==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-FEB-09 3GG7 . COMPND 2 MOLECULE: UNCHARACTERIZED METALLOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR J.B.BONANNO,M.DICKEY,K.T.BAIN,B.K.TANG,R.ROMERO,S.WASSERMAN, . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 1 0 0 2 2 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 70 0, 0.0 2,-0.2 0, 0.0 233,-0.1 0.000 360.0 360.0 360.0 166.6 11.4 7.6 -0.6 2 1 A L - 0 0 29 23,-0.3 26,-1.7 24,-0.1 2,-0.4 -0.611 360.0-154.4-109.7 159.5 12.5 8.1 3.0 3 2 A I E -a 28 0A 5 -2,-0.2 2,-0.6 24,-0.2 26,-0.2 -0.998 6.3-171.4-131.7 128.8 13.1 6.0 6.0 4 3 A D E -a 29 0A 0 24,-3.1 26,-2.3 -2,-0.4 189,-0.3 -0.898 10.9-175.3-118.2 97.5 12.9 7.0 9.7 5 4 A F E + 0 0 0 187,-3.0 188,-0.2 -2,-0.6 2,-0.1 0.130 69.1 34.8 -93.9 27.1 14.2 4.0 11.5 6 5 A H E S+ 0 0 0 186,-0.1 189,-2.4 26,-0.0 188,-0.8 -0.496 72.3 138.8-172.1 101.6 13.7 5.2 15.1 7 6 A V E -a 31 0A 0 23,-2.3 25,-2.1 188,-0.2 2,-1.2 -0.998 47.1-132.5-148.3 143.4 10.7 7.3 16.1 8 7 A H > + 0 0 0 188,-3.0 3,-1.9 -2,-0.3 4,-0.3 -0.632 31.4 166.8 -96.1 75.2 8.3 7.5 19.0 9 8 A L G > S+ 0 0 0 -2,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.873 75.1 60.4 -54.8 -34.3 4.9 7.7 17.2 10 9 A D G 3 S+ 0 0 36 22,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.465 96.5 60.3 -78.4 -0.3 3.2 7.0 20.4 11 10 A L G < S+ 0 0 72 -3,-1.9 -1,-0.3 185,-0.1 -2,-0.2 0.400 81.8 99.7-107.2 0.8 4.6 10.0 22.2 12 11 A Y S < S- 0 0 18 -3,-1.4 4,-0.1 -4,-0.3 -3,-0.0 -0.498 84.7-116.6 -78.2 154.8 3.1 12.7 19.8 13 12 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.881 113.1 24.9 -59.8 -31.9 -0.1 14.5 20.9 14 13 A D S > S+ 0 0 94 1,-0.1 4,-1.5 -5,-0.0 3,-0.4 -0.747 71.7 174.7-130.8 80.2 -1.9 12.9 17.9 15 14 A P H > S+ 0 0 31 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.845 78.7 55.8 -58.4 -37.3 -0.1 9.6 17.0 16 15 A V H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.903 104.9 52.9 -62.7 -40.6 -2.7 8.6 14.4 17 16 A A H > S+ 0 0 36 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.899 111.2 46.6 -60.3 -39.8 -2.3 11.9 12.5 18 17 A V H X S+ 0 0 13 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.937 112.6 49.5 -69.6 -45.4 1.5 11.4 12.4 19 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 111.6 49.1 -57.6 -45.9 1.1 7.7 11.2 20 19 A R H X S+ 0 0 123 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.899 108.7 53.4 -58.1 -43.8 -1.4 8.8 8.5 21 20 A A H X S+ 0 0 11 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.845 107.3 51.9 -62.9 -35.1 1.0 11.5 7.4 22 21 A C H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 4,-0.5 0.930 109.7 49.1 -66.1 -44.5 3.7 8.8 7.0 23 22 A E H ><5S+ 0 0 35 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.905 106.9 55.0 -60.6 -41.2 1.5 6.6 4.9 24 23 A E H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.881 115.3 40.0 -58.5 -35.8 0.6 9.6 2.7 25 24 A R T 3<5S- 0 0 122 -4,-1.3 -23,-0.3 -5,-0.2 -1,-0.3 0.441 107.8-126.0 -89.4 -1.5 4.3 10.1 2.1 26 25 A Q T < 5 + 0 0 118 -3,-1.1 2,-0.6 -4,-0.5 -3,-0.2 0.910 53.8 162.6 46.4 48.7 5.0 6.3 1.9 27 26 A L < - 0 0 2 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.862 34.6-137.1-100.9 115.3 7.6 7.0 4.6 28 27 A T E -a 3 0A 7 -26,-1.7 -24,-3.1 -2,-0.6 2,-0.4 -0.622 26.0-173.6 -76.1 128.0 8.7 3.9 6.4 29 28 A V E -ab 4 52A 0 22,-2.8 24,-2.8 -2,-0.4 2,-0.9 -0.965 28.7-141.5-126.7 139.2 9.0 4.3 10.1 30 29 A L E - b 0 53A 2 -26,-2.3 -23,-2.3 -2,-0.4 2,-0.9 -0.879 25.5-155.7 -93.5 104.2 10.3 2.1 13.0 31 30 A S E -ab 7 54A 0 22,-2.2 24,-2.9 -2,-0.9 -23,-0.2 -0.714 15.8-162.1 -86.0 100.2 7.7 3.0 15.6 32 31 A V - 0 0 0 -25,-2.1 -22,-0.4 -2,-0.9 53,-0.3 -0.527 5.4-143.9 -90.6 155.7 9.5 2.2 18.9 33 32 A T - 0 0 0 51,-2.0 25,-0.3 22,-0.2 -1,-0.0 -0.774 10.2-150.9-116.6 161.1 8.0 1.7 22.3 34 33 A T S S+ 0 0 26 1,-0.3 25,-2.4 -2,-0.3 28,-0.2 0.602 85.7 21.3-108.4 -15.5 9.2 2.6 25.8 35 34 A T S > S- 0 0 16 23,-0.2 3,-1.9 1,-0.0 -1,-0.3 -0.977 73.9-126.4-145.8 144.9 7.6 -0.2 27.8 36 35 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.754 107.9 70.9 -64.4 -21.8 6.4 -3.6 26.6 37 36 A A G 3 S+ 0 0 41 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.711 89.5 62.9 -61.5 -22.1 3.1 -2.8 28.2 38 37 A A G <> S+ 0 0 24 -3,-1.9 4,-2.6 1,-0.2 5,-0.3 0.511 76.0 99.6 -78.5 -4.6 2.6 -0.2 25.4 39 38 A W H <> S+ 0 0 1 -3,-1.6 4,-3.1 1,-0.2 5,-0.3 0.890 79.6 44.2 -55.3 -52.7 2.7 -2.9 22.7 40 39 A R H > S+ 0 0 120 -3,-0.4 4,-1.5 -4,-0.2 -1,-0.2 0.945 117.8 44.3 -64.1 -44.7 -1.0 -3.3 22.0 41 40 A G H 4 S+ 0 0 54 -4,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.897 119.0 41.3 -66.6 -42.5 -1.8 0.4 21.9 42 41 A T H >< S+ 0 0 7 -4,-2.6 3,-1.5 1,-0.2 4,-0.4 0.926 110.5 56.5 -75.6 -39.6 1.2 1.4 19.8 43 42 A L H >< S+ 0 0 55 -4,-3.1 3,-1.9 -5,-0.3 4,-0.3 0.843 96.2 68.2 -55.0 -35.9 0.9 -1.6 17.4 44 43 A A G >< S+ 0 0 63 -4,-1.5 3,-1.2 -5,-0.3 -1,-0.3 0.777 86.4 67.2 -58.1 -26.1 -2.7 -0.4 16.8 45 44 A L G < S+ 0 0 16 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.712 98.0 54.8 -63.3 -24.7 -1.3 2.6 15.0 46 45 A A G X S+ 0 0 18 -3,-1.9 3,-2.7 -4,-0.4 -1,-0.2 0.531 73.4 122.8 -87.3 -8.2 0.0 0.3 12.3 47 46 A A T < S- 0 0 76 -3,-1.2 -3,-0.0 -4,-0.3 -4,-0.0 -0.409 94.2 -0.7 -61.3 120.3 -3.3 -1.4 11.5 48 47 A G T 3 S+ 0 0 83 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.527 112.3 104.7 76.0 9.8 -3.8 -0.9 7.7 49 48 A R X - 0 0 52 -3,-2.7 3,-2.0 3,-0.1 -1,-0.1 -0.824 45.3-178.2-126.9 87.6 -0.6 1.1 7.6 50 49 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.614 80.5 61.1 -69.2 -12.3 2.2 -1.0 5.9 51 50 A H T 3 S+ 0 0 30 -32,-0.1 -22,-2.8 -23,-0.1 2,-0.7 0.490 85.9 85.8 -87.7 -3.3 4.8 1.7 6.4 52 51 A V E < -b 29 0A 7 -3,-2.0 2,-0.6 -6,-0.2 -22,-0.2 -0.874 58.7-176.2-102.9 109.4 4.5 1.6 10.2 53 52 A W E -b 30 0A 63 -24,-2.8 -22,-2.2 -2,-0.7 2,-0.3 -0.925 15.7-147.1-110.3 113.5 6.8 -1.1 11.6 54 53 A T E -b 31 0A 5 -2,-0.6 28,-0.5 -24,-0.2 2,-0.3 -0.640 8.6-158.4 -95.0 135.3 6.3 -1.4 15.3 55 54 A A - 0 0 0 -24,-2.9 2,-0.6 -2,-0.3 28,-0.3 -0.835 16.0-129.9-112.7 145.6 9.2 -2.4 17.7 56 55 A L B +c 83 0B 0 26,-2.1 28,-1.1 -2,-0.3 2,-0.2 -0.870 43.6 164.8-100.3 118.6 8.8 -3.9 21.3 57 56 A G - 0 0 0 -2,-0.6 29,-0.2 -22,-0.2 -23,-0.2 -0.645 42.1-158.1-132.1 176.5 10.9 -2.0 23.8 58 57 A F - 0 0 2 27,-2.3 29,-0.5 -25,-0.3 -23,-0.2 -0.674 30.6-143.1-159.7 98.7 11.8 -1.1 27.3 59 58 A H >> - 0 0 11 -25,-2.4 3,-2.2 -2,-0.2 4,-0.5 -0.458 13.5-129.2 -74.1 136.9 13.6 2.2 27.5 60 59 A P G >4 S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.804 104.9 64.0 -57.9 -27.1 16.4 2.5 30.1 61 60 A E G 34 S+ 0 0 104 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.668 109.3 38.4 -71.0 -15.0 14.9 5.7 31.5 62 61 A V G <> S+ 0 0 26 -3,-2.2 4,-2.6 -28,-0.2 -1,-0.2 0.338 79.9 105.4-118.6 8.7 11.7 3.9 32.7 63 62 A V T << S+ 0 0 2 -3,-0.8 7,-0.1 -4,-0.5 -2,-0.1 0.779 86.9 42.3 -62.2 -29.5 13.0 0.6 33.9 64 63 A S T >4 S+ 0 0 76 -4,-0.3 3,-1.5 2,-0.2 4,-0.2 0.938 118.0 42.5 -78.8 -53.9 12.5 1.5 37.6 65 64 A E T 34 S+ 0 0 141 1,-0.3 3,-0.2 -4,-0.2 -2,-0.2 0.825 126.9 33.4 -68.1 -28.6 9.2 3.2 37.4 66 65 A R T >< S+ 0 0 114 -4,-2.6 3,-2.7 1,-0.1 4,-0.3 0.047 78.7 130.7-109.9 23.6 7.7 0.6 35.0 67 66 A A G X + 0 0 41 -3,-1.5 3,-1.8 1,-0.3 -1,-0.1 0.826 66.6 60.1 -46.8 -42.5 9.6 -2.4 36.5 68 67 A A G 3 S+ 0 0 80 1,-0.3 -1,-0.3 -4,-0.2 4,-0.1 0.588 89.6 71.2 -68.1 -11.2 6.5 -4.5 36.8 69 68 A D G X + 0 0 17 -3,-2.7 3,-2.0 1,-0.2 4,-0.5 0.609 69.0 99.8 -78.5 -9.7 5.8 -4.4 33.0 70 69 A L T X> S+ 0 0 36 -3,-1.8 3,-2.2 -4,-0.3 4,-0.6 0.840 70.8 61.2 -49.3 -43.6 8.8 -6.7 32.3 71 70 A P H 3> S+ 0 0 87 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.749 92.7 66.6 -60.4 -20.6 6.8 -9.9 31.8 72 71 A W H <> S+ 0 0 104 -3,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.722 89.4 68.9 -69.7 -19.0 4.9 -8.3 28.9 73 72 A F H <> S+ 0 0 0 -3,-2.2 4,-1.5 -4,-0.5 3,-0.3 0.983 104.6 37.5 -62.8 -58.8 8.2 -8.3 26.9 74 73 A D H < S+ 0 0 68 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.1 61.0 -61.1 -34.6 8.5 -12.1 26.6 75 74 A R H < S+ 0 0 173 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.2 30.9 -54.6 -46.8 4.7 -12.2 26.1 76 75 A Y H >< S+ 0 0 19 -4,-1.8 3,-2.4 -3,-0.3 -1,-0.2 0.588 88.9 98.0 -97.5 -8.8 4.7 -10.1 23.0 77 76 A L G >< S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.3 -1,-0.2 0.814 77.5 61.8 -51.9 -36.3 8.1 -11.0 21.5 78 77 A P G 3 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.708 95.3 65.0 -64.4 -15.6 6.6 -13.5 19.0 79 78 A E G < S+ 0 0 85 -3,-2.4 2,-0.3 1,-0.1 -2,-0.2 0.431 103.6 38.9 -87.2 -0.4 4.6 -10.7 17.4 80 79 A T < - 0 0 16 -3,-1.5 -25,-0.1 -4,-0.2 -1,-0.1 -1.000 51.3-152.2-151.6 150.5 7.5 -8.7 16.0 81 80 A R S S+ 0 0 158 -2,-0.3 38,-2.5 -27,-0.2 2,-0.4 0.455 83.9 76.5 -91.9 -4.3 10.9 -8.8 14.3 82 81 A F E - d 0 119B 12 -28,-0.5 -26,-2.1 36,-0.2 2,-0.4 -0.927 56.7-170.6-120.3 131.4 11.9 -5.5 15.9 83 82 A V E +cd 56 120B 0 36,-3.0 38,-2.8 -2,-0.4 3,-0.2 -0.976 26.7 177.7-118.8 125.5 13.0 -4.7 19.4 84 83 A G E + 0 0 0 -28,-1.1 -51,-2.0 -2,-0.4 38,-0.1 -0.766 41.2 26.4 164.7 156.3 13.4 -1.1 20.6 85 84 A E E S+ 0 0 0 36,-0.5 -27,-2.3 -53,-0.3 -1,-0.3 0.389 81.5 132.7 -85.4 133.8 13.9 1.2 22.3 86 85 A V E + d 0 122B 0 35,-1.6 37,-3.1 -3,-0.2 2,-0.3 -0.895 22.8 77.4-135.4 161.3 16.2 -0.8 24.6 87 86 A G E - d 0 123B 4 -29,-0.5 2,-0.3 -2,-0.3 37,-0.2 -0.978 66.7 -56.2 143.9-149.1 19.6 -0.3 26.0 88 87 A L - 0 0 0 35,-2.0 2,-0.4 -2,-0.3 39,-0.2 -0.960 27.8-158.4-137.8 149.5 21.6 1.5 28.7 89 88 A D - 0 0 9 -2,-0.3 37,-0.2 35,-0.1 36,-0.1 -0.988 3.8-165.3-135.3 122.1 22.0 5.1 29.8 90 89 A G + 0 0 12 35,-2.7 36,-0.2 -2,-0.4 5,-0.1 0.150 40.2 137.5 -90.9 17.5 25.0 6.3 31.8 91 90 A S > - 0 0 6 34,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.391 60.7-126.1 -68.3 138.7 23.6 9.7 32.8 92 91 A P G > S+ 0 0 80 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.857 107.7 61.1 -53.4 -36.5 24.3 10.6 36.4 93 92 A S G 3 S+ 0 0 111 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.730 110.7 40.5 -66.8 -19.5 20.6 11.3 37.1 94 93 A L G X S+ 0 0 26 -3,-1.7 3,-1.9 1,-0.1 -1,-0.3 0.329 84.4 104.9-102.8 4.9 19.8 7.6 36.2 95 94 A R G X S+ 0 0 151 -3,-1.5 3,-1.5 -4,-0.4 4,-0.3 0.788 71.1 61.3 -66.0 -30.6 22.8 6.1 38.0 96 95 A G G 3 S+ 0 0 86 -4,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.685 104.3 52.1 -66.4 -18.3 20.8 4.8 40.9 97 96 A T G <> S+ 0 0 34 -3,-1.9 4,-2.8 1,-0.1 -1,-0.3 0.341 77.5 108.0 -95.2 6.4 18.9 2.7 38.4 98 97 A W H <> S+ 0 0 72 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.887 75.6 50.3 -56.1 -49.6 22.0 1.2 36.8 99 98 A T H > S+ 0 0 121 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.914 114.6 46.0 -54.1 -43.4 21.6 -2.4 38.3 100 99 A Q H > S+ 0 0 65 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 110.8 52.3 -68.7 -41.0 18.0 -2.5 37.1 101 100 A Q H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.946 112.5 45.6 -57.7 -46.6 18.9 -1.1 33.7 102 101 A F H X S+ 0 0 83 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.947 112.0 51.3 -64.4 -45.9 21.6 -3.8 33.3 103 102 A A H X S+ 0 0 43 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.922 113.1 45.1 -55.6 -48.3 19.3 -6.6 34.5 104 103 A V H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.917 113.9 47.5 -64.5 -47.6 16.5 -5.6 32.1 105 104 A F H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.922 112.7 49.0 -62.7 -41.6 18.8 -5.2 29.0 106 105 A Q H X S+ 0 0 63 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.935 111.8 50.1 -62.9 -42.6 20.5 -8.5 29.7 107 106 A H H X S+ 0 0 52 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.928 110.7 50.2 -57.0 -46.6 17.0 -10.1 30.1 108 107 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.928 110.5 48.1 -62.1 -46.5 16.0 -8.6 26.8 109 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.921 112.3 49.6 -63.2 -41.0 19.0 -9.8 24.9 110 109 A R H X S+ 0 0 104 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.917 111.3 48.1 -64.3 -42.3 18.6 -13.3 26.3 111 110 A R H X S+ 0 0 57 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.895 109.4 54.2 -66.8 -37.0 14.9 -13.4 25.3 112 111 A C H <>S+ 0 0 0 -4,-2.5 5,-3.0 -5,-0.2 3,-0.5 0.950 109.9 47.3 -59.8 -45.8 15.8 -12.2 21.8 113 112 A E H ><5S+ 0 0 66 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.934 109.3 53.9 -58.8 -44.2 18.3 -15.0 21.5 114 113 A D H 3<5S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 108.6 49.4 -63.4 -28.4 15.7 -17.5 22.8 115 114 A H T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.194 129.9 -91.8 -99.2 14.0 13.2 -16.4 20.1 116 115 A G T < 5S- 0 0 71 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.583 75.3 -61.8 91.6 14.3 15.8 -16.7 17.3 117 116 A G < - 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0 0 0 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.430 26.0-153.1 -73.5 148.1 26.7 -3.0 14.7 165 164 A W E -f 145 0B 9 -21,-2.8 -19,-2.9 -2,-0.1 2,-0.4 -0.610 13.9-137.2-102.7 174.8 24.6 -0.9 12.4 166 165 A F E -fg 146 190B 1 23,-2.5 25,-2.8 -21,-0.3 2,-0.5 -0.999 11.7-159.0-141.4 133.2 23.8 2.8 13.0 167 166 A S E -fg 147 191B 0 -21,-1.8 -19,-2.0 -2,-0.4 -18,-0.4 -0.970 23.2-162.3-111.6 126.6 20.8 5.0 12.7 168 167 A V E - g 0 192B 0 23,-2.7 25,-2.3 -2,-0.5 -163,-0.1 -0.853 5.1-164.6-117.6 143.5 21.8 8.6 12.4 169 168 A G > - 0 0 2 -2,-0.3 4,-1.4 23,-0.2 3,-0.2 -0.463 39.9 -76.9-119.3-174.0 19.7 11.7 12.9 170 169 A P H > S+ 0 0 9 0, 0.0 4,-0.7 0, 0.0 24,-0.1 0.823 122.6 51.5 -57.6 -37.6 19.6 15.4 12.3 171 170 A T H >4 S+ 0 0 46 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.909 107.0 54.3 -70.9 -38.1 22.0 16.4 15.1 172 171 A M H >4 S+ 0 0 5 1,-0.2 3,-0.7 -3,-0.2 10,-0.2 0.853 108.2 47.1 -64.0 -38.8 24.7 14.0 13.9 173 172 A V H 3< S+ 0 0 23 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.639 112.8 51.0 -79.2 -12.5 24.9 15.2 10.3 174 173 A R T << S+ 0 0 85 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.2 0.280 99.8 73.2-107.2 4.4 25.0 18.9 11.4 175 174 A T S <> S- 0 0 70 -3,-0.7 4,-2.6 -4,-0.3 5,-0.2 -0.887 76.4-127.1-121.5 154.2 27.9 18.7 14.0 176 175 A Q H > S+ 0 0 89 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.956 112.0 44.0 -60.0 -53.2 31.7 18.2 13.7 177 176 A K H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 115.4 49.7 -62.7 -38.4 31.9 15.2 16.0 178 177 A G H > S+ 0 0 5 2,-0.2 4,-2.8 -7,-0.2 -1,-0.2 0.922 110.4 48.7 -66.1 -44.8 28.8 13.6 14.4 179 178 A A H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.884 111.0 52.2 -63.4 -36.9 30.1 14.1 10.9 180 179 A A H X S+ 0 0 36 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.883 109.3 48.7 -66.2 -39.9 33.4 12.6 12.0 181 180 A L H >X S+ 0 0 9 -4,-2.0 3,-0.9 2,-0.2 4,-0.6 0.945 110.1 52.0 -62.9 -47.4 31.6 9.6 13.5 182 181 A I H >< S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.907 102.2 59.9 -57.0 -40.9 29.6 9.1 10.2 183 182 A R H 3< S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.795 104.0 51.2 -60.4 -27.3 32.8 9.1 8.2 184 183 A S H << S+ 0 0 60 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.612 92.3 95.5 -82.5 -10.9 34.1 6.1 10.1 185 184 A M S << S- 0 0 8 -3,-1.4 2,-0.2 -4,-0.6 5,-0.1 -0.603 84.1-114.0 -84.4 135.0 30.8 4.1 9.5 186 185 A P > - 0 0 33 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.500 24.5-133.8 -61.8 133.1 30.6 1.6 6.6 187 186 A R G > S+ 0 0 111 1,-0.3 3,-1.1 -2,-0.2 49,-0.1 0.758 102.3 65.2 -65.1 -24.8 28.0 3.1 4.3 188 187 A D G 3 S+ 0 0 84 1,-0.2 -1,-0.3 47,-0.0 51,-0.1 0.366 103.3 47.9 -79.3 5.4 26.2 -0.3 3.9 189 188 A R G < S+ 0 0 47 -3,-2.0 -23,-2.5 -24,-0.0 2,-0.5 0.152 86.7 109.9-126.6 18.4 25.3 -0.2 7.7 190 189 A V E < +g 166 0B 0 -3,-1.1 2,-0.3 -25,-0.2 -23,-0.2 -0.832 38.4 174.4-102.5 125.8 23.9 3.4 7.9 191 190 A L E -g 167 0B 0 -25,-2.8 -23,-2.7 -2,-0.5 2,-0.3 -0.848 26.0-122.7-119.2 162.9 20.2 4.1 8.4 192 191 A T E +g 168 0B 1 -2,-0.3 -187,-3.0 -25,-0.3 2,-0.3 -0.813 33.6 163.4-107.6 148.9 18.4 7.4 8.9 193 192 A E - 0 0 0 -25,-2.3 -186,-0.1 -2,-0.3 -189,-0.1 -0.934 30.8-158.3-148.6 168.7 16.2 8.4 11.9 194 193 A T - 0 0 1 -188,-0.8 5,-0.2 -2,-0.3 -187,-0.2 0.590 22.4-146.9-113.9 -33.7 14.7 11.4 13.7 195 194 A D >> - 0 0 10 -189,-2.4 4,-1.8 1,-0.2 3,-1.0 0.801 41.8-151.5 59.1 29.6 14.0 10.2 17.2 196 195 A G T 34 + 0 0 0 1,-0.3 -188,-3.0 -190,-0.3 -1,-0.2 -0.381 64.0 21.0 -63.9 152.1 10.9 12.5 17.2 197 196 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 9,-0.1 -0.951 123.1 55.8 -89.1 7.5 9.5 13.9 19.3 198 197 A F T <4 S+ 0 0 100 -3,-1.0 2,-0.3 7,-0.1 -2,-0.2 0.923 97.6 71.2 -62.4 -47.7 12.5 13.8 21.7 199 198 A L S < S- 0 0 7 -4,-1.8 7,-2.8 -5,-0.2 2,-0.4 -0.567 75.7-154.3 -69.0 128.7 14.8 15.4 19.2 200 199 A E E -H 205 0C 123 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.910 7.9-165.0-104.3 135.9 14.0 19.1 18.7 201 200 A L E > S-H 204 0C 42 3,-2.7 3,-1.7 -2,-0.4 -2,-0.0 -0.992 81.3 -12.6-115.2 125.5 14.9 20.9 15.5 202 201 A D T 3 S- 0 0 172 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.856 130.7 -54.4 49.8 41.8 14.7 24.7 15.8 203 202 A G T 3 S+ 0 0 52 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.553 119.5 100.7 76.5 9.9 13.0 24.4 19.2 204 203 A Q E < S-H 201 0C 143 -3,-1.7 -3,-2.7 0, 0.0 -1,-0.2 -0.958 82.5 -95.1-128.6 145.1 10.2 22.2 17.9 205 204 A A E -H 200 0C 49 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.1 -0.318 46.4-112.8 -59.4 133.1 9.7 18.4 18.2 206 205 A A - 0 0 0 -7,-2.8 -1,-0.1 -12,-0.1 -7,-0.1 -0.358 24.9-150.7 -63.1 144.2 10.9 16.6 15.1 207 206 A L > - 0 0 54 -11,-0.1 3,-2.3 -10,-0.1 4,-0.2 -0.831 30.1-105.8-109.6 157.2 8.5 14.8 12.8 208 207 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.1 0.837 117.3 60.0 -54.0 -35.6 9.4 11.7 10.7 209 208 A W G > S+ 0 0 61 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.597 82.2 81.3 -77.1 -3.4 9.6 13.6 7.5 210 209 A D G X> + 0 0 53 -3,-2.3 3,-1.4 1,-0.3 4,-0.6 0.564 69.4 87.7 -69.8 -8.1 12.4 15.8 8.9 211 210 A V H X> + 0 0 0 -3,-1.7 4,-2.0 1,-0.3 3,-0.5 0.732 67.7 77.1 -62.0 -22.7 14.5 12.8 8.0 212 211 A K H <> S+ 0 0 121 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.878 91.3 54.5 -50.6 -38.9 14.8 14.5 4.5 213 212 A S H <> S+ 0 0 46 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.812 104.1 52.6 -68.6 -29.2 17.3 16.8 6.3 214 213 A V H S+ 0 0 27 -4,-2.2 5,-1.3 1,-0.2 4,-1.0 0.913 109.8 43.2 -54.9 -42.7 24.6 13.8 0.7 220 219 A K H <5S+ 0 0 172 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.912 116.8 44.7 -70.9 -45.9 27.1 16.5 1.9 221 220 A I H <5S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.913 122.8 36.2 -66.8 -43.9 29.2 14.2 4.1 222 221 A W H <5S- 0 0 11 -4,-3.1 -1,-0.2 2,-0.1 -2,-0.2 0.636 103.4-132.8 -81.7 -16.0 29.4 11.4 1.6 223 222 A Q T <5 + 0 0 173 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.1 0.904 66.0 116.2 56.6 47.3 29.5 13.8 -1.4 224 223 A I S > - 0 0 76 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.326 37.3-115.4 -65.8 150.9 23.4 13.1 -4.6 226 225 A A H 3> S+ 0 0 34 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.851 115.1 58.7 -52.5 -38.8 20.5 12.9 -2.1 227 226 A S H 3> S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.863 105.6 48.6 -61.0 -35.4 18.7 10.3 -4.4 228 227 A E H <> S+ 0 0 73 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.879 109.8 52.2 -74.6 -37.4 21.8 8.0 -4.2 229 228 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.958 109.5 49.9 -57.9 -47.7 21.7 8.4 -0.4 230 229 A E H X S+ 0 0 55 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.902 112.1 48.0 -57.2 -42.0 18.0 7.4 -0.4 231 230 A R H X S+ 0 0 112 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.920 111.0 49.7 -64.4 -48.0 18.8 4.4 -2.5 232 231 A I H X S+ 0 0 22 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.931 110.9 49.3 -58.1 -47.1 21.6 3.3 -0.3 233 232 A V H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.923 112.7 47.9 -60.8 -42.0 19.5 3.6 2.9 234 233 A K H X S+ 0 0 70 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.913 111.9 49.5 -63.2 -43.1 16.7 1.5 1.2 235 234 A E H X S+ 0 0 92 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.885 110.3 52.4 -59.6 -40.0 19.2 -1.1 0.1 236 235 A N H X S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.912 107.3 50.3 -66.3 -40.9 20.5 -1.1 3.6 237 236 A V H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.928 110.3 51.3 -62.4 -42.8 17.0 -1.7 5.1 238 237 A S H X S+ 0 0 83 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.932 112.7 45.1 -57.2 -45.5 16.5 -4.6 2.6 239 238 A R H X S+ 0 0 105 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.906 110.5 54.6 -66.8 -40.1 19.8 -6.2 3.7 240 239 A L H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.919 106.7 50.6 -56.4 -48.8 19.0 -5.6 7.4 241 240 A L H 3< S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 105.0 59.2 -61.1 -29.0 15.7 -7.5 7.0 242 241 A G H 3< 0 0 68 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.766 360.0 360.0 -67.4 -28.1 17.7 -10.3 5.3 243 242 A T << 0 0 91 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.575 360.0 360.0 -71.0 360.0 19.8 -10.7 8.5