==== 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 20-SEP-04 1WQ3 . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI STR. K12 SUBSTR.; . AUTHOR T.KOBAYASHI,K.SAKAMOTO,O.NUREKI,T.TAKIMURA,K.KAMATA,R.SEKINE . 323 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.1 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 . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 3 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 0 162 0, 0.0 30,-0.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 47.9 1.3 28.0 101.2 2 2 A A - 0 0 69 25,-0.1 2,-0.5 1,-0.1 28,-0.2 -0.284 360.0-142.6 -60.6 154.0 -2.0 27.3 103.1 3 3 A S - 0 0 63 27,-0.1 24,-0.2 26,-0.1 2,-0.2 -0.971 1.1-138.9-129.3 121.7 -3.8 24.3 101.7 4 4 A S - 0 0 18 22,-2.6 4,-0.2 -2,-0.5 3,-0.2 -0.485 2.1-155.7 -74.0 143.9 -7.6 23.9 101.3 5 5 A N > + 0 0 85 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.292 67.9 102.6-102.1 9.2 -9.2 20.5 102.2 6 6 A L H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.911 81.4 48.8 -59.1 -44.5 -12.2 21.0 100.0 7 7 A I H > S+ 0 0 0 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 111.8 51.0 -62.9 -41.1 -10.9 18.8 97.2 8 8 A K H > S+ 0 0 99 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 108.4 51.5 -59.4 -46.2 -10.1 16.1 99.9 9 9 A Q H X S+ 0 0 85 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.897 112.4 45.5 -60.1 -38.7 -13.6 16.4 101.3 10 10 A L H ><>S+ 0 0 8 -4,-2.1 5,-2.6 2,-0.2 3,-0.7 0.884 109.6 55.1 -72.5 -36.8 -15.1 15.8 97.8 11 11 A Q H ><5S+ 0 0 68 -4,-2.5 3,-2.3 1,-0.3 5,-0.2 0.934 103.2 56.6 -59.5 -42.6 -12.7 13.0 97.2 12 12 A E H 3<5S+ 0 0 113 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.743 104.5 52.0 -59.4 -27.5 -14.0 11.3 100.4 13 13 A R T <<5S- 0 0 28 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.515 118.3-115.7 -84.8 -6.2 -17.5 11.5 98.9 14 14 A G T < 5S+ 0 0 37 -3,-2.3 -3,-0.2 -4,-0.4 -2,-0.2 0.767 79.6 128.2 75.2 28.7 -16.2 9.8 95.8 15 15 A L < + 0 0 1 -5,-2.6 2,-0.6 -6,-0.1 -4,-0.2 0.345 43.8 80.5-101.9 6.9 -17.0 13.0 93.8 16 16 A V + 0 0 24 -6,-0.3 209,-0.2 -5,-0.2 3,-0.1 -0.927 40.9 166.6-117.0 110.2 -13.7 13.7 92.1 17 17 A A S S- 0 0 49 207,-3.2 2,-0.3 -2,-0.6 208,-0.2 0.938 75.4 -6.9 -81.8 -56.5 -13.0 11.6 88.9 18 18 A Q E -A 224 0A 81 206,-0.9 206,-2.4 2,-0.0 -1,-0.4 -0.986 63.5-173.7-138.4 150.9 -10.1 13.7 87.6 19 19 A V E -A 223 0A 30 -2,-0.3 2,-0.5 204,-0.2 3,-0.5 -0.996 24.3-125.8-146.3 136.3 -8.5 17.0 88.8 20 20 A T S S- 0 0 25 202,-2.4 5,-0.2 -2,-0.3 202,-0.1 -0.729 87.3 -18.3 -83.1 131.3 -5.8 19.2 87.2 21 21 A D S > S- 0 0 84 -2,-0.5 4,-2.6 1,-0.1 -1,-0.3 0.896 70.2-170.3 36.6 68.4 -2.9 19.9 89.6 22 22 A E H > S+ 0 0 63 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.851 80.3 55.4 -54.6 -39.2 -4.8 19.1 92.7 23 23 A E H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.965 112.1 41.2 -61.1 -50.6 -1.9 20.5 94.9 24 24 A A H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 115.4 51.7 -66.6 -32.5 -2.0 24.0 93.2 25 25 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.928 108.8 50.3 -68.4 -45.6 -5.8 24.0 93.1 26 26 A A H X S+ 0 0 5 -4,-2.8 -22,-2.6 -5,-0.2 4,-1.3 0.883 111.9 48.1 -61.6 -35.1 -6.1 23.2 96.8 27 27 A E H X S+ 0 0 48 -4,-1.9 4,-1.0 -24,-0.2 -1,-0.2 0.923 110.6 51.2 -71.4 -41.5 -3.6 26.0 97.6 28 28 A R H >X S+ 0 0 72 -4,-2.3 3,-1.0 1,-0.2 4,-0.8 0.927 108.5 52.3 -61.5 -42.1 -5.6 28.4 95.4 29 29 A L H 3< S+ 0 0 7 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.841 106.2 53.1 -65.0 -29.6 -8.8 27.5 97.2 30 30 A A H 3< S+ 0 0 39 -4,-1.3 -1,-0.3 -28,-0.2 -2,-0.2 0.710 96.0 69.8 -77.5 -18.2 -7.3 28.2 100.5 31 31 A Q H << S- 0 0 139 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.789 119.2 -68.3 -68.7 -28.3 -6.2 31.7 99.3 32 32 A G S < S- 0 0 23 -4,-0.8 -1,-0.3 -3,-0.5 34,-0.0 -0.908 73.0 -35.7 159.6 177.2 -9.8 32.9 99.3 33 33 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.339 57.5-163.4 -62.2 139.0 -13.2 32.4 97.6 34 34 A I - 0 0 7 -5,-0.1 33,-3.7 85,-0.0 2,-0.5 -0.809 22.6-116.2-119.7 164.9 -13.0 31.9 93.8 35 35 A A E +bc 67 192A 11 156,-0.6 158,-2.0 -2,-0.3 159,-0.6 -0.853 40.7 176.7 -95.5 132.1 -15.5 32.1 91.0 36 36 A L E -bc 68 194A 0 31,-2.7 33,-2.0 -2,-0.5 2,-0.4 -0.871 14.6-142.7-130.2 165.2 -16.0 28.6 89.4 37 37 A V E -bc 69 195A 0 157,-2.2 159,-2.8 -2,-0.3 2,-0.3 -0.976 16.4-178.9-135.0 146.6 -18.3 27.4 86.6 38 38 A C E -bc 70 196A 1 31,-1.9 33,-2.5 -2,-0.4 2,-0.3 -0.984 22.2-156.3-132.8 139.5 -20.4 24.4 85.8 39 39 A G E -b 71 0A 8 157,-0.5 2,-0.4 -2,-0.3 33,-0.2 -0.869 12.3-163.2-123.7 156.0 -22.3 24.3 82.5 40 40 A F E -b 72 0A 6 31,-2.5 33,-2.8 -2,-0.3 37,-0.1 -0.999 15.8-138.6-133.4 134.2 -25.4 22.6 81.0 41 41 A D - 0 0 17 -2,-0.4 2,-2.0 31,-0.2 3,-0.2 -0.774 23.6-120.7 -95.3 136.1 -26.4 22.2 77.3 42 42 A P + 0 0 0 0, 0.0 59,-0.1 0, 0.0 58,-0.1 -0.535 57.0 144.5 -75.1 80.2 -30.1 22.7 76.4 43 43 A T S S+ 0 0 64 -2,-2.0 2,-0.3 3,-0.1 47,-0.1 0.426 75.3 7.6 -95.9 -6.0 -30.5 19.3 74.8 44 44 A A S S- 0 0 15 -3,-0.2 60,-0.2 53,-0.1 -1,-0.1 -0.920 90.5 -93.2-157.8 177.0 -34.1 19.1 76.2 45 45 A D S S+ 0 0 37 -2,-0.3 2,-0.3 58,-0.1 52,-0.0 0.322 109.1 30.9 -86.1 15.0 -36.4 21.5 77.9 46 46 A S S S- 0 0 1 201,-0.0 2,-0.2 57,-0.0 -3,-0.1 -0.984 79.2-117.1-160.9 155.5 -35.2 20.2 81.3 47 47 A L - 0 0 1 -2,-0.3 199,-2.5 57,-0.1 200,-0.5 -0.452 33.9-159.5 -85.0 169.1 -32.2 18.7 82.9 48 48 A H B >> -F 245 0B 51 197,-0.3 3,-2.5 -2,-0.2 4,-0.6 -0.749 41.2 -69.5-136.5-171.8 -32.5 15.1 84.2 49 49 A L H >> S+ 0 0 2 195,-1.9 3,-0.8 1,-0.3 4,-0.6 0.743 122.6 68.5 -58.9 -23.7 -30.6 13.0 86.8 50 50 A G H 34 S+ 0 0 49 1,-0.2 -1,-0.3 187,-0.2 178,-0.1 0.714 103.4 46.0 -68.8 -16.2 -27.5 12.7 84.7 51 51 A H H <> S+ 0 0 35 -3,-2.5 4,-1.7 1,-0.1 -1,-0.2 0.577 93.2 84.7 -99.6 -4.9 -27.0 16.5 85.3 52 52 A L H S+ 0 0 11 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.906 114.0 51.6 -62.4 -39.6 -22.4 18.2 88.8 55 55 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.935 112.7 43.3 -62.3 -47.2 -25.2 20.7 89.7 56 56 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.830 109.1 59.4 -67.0 -30.7 -25.1 19.8 93.4 57 57 A C H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.878 101.8 52.7 -66.3 -34.8 -21.3 19.8 93.2 58 58 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.922 110.3 49.7 -64.6 -39.0 -21.5 23.5 92.1 59 59 A K H X S+ 0 0 41 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.890 104.9 56.5 -67.6 -37.1 -23.7 24.0 95.2 60 60 A R H X S+ 0 0 18 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.903 107.9 49.6 -62.1 -37.5 -21.2 22.2 97.4 61 61 A F H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 3,-0.4 0.956 109.9 49.5 -66.6 -45.1 -18.6 24.8 96.2 62 62 A Q H ><5S+ 0 0 13 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.934 108.5 53.7 -57.9 -42.2 -20.9 27.7 97.0 63 63 A Q H 3<5S+ 0 0 121 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 102.4 58.2 -65.2 -24.3 -21.6 26.3 100.4 64 64 A A T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.432 131.6 -94.9 -83.4 5.1 -17.8 26.2 101.0 65 65 A G T < 5S+ 0 0 29 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.449 85.0 124.6 100.5 2.3 -17.8 30.0 100.3 66 66 A H < - 0 0 9 -5,-2.2 -1,-0.3 -6,-0.2 -31,-0.2 -0.447 62.5-109.7 -93.0 169.0 -17.0 30.1 96.6 67 67 A K E -b 35 0A 72 -33,-3.7 -31,-2.7 -2,-0.1 2,-0.3 -0.877 28.3-149.5-106.5 116.8 -19.0 31.8 93.8 68 68 A P E -b 36 0A 0 0, 0.0 54,-2.0 0, 0.0 2,-0.6 -0.606 7.0-162.5 -88.1 134.2 -20.8 29.6 91.3 69 69 A V E -bd 37 122A 0 -33,-2.0 -31,-1.9 -2,-0.3 2,-0.8 -0.980 9.8-156.9-111.1 120.9 -21.4 30.5 87.7 70 70 A A E -bd 38 123A 5 52,-2.7 54,-2.3 -2,-0.6 2,-0.4 -0.884 13.0-163.8-101.1 105.9 -24.1 28.4 86.2 71 71 A L E -bd 39 124A 0 -33,-2.5 -31,-2.5 -2,-0.8 2,-0.5 -0.783 9.2-163.8 -94.2 136.0 -23.7 28.4 82.5 72 72 A V E -bd 40 125A 7 52,-2.7 2,-1.9 -2,-0.4 54,-0.9 -0.968 25.5-125.1-116.1 128.1 -26.4 27.3 80.1 73 73 A G > + 0 0 0 -33,-2.8 4,-3.0 -2,-0.5 5,-0.2 -0.420 42.0 159.7 -78.3 71.7 -25.2 26.6 76.5 74 74 A G T 4 S+ 0 0 3 -2,-1.9 -1,-0.2 1,-0.2 27,-0.1 0.834 87.2 27.5 -59.5 -31.0 -27.3 28.7 74.3 75 75 A A T >4 S+ 0 0 11 -3,-0.2 3,-1.9 2,-0.1 4,-0.3 0.880 120.2 51.6 -98.7 -43.9 -24.7 28.4 71.6 76 76 A T G >> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-1.5 0.833 103.7 61.3 -64.1 -28.1 -23.1 25.1 72.4 77 77 A G G 3< S+ 0 0 13 -4,-3.0 15,-0.4 1,-0.3 -1,-0.3 0.612 98.6 57.8 -70.7 -10.5 -26.6 23.5 72.4 78 78 A L G <4 S+ 0 0 29 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.466 115.2 37.3 -91.3 -4.1 -26.9 24.5 68.8 79 79 A I T <4 S- 0 0 45 -3,-1.5 -2,-0.2 -4,-0.3 10,-0.2 0.784 102.2-128.0-113.4 -52.9 -23.8 22.5 68.0 80 80 A G < - 0 0 9 -4,-2.6 95,-0.2 95,-0.1 -3,-0.1 0.522 11.0-112.0 101.3 116.5 -23.8 19.4 70.1 81 81 A D - 0 0 1 1,-0.1 92,-0.1 94,-0.1 91,-0.1 -0.695 24.7-170.6 -79.5 112.9 -21.1 17.9 72.4 82 82 A P > + 0 0 3 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.543 33.8 143.4 -79.6 -6.0 -19.7 14.6 70.8 83 83 A S T 3 S- 0 0 1 1,-0.3 74,-0.2 89,-0.1 3,-0.1 -0.084 84.3 -23.0 -47.6 116.2 -17.8 13.7 74.0 84 84 A F T 3 S+ 0 0 96 72,-2.4 2,-0.4 1,-0.2 -1,-0.3 0.784 104.6 135.6 50.0 31.9 -17.9 10.0 74.5 85 85 A K < - 0 0 41 -3,-2.7 -1,-0.2 71,-0.4 75,-0.1 -0.871 52.5-145.3-106.2 145.0 -21.1 9.8 72.4 86 86 A A S S+ 0 0 59 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.873 76.6 28.8 -78.3 -36.5 -21.5 7.1 69.7 87 87 A A S S- 0 0 70 1,-0.1 -1,-0.1 81,-0.0 81,-0.1 -0.895 92.6 -80.6-133.1 158.9 -23.5 9.1 67.2 88 88 A E - 0 0 84 -2,-0.3 2,-0.2 79,-0.2 -1,-0.1 -0.105 51.1-120.9 -44.0 133.0 -24.1 12.6 65.9 89 89 A R - 0 0 74 -10,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.606 33.1 -95.0 -83.9 151.1 -26.5 14.6 68.2 90 90 A K - 0 0 180 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.374 34.4-128.2 -62.7 136.9 -29.7 15.9 66.7 91 91 A L - 0 0 108 -2,-0.1 2,-0.2 -3,-0.0 -13,-0.1 -0.765 26.2-157.8 -87.6 125.3 -29.5 19.5 65.6 92 92 A N - 0 0 39 -2,-0.5 2,-0.1 -15,-0.4 -49,-0.0 -0.606 23.6 -97.9 -97.5 161.5 -32.3 21.6 67.1 93 93 A T > - 0 0 76 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.432 28.7-116.0 -76.2 157.6 -33.7 24.8 65.7 94 94 A E H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 114.7 53.4 -56.7 -45.4 -32.6 28.1 67.1 95 95 A E H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 110.2 46.3 -58.8 -41.1 -36.1 28.9 68.3 96 96 A T H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 112.7 48.4 -69.2 -45.5 -36.4 25.7 70.3 97 97 A V H X S+ 0 0 1 -4,-2.4 4,-3.5 1,-0.2 5,-0.2 0.929 108.9 54.6 -63.4 -39.4 -33.0 25.9 71.9 98 98 A Q H X S+ 0 0 133 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.941 110.5 45.6 -59.6 -44.1 -33.7 29.5 73.0 99 99 A E H X S+ 0 0 90 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.931 113.4 50.0 -65.0 -42.7 -36.9 28.4 74.7 100 100 A W H X S+ 0 0 50 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.902 105.1 58.7 -63.6 -37.4 -35.0 25.4 76.3 101 101 A V H X S+ 0 0 9 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.928 106.7 47.0 -54.9 -48.4 -32.3 27.8 77.5 102 102 A D H X S+ 0 0 59 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.915 111.8 50.6 -61.3 -43.6 -34.8 29.8 79.4 103 103 A K H X S+ 0 0 86 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.940 112.5 45.7 -59.2 -48.8 -36.4 26.7 80.9 104 104 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.937 110.2 53.7 -63.5 -43.4 -33.1 25.3 82.1 105 105 A R H X S+ 0 0 98 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.941 111.7 45.3 -54.5 -47.9 -31.9 28.6 83.5 106 106 A K H < S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.8 51.3 -66.9 -33.9 -35.0 28.9 85.6 107 107 A Q H < S+ 0 0 32 -4,-2.0 -1,-0.2 -5,-0.2 4,-0.2 0.854 111.4 47.3 -71.2 -35.0 -34.8 25.3 86.7 108 108 A V H >< S+ 0 0 3 -4,-2.7 3,-2.0 1,-0.2 4,-0.4 0.868 96.3 75.3 -72.8 -36.0 -31.1 25.7 87.8 109 109 A A G >< S+ 0 0 35 -4,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.851 86.4 56.9 -49.1 -50.3 -31.7 28.9 89.8 110 110 A P G 3 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.693 99.2 63.4 -58.4 -17.6 -33.4 27.5 92.9 111 111 A F G < S+ 0 0 12 -3,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.659 104.3 50.3 -80.5 -16.4 -30.4 25.2 93.5 112 112 A L S < S- 0 0 13 -3,-2.2 2,-0.7 -4,-0.4 8,-0.1 -0.794 86.9-111.0-119.4 164.0 -28.0 28.1 94.0 113 113 A D + 0 0 69 -2,-0.3 8,-2.7 6,-0.2 3,-0.2 -0.852 31.5 172.0 -97.7 115.9 -28.1 31.2 96.2 114 114 A F S S+ 0 0 79 -2,-0.7 2,-0.1 6,-0.3 -1,-0.1 0.283 75.0 49.7 -99.3 2.7 -28.4 34.4 94.0 115 115 A D S S+ 0 0 146 4,-0.1 -1,-0.2 5,-0.0 2,-0.2 -0.553 84.2 82.9-149.0 82.7 -28.8 36.6 97.0 116 116 A C S S- 0 0 45 1,-0.5 4,-0.2 -3,-0.2 -2,-0.0 -0.582 83.5 -40.2-146.7-149.4 -26.3 36.1 99.7 117 117 A G S > S- 0 0 41 -2,-0.2 3,-1.4 2,-0.1 -1,-0.5 0.561 89.2 -50.6 -67.0-143.6 -22.9 37.6 100.1 118 118 A E T 3 S+ 0 0 174 1,-0.3 -1,-0.1 -3,-0.1 -51,-0.0 0.603 129.9 68.2 -72.1 -6.7 -20.1 38.2 97.7 119 119 A N T 3 + 0 0 33 -52,-0.1 -1,-0.3 -53,-0.0 -6,-0.2 0.169 68.3 144.1-101.8 25.3 -20.5 34.6 96.7 120 120 A S < - 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0 0 40 -3,-1.6 4,-1.7 -4,-0.2 3,-1.4 -0.554 67.4-132.0 -67.6 130.2 -8.6 13.6 72.5 155 155 A E H 3> S+ 0 0 115 -2,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.878 101.0 66.7 -51.3 -42.6 -10.1 10.5 74.2 156 156 A A H 34 S+ 0 0 6 1,-0.2 -72,-2.4 2,-0.1 -71,-0.4 0.705 118.7 19.3 -54.8 -26.5 -13.7 12.0 74.0 157 157 A V H X> S+ 0 0 14 -3,-1.4 4,-1.1 -6,-0.2 3,-0.8 0.484 94.8 98.8-124.0 -7.1 -13.7 11.8 70.2 158 158 A K H >X S+ 0 0 81 -4,-1.7 4,-1.7 1,-0.3 3,-0.9 0.871 83.9 53.1 -49.0 -47.2 -11.0 9.2 69.4 159 159 A Q H 3X S+ 0 0 42 -4,-0.7 4,-2.1 1,-0.2 -1,-0.3 0.838 102.9 57.0 -60.6 -34.8 -13.6 6.5 69.0 160 160 A R H <4 S+ 0 0 3 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.775 113.5 41.3 -69.3 -22.6 -15.6 8.5 66.4 161 161 A L H << S+ 0 0 72 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.704 120.1 41.8 -94.3 -25.5 -12.5 8.8 64.3 162 162 A N H < S+ 0 0 116 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.884 99.1 69.1 -93.6 -43.5 -11.2 5.2 64.7 163 163 A R S >< S- 0 0 136 -4,-2.1 3,-0.5 3,-0.2 0, 0.0 -0.433 71.1-144.8 -70.4 152.3 -14.3 3.0 64.5 164 164 A E G > S+ 0 0 181 1,-0.2 2,-1.9 -2,-0.1 3,-0.5 0.945 97.4 60.7 -81.8 -50.3 -15.8 2.8 61.0 165 165 A D G 3 S+ 0 0 135 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.131 104.7 60.4 -61.2 28.8 -19.4 2.5 62.2 166 166 A Q G < + 0 0 16 -2,-1.9 -1,-0.2 -3,-0.5 -3,-0.2 0.036 62.4 167.3-155.2 48.9 -18.9 6.0 64.0 167 167 A G < - 0 0 51 -3,-0.5 2,-0.4 -6,-0.1 -79,-0.2 0.130 21.9-139.7 -62.4 174.8 -18.0 9.2 62.1 168 168 A I - 0 0 34 -8,-0.1 -1,-0.1 -81,-0.1 2,-0.0 -0.995 11.8-129.6-140.1 131.7 -18.0 12.8 63.3 169 169 A S > - 0 0 33 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.307 26.1-117.4 -69.9 157.8 -19.1 16.0 61.6 170 170 A F H > S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.864 115.8 66.5 -63.3 -31.7 -16.9 19.1 61.4 171 171 A T H 4 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.955 108.3 33.1 -53.3 -54.9 -19.8 20.6 63.4 172 172 A E H >4 S+ 0 0 1 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.818 112.0 62.4 -76.5 -26.7 -19.3 18.4 66.5 173 173 A F H 3< S+ 0 0 32 -4,-2.0 3,-0.4 1,-0.2 4,-0.2 0.819 102.7 53.1 -65.0 -29.9 -15.5 18.3 66.0 174 174 A S T >X S+ 0 0 19 -4,-1.9 3,-1.3 -3,-0.3 4,-1.1 0.642 84.9 87.5 -78.0 -14.0 -15.6 22.1 66.5 175 175 A Y H X> S+ 0 0 0 -3,-0.9 4,-2.5 -4,-0.4 3,-0.5 0.875 78.7 62.1 -54.7 -43.0 -17.5 21.9 69.8 176 176 A N H 3> S+ 0 0 15 -4,-0.5 4,-2.0 -3,-0.4 -1,-0.3 0.848 102.3 52.4 -54.1 -33.8 -14.3 21.6 71.8 177 177 A L H <> S+ 0 0 14 -3,-1.3 4,-2.2 -4,-0.2 -1,-0.3 0.844 108.0 50.7 -71.2 -36.3 -13.2 25.0 70.6 178 178 A L H - 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0 0 19 -2,-0.4 8,-0.6 -178,-0.1 2,-0.3 -0.626 38.2-174.0 -79.5 127.9 -22.6 7.5 88.3 229 229 A T B -G 235 0C 63 -2,-0.4 2,-0.4 6,-0.1 6,-0.1 -0.801 21.1-134.7-122.2 160.5 -22.9 3.8 88.2 230 230 A K > - 0 0 56 4,-0.7 3,-2.2 -2,-0.3 6,-0.1 -0.890 23.9-124.0-111.7 146.3 -25.0 1.1 89.7 231 231 A A T 3 S+ 0 0 72 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.857 111.5 60.7 -56.9 -33.9 -23.6 -2.2 91.1 232 232 A D T 3 S- 0 0 110 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.395 112.8-120.1 -76.2 8.0 -25.8 -4.2 88.8 233 233 A G < + 0 0 67 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.376 69.4 128.6 74.7 -9.1 -24.1 -2.5 85.8 234 234 A T S S- 0 0 72 1,-0.1 -4,-0.7 -5,-0.0 2,-0.4 -0.317 70.8 -80.7 -78.9 169.1 -27.3 -0.9 84.3 235 235 A K B > -G 229 0C 130 -6,-0.1 3,-1.4 -3,-0.1 -1,-0.1 -0.517 45.0-123.1 -76.9 122.8 -27.4 2.8 83.4 236 236 A F T 3 S+ 0 0 19 -8,-0.6 3,-0.1 -2,-0.4 -1,-0.1 -0.352 91.9 13.4 -61.8 138.6 -28.1 5.1 86.3 237 237 A G T 3 S+ 0 0 9 1,-0.2 7,-0.9 22,-0.1 2,-0.4 0.651 98.8 118.5 70.3 15.8 -31.1 7.4 85.9 238 238 A K E < +H 243 0D 135 -3,-1.4 2,-0.2 5,-0.2 -1,-0.2 -0.951 37.2 171.4-116.0 126.8 -32.5 5.4 83.0 239 239 A T E > -H 242 0D 32 3,-2.1 3,-1.9 -2,-0.4 -4,-0.0 -0.777 52.1 -98.0-127.3 176.4 -35.9 3.7 83.3 240 240 A E T 3 S+ 0 0 183 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.942 128.2 53.5 -55.4 -46.5 -38.3 1.8 81.1 241 241 A G T 3 S- 0 0 61 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.284 118.0-113.8 -74.1 10.3 -40.0 5.2 81.0 242 242 A G E < +H 239 0D 34 -3,-1.9 -3,-2.1 2,-0.1 -1,-0.2 -0.671 66.4 0.7 97.5-151.3 -36.9 7.1 79.8 243 243 A A E -H 238 0D 29 -2,-0.3 2,-0.9 -5,-0.2 -5,-0.2 -0.319 64.8-120.5 -73.7 161.8 -34.9 9.8 81.8 244 244 A V - 0 0 6 -7,-0.9 -195,-1.9 -2,-0.0 -194,-0.1 -0.871 39.0-150.7-103.5 104.7 -35.8 10.9 85.3 245 245 A W B -F 48 0B 56 -2,-0.9 -197,-0.3 -197,-0.2 6,-0.0 -0.333 22.1-142.8 -81.0 155.1 -36.4 14.7 84.8 246 246 A L S S+ 0 0 5 -199,-2.5 -198,-0.1 -2,-0.1 -1,-0.1 0.625 80.8 94.7 -86.8 -11.2 -35.8 17.5 87.3 247 247 A D S >> S- 0 0 28 -200,-0.5 4,-3.1 1,-0.1 3,-1.8 -0.714 70.7-148.2 -84.8 118.2 -39.0 19.2 85.9 248 248 A P T 34 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.755 98.5 57.7 -58.0 -24.7 -42.1 18.2 88.1 249 249 A K T 34 S+ 0 0 188 1,-0.2 3,-0.2 3,-0.1 -2,-0.0 0.660 114.3 36.7 -81.7 -17.8 -44.3 18.5 85.0 250 250 A K T <4 S+ 0 0 84 -3,-1.8 2,-0.4 1,-0.4 -1,-0.2 0.771 135.6 17.7 -99.3 -40.1 -42.2 15.9 83.2 251 251 A T S < S- 0 0 5 -4,-3.1 -1,-0.4 -7,-0.1 -2,-0.1 -0.947 89.7-129.5-134.2 111.1 -41.4 13.6 86.2 252 252 A S > - 0 0 49 -2,-0.4 4,-2.8 -3,-0.2 5,-0.2 -0.208 17.0-119.7 -62.3 148.7 -43.7 14.1 89.1 253 253 A P H > S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.863 117.3 57.0 -56.2 -31.7 -42.2 14.6 92.6 254 254 A Y H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.965 110.6 40.7 -62.2 -51.6 -44.2 11.5 93.5 255 255 A K H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.823 113.5 54.8 -64.6 -36.9 -42.4 9.4 90.8 256 256 A F H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.937 109.0 48.1 -62.5 -45.4 -39.1 11.1 91.6 257 257 A Y H X S+ 0 0 15 -4,-2.5 4,-2.1 -5,-0.2 3,-0.3 0.910 109.8 52.4 -61.3 -42.9 -39.5 10.0 95.2 258 258 A Q H X S+ 0 0 80 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.857 103.1 59.3 -63.4 -36.9 -40.3 6.5 94.1 259 259 A F H < S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.904 109.0 43.3 -59.9 -39.3 -37.2 6.3 91.9 260 260 A W H >< S+ 0 0 0 -4,-1.4 3,-1.8 -3,-0.3 -2,-0.2 0.854 109.1 56.1 -76.8 -34.8 -35.0 6.9 95.0 261 261 A I H 3< S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.903 101.3 61.2 -60.9 -36.0 -36.9 4.5 97.2 262 262 A N T 3< S+ 0 0 135 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.357 77.7 131.6 -73.3 6.8 -36.2 1.9 94.6 263 263 A T < - 0 0 15 -3,-1.8 37,-0.1 37,-0.1 5,-0.1 -0.391 61.4-113.9 -65.1 136.7 -32.4 2.3 95.1 264 264 A A >> - 0 0 50 1,-0.1 4,-2.2 -2,-0.1 3,-1.1 -0.330 18.1-121.7 -68.9 148.9 -30.4 -1.0 95.5 265 265 A D H 3> S+ 0 0 98 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.863 113.9 57.8 -56.8 -35.1 -28.8 -1.7 98.9 266 266 A A H 34 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.788 116.4 33.9 -69.3 -24.9 -25.5 -1.9 97.1 267 267 A D H <> S+ 0 0 4 -3,-1.1 4,-2.6 2,-0.1 -2,-0.2 0.715 95.1 83.8-100.9 -23.2 -25.9 1.7 95.8 268 268 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.1 0.797 90.5 46.6 -56.9 -40.0 -27.7 3.6 98.4 269 269 A Y H X S+ 0 0 28 -4,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.898 115.2 47.2 -72.7 -38.6 -24.9 4.6 100.7 270 270 A R H > S+ 0 0 82 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.887 112.1 52.4 -65.0 -40.0 -22.7 5.8 97.8 271 271 A F H X S+ 0 0 4 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.861 101.6 57.8 -69.2 -32.3 -25.7 7.6 96.5 272 272 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 6,-0.3 0.927 109.4 47.7 -61.5 -41.8 -26.3 9.4 99.8 273 273 A K H < S+ 0 0 45 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.910 117.5 40.0 -64.3 -41.5 -22.7 10.7 99.4 274 274 A F H < S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.857 125.4 33.4 -76.0 -37.5 -23.2 11.8 95.7 275 275 A F H < S+ 0 0 0 -4,-3.0 2,-0.3 -5,-0.2 -2,-0.2 0.435 110.4 50.4-104.3 -0.7 -26.7 13.2 96.1 276 276 A T < - 0 0 0 -4,-1.4 27,-0.0 -5,-0.2 31,-0.0 -0.837 66.0-127.2-134.0 174.0 -27.1 14.8 99.5 277 277 A F + 0 0 55 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.170 62.7 128.2-105.8 16.4 -25.6 17.1 102.0 278 278 A M - 0 0 11 -6,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.446 68.0-104.4 -69.8 145.8 -25.5 14.7 104.9 279 279 A S > - 0 0 44 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.282 20.9-116.2 -67.9 158.3 -22.0 14.5 106.4 280 280 A I H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 117.5 57.5 -61.9 -36.2 -19.8 11.6 105.7 281 281 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 108.0 44.8 -58.5 -49.0 -20.0 10.9 109.5 282 282 A E H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 111.7 51.7 -67.1 -35.6 -23.7 10.6 109.4 283 283 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.911 110.7 48.4 -69.7 -39.5 -23.9 8.5 106.3 284 284 A N H X S+ 0 0 73 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.900 111.3 49.9 -65.3 -39.9 -21.4 6.0 107.7 285 285 A A H X S+ 0 0 60 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.895 110.1 51.7 -65.3 -36.5 -23.4 5.8 111.0 286 286 A L H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 12,-0.2 0.890 109.8 48.7 -66.2 -38.3 -26.5 5.2 108.9 287 287 A E H X S+ 0 0 71 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.921 112.1 48.1 -66.2 -43.4 -24.9 2.4 107.0 288 288 A E H X S+ 0 0 85 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.937 110.6 53.4 -60.4 -47.0 -23.6 0.8 110.3 289 289 A E H X S+ 0 0 78 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.878 109.6 45.8 -54.7 -45.6 -27.2 1.2 111.7 290 290 A D H X S+ 0 0 17 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.829 107.9 59.7 -67.7 -33.6 -28.8 -0.6 108.8 291 291 A K H < S+ 0 0 138 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 117.4 30.1 -62.1 -35.6 -26.1 -3.3 109.1 292 292 A N H < S+ 0 0 114 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.327 99.2 83.6-107.7 6.3 -27.2 -4.1 112.7 293 293 A S H < S- 0 0 38 -4,-0.7 -2,-0.1 -3,-0.4 -1,-0.1 0.823 74.1-141.0 -85.7 -30.8 -30.9 -3.3 112.9 294 294 A G S < S+ 0 0 86 -4,-0.5 2,-0.2 1,-0.3 -4,-0.1 0.656 71.8 107.8 77.0 12.6 -32.7 -6.4 111.6 295 295 A K S S- 0 0 164 -5,-0.2 -1,-0.3 1,-0.1 -2,-0.2 -0.700 87.8 -77.1-116.9 170.0 -35.0 -3.9 110.0 296 296 A A - 0 0 80 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.379 68.4 -91.0 -57.5 150.3 -35.6 -2.8 106.5 297 297 A P - 0 0 47 0, 0.0 4,-0.3 0, 0.0 3,-0.2 -0.481 30.1-154.4 -64.6 136.4 -32.7 -0.3 105.6 298 298 A R S > S+ 0 0 110 -12,-0.2 4,-2.4 1,-0.2 3,-0.3 0.605 78.3 87.1 -84.4 -17.4 -33.6 3.2 106.5 299 299 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.861 82.6 51.5 -53.3 -44.5 -31.2 4.5 103.8 300 300 A Q H > S+ 0 0 20 -3,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.905 112.2 47.7 -60.7 -40.8 -33.5 4.4 100.8 301 301 A Y H > S+ 0 0 113 -4,-0.3 4,-2.5 -3,-0.3 -2,-0.2 0.912 113.5 47.5 -66.6 -44.6 -36.1 6.4 102.7 302 302 A V H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.939 113.8 47.4 -61.2 -47.3 -33.5 9.0 103.9 303 303 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 5,-0.4 0.940 112.4 49.8 -56.9 -49.5 -32.1 9.3 100.3 304 304 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 5,-0.3 0.942 112.9 46.5 -60.0 -45.8 -35.5 9.7 98.8 305 305 A E H X S+ 0 0 49 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.928 114.5 46.4 -62.3 -44.8 -36.5 12.4 101.3 306 306 A Q H X S+ 0 0 49 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 116.6 40.3 -66.2 -47.4 -33.3 14.3 101.0 307 307 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.898 113.3 54.6 -73.7 -36.2 -33.0 14.4 97.2 308 308 A T H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.4 5,-0.3 0.929 111.4 45.6 -63.5 -39.8 -36.7 15.0 96.7 309 309 A R H X S+ 0 0 73 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.961 111.9 51.7 -66.2 -46.0 -36.5 18.0 98.9 310 310 A L H < S+ 0 0 50 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 121.3 33.1 -53.7 -44.9 -33.3 19.3 97.2 311 311 A V H < S+ 0 0 19 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.844 137.4 17.0 -83.7 -38.7 -34.9 19.1 93.8 312 312 A H H X S- 0 0 30 -4,-3.0 4,-1.6 -5,-0.3 -3,-0.2 0.321 97.4-135.4-122.0 8.0 -38.6 19.8 94.5 313 313 A G H X - 0 0 29 -4,-2.7 4,-2.2 -5,-0.3 3,-0.4 0.060 49.5 -47.1 66.2-178.2 -38.5 21.5 97.9 314 314 A E H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.832 137.5 57.4 -55.8 -34.6 -40.8 20.9 100.8 315 315 A E H > S+ 0 0 172 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 107.2 46.7 -66.2 -39.5 -43.9 21.1 98.5 316 316 A G H X S+ 0 0 4 -4,-1.6 4,-1.4 -3,-0.4 -2,-0.2 0.910 110.4 53.3 -67.4 -42.3 -42.6 18.3 96.3 317 317 A L H >< S+ 0 0 12 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.943 110.4 47.0 -59.6 -45.6 -41.8 16.1 99.3 318 318 A Q H >< S+ 0 0 94 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.926 110.0 52.6 -63.7 -40.2 -45.3 16.6 100.6 319 319 A A H >< S+ 0 0 38 -4,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.731 96.8 69.3 -64.9 -21.5 -46.8 15.8 97.1 320 320 A A T << S+ 0 0 3 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.615 98.0 51.7 -71.5 -10.3 -44.6 12.6 97.1 321 321 A K T < 0 0 98 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.078 360.0 360.0-112.1 20.7 -47.0 11.3 99.9 322 322 A R < 0 0 216 -3,-1.2 -2,-0.2 0, 0.0 -3,-0.1 0.419 360.0 360.0-143.6 360.0 -50.3 11.8 98.2 323 ! 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 0.0 324 501 A X 0 0 41 0, 0.0 -126,-0.4 0, 0.0 -123,-0.1 0.000 360.0 360.0 360.0 360.0 -20.9 20.3 78.7