==== 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 TRANSFERASE 08-JUL-10 3NVM . COMPND 2 MOLECULE: NOP5/NOP56 RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR S.XUE,R.WANG,H.LI . 569 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 8 3 0 2 1 0 2 2 3 0 0 0 1 0 0 0 0 0 0 0 2 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 8 A F 0 0 9 0, 0.0 2,-0.5 0, 0.0 11,-0.5 0.000 360.0 360.0 360.0-100.2 2.4 20.6 34.7 2 9 A I B +a 61 0A 1 58,-2.0 60,-0.6 9,-0.2 2,-0.3 -0.638 360.0 145.9 -94.1 120.8 5.0 18.9 32.5 3 10 A S E -C 10 0B 0 7,-2.2 7,-2.6 -2,-0.5 2,-0.3 -0.846 28.7-131.9-137.1 177.7 7.9 16.8 33.8 4 11 A E E +C 9 0B 1 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.902 21.6 160.5-135.4 155.1 9.9 13.8 32.7 5 12 A N - 0 0 0 3,-1.5 3,-0.3 -2,-0.3 479,-0.1 -0.905 59.3 -70.0-155.3-173.5 11.4 10.5 34.0 6 13 A V S S+ 0 0 5 477,-0.3 3,-0.1 -2,-0.3 18,-0.1 0.567 128.3 44.9 -62.8 -8.1 12.7 7.1 32.9 7 14 A R S S- 0 0 80 1,-0.4 17,-1.8 16,-0.1 2,-0.3 0.773 119.7 -68.1-107.4 -33.6 9.2 6.1 31.8 8 15 A G E - D 0 23B 0 -3,-0.3 -3,-1.5 15,-0.3 2,-0.5 -0.979 61.2 -51.0 168.1-171.7 7.8 9.1 29.9 9 16 A I E -CD 4 22B 0 13,-1.4 13,-0.8 -2,-0.3 2,-0.3 -0.838 52.2-154.3 -92.7 126.4 6.5 12.7 30.1 10 17 A Y E -CD 3 21B 1 -7,-2.6 -7,-2.2 -2,-0.5 2,-0.4 -0.811 4.4-149.0-106.8 151.2 3.9 13.2 32.8 11 18 A A E - D 0 20B 0 9,-2.3 8,-2.9 -2,-0.3 9,-0.5 -0.948 17.0-167.5-117.5 132.1 1.2 15.9 33.0 12 19 A F E - D 0 18B 0 -11,-0.5 6,-0.2 -2,-0.4 73,-0.1 -0.959 17.4-131.5-132.3 133.6 -0.1 17.3 36.3 13 20 A D > - 0 0 30 4,-1.5 3,-4.1 -2,-0.4 4,-0.1 -0.355 46.3 -93.8 -69.7 154.4 -3.0 19.4 37.6 14 21 A E T 3 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.1 70,-0.0 0.667 128.8 47.3 -38.7 -23.6 -2.4 22.4 39.9 15 22 A N T 3 S- 0 0 103 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.281 119.2-105.5-109.7 5.1 -3.0 20.0 42.8 16 23 A G S < S+ 0 0 5 -3,-4.1 2,-0.2 1,-0.3 -2,-0.1 0.625 70.2 136.2 83.3 15.8 -0.8 17.1 41.7 17 24 A N - 0 0 102 -4,-0.1 -4,-1.5 1,-0.1 2,-0.5 -0.585 66.9 -93.1 -83.1 159.7 -3.2 14.5 40.5 18 25 A L E +D 12 0B 70 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.630 42.7 177.2 -82.7 123.8 -2.2 12.8 37.2 19 26 A I E - 0 0 36 -8,-2.9 2,-0.3 -2,-0.5 -7,-0.2 0.957 64.7 -25.3 -83.0 -68.7 -3.7 14.5 34.2 20 27 A E E -D 11 0B 39 -9,-0.5 -9,-2.3 2,-0.0 -1,-0.4 -0.988 57.5-169.6-144.4 148.7 -2.2 12.5 31.3 21 28 A K E -D 10 0B 90 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.828 1.2-170.9-127.0 171.5 0.9 10.5 30.8 22 29 A R E -D 9 0B 68 -13,-0.8 -13,-1.4 -2,-0.3 2,-0.2 -0.858 20.8-129.1-164.7 127.7 2.6 8.9 27.7 23 30 A Y E -D 8 0B 99 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.479 36.1 -89.3 -85.2 154.1 5.5 6.5 27.7 24 31 A F - 0 0 22 -17,-1.8 -1,-0.1 1,-0.2 -16,-0.0 -0.443 34.1-168.4 -62.3 116.1 8.7 6.9 25.6 25 32 A T S S+ 0 0 87 -2,-0.4 2,-0.2 2,-0.1 -1,-0.2 0.907 74.9 46.5 -73.2 -42.2 8.1 5.3 22.2 26 33 A D S S- 0 0 86 1,-0.2 5,-0.2 2,-0.1 4,-0.0 -0.594 120.1 -58.3 -93.2 159.2 11.8 5.4 21.2 27 34 A K >> - 0 0 110 -2,-0.2 3,-1.7 1,-0.1 4,-1.7 -0.090 47.5-132.0 -37.4 122.0 14.7 4.4 23.5 28 35 A P H 3> S+ 0 0 32 0, 0.0 4,-3.3 0, 0.0 5,-0.4 0.865 108.7 57.7 -41.2 -48.5 14.5 6.6 26.7 29 36 A E H 3> S+ 0 0 41 1,-0.2 4,-0.7 2,-0.2 -2,-0.1 0.793 107.5 48.3 -59.1 -28.8 18.2 7.3 26.3 30 37 A K H <4 S+ 0 0 86 -3,-1.7 -1,-0.2 2,-0.1 4,-0.2 0.853 118.1 39.7 -77.4 -34.1 17.4 8.7 22.9 31 38 A V H >X S+ 0 0 4 -4,-1.7 4,-2.6 -5,-0.2 3,-1.6 0.925 111.7 51.4 -85.1 -47.7 14.5 10.8 24.1 32 39 A L H 3X>S+ 0 0 3 -4,-3.3 4,-2.4 1,-0.3 5,-0.7 0.925 99.6 65.3 -53.2 -49.0 15.8 12.2 27.4 33 40 A D H 3<5S+ 0 0 46 -4,-0.7 -1,-0.3 -5,-0.4 4,-0.2 0.720 113.7 35.8 -48.6 -23.0 19.0 13.4 25.8 34 41 A Q H <>>S+ 0 0 74 -3,-1.6 5,-3.1 -4,-0.2 4,-1.7 0.874 120.6 41.4 -96.1 -58.5 16.7 15.7 23.9 35 42 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.0 3,-0.2 31,-0.2 0.968 115.2 51.8 -55.1 -54.5 14.0 16.7 26.4 36 43 A L T 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.2 0.885 111.5 48.1 -48.6 -44.1 16.5 17.0 29.3 37 44 A K T 34> - 0 0 12 -2,-0.5 3,-1.0 1,-0.0 4,-1.0 -0.588 38.8 -95.7-103.4 168.7 10.5 15.1 20.9 42 49 A K H 3> S+ 0 0 125 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.766 123.3 53.0 -54.4 -32.2 7.4 13.5 19.3 43 50 A D H 3> S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.811 106.6 52.1 -74.8 -30.2 6.1 12.3 22.6 44 51 A L H <4 S+ 0 0 1 -3,-1.0 4,-0.3 2,-0.2 -1,-0.2 0.638 113.6 45.2 -80.5 -15.6 6.3 15.8 24.2 45 52 A E H X S+ 0 0 78 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.852 110.9 50.7 -89.9 -44.5 4.3 17.2 21.2 46 53 A E H X S+ 0 0 81 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.886 113.8 45.8 -62.5 -38.3 1.7 14.4 21.1 47 54 A L H X S+ 0 0 3 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.786 108.4 57.5 -72.8 -26.7 1.0 14.9 24.8 48 55 A L H > S+ 0 0 1 -4,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.837 111.5 42.7 -71.3 -32.4 1.0 18.7 24.3 49 56 A N H >X S+ 0 0 70 -4,-1.9 4,-2.6 2,-0.2 3,-0.6 0.941 114.3 46.6 -77.4 -50.6 -1.8 18.2 21.8 50 57 A S H 3< S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.812 111.6 54.1 -63.5 -28.5 -3.9 15.6 23.7 51 58 A L H 3< S+ 0 0 2 -4,-1.7 3,-0.5 -5,-0.2 5,-0.3 0.816 110.1 48.7 -68.8 -32.1 -3.5 17.8 26.9 52 59 A K H XX S+ 0 0 103 -4,-0.6 3,-3.0 -3,-0.6 4,-0.8 0.926 105.6 53.6 -74.5 -46.9 -4.9 20.7 24.8 53 60 A E T 3< S+ 0 0 158 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.337 101.6 63.0 -75.0 9.1 -7.9 18.8 23.4 54 61 A K T 34 S- 0 0 117 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.412 132.8 -92.9-101.7 -7.2 -8.6 18.0 27.1 55 62 A G T <4 S+ 0 0 62 -3,-3.0 2,-0.4 1,-0.3 -3,-0.2 0.868 76.7 138.9 101.2 49.9 -9.0 21.8 27.5 56 63 A Y < + 0 0 68 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.959 21.4 164.1-124.7 144.0 -5.7 23.3 28.5 57 64 A D + 0 0 121 -2,-0.4 19,-0.5 18,-0.1 2,-0.3 0.412 62.1 83.2-128.8 -12.8 -4.0 26.5 27.4 58 65 A E + 0 0 95 17,-0.1 2,-0.3 19,-0.1 19,-0.1 -0.731 54.2 178.9 -95.0 141.9 -1.5 26.8 30.3 59 66 A F - 0 0 5 -2,-0.3 19,-3.0 17,-0.3 2,-0.4 -0.976 12.0-174.6-145.6 135.7 1.8 24.9 30.3 60 67 A V E - b 0 78A 11 -2,-0.3 -58,-2.0 17,-0.2 2,-0.3 -0.963 9.2-178.1-130.9 119.8 4.8 24.7 32.6 61 68 A F E -ab 2 79A 0 17,-1.3 19,-1.1 -2,-0.4 -58,-0.1 -0.727 31.6-127.5-108.8 160.2 8.0 22.8 31.8 62 69 A E S S+ 0 0 0 -60,-0.6 417,-0.1 -2,-0.3 -59,-0.1 0.716 93.3 61.1 -82.5 -21.4 11.1 22.3 34.0 63 70 A H S >> S- 0 0 17 1,-0.1 4,-1.6 416,-0.1 3,-0.6 -0.926 74.7-143.6-113.1 116.1 13.6 23.5 31.4 64 71 A P T 34 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.600 101.6 56.4 -51.5 -15.9 13.3 27.1 30.1 65 72 A E T >> S+ 0 0 52 2,-0.2 4,-2.2 3,-0.1 3,-1.9 0.944 104.1 50.5 -78.7 -52.3 14.4 26.0 26.7 66 73 A L H <> S+ 0 0 0 -3,-0.6 4,-1.2 1,-0.3 3,-0.3 0.912 113.4 46.8 -44.4 -52.0 11.6 23.4 26.4 67 74 A S H 3< S+ 0 0 2 -4,-1.6 4,-0.4 1,-0.2 -1,-0.3 0.501 110.5 53.0 -76.6 -5.7 9.0 26.0 27.4 68 75 A R H <> S+ 0 0 129 -3,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.731 112.9 42.0 -94.7 -31.0 10.5 28.6 24.9 69 76 A R H < S+ 0 0 75 -4,-2.2 -2,-0.2 -3,-0.3 -3,-0.2 0.627 107.0 65.8 -85.4 -17.4 10.3 26.2 22.0 70 77 A A T <>S+ 0 0 0 -4,-1.2 5,-0.5 -5,-0.3 3,-0.2 0.830 106.8 40.0 -71.2 -32.8 6.9 25.2 23.3 71 78 A K T 45S+ 0 0 111 -4,-0.4 3,-0.5 2,-0.2 -2,-0.2 0.684 105.4 61.0 -92.6 -23.2 5.5 28.7 22.6 72 79 A E T <5S+ 0 0 129 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.342 107.3 53.5 -77.7 10.5 7.3 29.3 19.3 73 80 A L T 5S- 0 0 78 2,-0.3 -2,-0.2 -3,-0.2 -1,-0.2 0.500 129.7 -99.2-113.5 -17.4 5.1 26.3 18.5 74 81 A G T 5S+ 0 0 60 -3,-0.5 -3,-0.1 1,-0.4 -4,-0.1 -0.493 87.0 112.2 130.6 -62.5 1.9 27.9 19.7 75 82 A F S - 0 0 99 -19,-1.1 3,-0.7 -2,-0.5 -17,-0.0 -0.995 29.0-125.6-134.4 131.3 9.3 27.1 36.5 81 88 A F T 3 S+ 0 0 62 -2,-0.4 3,-0.0 1,-0.4 -19,-0.0 -0.985 92.1 19.1-131.4 135.5 11.7 24.6 38.3 82 89 A P T 3 S- 0 0 37 0, 0.0 -1,-0.4 0, 0.0 -20,-0.1 0.321 90.4-164.8 -84.2 117.5 11.2 22.4 40.1 83 90 A N X> - 0 0 0 -3,-0.7 4,-2.2 -81,-0.1 3,-1.1 -0.254 35.8-105.0 -65.7 152.0 7.6 22.4 38.8 84 91 A I T 34 S+ 0 0 59 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.590 117.0 66.2 -58.4 -6.2 4.9 20.5 40.8 85 92 A A T 3> S+ 0 0 0 2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.941 109.1 32.1 -78.9 -50.5 5.1 17.8 38.1 86 93 A G H <> S+ 0 0 0 -3,-1.1 4,-2.9 2,-0.2 5,-0.5 0.791 113.9 61.0 -75.0 -30.4 8.6 16.7 38.8 87 94 A E H < S+ 0 0 62 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.675 111.8 42.6 -67.6 -16.0 8.2 17.5 42.5 88 95 A R H 4 S+ 0 0 56 -5,-0.3 4,-0.5 -3,-0.2 -2,-0.2 0.738 114.2 50.1 -96.8 -33.1 5.5 14.9 42.2 89 96 A L H < S+ 0 0 1 -4,-1.4 3,-0.3 2,-0.2 7,-0.2 0.932 116.3 37.5 -71.1 -50.8 7.5 12.4 40.0 90 97 A R S < S+ 0 0 3 -4,-2.9 -3,-0.2 1,-0.2 4,-0.2 0.900 111.9 56.2 -72.7 -43.0 10.6 12.3 42.1 91 98 A S S S+ 0 0 46 -5,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.710 123.4 28.4 -65.5 -16.0 9.0 12.4 45.6 92 99 A N >> + 0 0 55 -4,-0.5 4,-1.1 -3,-0.3 3,-0.9 -0.238 68.4 149.7-138.9 53.3 7.0 9.3 44.5 93 100 A P H >> S+ 0 0 7 0, 0.0 4,-3.1 0, 0.0 3,-0.5 0.918 77.4 51.8 -52.3 -48.9 9.0 7.3 42.0 94 101 A E H 3> S+ 0 0 80 1,-0.2 4,-0.7 3,-0.2 6,-0.1 0.797 99.2 65.8 -60.8 -27.8 7.4 4.0 43.0 95 102 A E H <4 S+ 0 0 117 -3,-0.9 -1,-0.2 1,-0.2 4,-0.1 0.950 119.0 21.6 -58.0 -50.8 3.9 5.4 42.7 96 103 A F H << S+ 0 0 25 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.856 133.1 38.7 -81.6 -43.4 4.3 5.7 39.0 97 104 A L H < S- 0 0 9 -4,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.921 100.5-117.2 -85.3 -48.5 7.1 3.3 38.2 98 105 A G >< - 0 0 33 -4,-0.7 3,-1.0 -5,-0.3 -1,-0.3 -0.837 46.1 -53.2 131.6-171.3 6.6 0.2 40.4 99 106 A E T > S+ 0 0 154 -2,-0.3 2,-1.0 1,-0.3 3,-0.5 0.985 131.7 48.5 -68.3 -55.8 8.6 -1.4 43.2 100 107 A N T 3> S+ 0 0 103 1,-0.2 4,-1.6 -3,-0.1 -1,-0.3 0.080 71.4 137.8 -72.8 30.1 11.9 -1.8 41.4 101 108 A W H <> + 0 0 30 -3,-1.0 4,-1.3 -2,-1.0 -1,-0.2 0.818 66.5 55.8 -48.7 -36.6 11.7 1.8 40.3 102 109 A F H X> S+ 0 0 27 -3,-0.5 3,-2.2 2,-0.2 4,-1.3 0.988 99.3 55.7 -61.9 -63.6 15.4 2.4 41.1 103 110 A E H >> S+ 0 0 115 1,-0.3 4,-3.2 2,-0.2 3,-0.9 0.861 108.9 53.1 -30.8 -43.3 16.7 -0.5 38.9 104 111 A E H 3X S+ 0 0 34 -4,-1.6 4,-1.3 1,-0.3 -1,-0.3 0.831 102.8 53.4 -70.3 -32.5 14.8 1.4 36.2 105 112 A Y H << S+ 0 0 0 -3,-2.2 -1,-0.3 -4,-1.3 -2,-0.2 0.616 117.0 42.3 -72.2 -10.7 16.5 4.7 36.9 106 113 A Y H S+ 0 0 1 -5,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.977 111.0 37.0 -57.9 -53.5 20.8 5.8 33.8 110 117 A V H >X S+ 0 0 16 -4,-3.6 4,-1.9 2,-0.2 3,-1.6 0.987 110.4 59.6 -62.6 -62.8 23.7 3.8 32.3 111 118 A A H 3X S+ 0 0 22 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.822 106.9 47.5 -32.6 -60.0 22.4 3.4 28.8 112 119 A L H 3X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -1,-0.3 0.807 110.6 52.2 -54.9 -38.0 22.3 7.2 28.3 113 120 A T H - 0 0 45 1,-0.1 3,-0.5 -3,-0.1 -1,-0.0 -0.995 29.6-130.8-138.4 132.1 40.8 5.9 21.6 122 129 A G T 3 S+ 0 0 80 -2,-0.4 2,-0.3 1,-0.3 3,-0.1 0.821 99.6 11.0 -44.1 -47.2 44.6 5.9 21.3 123 130 A A T 3> + 0 0 40 1,-0.1 4,-0.6 2,-0.1 -1,-0.3 -0.770 63.1 143.8-143.8 90.6 44.7 9.2 19.4 124 131 A R H <> S+ 0 0 18 -3,-0.5 4,-2.0 -2,-0.3 5,-0.2 0.670 75.1 69.4 -92.9 -24.6 41.6 11.3 19.1 125 132 A D H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 138,-0.2 0.846 101.0 50.5 -58.9 -29.8 43.6 14.5 19.4 126 133 A K H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 105.0 53.6 -75.7 -41.5 44.8 13.3 15.9 127 134 A M H X S+ 0 0 64 -4,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.768 111.1 49.1 -57.2 -31.3 41.2 12.9 14.7 128 135 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.933 105.2 54.6 -75.6 -48.1 40.6 16.5 15.8 129 136 A I H X S+ 0 0 17 -4,-2.1 4,-3.5 2,-0.2 -2,-0.2 0.937 111.5 48.2 -49.7 -51.8 43.7 17.9 14.1 130 137 A Q H X S+ 0 0 127 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.981 111.7 45.6 -45.9 -74.7 42.3 16.3 10.9 131 138 A A H X S+ 0 0 9 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.785 114.9 50.5 -47.7 -29.8 38.8 17.6 11.2 132 139 A I H X S+ 0 0 0 -4,-3.0 4,-0.8 2,-0.2 -1,-0.3 0.951 109.7 50.0 -70.7 -46.9 40.3 21.0 12.1 133 140 A E H X S+ 0 0 87 -4,-3.5 4,-0.7 -5,-0.3 3,-0.4 0.837 112.4 48.6 -54.7 -40.1 42.5 20.7 9.0 134 141 A A H >X S+ 0 0 26 -4,-2.8 3,-2.6 1,-0.2 4,-2.3 0.976 101.6 60.0 -66.2 -54.9 39.4 19.9 6.9 135 142 A L H 3< S+ 0 0 8 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.678 105.1 54.3 -45.2 -19.8 37.3 22.8 8.3 136 143 A D H 3X S+ 0 0 45 -4,-0.8 4,-1.0 -3,-0.4 -1,-0.3 0.735 107.4 47.4 -84.3 -31.7 40.2 24.9 6.8 137 144 A D H S+ 0 0 70 -5,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.969 103.2 47.6 -60.0 -41.5 36.7 27.4 4.4 140 151 A L H X S+ 0 0 87 -4,-1.0 4,-2.3 -3,-0.4 -2,-0.2 0.869 108.0 53.2 -62.6 -40.9 38.2 27.7 1.0 141 152 A L H X S+ 0 0 73 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.901 109.7 49.0 -63.1 -41.1 35.3 26.1 -0.8 142 153 A V H X S+ 0 0 17 -4,-2.2 4,-1.1 2,-0.2 3,-0.3 0.922 110.5 49.9 -64.4 -43.1 32.9 28.5 0.8 143 154 A A H < S+ 0 0 53 -4,-2.2 4,-0.4 -5,-0.3 3,-0.2 0.904 109.6 54.8 -60.5 -39.3 35.1 31.4 -0.2 144 155 A R H X S+ 0 0 135 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.802 97.2 60.6 -63.3 -36.9 35.1 29.9 -3.7 145 156 A L H >X S+ 0 0 5 -4,-1.7 3,-2.0 -3,-0.3 4,-1.1 0.913 86.6 83.9 -59.8 -41.2 31.3 29.8 -4.1 146 157 A R H 3< S+ 0 0 69 -4,-1.1 4,-0.5 1,-0.3 -1,-0.2 0.793 94.6 34.7 -23.1 -85.5 31.1 33.6 -3.7 147 158 A E H 3> S+ 0 0 105 -4,-0.4 4,-1.2 1,-0.1 -1,-0.3 0.720 118.3 61.5 -51.4 -20.4 31.8 34.8 -7.2 148 159 A W H XX S+ 0 0 103 -3,-2.0 3,-1.8 -4,-0.5 4,-0.9 0.998 98.0 43.6 -78.2 -77.4 30.0 31.8 -8.6 149 160 A Y H 3< S+ 0 0 28 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.566 121.4 55.1 -39.2 -7.0 26.3 31.8 -7.4 150 161 A S H 34 S+ 0 0 12 -4,-0.5 -1,-0.3 -5,-0.4 -2,-0.3 0.695 78.5 79.2-106.2 -36.1 26.9 35.4 -8.5 151 162 A L H << S+ 0 0 125 -3,-1.8 56,-1.1 -4,-1.2 -2,-0.2 0.838 114.4 31.3 -40.0 -35.4 28.2 35.1 -12.1 152 163 A H S < S+ 0 0 25 -4,-0.9 -1,-0.3 54,-0.2 -2,-0.2 0.562 140.7 21.1 -99.0 -16.1 24.5 34.7 -12.6 153 164 A F + 0 0 16 -5,-0.3 4,-0.5 -6,-0.2 -2,-0.2 -0.556 56.6 169.2-159.1 89.7 23.6 37.0 -9.7 154 165 A P S S+ 0 0 59 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.729 72.3 70.4 -73.1 -26.8 26.0 39.5 -8.3 155 166 A E S >> S+ 0 0 25 1,-0.2 3,-1.7 2,-0.1 4,-0.9 0.969 86.0 61.8 -57.8 -62.3 23.4 41.3 -6.1 156 167 A L H >> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.779 87.9 73.3 -31.5 -53.7 22.8 38.7 -3.5 157 168 A D H 34 S+ 0 0 56 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.798 103.2 39.4 -35.1 -51.4 26.4 38.7 -2.2 158 169 A E H <4 S+ 0 0 160 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.865 115.8 53.3 -70.7 -37.6 25.9 42.1 -0.5 159 170 A L H << S+ 0 0 50 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.955 114.2 36.7 -65.2 -56.6 22.4 41.2 0.7 160 171 A L < + 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 6,-0.0 -0.885 62.4 163.5-102.5 107.0 23.2 38.0 2.5 161 172 A P + 0 0 76 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.815 53.6 85.5 -86.1 -35.7 26.6 38.1 4.2 162 173 A K S >> S- 0 0 140 1,-0.1 4,-1.9 2,-0.0 3,-1.0 -0.581 74.8-142.0 -77.9 114.6 26.1 35.1 6.5 163 174 A H H 3> S+ 0 0 84 -2,-0.6 4,-3.3 1,-0.3 3,-0.4 0.847 97.2 45.2 -45.5 -56.2 27.1 32.0 4.7 164 175 A P H 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.804 114.3 49.0 -61.3 -30.9 24.4 29.6 6.1 165 176 A Q H <4 S+ 0 0 66 -3,-1.0 4,-0.2 2,-0.1 -2,-0.2 0.797 117.5 45.1 -71.6 -28.7 21.7 32.3 5.6 166 177 A Y H >X S+ 0 0 2 -4,-1.9 3,-2.6 -3,-0.4 4,-0.7 0.937 99.6 60.8 -84.1 -54.3 23.0 32.6 2.1 167 178 A V H 3X S+ 0 0 11 -4,-3.3 4,-1.2 1,-0.3 -1,-0.2 0.532 91.8 80.0 -54.8 -3.1 23.5 29.0 0.9 168 179 A A H 3> S+ 0 0 26 -5,-0.3 4,-1.2 2,-0.1 -1,-0.3 0.888 88.5 50.3 -68.3 -42.3 19.7 29.0 1.6 169 180 A F H <>>S+ 0 0 24 -3,-2.6 4,-2.4 -4,-0.2 5,-1.0 0.953 115.3 39.6 -65.5 -53.8 19.0 30.7 -1.7 170 181 A V H <5S+ 0 0 9 -4,-0.7 3,-0.4 3,-0.2 4,-0.3 0.995 110.9 54.3 -56.0 -74.5 21.1 28.4 -3.9 171 182 A K H <5S+ 0 0 92 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.735 122.3 29.8 -31.3 -41.3 20.3 25.0 -2.3 172 183 A T H <5S+ 0 0 103 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.803 136.0 14.0 -99.0 -33.5 16.6 25.6 -2.7 173 184 A V T <5 + 0 0 26 -4,-2.4 2,-1.7 -3,-0.4 -3,-0.2 0.822 63.9 176.6-111.3 -53.0 16.1 27.8 -5.8 174 185 A G < + 0 0 17 -5,-1.0 2,-0.2 -4,-0.3 -1,-0.1 -0.579 55.7 72.1 80.6 -79.6 19.2 28.0 -8.0 175 186 A H S > S- 0 0 19 -2,-1.7 3,-2.2 1,-0.1 26,-0.1 -0.431 77.5-128.9 -83.0 143.6 18.0 30.1 -10.9 176 187 A R G > S+ 0 0 81 1,-0.3 3,-0.7 -2,-0.2 25,-0.1 0.873 111.8 52.9 -48.1 -41.7 17.2 33.8 -10.9 177 188 A D G 3 S+ 0 0 72 1,-0.3 -1,-0.3 23,-0.1 -2,-0.0 0.339 86.6 80.9 -85.5 6.5 13.8 33.0 -12.5 178 189 A N G < + 0 0 87 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.192 69.0 128.8 -89.9 16.1 12.9 30.4 -9.8 179 190 A I < - 0 0 17 -3,-0.7 2,-0.4 18,-0.1 5,-0.0 -0.617 35.3-177.2 -86.3 125.2 11.8 33.3 -7.6 180 191 A N - 0 0 91 -2,-0.4 4,-0.3 1,-0.1 -2,-0.0 -0.902 29.7-144.7-111.3 145.7 8.4 33.4 -5.9 181 192 A E S > S+ 0 0 107 -2,-0.4 4,-0.8 1,-0.2 -1,-0.1 0.688 109.8 51.9 -74.2 -19.7 7.1 36.2 -3.7 182 193 A E H > S+ 0 0 169 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.560 113.9 39.5 -95.8 -12.1 5.5 33.4 -1.8 183 194 A V H 4 S+ 0 0 48 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.311 106.9 67.5-108.7 0.9 8.7 31.5 -1.4 184 195 A L H 4>S+ 0 0 3 -4,-0.3 5,-0.6 1,-0.1 -2,-0.2 0.827 100.7 48.0 -79.7 -39.2 10.5 34.9 -0.8 185 196 A R H >X5S+ 0 0 155 -4,-0.8 3,-1.2 3,-0.1 4,-0.7 0.964 107.2 65.6 -61.0 -56.0 8.6 35.2 2.4 186 197 A E T 3<5S+ 0 0 140 -4,-0.5 3,-0.1 1,-0.2 -3,-0.0 -0.389 84.9 54.3 -67.8 150.8 9.5 31.6 3.4 187 198 A L T 345S- 0 0 69 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.065 128.3 -76.9 106.2 -25.2 13.2 31.0 4.0 188 199 A G T <45S+ 0 0 65 -3,-1.2 2,-0.3 1,-0.2 -2,-0.2 0.601 78.0 157.8 112.5 18.5 13.3 33.9 6.5 189 200 A L << - 0 0 29 -4,-0.7 -1,-0.2 -5,-0.6 5,-0.1 -0.555 34.5-132.4 -81.2 135.8 13.3 37.0 4.4 190 201 A S - 0 0 56 -2,-0.3 4,-0.1 1,-0.1 5,-0.1 -0.077 32.7 -98.8 -69.0 176.2 12.1 40.3 5.7 191 202 A E S > S+ 0 0 120 2,-0.2 3,-1.1 1,-0.2 4,-0.4 0.904 128.8 50.6 -66.0 -41.4 9.7 42.6 3.8 192 203 A E G >> S+ 0 0 111 1,-0.3 4,-2.3 2,-0.2 3,-1.2 0.906 111.2 48.8 -58.7 -42.0 12.6 44.6 2.6 193 204 A K G 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.451 100.5 66.6 -78.7 -1.5 14.2 41.4 1.5 194 205 A I G <4 S+ 0 0 5 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.512 113.6 30.3 -93.8 -8.3 10.9 40.4 -0.2 195 206 A K T <> S+ 0 0 131 -3,-1.2 4,-1.0 -4,-0.4 -2,-0.2 0.603 109.1 66.5-115.0 -30.5 11.5 43.3 -2.6 196 207 A K T < S+ 0 0 104 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.559 115.5 33.9 -65.9 -6.9 15.3 43.2 -2.7 197 208 A I T >> S+ 0 0 4 -5,-0.2 4,-1.1 2,-0.1 3,-0.5 0.519 108.6 60.1-125.8 -19.4 14.8 39.8 -4.3 198 209 A L T 34 S+ 0 0 42 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.559 104.6 57.0 -78.8 -10.4 11.7 40.4 -6.3 199 210 A E T 3< S+ 0 0 88 -4,-1.0 4,-0.4 2,-0.1 -1,-0.2 0.365 100.0 64.6 -90.6 -0.7 14.0 43.0 -7.8 200 211 A A T X4 S+ 0 0 5 -3,-0.5 3,-0.8 2,-0.2 -2,-0.2 0.945 93.1 51.3 -85.9 -59.3 16.3 40.0 -8.5 201 212 A K T 3< S+ 0 0 72 -4,-1.1 -2,-0.1 1,-0.3 -1,-0.1 0.741 129.6 23.2 -51.6 -25.8 14.3 37.9 -11.0 202 213 A E T 3 S+ 0 0 160 -4,-0.3 2,-0.4 -5,-0.1 -1,-0.3 0.364 114.5 69.7-127.4 2.2 13.9 41.0 -13.2 203 214 A K S < S+ 0 0 102 -3,-0.8 -1,-0.1 -4,-0.4 2,-0.0 -0.969 78.8 21.9-129.8 145.4 16.7 43.4 -12.2 204 215 A T S S- 0 0 44 -2,-0.4 2,-0.3 -50,-0.1 0, 0.0 -0.003 76.9 -85.7 90.4 163.9 20.5 43.3 -12.8 205 216 A M + 0 0 165 2,-0.0 2,-0.2 -2,-0.0 -2,-0.0 -0.768 52.9 138.8-106.5 151.5 22.7 41.6 -15.3 206 217 A G - 0 0 20 -2,-0.3 2,-1.7 -53,-0.1 -54,-0.2 -0.577 55.8-100.9 167.5 130.6 24.2 38.0 -15.0 207 218 A A - 0 0 81 -56,-1.1 -54,-0.1 -2,-0.2 -55,-0.1 -0.338 42.0-149.4 -71.4 81.2 24.7 35.1 -17.4 208 219 A W + 0 0 156 -2,-1.7 2,-0.3 -56,-0.2 -1,-0.1 0.100 20.0 178.3 -44.7 158.1 21.8 32.8 -16.7 209 220 A M - 0 0 72 1,-0.1 4,-0.0 2,-0.0 -1,-0.0 -0.970 28.0-157.0-161.2 155.6 22.3 29.0 -17.2 210 221 A D S > S+ 0 0 114 -2,-0.3 4,-0.7 3,-0.1 -1,-0.1 0.692 96.6 37.8-110.2 -31.4 20.4 25.8 -16.7 211 222 A Q T 4 S+ 0 0 141 2,-0.2 3,-0.2 1,-0.1 -2,-0.0 0.860 116.9 52.5 -87.6 -40.2 23.1 23.1 -16.4 212 223 A T T >> S+ 0 0 61 1,-0.2 3,-3.2 2,-0.2 4,-2.3 0.933 100.7 62.0 -57.0 -51.1 25.3 25.4 -14.4 213 224 A D H 3> S+ 0 0 25 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.883 106.0 46.3 -40.6 -48.8 22.5 26.1 -12.0 214 225 A I H 3< S+ 0 0 102 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.205 108.3 57.3 -86.9 13.1 22.5 22.4 -11.1 215 226 A E H <> S+ 0 0 102 -3,-3.2 4,-0.6 2,-0.1 -1,-0.2 0.703 109.6 43.1 -99.0 -41.8 26.2 22.3 -10.7 216 227 A V H >X S+ 0 0 8 -4,-2.3 4,-1.9 2,-0.2 3,-1.5 0.943 109.2 54.7 -72.1 -47.7 26.3 25.0 -8.1 217 228 A V H 3X S+ 0 0 25 -4,-2.2 4,-2.0 1,-0.3 3,-0.2 0.909 106.8 54.2 -52.7 -37.5 23.3 23.7 -6.1 218 229 A R H 3> S+ 0 0 159 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.745 106.6 54.1 -65.8 -23.9 25.4 20.4 -6.0 219 230 A Q H << S+ 0 0 36 -3,-1.5 4,-0.5 -4,-0.6 -1,-0.2 0.822 107.1 46.8 -76.8 -36.0 28.2 22.5 -4.6 220 231 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.2 3,-0.5 0.846 107.1 59.6 -74.9 -31.9 26.1 24.0 -1.8 221 232 A A H X S+ 0 0 20 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.928 112.0 38.6 -57.7 -46.0 24.8 20.5 -0.9 222 233 A E H X S+ 0 0 118 -4,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.503 112.0 59.9 -85.4 -5.7 28.3 19.3 -0.3 223 234 A E H > S+ 0 0 5 -3,-0.5 4,-1.3 -4,-0.5 -2,-0.2 0.891 103.7 46.6 -90.7 -46.1 29.5 22.5 1.4 224 235 A I H X S+ 0 0 61 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.981 111.0 52.2 -54.4 -55.6 27.1 22.5 4.2 225 240 A Q H X S+ 0 0 80 -4,-1.2 4,-1.2 1,-0.3 5,-0.2 0.786 109.0 43.6 -68.4 -36.5 27.5 18.9 5.2 226 241 A L H X S+ 0 0 76 -4,-0.7 4,-2.0 3,-0.1 -1,-0.3 0.857 115.5 55.3 -70.2 -30.2 31.3 18.6 5.5 227 242 A R H X S+ 0 0 57 -4,-1.3 4,-2.7 -3,-0.4 5,-0.3 0.997 109.3 40.5 -61.2 -73.2 31.2 22.0 7.4 228 243 A K H X S+ 0 0 103 -4,-1.9 4,-3.6 2,-0.2 5,-0.4 0.903 115.1 53.0 -34.0 -75.1 28.6 21.1 10.1 229 244 A K H X S+ 0 0 101 -4,-1.2 4,-3.2 1,-0.2 5,-0.5 0.870 110.9 46.5 -23.9 -73.0 30.1 17.7 10.7 230 245 A L H X S+ 0 0 18 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.917 116.8 43.1 -44.4 -55.8 33.5 19.1 11.1 231 246 A E H X S+ 0 0 70 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.927 120.1 43.2 -58.4 -42.5 32.3 21.9 13.5 232 247 A D H X S+ 0 0 86 -4,-3.6 4,-1.5 -5,-0.3 -1,-0.2 0.725 116.9 44.0 -79.1 -25.4 30.1 19.5 15.4 233 248 A Y H X S+ 0 0 82 -4,-3.2 4,-1.2 -5,-0.4 -1,-0.2 0.849 109.5 57.6 -83.3 -40.4 32.5 16.6 15.6 234 249 A I H < S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.5 -3,-0.2 0.824 113.8 40.9 -57.5 -32.0 35.3 19.0 16.6 235 250 A D H >X S+ 0 0 71 -4,-1.2 3,-3.0 -5,-0.2 4,-0.7 0.969 114.4 46.0 -77.5 -69.2 33.2 20.1 19.5 236 251 A R H 3< S+ 0 0 109 -4,-1.5 -2,-0.2 1,-0.3 4,-0.2 0.542 118.5 46.1 -57.1 -5.4 31.7 16.8 20.8 237 252 A A T 3X S+ 0 0 0 -4,-1.2 4,-0.9 2,-0.1 -1,-0.3 0.423 96.4 69.3-116.7 -0.4 35.1 15.2 20.6 238 253 A M H <> S+ 0 0 0 -3,-3.0 4,-1.3 2,-0.2 8,-0.3 0.484 92.6 67.4 -79.7 -8.0 37.0 18.1 22.2 239 254 A D H < S+ 0 0 50 -4,-0.7 214,-0.5 2,-0.2 -1,-0.2 0.820 103.1 39.1 -83.5 -31.5 35.1 16.8 25.2 240 255 A D H 4 S+ 0 0 11 -4,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.810 124.5 37.3 -82.0 -32.5 36.9 13.5 25.4 241 256 A V H < S- 0 0 6 -4,-0.9 -2,-0.2 1,-0.1 -3,-0.1 0.882 136.1 -3.0 -94.1 -40.2 40.4 14.8 24.5 242 257 A A X + 0 0 0 -4,-1.3 4,-2.8 -5,-0.1 -1,-0.1 -0.302 60.2 158.2-155.9 62.6 40.7 18.2 26.2 243 258 A P H > S+ 0 0 7 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.842 84.6 49.6 -57.5 -36.9 37.6 19.4 28.0 244 259 A N H > S+ 0 0 0 72,-0.2 4,-1.7 2,-0.2 73,-0.1 0.991 111.8 45.5 -63.9 -62.0 39.7 21.8 30.1 245 260 A L H > S+ 0 0 1 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90.2 -97.4-102.1 159.7 42.0 45.4 24.9 298 324 A P >> - 0 0 53 0, 0.0 3,-3.4 0, 0.0 4,-1.1 -0.565 38.2-115.2 -73.4 135.5 44.7 48.0 23.9 299 325 A W H 3> S+ 0 0 144 1,-0.3 4,-1.0 -2,-0.2 3,-0.1 0.743 112.7 66.2 -42.2 -34.3 47.9 46.4 22.7 300 326 A W H 34 S+ 0 0 205 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.678 108.7 37.9 -67.1 -15.9 49.8 47.8 25.7 301 327 A Q H X> S+ 0 0 27 -3,-3.4 4,-1.5 -7,-0.1 3,-1.0 0.673 99.5 76.8-104.3 -24.2 47.8 45.6 28.0 302 328 A R H 3X S+ 0 0 32 -4,-1.1 4,-2.9 1,-0.3 5,-0.4 0.928 84.6 61.0 -55.3 -54.7 47.6 42.4 25.9 303 329 A G H 3X S+ 0 0 26 -4,-1.0 4,-1.0 1,-0.2 -1,-0.3 0.799 107.5 49.9 -43.2 -33.3 51.1 41.1 26.5 304 330 A K H <> S+ 0 0 114 -3,-1.0 4,-1.4 2,-0.2 3,-0.3 0.969 113.5 40.2 -73.2 -56.8 50.1 40.9 30.2 305 331 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 3,-0.3 0.916 110.1 59.7 -58.5 -46.8 46.8 39.1 29.9 306 332 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.859 102.1 54.8 -51.2 -41.7 48.2 36.7 27.2 307 333 A R H X S+ 0 0 139 -4,-1.0 4,-1.4 -5,-0.4 -1,-0.3 0.944 107.9 48.8 -54.3 -50.7 50.8 35.6 29.7 308 334 A A H X S+ 0 0 3 -4,-1.4 4,-1.0 -3,-0.3 -2,-0.2 0.829 110.3 51.5 -62.7 -35.0 48.1 34.8 32.2 309 335 A L H >X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-1.2 0.963 106.0 53.6 -65.6 -51.4 46.2 32.8 29.5 310 336 A A H 3X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.3 -2,-0.2 0.801 105.7 55.8 -54.5 -31.2 49.2 30.7 28.5 311 337 A G H 3X S+ 0 0 14 -4,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.830 113.0 39.4 -70.9 -32.2 49.6 29.8 32.2 312 338 A K H S+ 0 0 22 -4,-2.4 5,-2.1 1,-0.2 4,-1.7 0.949 117.9 52.4 -62.4 -46.2 45.5 17.7 33.2 320 346 A D H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.5 -1,-0.2 0.906 108.6 51.4 -53.9 -45.8 43.8 17.2 29.9 321 347 A Y H <5S+ 0 0 84 -4,-4.5 -1,-0.2 -5,-0.2 -2,-0.2 0.967 125.5 24.4 -54.3 -53.9 46.7 15.2 28.7 322 348 A F H <5S- 0 0 149 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.995 139.4 -9.6 -78.1 -72.7 46.6 13.0 31.7 323 349 A S T <5 - 0 0 48 -4,-1.7 -3,-0.2 -5,-0.2 -4,-0.1 0.797 69.2-137.4-106.8 -41.2 43.3 12.7 33.5 324 350 A G < + 0 0 0 -5,-2.1 2,-0.5 1,-0.2 130,-0.4 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