==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-MAY-05 2CSU . COMPND 2 MOLECULE: 457AA LONG HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SUGAHARA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 869 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 640 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 62 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 1 0 0 0 3 5 3 3 1 7 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 6 6 8 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 PARALLEL BRIDGES PER LADDER . 1 3 1 3 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 . 2 0 0 0 2 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 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 X 0 0 198 0, 0.0 89,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.6 13.3 6.1 20.9 2 2 A L + 0 0 13 1,-0.1 4,-0.4 88,-0.0 3,-0.0 0.580 360.0 96.5 64.5 2.1 10.8 3.3 20.5 3 3 A D >> + 0 0 68 2,-0.2 4,-2.4 1,-0.2 3,-1.1 0.817 66.4 66.3 -88.3 -36.0 9.6 5.3 17.5 4 4 A Y T 34 S+ 0 0 34 1,-0.3 -1,-0.2 2,-0.2 87,-0.2 0.580 95.1 65.3 -60.4 -7.3 11.6 3.4 14.9 5 5 A F T 34 S+ 0 0 0 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.875 114.7 23.7 -78.8 -42.1 9.3 0.6 15.9 6 6 A F T <4 S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-0.4 131,-0.1 0.534 134.4 35.5-104.4 -10.0 6.1 2.1 14.6 7 7 A N S < S+ 0 0 48 -4,-2.4 -1,-0.2 132,-0.0 -2,-0.1 -0.343 80.1 171.2-139.2 57.0 7.6 4.5 12.0 8 8 A P - 0 0 1 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 -0.389 27.6-158.9 -72.1 146.3 10.6 2.7 10.6 9 9 A K S S+ 0 0 159 1,-0.3 29,-1.7 28,-0.1 2,-0.3 0.605 84.3 23.4 -96.8 -18.2 12.5 4.0 7.5 10 10 A G E S-a 38 0A 0 27,-0.2 57,-1.8 53,-0.1 56,-1.7 -0.903 70.2-165.3-153.3 119.5 14.0 0.6 6.6 11 11 A I E -ab 39 67A 0 27,-3.3 29,-3.1 -2,-0.3 2,-0.5 -0.911 4.3-163.1-113.0 132.6 12.7 -2.8 7.6 12 12 A A E -ab 40 68A 0 55,-2.8 57,-3.1 -2,-0.5 2,-0.8 -0.946 4.0-162.5-110.6 122.0 14.5 -6.1 7.3 13 13 A V E > -ab 41 69A 0 27,-2.4 29,-2.8 -2,-0.5 3,-1.2 -0.886 9.6-161.3-106.0 102.6 12.4 -9.2 7.5 14 14 A I E 3 S+ab 42 70A 11 55,-2.5 57,-2.8 -2,-0.8 29,-0.2 -0.747 79.4 26.3 -88.5 108.1 14.8 -12.0 8.3 15 15 A G T 3 S+ 0 0 12 27,-3.0 -1,-0.2 -2,-0.9 28,-0.2 0.432 78.3 165.4 117.9 6.8 13.1 -15.2 7.4 16 16 A A < - 0 0 0 -3,-1.2 2,-0.3 26,-0.8 9,-0.2 -0.314 21.8-166.9 -52.5 138.4 10.9 -13.8 4.7 17 17 A S - 0 0 9 7,-0.4 11,-0.1 5,-0.1 32,-0.1 -0.912 42.0-148.0-136.2 161.2 9.6 -16.8 2.7 18 18 A N S S+ 0 0 55 -2,-0.3 -1,-0.1 31,-0.1 -2,-0.1 0.485 79.4 97.3 -98.8 -9.2 7.9 -17.9 -0.5 19 19 A D > - 0 0 73 1,-0.1 3,-1.8 2,-0.0 6,-0.4 -0.745 66.3-153.5 -85.5 113.4 6.3 -20.8 1.4 20 20 A P T 3 S+ 0 0 69 0, 0.0 781,-0.6 0, 0.0 782,-0.4 0.666 90.6 65.7 -59.6 -19.5 2.8 -19.9 2.5 21 21 A K T 3 S+ 0 0 125 780,-0.2 2,-0.3 779,-0.1 782,-0.1 0.568 88.6 83.8 -81.3 -10.0 2.9 -22.3 5.4 22 22 A K S X> S- 0 0 123 -3,-1.8 3,-1.4 1,-0.1 4,-1.0 -0.760 77.7-133.3-100.6 142.6 5.7 -20.3 7.1 23 23 A L H 3> S+ 0 0 59 -2,-0.3 4,-2.0 1,-0.3 3,-0.2 0.848 105.9 63.9 -58.3 -36.9 5.2 -17.3 9.4 24 24 A G H 3> S+ 0 0 1 47,-0.3 4,-1.8 1,-0.2 -7,-0.4 0.780 97.2 59.0 -58.5 -26.5 7.9 -15.4 7.5 25 25 A Y H <> S+ 0 0 44 -3,-1.4 4,-2.1 -6,-0.4 -1,-0.2 0.935 107.0 44.2 -68.1 -47.8 5.7 -15.6 4.4 26 26 A E H X S+ 0 0 25 -4,-1.0 4,-2.7 -3,-0.2 116,-0.2 0.835 110.3 56.1 -66.8 -35.4 2.8 -13.7 6.1 27 27 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 115,-0.2 0.947 112.0 40.2 -65.4 -48.3 5.1 -11.1 7.6 28 28 A F H X S+ 0 0 2 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.906 114.2 55.1 -67.3 -38.5 6.6 -10.1 4.4 29 29 A K H >< S+ 0 0 73 -4,-2.1 3,-1.0 1,-0.2 4,-0.2 0.938 110.0 45.9 -55.3 -48.5 3.3 -10.3 2.6 30 30 A N H >< S+ 0 0 14 -4,-2.7 3,-1.3 112,-0.3 110,-0.3 0.858 108.5 56.7 -64.5 -35.8 1.7 -8.0 5.2 31 31 A L H >< S+ 0 0 1 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.562 83.7 82.7 -76.9 -3.3 4.7 -5.5 5.0 32 32 A K T << S+ 0 0 86 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.698 86.2 59.6 -69.9 -16.8 4.2 -5.1 1.2 33 33 A E T < S+ 0 0 107 -3,-1.3 2,-0.8 -4,-0.2 -1,-0.3 0.472 83.6 96.4 -86.2 -3.8 1.5 -2.6 2.1 34 34 A Y < + 0 0 9 -3,-1.5 5,-0.1 1,-0.2 104,-0.1 -0.778 36.1 151.8 -94.2 108.2 4.1 -0.5 4.0 35 35 A K + 0 0 167 -2,-0.8 -1,-0.2 102,-0.3 103,-0.1 0.418 52.8 85.8-115.9 -4.2 5.3 2.3 1.7 36 36 A K S S+ 0 0 151 101,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.417 109.5 13.2 -74.9 5.0 6.3 5.0 4.2 37 37 A G S S- 0 0 14 -3,-0.1 2,-0.3 -26,-0.0 -27,-0.2 -0.967 92.5 -88.3-170.9 159.8 9.6 3.1 4.3 38 38 A K E -a 10 0A 124 -29,-1.7 -27,-3.3 -2,-0.3 2,-0.5 -0.563 31.1-158.5 -83.8 141.2 11.5 0.4 2.4 39 39 A V E -a 11 0A 25 -2,-0.3 -27,-0.2 -29,-0.2 -29,-0.0 -0.978 6.6-166.4-120.0 124.5 11.1 -3.3 3.3 40 40 A Y E -a 12 0A 35 -29,-3.1 -27,-2.4 -2,-0.5 2,-0.5 -0.936 15.7-136.0-114.9 130.3 13.8 -5.8 2.3 41 41 A P E -a 13 0A 0 0, 0.0 14,-2.2 0, 0.0 2,-0.6 -0.725 17.8-163.2 -86.6 125.1 13.3 -9.6 2.4 42 42 A V E +ac 14 55A 4 -29,-2.8 -27,-3.0 -2,-0.5 -26,-0.8 -0.922 21.5 154.8-112.6 113.0 16.2 -11.5 3.9 43 43 A N - 0 0 21 12,-1.5 3,-0.4 -2,-0.6 -26,-0.1 -0.999 41.2-137.1-141.7 138.3 16.4 -15.2 3.2 44 44 A I S S+ 0 0 129 -2,-0.3 12,-0.1 1,-0.2 -1,-0.1 0.823 102.9 22.2 -68.6 -32.9 19.4 -17.5 3.2 45 45 A K S S+ 0 0 139 10,-0.1 2,-0.4 11,-0.0 -1,-0.2 0.252 103.1 98.2-119.5 15.5 18.6 -19.4 -0.0 46 46 A E - 0 0 40 -3,-0.4 -3,-0.3 1,-0.2 3,-0.1 -0.835 43.2-173.3-109.4 141.0 16.3 -17.0 -1.8 47 47 A E S S+ 0 0 131 -2,-0.4 7,-3.1 1,-0.4 2,-0.3 0.756 85.9 10.1 -91.9 -32.9 17.3 -14.6 -4.6 48 48 A E E -F 53 0B 82 5,-0.3 2,-0.4 -6,-0.0 -1,-0.4 -0.983 65.1-154.8-145.6 151.9 13.8 -13.1 -4.5 49 49 A V E > S-F 52 0B 0 3,-2.9 3,-2.3 -2,-0.3 -31,-0.1 -0.985 80.2 -17.8-134.2 122.4 10.8 -13.4 -2.2 50 50 A Q T 3 S- 0 0 34 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.860 131.4 -49.5 51.2 37.9 7.3 -12.8 -3.3 51 51 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 3,-0.0 -1,-0.3 0.413 115.6 115.0 85.3 -1.7 8.7 -10.9 -6.3 52 52 A V E < S-F 49 0B 49 -3,-2.3 -3,-2.9 1,-0.0 -1,-0.2 -0.865 75.4-103.8-108.8 136.7 11.1 -8.8 -4.3 53 53 A K E -F 48 0B 145 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.3 -0.287 45.0-157.2 -52.2 125.4 14.9 -8.9 -4.5 54 54 A A - 0 0 7 -7,-3.1 2,-0.4 -14,-0.1 -12,-0.2 -0.737 7.7-138.1-111.7 159.6 16.1 -10.6 -1.4 55 55 A Y B -c 42 0A 39 -14,-2.2 -12,-1.5 -2,-0.3 -9,-0.1 -0.913 13.3-137.7-118.6 143.9 19.4 -10.6 0.5 56 56 A K S S+ 0 0 124 -2,-0.4 2,-0.3 -14,-0.2 -1,-0.1 0.808 92.5 14.7 -65.0 -33.9 21.3 -13.5 2.0 57 57 A S S > S- 0 0 18 -14,-0.1 3,-1.7 1,-0.0 4,-0.4 -0.991 73.3-120.0-144.0 152.2 22.0 -11.5 5.1 58 58 A V T 3 S+ 0 0 0 -2,-0.3 3,-0.4 1,-0.3 7,-0.1 0.639 111.0 68.4 -63.5 -11.7 20.8 -8.2 6.7 59 59 A K T 3 S+ 0 0 107 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.749 90.2 60.1 -77.2 -24.1 24.4 -7.0 6.3 60 60 A D S < S+ 0 0 88 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.604 73.7 113.7 -83.5 -11.6 24.2 -6.9 2.5 61 61 A I - 0 0 1 -4,-0.4 4,-0.1 -3,-0.4 -49,-0.0 -0.487 56.5-154.8 -64.9 115.4 21.3 -4.4 2.4 62 62 A P S S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.882 73.0 66.4 -56.5 -44.8 22.8 -1.2 0.9 63 63 A D S S- 0 0 58 1,-0.1 2,-0.3 -3,-0.1 -53,-0.1 -0.157 99.2 -85.6 -75.6 173.3 20.2 1.1 2.6 64 64 A E - 0 0 146 -55,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.631 36.6-154.9 -83.7 138.6 19.9 1.8 6.3 65 65 A I + 0 0 6 22,-0.4 -54,-0.2 -2,-0.3 25,-0.1 -0.952 24.8 163.5-113.5 125.9 17.9 -0.6 8.5 66 66 A D S S+ 0 0 10 -56,-1.7 25,-2.2 -2,-0.5 2,-0.3 0.451 70.8 41.8-113.9 -6.2 16.4 0.6 11.8 67 67 A L E +bd 11 91A 0 -57,-1.8 -55,-2.8 23,-0.2 2,-0.4 -0.979 60.1 179.0-143.6 135.1 13.9 -2.2 12.2 68 68 A A E -bd 12 92A 0 23,-1.9 25,-2.5 -2,-0.3 2,-0.6 -0.983 16.8-150.3-133.3 143.9 14.2 -6.0 11.7 69 69 A I E -bd 13 93A 0 -57,-3.1 -55,-2.5 -2,-0.4 2,-0.8 -0.962 12.9-152.9-113.3 119.6 11.7 -8.8 12.2 70 70 A I E +bd 14 94A 0 23,-3.3 25,-2.4 -2,-0.6 26,-1.3 -0.843 31.1 153.1 -98.3 112.1 13.3 -12.1 13.1 71 71 A V + 0 0 16 -57,-2.8 -47,-0.3 -2,-0.8 -1,-0.1 -0.286 33.6 115.7-132.4 42.4 11.1 -14.9 12.0 72 72 A V S S- 0 0 18 1,-0.2 5,-0.1 -49,-0.1 24,-0.1 -0.640 75.7 -69.9-103.6 168.5 13.6 -17.7 11.4 73 73 A P >> - 0 0 63 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.183 52.7-105.0 -54.9 149.5 14.0 -21.0 13.3 74 74 A K H >> S+ 0 0 74 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.866 114.3 61.4 -47.1 -48.6 15.2 -20.9 16.9 75 75 A R H 34 S+ 0 0 180 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.723 107.2 46.9 -64.5 -11.2 18.7 -22.1 16.3 76 76 A F H <> S+ 0 0 80 -3,-2.0 4,-2.2 1,-0.1 -1,-0.3 0.637 84.9 88.9-100.8 -11.8 19.4 -19.0 14.0 77 77 A V H S+ 0 0 93 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.804 115.2 53.5 -61.2 -32.7 23.4 -15.1 15.0 80 80 A T H X S+ 0 0 12 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.910 108.2 51.1 -69.3 -39.6 20.7 -13.2 13.2 81 81 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.926 110.0 49.1 -61.7 -44.5 20.4 -10.8 16.2 82 82 A I H X S+ 0 0 48 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.904 108.7 53.3 -62.3 -42.0 24.2 -10.3 16.2 83 83 A Q H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.959 107.6 50.4 -58.4 -47.7 24.1 -9.5 12.4 84 84 A C H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-1.2 0.918 108.6 56.0 -55.2 -40.0 21.4 -6.9 13.1 85 85 A G H ><5S+ 0 0 7 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.929 108.8 42.7 -57.2 -50.0 23.7 -5.6 15.7 86 86 A E H 3<5S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 110.8 58.4 -65.7 -32.9 26.6 -5.1 13.4 87 87 A K H 3<5S- 0 0 44 -4,-2.5 -22,-0.4 -5,-0.2 -1,-0.2 0.696 116.0-114.9 -71.3 -22.6 24.2 -3.7 10.7 88 88 A G T <<5 + 0 0 46 -4,-1.2 -3,-0.2 -3,-0.7 2,-0.2 0.758 49.6 172.9 95.2 24.9 23.1 -0.9 13.2 89 89 A V < - 0 0 3 -5,-2.4 -23,-0.2 -6,-0.2 -1,-0.2 -0.452 20.4-159.6 -68.9 137.4 19.5 -2.0 13.6 90 90 A K + 0 0 101 1,-0.2 33,-2.2 -2,-0.2 2,-0.4 0.927 69.9 21.1 -84.0 -50.2 17.7 0.0 16.3 91 91 A G E -de 67 123A 0 -25,-2.2 -23,-1.9 31,-0.2 2,-0.4 -0.930 61.9-163.0-126.0 146.4 14.8 -2.3 17.1 92 92 A V E -de 68 124A 0 31,-3.0 33,-3.1 -2,-0.4 2,-0.6 -0.986 7.2-160.6-131.0 130.9 14.1 -6.0 16.7 93 93 A V E -de 69 125A 0 -25,-2.5 -23,-3.3 -2,-0.4 2,-0.8 -0.945 12.6-160.2-106.2 118.9 10.8 -7.9 16.8 94 94 A I E +d 70 0A 0 31,-2.4 35,-0.7 -2,-0.6 -23,-0.2 -0.888 16.4 173.6-103.6 105.1 11.5 -11.6 17.4 95 95 A I + 0 0 6 -25,-2.4 34,-0.4 -2,-0.8 -24,-0.2 0.871 47.8 104.5 -77.1 -38.1 8.5 -13.6 16.3 96 96 A T - 0 0 17 -26,-1.3 32,-2.2 32,-0.2 2,-0.1 -0.067 56.7-153.7 -50.6 137.8 10.2 -16.9 16.8 97 97 A A + 0 0 40 30,-0.2 -23,-0.1 31,-0.1 -1,-0.1 -0.361 56.0 93.6-100.8-179.9 9.3 -19.0 19.9 98 98 A G S S+ 0 0 21 -2,-0.1 -1,-0.1 -25,-0.0 -2,-0.1 0.625 71.1 95.7 107.1 17.2 11.3 -21.6 21.8 99 99 A F S > S- 0 0 2 -3,-0.1 3,-2.5 10,-0.1 4,-0.4 0.266 89.3 -11.7-110.2-125.9 12.7 -19.3 24.5 100 100 A G T 3 S+ 0 0 11 6,-0.5 3,-0.2 1,-0.3 7,-0.2 0.584 123.2 65.5 -64.8 -2.9 11.8 -18.3 28.0 101 101 A E T 3 S+ 0 0 60 1,-0.2 -1,-0.3 5,-0.1 3,-0.1 0.682 96.7 56.6 -89.7 -13.5 8.3 -19.9 27.8 102 102 A T S < S- 0 0 55 -3,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.528 116.9 -80.8 -94.0 -7.4 9.8 -23.4 27.5 103 103 A G > - 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0 0 2 73,-0.2 4,-1.1 1,-0.1 -1,-0.2 -0.964 66.8-153.2-144.8 121.6 -37.3 2.8 22.6 286 303 A G H >> S+ 0 0 29 -2,-0.3 4,-2.2 2,-0.2 3,-1.0 0.955 92.3 56.6 -57.6 -55.8 -38.2 2.6 26.3 287 304 A G H >> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 3,-0.5 0.909 106.6 47.1 -41.6 -65.2 -36.7 -0.9 26.9 288 305 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.777 112.4 54.4 -50.5 -30.7 -33.1 -0.1 25.7 289 306 A G H <>S+ 0 0 6 -4,-1.9 5,-2.3 -3,-0.2 3,-0.6 0.884 109.8 55.2 -71.6 -39.8 -25.1 3.3 34.2 297 314 A D H ><5S+ 0 0 73 -4,-2.5 3,-2.7 1,-0.3 -2,-0.2 0.964 106.6 46.4 -59.7 -58.1 -26.5 3.2 37.7 298 315 A K T 3<5S+ 0 0 136 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.632 109.8 59.6 -60.1 -10.7 -24.5 0.2 38.9 299 316 A R T < 5S- 0 0 49 -3,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.514 120.9-111.1 -94.7 -4.8 -21.6 2.0 37.3 300 317 A G T < 5S+ 0 0 43 -3,-2.7 -3,-0.2 1,-0.3 2,-0.2 0.392 73.3 133.8 92.9 -1.8 -22.0 4.9 39.5 301 318 A L < - 0 0 7 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.3 -0.510 42.4-146.1 -78.9 152.7 -23.2 7.4 36.9 302 319 A K E -n 278 0E 107 -25,-1.9 -23,-2.7 -2,-0.2 2,-0.3 -0.907 13.6-113.1-123.1 150.2 -26.3 9.5 37.7 303 320 A L E -n 279 0E 57 -2,-0.3 -23,-0.2 -25,-0.2 -25,-0.1 -0.626 35.2-124.0 -80.6 132.7 -29.1 10.9 35.6 304 321 A A - 0 0 2 -25,-2.3 2,-0.6 -2,-0.3 -23,-0.1 -0.247 14.3-123.5 -72.4 161.3 -29.2 14.7 35.2 305 322 A T - 0 0 99 46,-0.2 46,-0.1 -25,-0.0 -1,-0.1 -0.953 30.6-140.0-108.5 119.1 -32.2 16.8 36.1 306 323 A L - 0 0 12 -2,-0.6 2,-0.2 1,-0.1 20,-0.1 -0.287 15.9-107.0 -76.9 162.1 -33.4 18.9 33.2 307 324 A E > - 0 0 62 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.570 24.7-121.5 -84.4 152.2 -34.6 22.5 33.2 308 325 A E H > S+ 0 0 96 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.913 112.6 59.7 -58.6 -42.7 -38.3 23.2 32.8 309 326 A K H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 110.2 41.5 -50.6 -46.3 -37.5 25.3 29.7 310 327 A T H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 115.0 50.5 -69.0 -43.7 -35.9 22.3 28.0 311 328 A I H X S+ 0 0 28 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.889 109.0 53.8 -58.6 -40.6 -38.6 20.0 29.2 312 329 A E H X S+ 0 0 113 -4,-3.6 4,-0.8 1,-0.2 -1,-0.2 0.907 108.1 46.8 -63.6 -45.0 -41.3 22.3 27.9 313 330 A E H >X S+ 0 0 98 -4,-1.7 4,-1.2 -5,-0.2 3,-0.6 0.869 109.8 54.8 -66.7 -35.4 -39.9 22.6 24.4 314 331 A L H 3X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.5 0.942 106.1 52.7 -59.9 -46.0 -39.5 18.8 24.3 315 332 A R H 3< S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.689 102.8 61.7 -62.4 -20.9 -43.2 18.5 25.1 316 333 A S H << S+ 0 0 86 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.885 116.7 22.1 -78.4 -38.1 -44.0 20.8 22.2 317 334 A F H < S+ 0 0 36 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.1 0.572 107.2 83.9-107.6 -9.8 -42.8 18.8 19.3 318 335 A L S < S- 0 0 14 -4,-1.9 4,-0.1 -5,-0.2 12,-0.1 -0.552 88.4 -87.4 -91.7 159.0 -42.7 15.2 20.7 319 336 A P > - 0 0 45 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 -0.037 40.1-106.1 -57.9 168.1 -45.7 12.8 20.9 320 337 A P T 3 S+ 0 0 128 0, 0.0 -2,-0.1 0, 0.0 -5,-0.0 0.835 117.5 49.6 -66.7 -40.0 -48.1 12.9 23.8 321 338 A X T 3 S+ 0 0 102 2,-0.1 2,-0.3 0, 0.0 8,-0.0 0.103 86.5 124.6 -91.0 24.7 -46.9 9.6 25.4 322 339 A A < - 0 0 18 -3,-1.0 2,-0.6 -4,-0.1 8,-0.2 -0.626 61.5-128.1 -85.3 140.9 -43.3 10.7 25.2 323 340 A A E +Q 329 0E 30 6,-1.2 6,-1.9 -2,-0.3 -2,-0.1 -0.788 29.7 171.2 -90.2 124.9 -41.1 10.8 28.4 324 341 A V E +Q 328 0E 21 -2,-0.6 4,-0.2 4,-0.2 -1,-0.1 0.121 47.8 95.2-119.3 18.1 -39.4 14.2 28.9 325 342 A K S S- 0 0 134 2,-0.6 -2,-0.0 -20,-0.1 -20,-0.0 0.174 103.7 -40.1 -83.7-149.2 -38.0 13.7 32.4 326 343 A N S S+ 0 0 58 1,-0.1 -45,-0.8 -23,-0.1 2,-0.5 0.891 138.7 42.1 -43.5 -55.7 -34.5 12.5 33.3 327 344 A P E S-p 281 0E 30 0, 0.0 2,-0.9 0, 0.0 -2,-0.6 -0.882 87.1-142.6 -93.3 124.1 -34.6 10.0 30.4 328 345 A V E -pQ 282 324E 0 -47,-3.5 -45,-2.5 -2,-0.5 2,-1.0 -0.748 15.8-169.7 -91.9 107.5 -36.1 11.4 27.2 329 346 A D E -pQ 283 323E 37 -6,-1.9 -6,-1.2 -2,-0.9 -45,-0.2 -0.669 1.6-171.4-103.5 83.1 -38.1 8.8 25.4 330 347 A X - 0 0 0 -47,-1.3 -12,-0.0 -2,-1.0 -44,-0.0 -0.390 37.4-102.0 -55.0 147.1 -39.1 10.0 22.0 331 348 A I > - 0 0 49 1,-0.1 3,-2.5 -46,-0.1 -1,-0.1 -0.136 32.7 -92.6 -73.3 174.5 -41.6 7.5 20.6 332 349 A A T 3 S+ 0 0 45 1,-0.3 -1,-0.1 -3,-0.1 -48,-0.1 0.615 124.4 66.4 -60.1 -13.6 -40.9 4.8 18.0 333 350 A S T 3 S+ 0 0 58 2,-0.0 -1,-0.3 29,-0.0 -2,-0.1 0.471 70.6 138.8 -87.9 -3.4 -41.9 7.4 15.4 334 351 A A < - 0 0 2 -3,-2.5 2,-0.2 -50,-0.1 38,-0.1 -0.176 36.2-161.9 -48.7 122.5 -38.9 9.6 16.2 335 352 A R >> - 0 0 99 36,-0.1 4,-2.2 1,-0.1 3,-0.7 -0.513 37.1 -92.3-101.8 169.6 -37.5 11.0 12.9 336 353 A G H 3> S+ 0 0 6 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.917 127.8 54.8 -45.2 -48.0 -34.1 12.5 12.2 337 354 A E H 3> S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.879 106.7 51.4 -55.6 -38.7 -35.5 15.9 12.9 338 355 A D H <> S+ 0 0 30 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.905 110.4 47.7 -65.4 -42.6 -36.7 14.7 16.3 339 356 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.919 111.7 51.1 -63.2 -44.3 -33.2 13.3 17.1 340 357 A Y H X S+ 0 0 20 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.974 113.9 42.7 -55.9 -56.1 -31.6 16.6 16.0 341 358 A R H X S+ 0 0 100 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.934 115.5 47.3 -59.3 -49.4 -33.8 18.8 18.1 342 359 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.898 112.6 49.2 -61.0 -42.0 -33.7 16.6 21.3 343 360 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.919 112.4 48.5 -63.7 -43.9 -29.9 16.2 21.2 344 361 A K H X S+ 0 0 60 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.951 113.6 47.1 -59.3 -51.8 -29.4 19.9 20.7 345 362 A L H X S+ 0 0 7 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.886 114.8 45.5 -58.4 -44.3 -31.8 20.7 23.6 346 363 A L H < S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 6,-0.2 0.911 112.0 50.8 -68.3 -42.0 -30.2 18.1 25.9 347 364 A L H < S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.688 111.3 50.6 -68.2 -18.1 -26.6 19.2 25.0 348 365 A Q H < S+ 0 0 102 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.677 83.0 103.7 -92.4 -20.2 -27.7 22.8 25.8 349 366 A D S >< S- 0 0 0 -4,-1.0 3,-1.7 -3,-0.4 -43,-0.0 -0.472 72.6-138.4 -64.8 126.3 -29.2 22.1 29.2 350 367 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -44,-0.1 0.602 98.9 59.0 -62.5 -12.4 -26.7 23.3 31.8 351 368 A N T 3 S+ 0 0 74 -5,-0.1 2,-0.5 -46,-0.1 -46,-0.2 0.453 84.0 92.6 -97.9 -1.4 -27.3 20.2 33.9 352 369 A V < + 0 0 0 -3,-1.7 -73,-0.2 -6,-0.2 3,-0.1 -0.831 39.6 169.3 -96.3 124.8 -26.2 17.7 31.2 353 370 A D S S+ 0 0 20 -75,-3.1 2,-0.3 -2,-0.5 -78,-0.3 0.655 72.1 18.6-102.9 -24.3 -22.6 16.6 31.3 354 371 A X E -o 279 0E 2 -76,-1.2 -74,-3.0 33,-0.1 2,-0.5 -0.996 65.9-146.0-148.6 146.2 -22.9 13.7 28.9 355 372 A L E -or 280 389E 0 33,-2.0 35,-3.1 -2,-0.3 2,-0.6 -0.967 7.0-166.1-120.7 123.3 -25.4 12.7 26.2 356 373 A I E -or 281 390E 0 -76,-3.0 -74,-2.5 -2,-0.5 2,-0.7 -0.923 8.9-158.5-106.5 112.3 -26.3 9.0 25.4 357 374 A A E -or 282 391E 0 33,-3.6 35,-3.5 -2,-0.6 2,-0.5 -0.809 9.5-173.1 -95.6 116.6 -28.2 8.6 22.1 358 375 A I E +or 283 392E 0 -76,-3.1 -74,-0.9 -2,-0.7 2,-0.4 -0.910 8.1 171.5-110.3 126.9 -30.1 5.3 21.9 359 376 A C E - r 0 393E 1 33,-2.3 35,-3.1 -2,-0.5 2,-0.7 -0.914 27.9-159.6-142.7 113.5 -31.8 4.3 18.7 360 377 A V E - r 0 394E 11 -2,-0.4 35,-0.2 33,-0.2 33,-0.1 -0.819 42.3-120.6 -74.9 120.3 -33.5 1.2 17.6 361 378 A V - 0 0 0 33,-3.9 2,-0.2 -2,-0.7 8,-0.1 -0.558 26.4-141.1 -73.7 117.1 -33.3 1.7 13.8 362 379 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 -0.486 17.8-168.6 -78.4 144.3 -36.8 1.7 12.4 363 380 A T + 0 0 57 -2,-0.2 2,-0.2 3,-0.0 3,-0.1 0.064 67.3 67.9-115.6 19.8 -37.6 0.1 9.0 364 381 A F S > S+ 0 0 55 1,-0.1 3,-1.3 4,-0.1 94,-0.1 -0.778 70.6 50.1-130.3 178.6 -41.1 1.6 8.7 365 382 A A T 3 S- 0 0 29 1,-0.2 93,-0.1 -2,-0.2 -1,-0.1 0.672 117.3 -80.1 65.6 15.5 -42.9 5.0 8.3 366 383 A G T 3 S+ 0 0 59 91,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.739 87.7 148.2 65.8 23.2 -40.6 5.6 5.3 367 384 A X < - 0 0 17 -3,-1.3 -1,-0.2 1,-0.1 2,-0.1 -0.524 45.2-117.6 -84.9 158.3 -37.7 6.7 7.5 368 385 A T - 0 0 65 -2,-0.2 4,-0.3 1,-0.1 -4,-0.1 -0.390 19.4-113.2 -90.0 173.6 -34.1 6.0 6.4 369 386 A L S S+ 0 0 55 1,-0.2 33,-0.3 -2,-0.1 4,-0.1 0.578 112.3 32.9 -82.9 -8.7 -31.5 3.9 8.1 370 387 A T S > S+ 0 0 26 2,-0.1 4,-3.1 31,-0.1 5,-0.2 0.437 85.0 96.5-127.0 -2.4 -29.3 6.8 8.9 371 388 A E H > S+ 0 0 28 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.901 86.2 51.7 -60.7 -40.1 -31.5 9.9 9.5 372 389 A H H > S+ 0 0 0 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.937 113.1 45.5 -62.3 -44.8 -31.5 9.5 13.3 373 390 A A H >> S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 3,-0.7 0.964 111.7 51.9 -61.0 -50.4 -27.7 9.3 13.3 374 391 A E H 3X S+ 0 0 91 -4,-3.1 4,-3.4 1,-0.3 5,-0.3 0.937 107.9 53.6 -50.6 -47.0 -27.5 12.3 10.9 375 392 A G H 3X S+ 0 0 5 -4,-3.3 4,-1.4 1,-0.2 -1,-0.3 0.839 109.9 47.0 -57.0 -34.6 -29.8 14.1 13.4 376 393 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 3,-1.3 0.951 110.4 48.0 -67.3 -50.7 -26.8 18.6 16.6 380 397 A V H 3X S+ 0 0 37 -4,-2.5 4,-1.7 1,-0.3 5,-0.2 0.923 110.9 53.2 -55.8 -44.4 -23.3 17.9 18.1 381 398 A K H 3< S+ 0 0 160 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.681 112.7 46.7 -63.5 -18.8 -21.8 19.9 15.2 382 399 A E H << S+ 0 0 86 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.940 112.1 40.4 -91.2 -63.1 -24.1 22.8 16.0 383 400 A V H < S- 0 0 36 -4,-2.0 -2,-0.1 1,-0.1 -3,-0.1 0.894 85.2-168.4 -52.1 -41.6 -24.0 23.4 19.7 384 401 A N < + 0 0 119 -4,-1.7 2,-0.1 -5,-0.4 -3,-0.1 0.877 30.7 138.9 52.8 41.8 -20.3 22.7 19.5 385 402 A N - 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