==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 30-JUL-06 2HVQ . COMPND 2 MOLECULE: HYPOTHETICAL 37.6 KDA PROTEIN IN GP24-HOC . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.NANDAKUMAR,C.D.LIMA . 317 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 17.7 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 0 2 1 2 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 0 A S 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-135.8 -10.6 24.5 21.1 2 1 A M + 0 0 51 43,-0.1 44,-0.1 2,-0.0 94,-0.0 0.352 360.0 130.1-115.3 -0.3 -7.3 26.0 20.0 3 2 A F - 0 0 44 42,-0.1 2,-0.4 1,-0.0 93,-0.0 -0.269 33.5-175.5 -59.2 137.2 -5.1 23.7 22.2 4 3 A K - 0 0 62 119,-0.0 54,-0.1 54,-0.0 119,-0.1 -0.998 27.4-109.5-136.9 138.1 -2.2 21.9 20.5 5 4 A K - 0 0 144 -2,-0.4 2,-0.3 1,-0.1 52,-0.1 -0.174 35.2-111.4 -61.3 159.2 0.1 19.4 22.0 6 5 A Y - 0 0 22 50,-0.3 -1,-0.1 1,-0.1 2,-0.0 -0.676 37.4 -97.0 -93.1 148.8 3.7 20.3 22.7 7 6 A S - 0 0 12 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.334 36.1-125.9 -64.0 143.0 6.5 18.8 20.6 8 7 A S - 0 0 71 -3,-0.0 214,-0.5 -2,-0.0 2,-0.3 -0.667 24.3-136.0 -90.3 148.4 8.3 15.8 22.2 9 8 A L - 0 0 16 -2,-0.3 2,-0.3 212,-0.1 216,-0.2 -0.706 4.8-131.2-107.5 157.7 12.1 15.9 22.5 10 9 A E E -a 225 0A 45 214,-1.2 216,-3.5 -2,-0.3 2,-0.1 -0.819 27.9-108.5-106.7 145.0 14.8 13.3 21.9 11 10 A N E > -a 226 0A 35 -2,-0.3 3,-1.1 214,-0.2 216,-0.2 -0.424 18.3-129.6 -72.9 144.5 17.7 12.4 24.2 12 11 A H T 3 S+ 0 0 59 214,-2.3 215,-0.1 1,-0.3 -1,-0.1 0.691 106.3 61.0 -65.6 -22.2 21.2 13.6 23.5 13 12 A Y T 3 S+ 0 0 163 213,-0.3 2,-2.1 1,-0.1 -1,-0.3 0.690 72.8 107.5 -78.9 -18.8 22.6 10.1 24.0 14 13 A N <> - 0 0 39 -3,-1.1 4,-2.0 1,-0.2 5,-0.3 -0.384 50.6-177.1 -62.9 83.5 20.4 8.8 21.2 15 14 A S H > S+ 0 0 62 -2,-2.1 4,-3.8 1,-0.2 5,-0.4 0.919 75.3 52.4 -48.9 -57.9 23.3 8.3 18.7 16 15 A K H > S+ 0 0 126 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.889 109.1 50.7 -49.8 -46.7 21.2 7.2 15.8 17 16 A F H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.975 117.2 37.7 -57.2 -58.3 18.9 10.2 16.0 18 17 A I H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.3 -1,-0.2 0.893 117.8 51.2 -59.9 -39.8 21.7 12.7 16.1 19 18 A E H X S+ 0 0 121 -4,-3.8 4,-3.1 -5,-0.3 -1,-0.3 0.879 109.9 51.6 -63.2 -35.7 23.6 10.6 13.6 20 19 A K H X S+ 0 0 88 -4,-3.0 4,-3.1 -5,-0.4 -2,-0.3 0.932 107.3 51.4 -64.9 -45.5 20.4 10.8 11.7 21 20 A L H <>S+ 0 0 1 -4,-3.0 5,-3.4 1,-0.2 4,-0.3 0.860 112.3 47.0 -60.5 -36.0 20.4 14.5 12.1 22 21 A Y H ><5S+ 0 0 93 -4,-2.3 3,-1.4 3,-0.2 5,-0.2 0.959 112.8 47.7 -69.2 -51.9 24.0 14.5 10.7 23 22 A S H 3<5S+ 0 0 89 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.931 112.1 49.2 -53.6 -51.1 23.2 12.2 7.8 24 23 A L T 3<5S- 0 0 87 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.549 114.7-118.6 -68.1 -7.3 20.1 14.2 6.8 25 24 A G T < 5S+ 0 0 58 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.2 0.910 73.6 132.2 69.6 43.0 22.2 17.4 7.0 26 25 A L < + 0 0 47 -5,-3.4 -4,-0.2 -6,-0.2 -5,-0.1 -0.063 45.9 84.8-114.7 31.4 20.1 19.0 9.8 27 26 A T S S+ 0 0 34 -5,-0.2 132,-0.6 -6,-0.2 133,-0.2 0.664 70.5 80.2-106.6 -23.1 23.0 20.0 12.0 28 27 A G + 0 0 53 -3,-0.2 2,-0.1 130,-0.1 130,-0.0 -0.106 61.4 61.1 -79.6-178.6 24.1 23.3 10.6 29 28 A G S S- 0 0 46 182,-0.1 130,-0.5 2,-0.0 2,-0.5 -0.282 96.5 -40.4 92.6 177.9 22.6 26.8 11.1 30 29 A E - 0 0 79 128,-0.1 182,-3.0 -2,-0.1 183,-0.5 -0.689 61.9-172.2 -85.3 126.5 22.3 28.8 14.3 31 30 A W E -BC 157 211A 3 126,-3.0 126,-2.2 -2,-0.5 2,-0.4 -0.688 8.6-144.1-112.6 168.8 21.2 26.8 17.4 32 31 A V E -BC 156 210A 1 178,-3.0 178,-2.0 124,-0.2 2,-0.4 -0.994 2.6-154.8-140.2 142.4 20.2 27.7 20.9 33 32 A A E +BC 155 209A 0 122,-2.6 121,-3.6 -2,-0.4 122,-0.8 -0.947 15.5 171.0-118.9 135.8 20.6 26.3 24.4 34 33 A R E -BC 153 208A 11 174,-1.6 174,-2.8 -2,-0.4 119,-0.2 -0.993 39.9 -95.4-140.9 143.5 18.3 26.9 27.4 35 34 A E E - C 0 207A 1 117,-1.8 2,-0.7 -2,-0.3 172,-0.3 -0.262 31.5-126.3 -61.0 139.9 18.2 25.3 30.8 36 35 A X - 0 0 53 170,-2.7 169,-0.8 191,-0.2 170,-0.4 -0.836 27.4-152.7 -88.7 113.0 15.8 22.4 31.3 37 36 A I - 0 0 0 -2,-0.7 2,-1.4 81,-0.1 64,-0.1 -0.793 10.3-135.4 -87.6 133.2 13.8 23.4 34.4 38 37 A H S S+ 0 0 47 -2,-0.4 74,-0.1 62,-0.1 69,-0.1 -0.643 71.0 94.2 -92.6 82.0 12.4 20.5 36.4 39 38 A G S S- 0 0 6 -2,-1.4 2,-0.3 63,-0.1 63,-0.2 0.048 81.7 -69.4-129.0-116.2 8.8 21.7 37.1 40 39 A T E -E 101 0B 29 61,-1.2 61,-2.8 -2,-0.1 59,-0.1 -0.985 43.6 -96.1-155.3 142.4 5.8 20.8 34.9 41 40 A N E +E 100 0B 2 -2,-0.3 15,-0.5 59,-0.2 2,-0.3 -0.292 48.8 168.8 -57.8 135.4 4.6 21.7 31.4 42 41 A F E -EF 99 55B 0 57,-2.0 57,-2.2 13,-0.2 2,-0.3 -0.979 11.2-171.7-152.3 137.5 2.1 24.5 31.4 43 42 A S E -EF 98 54B 0 11,-2.7 11,-2.4 -2,-0.3 2,-0.6 -0.966 19.4-144.8-136.9 153.4 0.6 26.6 28.6 44 43 A L E -EF 97 53B 0 53,-1.7 53,-2.3 -2,-0.3 2,-1.3 -0.947 13.5-155.5-113.9 107.7 -1.5 29.7 28.2 45 44 A I E -EF 96 52B 1 7,-2.9 7,-1.9 -2,-0.6 2,-0.7 -0.731 18.9-161.5 -84.9 95.1 -3.9 29.4 25.2 46 45 A I E +EF 95 51B 0 49,-3.1 49,-2.1 -2,-1.3 2,-0.3 -0.720 15.8 171.0 -87.7 112.9 -4.4 33.2 24.5 47 46 A E E > - F 0 50B 28 3,-2.8 3,-0.7 -2,-0.7 47,-0.1 -0.802 46.3-107.8-115.4 158.7 -7.4 34.0 22.3 48 47 A R T 3 S+ 0 0 78 45,-0.4 40,-0.1 -2,-0.3 -1,-0.1 0.834 119.0 32.1 -53.9 -36.2 -8.8 37.5 21.6 49 48 A D T 3 S+ 0 0 130 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.459 128.1 0.8-103.8 -3.3 -11.8 36.9 23.8 50 49 A K E < -F 47 0B 99 -3,-0.7 -3,-2.8 2,-0.0 2,-0.4 -0.989 56.0-124.0-169.8 174.4 -10.4 34.6 26.5 51 50 A V E -F 46 0B 49 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.999 17.7-161.1-135.4 132.3 -7.4 32.7 28.0 52 51 A T E -F 45 0B 27 -7,-1.9 -7,-2.9 -2,-0.4 2,-0.4 -0.965 10.5-145.3-119.8 126.0 -7.3 29.0 28.8 53 52 A C E +F 44 0B 12 -2,-0.5 7,-3.6 7,-0.2 2,-0.3 -0.739 28.7 176.7 -86.5 132.0 -4.8 27.4 31.2 54 53 A A E -FG 43 59B 0 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.2 -0.957 24.5-147.7-137.7 154.9 -3.6 24.0 30.1 55 54 A K E > -FG 42 58B 49 3,-2.6 3,-2.9 -2,-0.3 -13,-0.2 -0.530 56.6 -75.6-107.0-179.4 -1.2 21.2 31.1 56 55 A R T 3 S+ 0 0 114 -15,-0.5 -50,-0.3 1,-0.3 -14,-0.1 0.753 134.8 50.0 -53.4 -23.2 0.5 19.0 28.6 57 56 A T T 3 S- 0 0 89 1,-0.3 -1,-0.3 -52,-0.1 -52,-0.1 0.352 122.7 -88.7 -96.3 5.5 -2.7 17.0 28.1 58 57 A G E < S+G 55 0B 3 -3,-2.9 -3,-2.6 -54,-0.1 -1,-0.3 -0.613 75.8 2.2 121.3-179.9 -4.9 20.1 27.5 59 58 A P E -G 54 0B 51 0, 0.0 2,-0.5 0, 0.0 -5,-0.3 -0.029 68.2-118.8 -43.7 136.0 -7.1 22.7 29.2 60 59 A I - 0 0 15 -7,-3.6 -7,-0.2 1,-0.1 6,-0.0 -0.698 31.9-120.6 -83.1 125.2 -7.2 22.5 33.0 61 60 A L > - 0 0 110 -2,-0.5 3,-2.7 1,-0.1 -1,-0.1 -0.338 18.3-113.8 -68.6 146.3 -10.7 21.9 34.2 62 61 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.831 119.2 39.0 -44.4 -45.8 -12.5 24.4 36.6 63 62 A A T 3 S+ 0 0 105 2,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.339 94.8 115.7 -90.9 7.0 -12.6 21.9 39.5 64 63 A E < - 0 0 50 -3,-2.7 2,-0.6 2,-0.0 -4,-0.0 -0.617 57.9-145.8 -83.0 134.7 -9.1 20.6 38.6 65 64 A D + 0 0 142 -2,-0.3 2,-0.2 3,-0.1 -4,-0.1 -0.881 25.3 167.2 -99.6 120.6 -6.3 21.1 41.1 66 65 A F > - 0 0 23 -2,-0.6 3,-1.5 -6,-0.0 -2,-0.0 -0.654 68.2 -64.7-139.1 81.0 -2.9 21.7 39.4 67 66 A F T 3 S- 0 0 72 1,-0.3 39,-0.1 -2,-0.2 -2,-0.1 0.661 92.4 -68.9 52.3 21.6 -0.2 23.0 41.8 68 67 A G T > S+ 0 0 31 1,-0.1 3,-1.8 2,-0.1 -1,-0.3 0.913 73.4 170.3 66.3 40.8 -2.1 26.2 42.4 69 68 A Y T X> + 0 0 27 -3,-1.5 3,-2.0 1,-0.3 4,-1.0 0.625 58.1 90.2 -59.0 -14.7 -1.5 27.4 38.8 70 69 A E H 3> S+ 0 0 116 1,-0.3 4,-2.6 2,-0.2 3,-0.4 0.847 74.6 67.4 -51.4 -36.7 -3.9 30.2 39.6 71 70 A I H <> S+ 0 0 2 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.763 94.9 54.4 -59.3 -27.2 -0.9 32.2 40.7 72 71 A I H <> S+ 0 0 0 -3,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.887 108.8 48.3 -73.3 -38.1 0.5 32.4 37.2 73 72 A L H X S+ 0 0 47 -4,-1.0 4,-0.7 -3,-0.4 -2,-0.2 0.940 113.9 48.0 -64.0 -45.7 -2.8 33.8 36.0 74 73 A K H < S+ 0 0 106 -4,-2.6 3,-0.5 1,-0.2 4,-0.2 0.908 116.2 42.4 -61.5 -45.2 -2.7 36.3 38.9 75 74 A N H < S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.736 122.9 37.1 -76.8 -24.0 0.9 37.3 38.2 76 75 A Y H X S+ 0 0 21 -4,-2.1 4,-2.6 -5,-0.1 5,-0.2 0.204 76.2 115.2-115.3 17.3 0.6 37.5 34.4 77 76 A A H X S+ 0 0 53 -4,-0.7 4,-2.4 -3,-0.5 5,-0.2 0.920 83.0 45.4 -50.4 -50.8 -2.9 38.9 34.0 78 77 A D H > S+ 0 0 142 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.830 110.5 53.1 -65.2 -33.6 -1.5 42.1 32.4 79 78 A S H > S+ 0 0 12 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.959 112.0 46.3 -64.7 -48.9 0.9 40.3 30.1 80 79 A I H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.920 112.6 47.7 -58.7 -50.5 -1.9 38.1 28.8 81 80 A K H X S+ 0 0 116 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.853 109.2 56.8 -61.0 -33.6 -4.3 41.0 28.3 82 81 A A H < S+ 0 0 34 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.855 106.9 47.8 -66.5 -36.1 -1.4 42.9 26.6 83 82 A V H >< S+ 0 0 0 -4,-1.7 3,-1.6 -3,-0.3 4,-0.5 0.925 108.9 54.4 -69.0 -44.0 -1.1 40.0 24.1 84 83 A Q H >X S+ 0 0 35 -4,-2.4 3,-1.0 1,-0.3 4,-0.5 0.827 96.4 67.4 -59.0 -32.2 -4.8 40.1 23.5 85 84 A D T 3< S+ 0 0 113 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.659 103.5 43.6 -65.6 -15.3 -4.7 43.8 22.6 86 85 A I T <> S+ 0 0 60 -3,-1.6 4,-2.4 -4,-0.3 -1,-0.2 0.462 90.2 85.3-108.7 -2.1 -2.7 43.1 19.4 87 86 A M H <>>S+ 0 0 0 -3,-1.0 5,-1.3 -4,-0.5 4,-0.7 0.889 83.3 55.6 -68.9 -41.0 -4.6 40.1 18.0 88 87 A E H <5S+ 0 0 161 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.858 118.5 37.4 -58.7 -34.4 -7.4 41.9 16.1 89 88 A T H 45S+ 0 0 130 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.833 112.4 53.8 -86.2 -38.6 -4.7 43.8 14.3 90 89 A S H <5S- 0 0 47 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.470 103.7-127.8 -77.6 -0.6 -2.0 41.1 13.8 91 90 A A T <5 + 0 0 40 -4,-0.7 36,-1.9 1,-0.2 2,-0.4 0.822 64.2 137.5 58.4 30.5 -4.7 38.9 12.2 92 91 A V E < - H 0 126B 9 -5,-1.3 34,-0.3 34,-0.2 -1,-0.2 -0.858 38.7-170.2-106.1 143.7 -3.7 36.2 14.7 93 92 A V E + 0 0 42 32,-2.6 -45,-0.4 -2,-0.4 2,-0.3 0.478 69.5 21.6-110.3 -6.6 -6.5 34.2 16.3 94 93 A S E - H 0 125B 1 31,-1.3 31,-2.0 -47,-0.1 2,-0.5 -0.903 46.2-172.0-167.8 134.2 -4.3 32.4 18.9 95 94 A Y E -EH 46 124B 23 -49,-2.1 -49,-3.1 -2,-0.3 2,-0.8 -0.984 13.5-164.8-123.5 115.2 -1.0 32.4 20.8 96 95 A Q E -EH 45 123B 2 27,-2.9 27,-2.3 -2,-0.5 2,-0.7 -0.903 8.8-159.8-104.8 111.0 -0.2 29.3 22.8 97 96 A V E -EH 44 122B 0 -53,-2.3 -53,-1.7 -2,-0.8 2,-0.4 -0.806 6.0-164.6 -94.9 108.4 2.6 30.1 25.2 98 97 A F E +EH 43 121B 1 23,-2.3 22,-2.6 -2,-0.7 23,-1.4 -0.748 24.8 135.5 -94.5 136.8 4.5 27.1 26.4 99 98 A G E -EH 42 119B 0 -57,-2.2 -57,-2.0 -2,-0.4 2,-0.5 -0.909 53.1 -85.4-160.1-176.4 6.8 27.2 29.4 100 99 A E E -EH 41 118B 5 18,-2.3 18,-2.2 -2,-0.3 2,-0.7 -0.923 26.7-149.0-110.6 123.6 7.7 25.4 32.6 101 100 A F E +EH 40 117B 0 -61,-2.8 -61,-1.2 -2,-0.5 2,-0.3 -0.812 36.3 163.2 -88.6 113.6 5.7 26.1 35.8 102 101 A A E + H 0 116B 0 14,-2.4 14,-2.8 -2,-0.7 -63,-0.1 -0.930 8.3 93.7-135.7 159.3 8.2 25.6 38.6 103 102 A G S >> S- 0 0 2 -2,-0.3 3,-1.7 12,-0.3 4,-0.7 -0.925 73.5 -17.0 150.8-174.9 8.6 26.4 42.3 104 103 A P B 34 S+k 107 0C 14 0, 0.0 11,-0.1 0, 0.0 4,-0.1 -0.371 126.1 17.8 -59.6 127.6 8.2 25.0 45.9 105 104 A G T 34 S+ 0 0 46 2,-0.6 3,-0.1 -2,-0.1 -38,-0.1 0.199 99.1 91.4 98.6 -18.4 5.8 22.0 45.8 106 105 A I T <4 S- 0 0 7 -3,-1.7 2,-0.3 1,-0.2 -67,-0.1 0.920 105.7 -6.9 -77.3 -44.9 5.9 21.1 42.1 107 106 A Q B < S-k 104 0C 75 -4,-0.7 -2,-0.6 -69,-0.1 2,-0.3 -0.833 85.7 -98.1-136.1 176.0 8.8 18.7 42.4 108 107 A K S S+ 0 0 165 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.788 91.6 11.1-104.9 146.8 11.0 17.8 45.3 109 108 A N S S+ 0 0 134 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.857 87.4 128.1 63.0 44.6 14.5 19.1 46.0 110 109 A V - 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D 0 206A 60 -2,-0.9 2,-0.3 -22,-0.3 -22,-0.2 -0.595 28.1-138.7-103.0 163.9 20.2 15.6 30.6 229 228 A N > - 0 0 20 -24,-1.0 4,-0.6 -62,-0.4 3,-0.0 -0.783 13.1-136.1-115.9 161.6 22.6 14.2 33.2 230 229 A S H > S+ 0 0 99 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.604 95.0 78.2 -93.0 -13.3 22.1 11.2 35.5 231 230 A K H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 91.8 55.8 -58.1 -44.0 23.5 13.0 38.5 232 231 A F H 4 S+ 0 0 44 1,-0.2 -1,-0.2 -28,-0.2 -2,-0.2 0.950 107.8 45.9 -51.4 -58.5 20.1 14.7 38.8 233 232 A S H < S+ 0 0 97 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.923 113.5 52.2 -51.5 -50.5 18.2 11.4 38.9 234 233 A E H < 0 0 65 -4,-2.5 -2,-0.2 0, 0.0 -3,-0.1 0.972 360.0 360.0 -50.9 -79.5 20.6 10.0 41.5 235 234 A K < 0 0 102 -4,-1.8 -3,-0.1 -5,-0.1 -4,-0.0 0.679 360.0 360.0 -70.7 360.0 20.6 12.7 44.1 236 ! 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 0.0 237 244 A K > 0 0 108 0, 0.0 3,-1.2 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 101.1 10.2 18.3 65.0 238 245 A V T 3 + 0 0 150 1,-0.3 7,-0.0 7,-0.0 4,-0.0 0.779 360.0 67.8 -68.7 -27.3 8.2 16.7 67.8 239 246 A E T 3 S+ 0 0 102 2,-0.0 2,-0.3 64,-0.0 -1,-0.3 0.689 100.3 62.1 -66.0 -16.3 7.1 20.2 69.0 240 247 A L S < S- 0 0 8 -3,-1.2 5,-0.0 1,-0.1 0, 0.0 -0.862 88.3-116.6-113.4 147.1 5.1 20.3 65.8 241 248 A S > - 0 0 44 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 0.056 37.9 -91.5 -68.7-177.6 2.2 18.1 64.7 242 249 A E H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.941 127.4 42.4 -62.2 -50.3 2.1 15.7 61.7 243 250 A A H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 112.5 53.6 -62.6 -50.8 0.6 18.4 59.4 244 251 A D H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.886 106.3 51.6 -53.1 -46.5 2.9 21.2 60.7 245 252 A N H X S+ 0 0 46 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.975 112.5 45.3 -54.7 -56.8 6.1 19.2 60.1 246 253 A K H X S+ 0 0 119 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.780 114.3 53.2 -56.0 -27.8 5.0 18.5 56.5 247 254 A L H >X S+ 0 0 27 -4,-1.8 4,-1.6 2,-0.2 3,-0.7 0.930 103.7 52.3 -74.7 -48.4 4.0 22.2 56.4 248 255 A V H 3X S+ 0 0 9 -4,-3.2 4,-3.1 1,-0.3 5,-0.2 0.838 100.4 63.3 -57.9 -35.9 7.4 23.6 57.6 249 256 A G H 3< S+ 0 0 45 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.3 0.911 104.0 49.8 -55.9 -40.0 9.2 21.6 54.9 250 257 A I H X< S+ 0 0 56 -4,-0.7 3,-2.4 -3,-0.7 -2,-0.2 0.985 112.1 44.2 -60.0 -62.7 7.3 23.7 52.4 251 258 A L H >< S+ 0 0 5 -4,-1.6 3,-3.6 1,-0.3 4,-0.4 0.866 99.7 70.0 -51.5 -43.3 8.1 27.1 53.9 252 259 A A G >< S+ 0 0 33 -4,-3.1 3,-0.9 1,-0.3 -1,-0.3 0.728 88.3 70.4 -49.3 -20.1 11.7 26.1 54.3 253 260 A C G < S+ 0 0 55 -3,-2.4 -1,-0.3 -4,-0.4 -2,-0.2 0.617 92.7 53.7 -74.7 -13.7 11.7 26.4 50.5 254 261 A Y G < S+ 0 0 3 -3,-3.6 2,-1.3 -4,-0.2 -1,-0.2 0.402 79.7 101.9-101.1 1.5 11.4 30.1 50.6 255 262 A V < + 0 0 28 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.1 -0.723 55.2 134.9 -88.3 93.3 14.4 30.6 52.9 256 263 A T > - 0 0 14 -2,-1.3 4,-1.6 1,-0.1 59,-0.1 -0.818 67.5-114.0-134.2 173.3 17.0 31.7 50.4 257 264 A L H > S+ 0 0 98 -2,-0.3 4,-3.3 2,-0.2 5,-0.3 0.867 110.9 63.8 -77.0 -38.6 19.7 34.3 49.8 258 265 A N H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.961 108.1 41.2 -47.8 -59.8 17.8 36.0 47.0 259 266 A R H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 113.5 53.8 -55.1 -49.6 15.0 36.9 49.4 260 267 A V H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.880 112.7 43.8 -53.1 -42.7 17.4 37.9 52.1 261 268 A N H X S+ 0 0 74 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.865 108.6 56.9 -72.5 -36.8 19.2 40.3 49.7 262 269 A N H X S+ 0 0 29 -4,-2.6 4,-1.1 -5,-0.3 -2,-0.2 0.875 107.5 50.9 -61.2 -36.9 16.0 41.7 48.3 263 270 A V H >< S+ 0 0 8 -4,-2.3 3,-1.1 -5,-0.2 4,-0.2 0.986 110.1 46.7 -63.4 -59.2 15.1 42.6 51.9 264 271 A I H >< S+ 0 0 72 -4,-1.9 3,-3.4 1,-0.3 -2,-0.2 0.907 105.5 59.9 -49.1 -50.7 18.4 44.4 52.6 265 272 A S H 3< S+ 0 0 76 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.847 104.4 51.6 -47.7 -38.2 18.2 46.3 49.3 266 273 A K T << 0 0 169 -4,-1.1 -1,-0.3 -3,-1.1 -2,-0.2 0.408 360.0 360.0 -81.2 1.5 14.9 47.8 50.5 267 274 A I < 0 0 98 -3,-3.4 -2,-0.2 -4,-0.2 -3,-0.2 0.377 360.0 360.0-145.4 360.0 16.6 48.9 53.8 268 ! 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 0.0 269 278 A G 0 0 96 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.3 25.2 47.5 57.2 270 279 A P + 0 0 119 0, 0.0 3,-0.2 0, 0.0 49,-0.1 0.239 360.0 91.8-102.5 12.1 24.8 43.8 58.3 271 280 A K + 0 0 175 1,-0.2 3,-0.2 2,-0.1 0, 0.0 0.265 63.9 84.5 -90.2 13.7 24.9 44.4 62.0 272 281 A D >> + 0 0 68 -3,-0.3 4,-1.5 1,-0.2 3,-0.9 -0.294 55.1 157.9-107.3 44.4 21.1 44.7 62.3 273 282 A F H 3> + 0 0 95 1,-0.2 4,-1.4 -3,-0.2 5,-0.3 0.823 66.2 47.8 -33.0 -63.9 20.7 40.9 62.5 274 283 A G H 3> S+ 0 0 50 1,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.832 108.3 54.4 -55.0 -39.5 17.3 40.9 64.1 275 284 A K H <> S+ 0 0 119 -3,-0.9 4,-2.1 2,-0.2 5,-0.3 0.957 105.2 50.6 -62.3 -54.8 15.7 43.4 61.8 276 285 A V H >X S+ 0 0 14 -4,-1.5 4,-2.5 1,-0.3 3,-0.6 0.950 112.3 45.2 -48.9 -61.5 16.5 41.6 58.5 277 286 A M H 3X S+ 0 0 15 -4,-1.4 4,-2.7 1,-0.3 5,-0.3 0.816 108.7 61.4 -55.0 -29.3 15.2 38.2 59.6 278 287 A G H 3X S+ 0 0 42 -4,-1.3 4,-1.1 -5,-0.3 -1,-0.3 0.944 111.4 35.8 -62.3 -47.6 12.2 40.1 60.9 279 288 A L H S+ 0 0 5 -4,-2.9 5,-2.1 2,-0.2 -1,-0.2 0.908 109.7 49.5 -69.2 -41.7 3.2 32.0 50.7 289 298 A S H ><5S+ 0 0 78 -4,-2.1 3,-1.1 -5,-0.3 -1,-0.2 0.838 108.8 54.6 -64.3 -34.3 -0.2 33.5 51.5 290 299 A R H 3<5S+ 0 0 106 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.909 103.2 54.8 -66.4 -42.7 -0.2 35.0 48.0 291 300 A E T 3<5S- 0 0 11 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.260 126.3-100.9 -76.7 14.4 0.4 31.7 46.4 292 301 A G T < 5S+ 0 0 57 -3,-1.1 2,-2.1 1,-0.2 -3,-0.2 0.391 82.6 132.4 85.5 -4.7 -2.7 30.3 48.2 293 302 A I < - 0 0 43 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.494 40.7-171.2 -81.7 74.1 -0.9 28.5 51.0 294 303 A T - 0 0 65 -2,-2.1 4,-0.1 -5,-0.1 -4,-0.0 0.009 18.8-158.7 -56.0 171.9 -3.0 29.9 53.8 295 304 A L + 0 0 42 2,-0.1 3,-0.3 3,-0.1 -1,-0.1 0.398 68.7 96.8-134.5 -6.0 -2.0 29.2 57.4 296 305 A T S S+ 0 0 124 1,-0.2 -2,-0.1 5,-0.0 -1,-0.0 0.301 86.8 57.2 -70.1 13.0 -5.2 29.8 59.3 297 306 A Q S S+ 0 0 137 4,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.760 80.6 99.5-108.2 -45.8 -5.5 26.0 59.1 298 307 A A S S- 0 0 23 -3,-0.3 -3,-0.1 -4,-0.1 -4,-0.0 0.106 72.7-127.4 -41.8 156.0 -2.3 24.8 60.8 299 308 A D S S+ 0 0 111 1,-0.2 -1,-0.1 2,-0.1 -59,-0.0 0.991 96.7 19.0 -74.6 -66.5 -2.4 23.7 64.4 300 309 A N > + 0 0 72 1,-0.2 4,-1.9 2,-0.1 -1,-0.2 -0.735 68.3 166.7-111.3 84.5 0.3 25.8 66.0 301 310 A P H > S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.769 73.0 57.4 -65.1 -32.6 1.0 28.7 63.7 302 311 A S H > S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.894 109.5 44.7 -68.4 -40.7 3.0 30.8 66.2 303 312 A L H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.946 109.3 55.1 -68.4 -47.0 5.6 28.0 66.7 304 313 A I H X S+ 0 0 2 -4,-1.9 4,-1.3 1,-0.3 3,-0.4 0.911 107.1 53.3 -49.5 -44.8 5.8 27.4 63.0 305 314 A K H X S+ 0 0 124 -4,-1.9 4,-1.7 1,-0.3 3,-0.3 0.883 106.5 50.1 -58.3 -43.0 6.6 31.0 62.6 306 315 A K H X S+ 0 0 126 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.3 0.765 102.5 62.7 -68.9 -23.8 9.5 30.7 65.2 307 316 A E H X S+ 0 0 16 -4,-1.8 4,-2.1 -3,-0.4 -1,-0.2 0.888 104.7 47.6 -66.1 -37.9 10.7 27.8 63.2 308 317 A L H X S+ 0 0 2 -4,-1.3 4,-3.2 -3,-0.3 5,-0.2 0.896 105.6 56.3 -68.7 -44.0 11.3 30.2 60.3 309 318 A V H X S+ 0 0 53 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.925 111.2 46.3 -54.0 -45.0 13.0 32.8 62.4 310 319 A K H X S+ 0 0 104 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.937 112.9 46.9 -63.5 -50.8 15.5 30.1 63.4 311 320 A M H X S+ 0 0 57 -4,-2.1 4,-0.9 1,-0.2 3,-0.4 0.900 110.1 55.7 -59.5 -40.7 16.0 28.8 59.8 312 321 A V H >< S+ 0 0 0 -4,-3.2 3,-0.5 1,-0.2 -1,-0.2 0.869 106.4 48.7 -61.2 -38.9 16.5 32.3 58.6 313 322 A Q H >X S+ 0 0 66 -4,-1.6 4,-1.7 1,-0.2 3,-0.7 0.733 102.2 63.8 -74.7 -20.5 19.3 33.1 61.0 314 323 A D H 3< S+ 0 0 71 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.779 104.6 46.4 -71.9 -25.7 21.0 29.8 60.0 315 324 A V T << S+ 0 0 38 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.377 112.4 53.9 -94.6 2.4 21.4 31.3 56.5 316 325 A L T X4 S+ 0 0 24 -3,-0.7 3,-0.9 -5,-0.1 -2,-0.2 0.711 85.5 76.5-105.7 -29.6 22.6 34.5 58.0 317 326 A R T 3< S+ 0 0 212 -4,-1.7 2,-0.6 1,-0.3 -2,-0.1 0.830 80.4 73.2 -54.0 -33.8 25.5 33.4 60.2 318 327 A P T 3 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.147 360.0 360.0 -71.3 29.2 27.7 32.9 57.2 319 328 A A < 0 0 121 -3,-0.9 -2,-0.2 -2,-0.6 -3,-0.1 0.445 360.0 360.0-145.5 360.0 27.9 36.7 57.0