -37.1 20.0 13.6 31.0 25 25 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.933 109.0 50.4 -66.4 -45.3 18.1 17.0 30.9 26 26 A A H X S+ 0 0 6 -4,-2.8 -22,-2.6 1,-0.2 4,-1.1 0.870 111.2 50.0 -60.8 -36.7 17.3 16.8 34.6 27 27 A E H X S+ 0 0 71 -4,-1.7 4,-1.0 -24,-0.2 -1,-0.2 0.894 110.9 48.7 -68.4 -40.3 20.9 16.2 35.3 28 28 A R H >X S+ 0 0 71 -4,-2.1 4,-0.8 1,-0.2 3,-0.5 0.898 107.3 55.3 -65.8 -41.2 22.0 19.1 33.2 29 29 A L H 3< S+ 0 0 6 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.810 106.6 52.3 -61.5 -30.1 19.5 21.4 34.9 30 30 A A H 3< S+ 0 0 40 -4,-1.1 -1,-0.2 -28,-0.3 -2,-0.2 0.749 94.2 70.9 -78.1 -25.1 21.1 20.5 38.2 31 31 A Q H << S- 0 0 114 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.824 118.8 -70.8 -60.6 -32.0 24.6 21.3 37.0 32 32 A G S < S- 0 0 23 -4,-0.8 -1,-0.2 -3,-0.3 2,-0.1 -0.951 74.2 -31.4 161.3-177.1 23.7 25.0 37.0 33 33 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 33,-0.1 -0.439 58.8-165.9 -67.0 134.5 21.7 27.7 35.3 34 34 A I - 0 0 6 -2,-0.1 33,-2.7 -5,-0.1 2,-0.4 -0.814 21.7-116.7-118.9 162.3 21.2 27.1 31.6 35 35 A A E +bc 67 192A 10 156,-0.6 158,-2.1 -2,-0.3 159,-0.6 -0.821 39.3 172.9 -96.2 135.9 20.1 29.3 28.7 36 36 A L E -bc 68 194A 0 31,-2.5 33,-1.6 -2,-0.4 2,-0.3 -0.862 9.8-159.3-134.3 169.6 16.9 28.1 27.1 37 37 A Y E -bc 69 195A 0 157,-1.8 159,-2.4 -2,-0.3 2,-0.3 -0.980 15.5-167.7-151.9 162.7 14.6 29.6 24.4 38 38 A C E -b 70 0A 4 31,-1.7 33,-2.4 -2,-0.3 2,-0.3 -0.968 21.9-140.1-146.8 140.8 11.1 29.5 22.9 39 39 A G E -b 71 0A 4 157,-0.4 2,-0.4 -2,-0.3 33,-0.2 -0.778 10.6-166.0-108.1 154.3 10.2 31.2 19.6 40 40 A F E -b 72 0A 3 31,-2.4 33,-2.7 -2,-0.3 37,-0.1 -0.994 15.1-139.8-137.5 126.6 7.1 33.2 18.7 41 41 A D - 0 0 3 -2,-0.4 2,-1.9 283,-0.3 3,-0.2 -0.688 17.6-123.2 -92.8 143.4 6.1 34.1 15.1 42 42 A P + 0 0 0 0, 0.0 59,-0.1 0, 0.0 58,-0.1 -0.538 54.0 145.5 -80.3 72.0 4.6 37.4 14.0 43 43 A T S S+ 0 0 61 -2,-1.9 2,-0.3 3,-0.1 47,-0.1 0.525 78.0 5.0 -86.2 -7.7 1.5 36.0 12.4 44 44 A A S S- 0 0 16 -3,-0.2 60,-0.1 53,-0.1 -1,-0.0 -0.909 93.3 -88.8-158.9 176.8 -0.3 39.1 13.7 45 45 A D S S+ 0 0 42 -2,-0.3 2,-0.3 -3,-0.1 52,-0.0 0.273 109.5 29.6 -82.6 14.7 0.6 42.3 15.4 46 46 A S S S- 0 0 1 201,-0.0 2,-0.2 204,-0.0 -3,-0.1 -0.981 78.7-116.1-164.1 156.4 0.1 40.6 18.8 47 47 A L - 0 0 1 -2,-0.3 199,-2.4 57,-0.1 200,-0.5 -0.503 33.4-156.0 -91.1 168.2 0.4 37.3 20.5 48 48 A H B >> -F 245 0B 55 197,-0.3 3,-2.5 -2,-0.2 4,-0.8 -0.718 39.8 -72.1-134.1-173.7 -2.7 35.6 22.0 49 49 A L H 3> S+ 0 0 2 195,-1.9 4,-0.6 1,-0.3 3,-0.4 0.753 122.7 68.8 -55.0 -24.9 -3.8 33.0 24.6 50 50 A G H 34 S+ 0 0 51 1,-0.2 -1,-0.3 194,-0.1 178,-0.1 0.757 103.8 43.0 -65.9 -23.0 -2.4 30.3 22.4 51 51 A H H <> S+ 0 0 26 -3,-2.5 4,-1.8 1,-0.1 -1,-0.2 0.610 94.4 85.1 -95.8 -14.5 1.1 31.6 23.1 52 52 A L H X S+ 0 0 0 -4,-0.8 4,-3.0 -3,-0.4 5,-0.3 0.871 81.3 54.1 -58.1 -49.1 0.7 32.2 26.8 53 53 A V H X S+ 0 0 4 -4,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.940 113.6 42.4 -55.8 -50.1 1.5 28.8 28.3 54 54 A P H > S+ 0 0 11 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.904 114.4 52.8 -63.0 -38.9 4.9 28.5 26.6 55 55 A L H X S+ 0 0 1 -4,-1.8 4,-1.1 1,-0.2 3,-0.4 0.923 110.8 45.6 -61.3 -47.0 5.6 32.2 27.4 56 56 A L H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.805 106.4 61.3 -67.6 -28.3 4.8 31.7 31.1 57 57 A C H X S+ 0 0 4 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.828 97.5 57.4 -67.8 -30.3 6.9 28.5 31.0 58 58 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.4 -1,-0.2 0.918 108.8 47.0 -63.5 -40.8 10.0 30.6 30.1 59 59 A K H X S+ 0 0 54 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.859 106.6 56.6 -68.2 -36.0 9.3 32.5 33.3 60 60 A R H X S+ 0 0 20 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.909 109.8 46.7 -62.0 -39.5 8.9 29.3 35.3 61 61 A F H <>S+ 0 0 1 -4,-2.1 5,-2.2 1,-0.2 3,-0.4 0.906 111.4 50.4 -68.7 -40.7 12.4 28.3 34.1 62 62 A Q H ><5S+ 0 0 15 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.876 105.3 57.1 -64.8 -35.8 13.7 31.8 35.0 63 63 A Q H 3<5S+ 0 0 130 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 102.8 55.6 -63.2 -29.6 12.2 31.5 38.4 64 64 A A T 3<5S- 0 0 53 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.437 132.2 -95.3 -81.7 -0.7 14.2 28.3 38.9 65 65 A G T < 5S+ 0 0 26 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.372 83.6 129.0 104.5 -3.6 17.4 30.3 38.1 66 66 A H < - 0 0 8 -5,-2.2 -1,-0.3 -33,-0.1 -31,-0.2 -0.401 59.9-113.0 -85.2 162.4 17.7 29.6 34.3 67 67 A K E -b 35 0A 48 -33,-2.7 -31,-2.5 -2,-0.1 2,-0.3 -0.855 27.5-149.8-101.5 114.4 18.1 32.2 31.6 68 68 A P E -b 36 0A 0 0, 0.0 54,-1.7 0, 0.0 2,-0.5 -0.632 6.7-163.1 -86.9 136.7 15.2 32.6 29.1 69 69 A V E -bd 37 122A 0 -33,-1.6 -31,-1.7 -2,-0.3 2,-0.8 -0.974 6.3-159.6-118.0 114.5 15.7 33.7 25.5 70 70 A A E -bd 38 123A 3 52,-2.3 54,-2.2 -2,-0.5 2,-0.4 -0.855 10.5-164.8 -98.9 109.0 12.5 34.9 23.8 71 71 A L E -bd 39 124A 0 -33,-2.4 -31,-2.4 -2,-0.8 2,-0.5 -0.800 7.0-158.6 -97.7 132.9 12.9 34.7 20.0 72 72 A V E -bd 40 125A 4 52,-2.6 2,-2.0 -2,-0.4 54,-0.8 -0.941 25.4-122.5-108.6 129.2 10.5 36.6 17.7 73 73 A G > + 0 0 0 -33,-2.7 4,-2.2 -2,-0.5 5,-0.1 -0.405 44.0 158.7 -75.3 71.2 10.4 35.1 14.2 74 74 A G T 4 S+ 0 0 5 -2,-2.0 -1,-0.2 1,-0.2 27,-0.1 0.817 87.5 26.1 -60.0 -28.9 11.3 38.1 11.9 75 75 A A T >4 S+ 0 0 9 -3,-0.2 3,-2.1 2,-0.1 4,-0.2 0.845 120.9 51.2 -99.8 -48.3 12.3 35.5 9.3 76 76 A T G >> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-1.7 0.821 102.8 63.7 -61.6 -27.8 10.1 32.5 10.1 77 77 A G G 3< S+ 0 0 12 -4,-2.2 15,-0.4 1,-0.3 -1,-0.3 0.580 98.1 56.3 -71.6 -8.0 7.1 34.8 10.2 78 78 A L G <4 S+ 0 0 29 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.420 115.2 37.3 -99.9 -0.2 7.8 35.4 6.5 79 79 A I T <4 S- 0 0 40 -3,-1.7 -2,-0.2 -4,-0.2 10,-0.2 0.759 100.3-131.0-114.2 -54.3 7.6 31.7 5.7 80 80 A G < - 0 0 9 -4,-2.6 95,-0.2 95,-0.1 -3,-0.1 0.487 11.4-109.6 100.1 120.1 4.9 30.2 7.9 81 81 A D - 0 0 2 1,-0.1 92,-0.1 94,-0.1 91,-0.1 -0.705 25.2-171.5 -83.6 113.8 4.9 27.1 10.2 82 82 A P > + 0 0 6 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.532 33.0 143.7 -81.0 -7.3 2.7 24.4 8.6 83 83 A S T 3 S- 0 0 3 1,-0.3 74,-0.2 74,-0.0 3,-0.1 -0.072 84.3 -21.2 -43.4 114.2 2.9 22.1 11.7 84 84 A F T 3 S+ 0 0 88 72,-2.6 2,-0.4 1,-0.2 -1,-0.3 0.763 104.7 135.2 52.4 31.6 -0.5 20.4 12.2 85 85 A K < - 0 0 76 -3,-2.7 -1,-0.2 71,-0.4 75,-0.1 -0.893 52.5-145.3-109.2 139.9 -2.2 23.1 10.1 86 86 A A S S+ 0 0 62 -2,-0.4 2,-0.3 -3,-0.1 81,-0.2 0.882 77.0 23.7 -71.5 -40.6 -4.7 22.1 7.4 87 87 A A S S- 0 0 69 79,-0.1 81,-0.1 1,-0.1 -1,-0.1 -0.842 93.0 -76.5-129.6 165.2 -3.9 24.9 4.9 88 88 A E - 0 0 83 -2,-0.3 2,-0.2 79,-0.1 -1,-0.1 -0.216 48.5-119.8 -55.0 140.5 -1.2 27.3 3.8 89 89 A R - 0 0 68 -10,-0.2 -1,-0.1 1,-0.1 83,-0.1 -0.580 36.6 -95.6 -82.5 148.1 -0.6 30.3 6.0 90 90 A K - 0 0 174 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.356 35.6-125.3 -63.1 141.1 -1.1 33.7 4.4 91 91 A L - 0 0 110 -3,-0.1 2,-0.2 -11,-0.0 -13,-0.1 -0.805 27.8-160.9 -91.2 122.1 2.1 35.3 3.2 92 92 A N - 0 0 38 -2,-0.6 2,-0.0 -15,-0.4 -49,-0.0 -0.655 23.7 -97.5-100.1 158.8 2.6 38.7 4.7 93 93 A T > - 0 0 73 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.331 24.7-120.7 -73.2 157.3 4.9 41.5 3.4 94 94 A E H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 113.4 54.8 -61.7 -43.7 8.4 42.1 4.8 95 95 A E H > S+ 0 0 137 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.898 112.0 42.7 -57.2 -44.3 7.4 45.7 5.7 96 96 A T H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 112.6 50.7 -71.9 -43.1 4.4 44.5 7.7 97 97 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.890 105.6 58.3 -62.8 -37.0 6.1 41.6 9.5 98 98 A Q H X S+ 0 0 113 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.915 108.5 45.1 -58.6 -43.5 9.0 43.9 10.5 99 99 A E H X S+ 0 0 102 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.902 111.7 52.1 -68.5 -39.4 6.5 46.2 12.3 100 100 A W H X S+ 0 0 54 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.881 104.5 57.2 -63.7 -37.7 4.7 43.2 13.9 101 101 A V H X S+ 0 0 7 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.932 106.3 49.8 -57.4 -46.8 8.1 41.9 15.2 102 102 A D H X S+ 0 0 66 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.897 112.2 46.9 -59.6 -43.6 8.7 45.2 17.0 103 103 A K H X S+ 0 0 85 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.912 114.0 47.2 -67.0 -42.5 5.2 45.1 18.6 104 104 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.904 108.7 54.4 -66.6 -40.4 5.5 41.5 19.7 105 105 A R H X S+ 0 0 106 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.938 111.3 45.7 -58.2 -45.6 9.0 42.0 21.1 106 106 A K H < S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.3 52.9 -67.2 -30.9 7.7 44.8 23.3 107 107 A Q H < S+ 0 0 28 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.845 110.3 48.0 -72.5 -34.6 4.7 42.8 24.3 108 108 A V H >X S+ 0 0 5 -4,-2.3 3,-1.8 1,-0.2 4,-0.5 0.875 95.1 75.0 -73.2 -39.4 6.9 39.9 25.4 109 109 A A G >< S+ 0 0 29 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.830 88.3 55.7 -43.0 -53.4 9.4 41.9 27.5 110 110 A P G 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.729 99.5 64.1 -57.0 -23.2 7.2 42.6 30.6 111 111 A F G <4 S+ 0 0 12 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.706 105.4 46.2 -74.9 -20.5 6.6 38.9 31.0 112 112 A L S << S- 0 0 12 -3,-1.8 2,-0.7 -4,-0.5 8,-0.1 -0.832 85.7-112.1-123.1 160.5 10.3 38.2 31.7 113 113 A D + 0 0 74 -2,-0.3 8,-2.5 6,-0.2 3,-0.3 -0.826 29.0 174.0 -95.4 116.0 13.0 39.8 33.9 114 114 A F S S+ 0 0 81 -2,-0.7 6,-0.1 6,-0.3 -1,-0.1 0.253 77.2 52.5-100.3 8.3 15.7 41.5 31.8 115 115 A D S S+ 0 0 142 1,-0.1 -1,-0.2 4,-0.1 3,-0.1 -0.386 72.3 100.4-143.1 61.3 17.3 43.0 34.9 116 116 A C S > S- 0 0 42 1,-0.5 3,-0.6 -3,-0.3 2,-0.2 -0.124 86.7 -96.1-136.0 37.5 18.0 40.2 37.4 117 117 A G G > S- 0 0 40 1,-0.2 3,-1.8 2,-0.1 -1,-0.5 -0.486 85.1 -11.5 87.1-155.4 21.7 39.4 37.0 118 118 A E G 3 S+ 0 0 178 1,-0.3 -1,-0.2 -2,-0.2 -51,-0.0 0.705 132.0 57.2 -59.5 -22.2 23.3 36.7 34.9 119 119 A N G < S+ 0 0 35 -3,-0.6 -1,-0.3 -52,-0.1 -6,-0.2 0.116 78.1 138.0 -97.2 24.7 19.9 34.9 34.3 120 120 A S < - 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0 0 18 -2,-0.3 3,-2.2 26,-0.2 4,-0.2 -0.146 59.8 -96.0 -65.9 165.9 3.8 24.2 22.2 199 199 A S G > S+ 0 0 38 26,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.777 122.7 57.8 -52.8 -34.1 2.7 20.7 21.6 200 200 A D G 3 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.485 93.3 71.8 -79.6 -0.8 2.8 21.1 17.8 201 201 A Q G <> + 0 0 4 -3,-2.2 4,-2.5 1,-0.2 3,-0.3 0.413 60.5 103.9 -95.9 0.8 6.5 22.0 17.9 202 202 A W H <> S+ 0 0 67 -3,-0.8 4,-2.8 1,-0.2 5,-0.2 0.918 84.3 44.7 -47.8 -57.4 8.1 18.6 18.7 203 203 A G H > S+ 0 0 12 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.824 113.5 49.5 -59.0 -37.2 9.3 18.0 15.1 204 204 A N H > S+ 0 0 7 -3,-0.3 4,-0.9 -4,-0.2 -1,-0.2 0.854 113.5 48.9 -70.0 -35.5 10.7 21.5 14.6 205 205 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 3,-0.3 0.917 109.9 48.5 -70.3 -45.5 12.4 21.2 18.0 206 206 A T H X S+ 0 0 21 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.821 106.6 57.3 -66.6 -30.0 14.0 17.8 17.3 207 207 A S H X S+ 0 0 7 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.854 107.4 50.2 -66.9 -31.6 15.2 19.0 13.9 208 208 A G H X S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.3 -2,-0.2 0.865 108.8 50.7 -71.9 -36.9 17.0 21.7 15.9 209 209 A I H X S+ 0 0 24 -4,-1.7 4,-1.6 2,-0.2 11,-0.2 0.923 113.3 45.3 -65.8 -45.0 18.5 19.1 18.2 210 210 A D H X S+ 0 0 56 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.923 113.9 47.9 -65.9 -44.5 19.8 17.0 15.4 211 211 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.864 108.4 54.8 -66.3 -35.3 21.2 20.0 13.4 212 212 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 6,-1.0 0.887 111.4 46.1 -64.5 -36.7 22.9 21.4 16.5 213 213 A R H X S+ 0 0 119 -4,-1.6 4,-1.4 4,-0.2 -2,-0.2 0.924 115.0 46.2 -69.7 -44.3 24.6 18.0 16.9 214 214 A R H < S+ 0 0 81 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.859 123.0 34.0 -66.6 -38.2 25.6 17.9 13.2 215 215 A L H < S+ 0 0 44 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.896 137.8 13.1 -86.1 -44.4 26.9 21.4 13.0 216 216 A H H < S- 0 0 44 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.425 88.6-125.2-116.4 0.2 28.4 22.0 16.4 217 217 A Q < + 0 0 141 -4,-1.4 2,-0.4 -5,-0.5 -4,-0.2 0.833 64.7 136.3 58.7 34.3 28.6 18.5 18.0 218 218 A N - 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0 0 7 -7,-0.8 -195,-1.9 -2,-0.1 -194,-0.1 -0.860 39.9-154.2-100.7 100.1 -8.1 36.5 23.0 245 245 A W B -F 48 0B 59 -2,-0.9 -197,-0.3 -197,-0.2 6,-0.1 -0.365 21.7-140.5 -77.4 154.8 -5.2 38.8 22.4 246 246 A L S S+ 0 0 6 -199,-2.4 -198,-0.1 -2,-0.1 -1,-0.1 0.559 80.6 96.9 -87.1 -10.7 -2.5 39.8 24.9 247 247 A D >> - 0 0 14 -200,-0.5 4,-2.9 1,-0.1 3,-1.7 -0.722 69.9-148.8 -83.4 118.7 -2.6 43.4 23.5 248 248 A P T 34 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.771 98.3 58.3 -57.3 -29.1 -5.0 45.6 25.7 249 249 A K T 34 S+ 0 0 197 1,-0.1 3,-0.2 3,-0.1 -2,-0.0 0.668 114.0 36.8 -76.6 -17.4 -5.8 47.6 22.6 250 250 A K T <4 S+ 0 0 75 -3,-1.7 2,-0.4 1,-0.4 -1,-0.1 0.797 135.9 17.2 -99.7 -41.2 -7.1 44.4 20.8 251 251 A T S < S- 0 0 5 -4,-2.9 -1,-0.4 -7,-0.1 -2,-0.1 -0.957 89.2-130.8-134.1 110.4 -8.7 42.7 23.8 252 252 A S > - 0 0 51 -2,-0.4 4,-2.8 -3,-0.2 5,-0.2 -0.200 18.3-117.4 -62.5 151.6 -9.3 45.0 26.8 253 253 A P H > S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.879 118.5 54.4 -55.4 -37.6 -8.2 43.9 30.3 254 254 A Y H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.939 110.9 43.0 -61.5 -48.4 -11.9 44.0 31.3 255 255 A K H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.849 113.1 54.3 -65.9 -34.9 -12.8 41.6 28.4 256 256 A F H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.922 108.8 47.2 -64.9 -45.2 -9.7 39.5 29.3 257 257 A Y H X S+ 0 0 14 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.887 109.9 54.2 -64.0 -38.9 -10.8 39.2 32.9 258 258 A Q H X S+ 0 0 84 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.848 101.6 58.9 -64.2 -35.8 -14.3 38.3 31.7 259 259 A F H < S+ 0 0 39 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.909 109.4 43.4 -60.0 -42.5 -12.9 35.5 29.5 260 260 A W H >< S+ 0 0 0 -4,-1.4 3,-1.7 1,-0.2 -1,-0.2 0.846 107.1 58.2 -73.1 -35.7 -11.3 33.8 32.6 261 261 A I H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.847 101.7 59.3 -61.6 -30.6 -14.4 34.3 34.8 262 262 A N T 3< S+ 0 0 136 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.492 77.6 131.2 -77.5 -3.4 -16.3 32.3 32.2 263 263 A T < - 0 0 15 -3,-1.7 37,-0.1 37,-0.1 2,-0.1 -0.227 62.8-113.1 -54.2 134.8 -14.0 29.3 32.6 264 264 A A >> - 0 0 49 1,-0.1 4,-2.2 36,-0.0 3,-1.2 -0.363 18.0-120.3 -69.5 148.3 -15.9 26.0 33.1 265 265 A D H 3> S+ 0 0 100 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.867 113.7 58.8 -56.1 -37.0 -15.7 24.2 36.4 266 266 A A H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.774 116.4 31.7 -64.5 -27.3 -14.2 21.2 34.6 267 267 A D H <> S+ 0 0 3 -3,-1.2 4,-2.9 2,-0.1 5,-0.2 0.650 96.1 85.9-104.7 -20.3 -11.2 23.2 33.3 268 268 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.1 0.836 91.4 44.6 -54.9 -42.1 -10.6 25.9 36.0 269 269 A Y H X S+ 0 0 29 -4,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.867 115.9 47.8 -72.8 -34.1 -8.3 23.9 38.3 270 270 A R H > S+ 0 0 74 1,-0.2 4,-1.8 -4,-0.2 3,-0.4 0.904 111.5 51.4 -70.1 -41.2 -6.3 22.6 35.4 271 271 A F H X S+ 0 0 4 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.821 101.8 60.2 -66.0 -31.7 -6.1 26.1 34.0 272 272 A L H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.2 6,-0.4 0.868 108.5 45.5 -63.3 -35.1 -4.9 27.5 37.4 273 273 A K H < S+ 0 0 44 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.873 117.1 43.8 -74.4 -38.0 -1.9 25.1 37.0 274 274 A F H < S+ 0 0 12 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.903 125.2 29.2 -73.2 -43.6 -1.3 26.1 33.4 275 275 A F H < S+ 0 0 0 -4,-3.2 2,-0.3 -5,-0.1 -2,-0.2 0.431 111.3 55.4-103.7 -0.1 -1.7 29.8 33.7 276 276 A T < - 0 0 0 -4,-1.2 27,-0.0 -5,-0.2 31,-0.0 -0.819 65.5-131.1-130.7 172.5 -0.6 30.9 37.2 277 277 A F + 0 0 61 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.158 61.8 129.4-106.0 16.0 2.2 30.6 39.7 278 278 A M - 0 0 10 -6,-0.4 -2,-0.1 1,-0.1 0, 0.0 -0.460 67.9-102.4 -68.1 145.1 0.1 29.5 42.6 279 279 A S > - 0 0 50 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.269 21.3-118.2 -67.3 156.5 1.6 26.4 44.2 280 280 A I H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 117.2 56.5 -62.8 -34.5 0.1 22.9 43.5 281 281 A E H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 108.0 46.1 -62.4 -45.6 -0.6 22.7 47.2 282 282 A E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.910 113.6 48.3 -64.7 -42.8 -2.6 25.9 47.1 283 283 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 111.2 49.8 -64.8 -43.7 -4.5 24.9 44.0 284 284 A N H X S+ 0 0 74 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.898 111.4 49.3 -61.9 -40.5 -5.4 21.5 45.3 285 285 A A H X S+ 0 0 62 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.870 109.5 52.8 -66.2 -35.4 -6.7 23.1 48.6 286 286 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.887 107.8 50.4 -66.8 -40.6 -8.7 25.5 46.5 287 287 A E H X S+ 0 0 72 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.904 112.4 46.7 -65.6 -40.1 -10.4 22.7 44.6 288 288 A E H X S+ 0 0 94 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.911 110.1 55.0 -66.1 -41.8 -11.2 20.9 47.8 289 289 A E H X S+ 0 0 78 -4,-2.5 4,-0.7 1,-0.2 3,-0.3 0.924 110.4 44.0 -55.8 -49.5 -12.5 24.2 49.2 290 290 A D H X S+ 0 0 17 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.812 107.7 62.0 -66.7 -30.7 -14.9 24.7 46.3 291 291 A K H < S+ 0 0 137 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 119.5 22.1 -64.3 -37.0 -15.9 21.0 46.5 292 292 A N H < S+ 0 0 114 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.241 98.7 90.1-118.1 14.9 -17.3 21.3 50.1 293 293 A S H < S- 0 0 40 -4,-0.7 -3,-0.1 -3,-0.3 -2,-0.1 0.847 74.0-143.3 -80.3 -34.5 -18.1 25.1 50.5 294 294 A G S < S+ 0 0 83 -4,-0.5 2,-0.2 1,-0.4 -4,-0.1 0.547 70.3 101.8 80.3 6.3 -21.7 25.0 49.2 295 295 A K S S- 0 0 163 -5,-0.2 -1,-0.4 1,-0.1 -2,-0.2 -0.616 90.2 -71.1-114.8 173.8 -20.9 28.4 47.7 296 296 A A - 0 0 84 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.409 65.3 -97.4 -63.1 142.3 -20.0 29.5 44.1 297 297 A P - 0 0 46 0, 0.0 4,-0.3 0, 0.0 3,-0.3 -0.385 27.3-157.5 -62.5 137.3 -16.5 28.3 43.3 298 298 A R S > S+ 0 0 105 -12,-0.2 4,-2.4 1,-0.2 5,-0.2 0.510 75.0 91.4 -94.2 -0.8 -13.9 31.0 43.9 299 299 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.894 83.5 51.1 -57.6 -45.6 -11.5 29.3 41.4 300 300 A Q H > S+ 0 0 18 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.909 112.1 46.8 -60.9 -42.4 -12.8 31.3 38.4 301 301 A Y H > S+ 0 0 118 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.879 114.1 47.6 -66.7 -39.0 -12.3 34.6 40.3 302 302 A V H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.913 113.1 48.4 -68.1 -43.0 -8.9 33.6 41.5 303 303 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.4 0.932 112.4 48.3 -61.9 -47.6 -7.8 32.4 38.0 304 304 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.900 113.3 47.6 -60.6 -42.2 -9.1 35.7 36.4 305 305 A E H X S+ 0 0 28 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.941 114.2 47.3 -64.0 -48.6 -7.3 37.8 39.0 306 306 A Q H X S+ 0 0 46 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.940 117.1 38.3 -59.2 -56.0 -4.1 35.9 38.6 307 307 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.896 113.1 55.7 -67.9 -39.9 -3.8 35.8 34.8 308 308 A T H X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.4 5,-0.3 0.902 110.2 47.1 -60.0 -39.1 -5.1 39.3 34.3 309 309 A R H X S+ 0 0 84 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.915 111.9 49.9 -68.4 -41.5 -2.4 40.6 36.6 310 310 A L H < S+ 0 0 46 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.867 121.5 34.6 -64.1 -35.9 0.3 38.6 34.8 311 311 A V H < S+ 0 0 17 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.860 137.7 15.1 -89.1 -39.3 -0.8 39.8 31.4 312 312 A H H X S- 0 0 27 -4,-3.2 4,-1.7 -5,-0.3 -3,-0.2 0.323 97.5-135.8-120.5 6.9 -2.0 43.4 32.1 313 313 A G H X - 0 0 29 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 -0.003 50.4 -44.9 67.8-175.1 -0.5 44.1 35.6 314 314 A E H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 137.9 56.4 -58.2 -37.4 -2.1 45.8 38.5 315 315 A E H > S+ 0 0 165 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 107.7 46.7 -62.3 -44.0 -3.5 48.5 36.3 316 316 A G H X S+ 0 0 5 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.891 110.2 53.2 -65.5 -39.6 -5.3 46.0 34.0 317 317 A L H < S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.9 47.6 -62.8 -36.9 -6.7 44.2 37.1 318 318 A Q H >< S+ 0 0 107 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.895 108.3 54.0 -71.1 -38.8 -8.1 47.5 38.3 319 319 A A H >< S+ 0 0 39 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.714 95.5 70.6 -67.4 -19.2 -9.5 48.3 34.9 320 320 A A T 3< S+ 0 0 4 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.596 98.3 48.6 -73.8 -11.1 -11.3 44.9 35.0 321 321 A K T < 0 0 107 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.056 360.0 360.0-114.8 22.8 -13.7 46.2 37.7 322 322 A R < 0 0 216 -3,-1.2 -2,-0.2 0, 0.0 -3,-0.1 0.482 360.0 360.0-136.8 360.0 -14.5 49.5 35.9 323 ! 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 0.0 324 952 A Y 0 0 29 0, 0.0 -283,-0.3 0, 0.0 -126,-0.1 0.000 360.0 360.0 360.0 360.0 6.9 28.3 16.3