==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RNA BINDING PROTEIN/INHIBITOR 04-SEP-13 4MK1 . COMPND 2 MOLECULE: POLYMERASE PA; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR J.D.BAUMAN,D.PATEL,K.DAS,E.ARNOLD . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 1 0 0 0 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -4 A G 0 0 94 0, 0.0 2,-0.1 0, 0.0 189,-0.1 0.000 360.0 360.0 360.0 169.1 38.5 33.9 -15.7 2 -3 A P - 0 0 115 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.429 360.0-116.7 -69.0 145.7 37.4 32.0 -18.8 3 -2 A L - 0 0 145 -2,-0.1 188,-0.2 188,-0.1 187,-0.1 -0.755 32.6-158.9 -86.7 119.1 33.7 31.4 -19.4 4 -1 A G - 0 0 36 186,-2.3 2,-0.4 -2,-0.6 3,-0.1 -0.253 22.0-101.5 -82.2 175.8 32.8 27.7 -19.2 5 0 A S > - 0 0 49 1,-0.1 4,-2.0 -2,-0.1 5,-0.1 -0.866 14.5-137.0 -98.9 142.8 29.8 26.0 -20.7 6 1 A M H > S+ 0 0 8 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.865 106.1 61.7 -60.8 -37.4 26.9 25.1 -18.5 7 2 A E H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 105.2 45.4 -52.3 -49.1 26.7 21.8 -20.4 8 3 A D H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.898 112.2 52.5 -62.4 -43.2 30.2 20.9 -19.3 9 4 A F H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.920 110.2 46.8 -59.1 -48.4 29.4 21.9 -15.7 10 5 A V H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.927 114.1 46.8 -61.3 -46.3 26.3 19.7 -15.6 11 6 A R H < S+ 0 0 105 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.800 118.4 41.9 -67.5 -31.4 28.0 16.7 -17.0 12 7 A Q H < S+ 0 0 121 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.806 120.6 38.6 -83.1 -34.6 31.1 17.0 -14.8 13 8 A C H < S+ 0 0 36 -4,-2.4 2,-0.4 -5,-0.2 -2,-0.2 0.584 105.8 64.3-103.4 -8.9 29.4 17.9 -11.5 14 9 A F S < S- 0 0 8 -4,-1.7 31,-0.0 -5,-0.2 5,-0.0 -0.900 88.0-101.2-117.1 146.0 26.2 15.7 -11.5 15 10 A N > - 0 0 93 -2,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.273 33.8-119.6 -55.3 140.3 25.9 11.9 -11.3 16 11 A P H > S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.810 113.4 59.0 -57.4 -28.6 25.1 10.5 -14.8 17 12 A M H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 107.7 45.1 -63.9 -43.8 21.8 9.1 -13.4 18 13 A I H > S+ 0 0 6 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.916 112.8 50.6 -66.7 -43.7 20.7 12.5 -12.4 19 14 A V H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.908 110.9 49.0 -61.5 -43.1 21.7 14.0 -15.7 20 15 A E H X S+ 0 0 100 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 111.2 48.7 -64.4 -44.8 19.9 11.3 -17.7 21 16 A L H X S+ 0 0 42 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.862 111.6 51.1 -60.6 -39.1 16.7 11.7 -15.7 22 17 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.898 109.6 48.9 -66.4 -43.0 16.9 15.5 -16.2 23 18 A E H X S+ 0 0 57 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.892 111.3 50.3 -62.1 -42.0 17.3 15.2 -19.9 24 19 A K H X S+ 0 0 103 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.904 111.0 49.0 -63.6 -42.4 14.3 12.8 -20.1 25 20 A A H X S+ 0 0 26 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.937 110.9 48.6 -63.8 -47.7 12.2 15.2 -18.1 26 21 A M H <>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 4,-0.3 0.907 111.0 52.0 -60.4 -40.2 13.1 18.2 -20.3 27 22 A K H ><5S+ 0 0 149 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.901 106.0 53.7 -59.9 -44.5 12.3 16.1 -23.4 28 23 A E H 3<5S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.874 112.9 43.7 -61.0 -34.9 8.9 15.1 -22.1 29 24 A Y T 3<5S- 0 0 133 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.338 119.8-109.8 -95.3 4.5 8.1 18.8 -21.6 30 25 A G T < 5S+ 0 0 69 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.753 72.6 132.6 77.7 27.7 9.5 19.8 -24.9 31 26 A E < - 0 0 64 -5,-3.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.899 51.7-134.2-110.6 141.4 12.6 21.7 -23.7 32 27 A D >> - 0 0 79 -2,-0.4 4,-3.0 1,-0.1 3,-1.9 -0.832 4.1-152.6 -98.2 117.2 16.0 21.2 -25.2 33 28 A P T 34 S+ 0 0 17 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.710 95.2 59.7 -63.1 -18.2 18.8 20.8 -22.6 34 29 A K T 34 S+ 0 0 128 1,-0.1 3,-0.2 6,-0.1 -27,-0.1 0.565 117.7 30.2 -84.3 -4.4 21.4 22.2 -25.1 35 30 A I T <4 S+ 0 0 118 -3,-1.9 2,-1.6 1,-0.2 3,-0.3 0.735 119.7 48.6-117.9 -54.1 19.5 25.4 -25.4 36 31 A E S X S+ 0 0 100 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 -0.574 72.5 153.3 -88.6 81.2 17.8 25.9 -22.0 37 32 A T H > + 0 0 39 -2,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.864 65.2 52.5 -85.8 -35.8 21.0 25.2 -20.2 38 33 A N H > S+ 0 0 30 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.883 112.4 50.5 -65.3 -28.2 20.4 27.2 -17.0 39 34 A K H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.917 106.5 52.2 -75.3 -43.3 17.1 25.2 -16.8 40 35 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.941 111.2 48.0 -57.3 -49.4 18.9 21.9 -17.3 41 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.885 112.3 50.0 -60.8 -39.6 21.3 22.8 -14.4 42 37 A A H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.892 109.8 49.9 -64.8 -40.2 18.3 23.8 -12.3 43 38 A I H X S+ 0 0 36 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.929 112.2 47.6 -64.3 -46.0 16.4 20.5 -13.0 44 39 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.909 112.9 49.3 -57.3 -46.6 19.6 18.5 -12.1 45 40 A T H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.929 112.5 46.5 -60.7 -49.3 20.0 20.5 -8.9 46 41 A H H X S+ 0 0 28 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.906 112.8 49.6 -61.7 -41.8 16.4 20.1 -7.9 47 42 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.932 110.4 50.9 -63.9 -45.1 16.4 16.3 -8.6 48 43 A E H X S+ 0 0 29 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.900 108.8 51.3 -59.5 -40.9 19.6 15.9 -6.6 49 44 A V H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.914 107.4 53.2 -64.0 -41.3 18.0 17.8 -3.7 50 45 A C H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.917 112.2 45.3 -57.6 -45.8 15.0 15.4 -3.8 51 46 A F H X S+ 0 0 41 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.917 113.2 49.1 -64.0 -44.8 17.4 12.4 -3.7 52 47 A M H < S+ 0 0 33 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.825 105.5 57.9 -64.3 -31.5 19.4 13.9 -0.9 53 48 A Y H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.3 39.4 -67.0 -31.0 16.3 14.7 1.1 54 49 A S H >< S+ 0 0 7 -4,-1.2 3,-1.6 -3,-0.2 26,-0.3 0.802 90.8 111.7 -84.4 -40.7 15.4 11.0 1.0 55 50 A D T 3< S+ 0 0 71 -4,-2.4 3,-0.1 1,-0.2 14,-0.1 -0.099 84.9 3.8 -50.1 135.7 18.9 9.6 1.5 56 51 A F T 3 S+ 0 0 62 1,-0.2 12,-2.1 12,-0.1 2,-0.6 0.417 95.0 123.5 74.1 15.8 19.7 7.7 4.7 57 52 A H E < +A 67 0A 4 -3,-1.6 23,-2.4 10,-0.2 24,-0.5 -0.872 32.3 160.3-116.4 121.3 16.1 7.9 6.1 58 53 A F E -AB 66 79A 15 8,-2.8 8,-3.0 -2,-0.6 2,-0.5 -0.852 40.2-124.1-133.2 162.8 14.4 4.7 7.0 59 54 A I E -AB 65 78A 23 19,-3.6 19,-2.4 -2,-0.3 6,-0.2 -0.970 37.0-144.1-107.8 126.9 11.6 3.4 9.1 60 55 A D > - 0 0 12 4,-2.8 3,-1.5 -2,-0.5 -1,-0.0 -0.013 32.6 -83.0 -85.8-173.9 12.8 0.7 11.5 61 56 A E T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 16,-0.0 0.683 129.2 50.5 -66.9 -19.1 11.2 -2.5 12.8 62 57 A R T 3 S- 0 0 180 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.475 120.7-106.5 -95.1 -4.0 9.3 -0.6 15.5 63 58 A G S < S+ 0 0 51 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.555 77.0 133.5 91.8 8.9 7.9 1.9 13.0 64 59 A E - 0 0 118 1,-0.0 -4,-2.8 -5,-0.0 -1,-0.3 -0.680 60.7-110.9 -95.1 145.7 10.2 4.7 14.1 65 60 A S E +A 59 0A 38 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.585 44.6 171.2 -75.5 135.7 12.1 6.9 11.7 66 61 A I E -A 58 0A 49 -8,-3.0 -8,-2.8 -2,-0.3 2,-0.5 -0.919 29.9-123.7-140.6 166.0 15.9 6.5 11.9 67 62 A I E -A 57 0A 79 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.955 20.8-179.8-117.1 126.5 19.0 7.5 10.0 68 63 A V + 0 0 28 -12,-2.1 -12,-0.1 -2,-0.5 -2,-0.0 -0.940 7.0 171.4-128.0 108.5 21.5 5.0 8.6 69 64 A E + 0 0 103 -2,-0.5 -1,-0.1 3,-0.1 -12,-0.1 0.432 51.0 96.6 -98.7 -2.8 24.4 6.6 6.8 70 65 A S S S- 0 0 77 2,-0.1 -2,-0.1 -14,-0.1 -14,-0.1 -0.162 88.1-108.4 -73.8 179.7 26.4 3.4 6.3 71 66 A G S S+ 0 0 81 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.813 101.5 60.4 -82.1 -31.2 26.2 1.5 3.0 72 67 A D - 0 0 125 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.874 61.7-168.9-106.4 108.7 24.2 -1.4 4.4 73 68 A P - 0 0 40 0, 0.0 -5,-0.0 0, 0.0 -2,-0.0 -0.823 42.9-101.2 -82.8 132.1 20.7 -0.8 5.9 74 69 A N > - 0 0 66 -2,-0.4 3,-1.7 1,-0.1 0, 0.0 -0.157 36.4-109.8 -51.6 148.8 19.5 -4.0 7.6 75 70 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -3,-0.0 0, 0.0 0.674 113.2 62.2 -63.5 -18.6 17.1 -5.8 5.3 76 71 A L T 3 S+ 0 0 130 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.591 80.6 107.4 -84.7 -9.2 14.0 -5.1 7.6 77 72 A L < - 0 0 26 -3,-1.7 2,-0.4 -19,-0.0 -17,-0.2 -0.407 57.8-149.6 -69.8 142.7 14.3 -1.3 7.2 78 73 A K E -B 59 0A 105 -19,-2.4 -19,-3.6 -2,-0.1 2,-0.1 -0.924 24.4-108.3-110.4 138.0 11.8 0.6 5.0 79 74 A H E -B 58 0A 115 -2,-0.4 -21,-0.3 -21,-0.3 38,-0.1 -0.443 22.6-145.6 -61.2 134.2 12.7 3.7 3.1 80 75 A R S S+ 0 0 8 -23,-2.4 37,-2.8 -26,-0.3 2,-0.4 0.844 77.7 50.4 -71.4 -32.7 11.0 6.6 4.8 81 76 A F E -C 116 0B 8 -24,-0.5 2,-0.4 -27,-0.2 35,-0.2 -0.838 65.5-148.1-113.6 141.5 10.3 8.5 1.6 82 77 A E E -C 115 0B 57 33,-2.4 33,-2.2 -2,-0.4 2,-0.6 -0.900 24.2-139.4 -92.7 134.2 8.8 7.6 -1.7 83 78 A I E +C 114 0B 31 -2,-0.4 31,-0.2 31,-0.2 30,-0.1 -0.895 29.7 167.5-100.6 117.5 10.5 9.6 -4.5 84 79 A I > + 0 0 2 29,-2.7 3,-1.4 -2,-0.6 30,-0.2 0.794 54.2 83.6 -92.7 -43.2 8.0 10.9 -7.1 85 80 A E T 3 S+ 0 0 70 28,-1.8 3,-0.1 1,-0.2 28,-0.1 -0.321 86.7 39.0 -60.7 146.4 10.2 13.4 -9.0 86 81 A G T 3 S+ 0 0 24 1,-0.4 2,-0.3 -65,-0.1 -1,-0.2 0.225 91.5 108.4 96.4 -17.3 12.3 11.7 -11.7 87 82 A R S < S- 0 0 108 -3,-1.4 -1,-0.4 1,-0.1 -3,-0.0 -0.687 76.2-107.0 -90.0 147.8 9.6 9.3 -12.8 88 83 A D > - 0 0 84 -2,-0.3 4,-3.0 -3,-0.1 5,-0.2 -0.255 42.3 -95.3 -67.3 165.6 7.8 9.6 -16.1 89 84 A R H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.880 121.6 46.9 -51.3 -50.7 4.2 10.9 -16.0 90 85 A I H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 117.1 42.3 -62.4 -46.0 2.5 7.5 -16.1 91 86 A M H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 112.2 54.9 -70.1 -37.3 4.8 5.9 -13.4 92 87 A A H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.945 112.2 42.1 -62.7 -46.9 4.7 9.0 -11.2 93 88 A W H X S+ 0 0 81 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.852 110.6 58.0 -69.1 -33.0 0.8 9.0 -11.1 94 89 A T H X S+ 0 0 78 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.939 110.3 43.7 -58.6 -46.3 0.8 5.3 -10.7 95 90 A V H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.923 114.5 48.8 -65.4 -48.8 2.9 5.7 -7.5 96 91 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.934 111.2 50.3 -56.4 -48.9 0.8 8.7 -6.2 97 92 A N H X S+ 0 0 59 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.873 109.5 51.4 -56.5 -40.3 -2.4 6.8 -6.8 98 93 A S H X S+ 0 0 72 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.919 111.6 46.6 -64.5 -42.8 -1.1 3.8 -5.0 99 94 A I H X S+ 0 0 6 -4,-2.1 4,-3.3 2,-0.2 6,-0.4 0.922 115.4 47.0 -63.2 -43.9 -0.1 5.9 -2.0 100 95 A C H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.946 111.6 45.1 -69.9 -55.2 -3.4 7.7 -2.0 101 96 A N H < S+ 0 0 119 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.729 122.2 44.0 -64.5 -18.0 -5.9 4.8 -2.2 102 97 A T H < S+ 0 0 107 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.929 120.0 32.4 -86.8 -56.7 -3.7 3.1 0.4 103 98 A T H < S- 0 0 54 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.606 101.1-122.6 -82.2 -12.7 -2.9 5.7 3.1 104 99 A G < + 0 0 62 -4,-1.9 -4,-0.1 -5,-0.4 -3,-0.1 0.330 63.2 146.0 85.5 -6.9 -6.2 7.5 2.6 105 100 A V - 0 0 15 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.384 54.8-106.3 -65.5 141.7 -4.3 10.6 1.9 106 101 A E - 0 0 125 1,-0.1 -1,-0.1 -3,-0.1 41,-0.0 -0.251 35.0 -98.2 -74.6 158.0 -6.0 12.8 -0.7 107 102 A K - 0 0 96 -3,-0.1 -1,-0.1 1,-0.1 -10,-0.1 -0.584 33.4-131.9 -81.8 126.0 -4.8 13.1 -4.3 108 103 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.404 7.8-135.4 -71.3 157.0 -2.8 16.1 -5.2 109 104 A K S S+ 0 0 129 34,-0.2 2,-0.3 1,-0.1 -2,-0.0 0.739 91.7 37.1 -79.9 -28.4 -3.8 18.1 -8.3 110 105 A F S S- 0 0 101 33,-0.0 -1,-0.1 0, 0.0 35,-0.0 -0.915 102.0 -93.1-119.1 152.3 -0.1 18.4 -9.4 111 106 A L - 0 0 47 -2,-0.3 2,-0.1 2,-0.0 -2,-0.1 -0.471 43.9-152.0 -63.3 124.7 2.7 15.8 -9.1 112 107 A P - 0 0 3 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.247 16.4-120.1 -82.7-178.0 4.6 16.4 -5.8 113 108 A D S S+ 0 0 1 10,-2.1 -29,-2.7 1,-0.2 -28,-1.8 0.821 80.4 3.4 -90.5 -40.5 8.2 15.5 -5.3 114 109 A L E -CD 83 123B 0 9,-2.1 9,-2.7 -31,-0.2 2,-0.4 -0.929 53.8-138.3-141.0 161.1 8.2 13.1 -2.3 115 110 A Y E -CD 82 122B 0 -33,-2.2 -33,-2.4 -2,-0.3 2,-0.7 -1.000 18.3-148.5-122.7 134.8 5.9 11.2 0.0 116 111 A D E >> -CD 81 121B 0 5,-2.8 5,-1.3 -2,-0.4 4,-1.1 -0.881 8.2-168.7-103.8 111.2 6.8 11.0 3.7 117 112 A Y T 45S+ 0 0 53 -37,-2.8 -1,-0.1 -2,-0.7 -36,-0.1 0.685 87.0 52.2 -75.5 -18.0 5.7 7.8 5.3 118 113 A K T 45S+ 0 0 95 -38,-0.3 -1,-0.2 1,-0.1 -37,-0.1 0.930 120.6 30.3 -76.5 -50.9 6.5 9.1 8.9 119 114 A E T 45S- 0 0 63 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.502 103.1-132.4 -87.9 -8.8 4.6 12.4 8.6 120 115 A N T <5 + 0 0 99 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.915 65.1 107.6 59.2 50.5 2.0 10.9 6.2 121 116 A R E < -D 116 0B 33 -5,-1.3 -5,-2.8 -16,-0.1 -1,-0.2 -0.996 69.5-110.1-153.0 150.6 2.1 13.7 3.7 122 117 A F E -D 115 0B 4 -2,-0.3 27,-3.0 -7,-0.2 2,-0.4 -0.500 33.5-147.2 -73.6 153.4 3.3 14.6 0.2 123 118 A I E -De 114 149B 0 -9,-2.7 -10,-2.1 25,-0.2 -9,-2.1 -0.990 9.5-156.3-127.5 133.9 6.2 17.1 -0.1 124 119 A E E - e 0 150B 17 25,-3.0 27,-2.5 -2,-0.4 2,-0.4 -0.960 18.2-156.1-102.4 119.8 6.9 19.7 -2.7 125 120 A I E - e 0 151B 0 -2,-0.6 2,-0.4 25,-0.2 27,-0.2 -0.778 10.1-171.0 -91.9 140.6 10.6 20.6 -2.8 126 121 A G E - e 0 152B 0 25,-2.4 27,-2.8 -2,-0.4 2,-0.4 -0.983 12.4-168.7-133.5 147.6 11.7 23.9 -4.2 127 122 A V E - e 0 153B 15 -2,-0.4 2,-0.3 25,-0.2 27,-0.2 -0.995 20.2-178.7-133.0 118.3 15.2 25.2 -4.9 128 123 A T E - e 0 154B 0 25,-2.4 27,-1.0 -2,-0.4 4,-0.1 -0.937 38.5-158.9-128.4 146.1 15.4 28.9 -5.7 129 124 A R S S+ 0 0 39 -2,-0.3 2,-0.1 25,-0.2 25,-0.1 0.267 86.3 66.2 -94.0 3.5 18.0 31.5 -6.6 130 125 A R S S- 0 0 90 1,-0.1 2,-0.2 2,-0.0 25,-0.2 -0.418 109.0 -52.9-112.6-172.6 15.6 34.1 -5.2 131 126 A E > - 0 0 106 -2,-0.1 4,-1.9 1,-0.1 3,-0.3 -0.473 48.5-133.6 -66.5 134.1 14.3 35.0 -1.8 132 127 A V H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.831 102.2 56.3 -60.0 -34.4 12.8 31.8 -0.2 133 128 A H H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 106.7 48.7 -66.4 -40.4 9.6 33.6 1.0 134 129 A I H > S+ 0 0 82 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.949 115.3 44.2 -62.8 -48.2 8.7 34.8 -2.5 135 130 A Y H X S+ 0 0 35 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.870 109.2 57.4 -67.3 -38.2 9.2 31.4 -4.0 136 131 A Y H X S+ 0 0 37 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.947 107.3 47.7 -54.8 -49.2 7.3 29.8 -1.1 137 132 A L H X S+ 0 0 80 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.870 109.3 54.2 -62.7 -38.4 4.3 31.9 -1.9 138 133 A E H X S+ 0 0 94 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.942 111.5 43.9 -60.1 -49.3 4.5 31.0 -5.6 139 134 A K H X S+ 0 0 29 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.923 113.9 50.8 -59.1 -47.3 4.5 27.3 -4.9 140 135 A A H X S+ 0 0 23 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.893 110.0 48.6 -62.1 -42.3 1.7 27.6 -2.3 141 136 A N H < S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.772 110.4 54.3 -69.4 -25.4 -0.5 29.6 -4.7 142 137 A K H < S+ 0 0 121 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.891 122.8 21.4 -75.8 -41.5 0.1 27.0 -7.4 143 138 A I H < + 0 0 14 -4,-2.0 -2,-0.2 -5,-0.1 -34,-0.2 0.917 63.5 171.9 -96.9 -52.9 -0.9 23.9 -5.5 144 139 A K < + 0 0 135 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.700 36.7 130.3 48.9 17.9 -3.2 25.0 -2.6 145 140 A S - 0 0 19 1,-0.1 -1,-0.2 -5,-0.1 -39,-0.1 0.847 52.3-161.5 -65.7 -30.0 -3.8 21.2 -2.1 146 141 A E S S+ 0 0 149 2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.663 75.5 73.0 52.9 22.3 -3.0 22.4 1.4 147 142 A K S S+ 0 0 109 -41,-0.0 2,-0.4 2,-0.0 -25,-0.2 0.326 77.9 93.3-115.1 -10.3 -2.2 18.9 2.6 148 143 A T S S- 0 0 15 -27,-0.1 2,-0.3 -25,-0.1 -25,-0.2 -0.644 76.0-135.8 -85.6 126.6 1.0 19.0 0.5 149 144 A H E -e 123 0B 9 -27,-3.0 -25,-3.0 -2,-0.4 2,-0.4 -0.635 14.5-148.2 -84.0 137.5 4.0 20.2 2.6 150 145 A I E +e 124 0B 5 -2,-0.3 12,-2.1 -27,-0.2 2,-0.4 -0.893 16.2 179.6-110.3 133.5 6.3 22.7 1.0 151 146 A H E -eF 125 161B 0 -27,-2.5 -25,-2.4 -2,-0.4 2,-0.4 -0.958 8.9-168.0-134.7 116.6 10.0 22.9 1.7 152 147 A I E -eF 126 160B 0 8,-3.2 8,-1.7 -2,-0.4 2,-0.4 -0.875 3.7-170.9-108.9 133.5 12.1 25.5 -0.0 153 148 A F E -eF 127 159B 0 -27,-2.8 -25,-2.4 -2,-0.4 2,-0.3 -0.932 6.0-158.7-114.6 146.5 15.9 25.7 -0.1 154 149 A S E > -e 128 0B 3 4,-1.9 3,-0.9 -2,-0.4 -25,-0.2 -0.748 30.3-114.8-113.1 172.7 18.0 28.6 -1.5 155 150 A F T 3 S+ 0 0 8 -27,-1.0 29,-0.1 -2,-0.3 -26,-0.1 0.646 113.5 57.1 -79.2 -16.3 21.5 28.6 -2.7 156 151 A T T 3 S- 0 0 93 2,-0.1 -1,-0.2 28,-0.0 -27,-0.0 0.234 123.2 -96.2 -99.4 7.4 22.6 30.9 0.2 157 152 A G S < S+ 0 0 29 -3,-0.9 2,-0.1 1,-0.3 -2,-0.1 0.354 78.7 132.6 104.1 -12.9 21.4 28.6 3.0 158 153 A E - 0 0 96 19,-0.1 -4,-1.9 -5,-0.0 -1,-0.3 -0.467 32.4-170.9 -71.6 150.5 17.9 30.1 3.7 159 154 A E E -F 153 0B 30 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.969 12.4-171.0-136.6 153.8 15.0 27.7 4.1 160 155 A M E +F 152 0B 47 -8,-1.7 -8,-3.2 -2,-0.3 2,-0.3 -0.966 11.9 176.1-143.5 131.3 11.2 28.1 4.4 161 156 A A E > -F 151 0B 6 -2,-0.3 3,-2.1 -10,-0.2 -10,-0.2 -0.976 40.3 -81.9-137.5 152.3 8.8 25.3 5.1 162 157 A T G > S- 0 0 20 -12,-2.1 3,-2.3 -2,-0.3 -13,-0.0 -0.205 112.1 -4.9 -51.7 130.1 5.1 25.0 5.7 163 158 A K G 3 S- 0 0 191 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.698 120.2 -75.2 57.2 23.8 4.0 25.9 9.3 164 159 A A G < S+ 0 0 77 -3,-2.1 2,-0.6 1,-0.2 -1,-0.3 0.811 97.2 141.4 57.0 31.6 7.7 26.2 10.2 165 160 A D < - 0 0 49 -3,-2.3 -1,-0.2 1,-0.1 -3,-0.1 -0.913 30.6-177.1-106.6 109.9 7.9 22.4 10.1 166 161 A Y - 0 0 66 -2,-0.6 2,-3.5 1,-0.1 -1,-0.1 0.421 17.6-152.8 -99.2 3.6 11.2 21.4 8.6 167 162 A T + 0 0 17 -6,-0.0 2,-0.2 -48,-0.0 -1,-0.1 -0.225 66.4 65.9 66.0 -56.4 10.6 17.6 8.6 168 163 A L S S- 0 0 12 -2,-3.5 -2,-0.1 1,-0.1 -115,-0.0 -0.563 87.5 -98.9-101.9 161.6 14.3 16.7 8.8 169 164 A D > - 0 0 54 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.212 40.6-105.3 -65.3 161.8 17.1 17.1 11.3 170 165 A E H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.863 117.6 57.7 -58.5 -40.8 19.6 19.9 11.0 171 166 A E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 106.4 48.5 -63.4 -41.8 22.4 17.6 9.8 172 167 A S H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.924 114.1 45.0 -62.1 -46.7 20.3 16.3 6.8 173 168 A R H X S+ 0 0 16 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.853 108.6 58.7 -69.2 -31.0 19.4 19.8 5.7 174 169 A A H X S+ 0 0 32 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.864 101.2 55.3 -63.6 -35.5 23.0 20.9 6.2 175 170 A R H X S+ 0 0 43 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.932 110.3 46.0 -61.8 -44.8 24.1 18.3 3.7 176 171 A I H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.932 113.2 48.1 -62.7 -47.4 21.7 19.8 1.1 177 172 A K H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.881 110.3 52.3 -63.2 -38.6 22.8 23.3 1.9 178 173 A T H X S+ 0 0 87 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.911 109.7 49.6 -62.2 -43.1 26.4 22.4 1.6 179 174 A R H X S+ 0 0 53 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.920 110.4 49.7 -62.3 -45.8 25.8 20.8 -1.8 180 175 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.866 110.4 50.6 -60.5 -37.0 24.0 23.9 -3.0 181 176 A F H X S+ 0 0 109 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.901 109.9 50.9 -70.8 -33.8 26.8 26.1 -1.9 182 177 A T H X S+ 0 0 64 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.907 109.9 49.2 -66.9 -44.0 29.3 23.8 -3.7 183 178 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.947 112.9 47.6 -60.8 -50.0 27.2 24.0 -6.9 184 179 A R H X S+ 0 0 69 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.911 112.6 48.8 -56.0 -46.7 27.1 27.9 -6.6 185 180 A Q H X S+ 0 0 86 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.907 112.4 47.5 -64.7 -40.5 30.8 28.2 -5.9 186 181 A E H X S+ 0 0 68 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.909 112.1 49.0 -69.0 -41.7 31.8 25.9 -8.9 187 182 A M H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 6,-0.6 0.916 110.5 52.9 -61.6 -41.7 29.5 27.7 -11.3 188 183 A A H ><5S+ 0 0 41 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.896 104.0 54.7 -62.5 -39.3 31.0 31.0 -10.0 189 184 A S H 3<5S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 111.8 45.6 -62.3 -28.0 34.5 29.7 -10.7 190 185 A R T 3<5S- 0 0 48 -4,-1.2 -186,-2.3 -3,-0.5 -1,-0.3 0.273 116.8-116.1 -96.3 4.3 33.4 29.0 -14.3 191 186 A S T < 5S+ 0 0 57 -3,-1.6 -3,-0.2 -188,-0.2 4,-0.2 0.775 86.8 113.4 64.6 28.7 31.7 32.4 -14.5 192 187 A L >< + 0 0 21 -5,-3.0 4,-1.8 -6,-0.2 -4,-0.2 0.562 51.4 78.1 -98.6 -13.4 28.3 30.7 -14.9 193 188 A W H > S+ 0 0 18 -6,-0.6 4,-3.3 2,-0.2 5,-0.3 0.920 83.9 56.0 -71.4 -49.1 26.6 31.8 -11.7 194 189 A D H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 115.1 40.2 -51.5 -47.9 25.5 35.4 -12.3 195 190 A S H > S+ 0 0 69 -4,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.870 113.9 53.1 -71.4 -38.2 23.5 34.4 -15.4 196 191 A F H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 3,-0.3 0.896 111.4 47.2 -60.7 -43.7 22.2 31.2 -13.8 197 192 A R H >< S+ 0 0 103 -4,-3.3 3,-1.0 1,-0.2 -2,-0.2 0.948 113.9 46.3 -64.7 -47.1 21.0 33.3 -10.8 198 193 A Q H 3< S+ 0 0 132 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.629 100.7 69.4 -69.7 -13.9 19.3 36.0 -12.9 199 194 A S T 3< 0 0 54 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.679 360.0 360.0 -81.6 -19.3 17.6 33.5 -15.3 200 195 A E < 0 0 69 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.951 360.0 360.0 -60.2 360.0 15.1 32.1 -12.8