==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JUN-12 4AWU . COMPND 2 MOLECULE: OXIDOREDUCTASE, FMN-BINDING; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR J.ELEGHEERT,A.BRIGE,S.N.SAVVIDES . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.5 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 2 1 0 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 3 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 PARALLEL BRIDGES PER LADDER . 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 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 2 A T > 0 0 61 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -0.8 12.5 -22.6 -8.9 2 3 A Q T >4 + 0 0 157 1,-0.2 3,-0.6 2,-0.2 333,-0.0 0.946 360.0 40.4 -61.5 -49.9 16.3 -22.8 -9.4 3 4 A S G >4 S+ 0 0 29 1,-0.2 3,-2.1 2,-0.2 -1,-0.2 0.869 108.4 62.4 -65.6 -36.5 16.7 -19.2 -10.6 4 5 A L G 34 S+ 0 0 0 1,-0.3 14,-2.6 299,-0.1 15,-0.3 0.793 105.3 48.0 -60.6 -27.1 14.2 -17.9 -8.0 5 6 A F G << S+ 0 0 47 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.125 87.4 108.0-106.2 22.6 16.6 -19.2 -5.3 6 7 A Q S < S- 0 0 92 -3,-2.1 9,-0.0 1,-0.1 -3,-0.0 -0.777 74.2-115.5 -89.1 140.0 19.7 -17.6 -6.8 7 8 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.189 30.8-159.7 -65.8 168.9 21.0 -14.6 -4.9 8 9 A I E -A 15 0A 22 7,-1.4 7,-2.7 9,-0.2 2,-0.4 -0.982 17.6-120.7-153.9 141.9 21.0 -11.1 -6.5 9 10 A T E -A 14 0A 89 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.713 22.4-174.2 -83.6 130.6 22.9 -7.9 -6.0 10 11 A L E > -A 13 0A 1 3,-2.6 3,-2.2 -2,-0.4 2,-0.4 -0.862 62.2 -65.4-125.0 94.0 20.7 -4.9 -5.2 11 12 A G T 3 S- 0 0 36 -2,-0.5 217,-0.1 1,-0.3 216,-0.0 -0.501 122.1 -9.2 63.4-117.3 23.0 -1.9 -5.1 12 13 A A T 3 S+ 0 0 94 -2,-0.4 2,-0.3 215,-0.3 -1,-0.3 0.454 123.6 91.3 -88.2 -1.8 25.3 -2.4 -2.1 13 14 A L E < -A 10 0A 42 -3,-2.2 -3,-2.6 162,-0.1 2,-0.6 -0.685 61.7-153.3-100.2 147.7 23.3 -5.4 -1.0 14 15 A T E -A 9 0A 115 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.876 25.1-153.7-116.8 96.1 23.7 -9.1 -1.8 15 16 A L E -A 8 0A 8 -7,-2.7 -7,-1.4 -2,-0.6 36,-0.1 -0.334 15.7-131.5 -75.8 150.7 20.2 -10.6 -1.4 16 17 A K S S- 0 0 129 35,-0.3 2,-0.3 -9,-0.2 -1,-0.1 0.801 80.2 -9.1 -74.3 -30.3 19.7 -14.3 -0.6 17 18 A N - 0 0 11 2,-0.2 -12,-0.2 -9,-0.1 -9,-0.2 -0.898 69.9 -98.4-155.7-176.8 17.1 -15.0 -3.3 18 19 A R S S+ 0 0 43 -14,-2.6 300,-2.6 -2,-0.3 2,-0.4 0.220 80.5 113.5 -97.5 13.7 14.8 -13.4 -5.9 19 20 A I E -b 318 0B 0 -15,-0.3 32,-2.0 298,-0.2 33,-1.7 -0.743 46.8-165.6 -94.4 129.6 11.7 -13.4 -3.7 20 21 A V E -bc 319 52B 0 298,-2.8 300,-2.2 -2,-0.4 33,-0.2 -0.923 20.5-146.7-113.6 136.2 10.2 -10.2 -2.6 21 22 A M E - c 0 53B 1 31,-2.8 33,-2.9 -2,-0.4 300,-0.1 -0.918 35.4-149.4 -90.0 107.8 7.7 -9.5 0.0 22 23 A P - 0 0 4 0, 0.0 34,-0.1 0, 0.0 2,-0.0 -0.247 33.0 -66.4 -77.3 169.3 5.9 -6.6 -1.6 23 24 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.323 54.5-178.5 -57.8 129.2 4.3 -3.7 0.2 24 25 A L - 0 0 27 30,-0.3 32,-0.4 -3,-0.1 2,-0.2 -0.848 20.2-143.3-137.2 98.1 1.2 -5.0 2.1 25 26 A T + 0 0 34 -2,-0.4 45,-0.1 1,-0.2 33,-0.1 -0.409 27.9 165.7 -54.8 122.5 -0.8 -2.5 4.1 26 27 A R - 0 0 1 -2,-0.2 324,-2.0 43,-0.1 -1,-0.2 0.422 35.6-140.8-119.9 -8.8 -2.0 -4.2 7.3 27 28 A S + 0 0 8 322,-0.2 43,-0.2 1,-0.1 323,-0.1 0.902 57.5 133.0 48.3 53.0 -3.1 -1.1 9.2 28 29 A R + 0 0 8 322,-0.1 42,-0.2 321,-0.1 12,-0.1 0.236 25.2 141.0-111.7 9.3 -1.7 -2.3 12.5 29 30 A A - 0 0 5 40,-2.3 7,-0.2 1,-0.1 5,-0.2 -0.267 59.7-102.1 -63.0 138.9 0.0 1.0 13.4 30 31 A S B >> -K 35 0C 51 5,-2.7 5,-1.5 3,-0.1 4,-0.9 -0.290 47.4 -99.2 -62.7 140.6 -0.2 1.9 17.1 31 32 A Q T 45S+ 0 0 93 2,-0.2 2,-0.1 3,-0.2 -1,-0.1 -0.918 94.4 28.9-115.3 140.2 -2.7 4.6 18.0 32 33 A P T 45S+ 0 0 121 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 0.654 127.6 27.3 -84.0 169.5 -2.4 7.4 18.5 33 34 A G T 45S- 0 0 38 1,-0.1 39,-0.3 -2,-0.1 -2,-0.2 0.220 97.4-111.5 111.4 -13.0 0.6 8.4 16.4 34 35 A D T <5 + 0 0 13 -4,-0.9 38,-2.7 1,-0.2 2,-0.5 0.936 58.0 175.4 49.0 55.8 0.4 5.8 13.6 35 36 A V B < -K 30 0C 26 -5,-1.5 -5,-2.7 36,-0.2 -1,-0.2 -0.792 37.4-118.8-102.6 129.1 3.6 4.2 14.9 36 37 A A - 0 0 3 -2,-0.5 2,-0.2 36,-0.3 48,-0.1 -0.384 49.9-172.0 -56.7 139.5 5.2 1.0 13.6 37 38 A N > - 0 0 23 45,-0.1 4,-2.1 47,-0.1 5,-0.1 -0.575 34.7 -77.0-136.5-172.5 5.1 -1.4 16.6 38 39 A H H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 121.2 50.3 -62.0 -46.6 6.2 -4.7 18.1 39 40 A M H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.855 111.1 51.6 -64.4 -31.6 3.7 -6.9 16.3 40 41 A M H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.908 108.1 51.1 -69.2 -40.8 4.8 -5.4 13.0 41 42 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.926 113.4 45.0 -60.6 -44.5 8.4 -6.0 13.8 42 43 A I H X S+ 0 0 58 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.942 112.3 53.1 -61.5 -48.0 7.6 -9.7 14.6 43 44 A Y H X S+ 0 0 1 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.896 113.3 41.0 -55.7 -48.0 5.4 -9.9 11.5 44 45 A Y H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.889 113.5 53.4 -70.8 -38.8 8.2 -8.6 9.1 45 46 A A H >< S+ 0 0 13 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.853 102.1 59.8 -65.2 -33.7 10.9 -10.7 10.9 46 47 A Q H 3< S+ 0 0 69 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.754 110.3 43.0 -59.9 -25.5 8.8 -13.8 10.4 47 48 A R T X< S+ 0 0 0 -3,-1.0 3,-1.7 -4,-0.5 -1,-0.3 0.163 78.2 114.0-109.8 16.5 9.0 -13.2 6.7 48 49 A A T < + 0 0 3 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.313 53.7 83.6 -80.8 10.0 12.6 -12.3 6.5 49 50 A S T 3 S+ 0 0 55 279,-0.4 -1,-0.3 -3,-0.2 -30,-0.2 0.545 70.9 103.8 -83.6 -7.9 13.5 -15.3 4.5 50 51 A A S < S- 0 0 2 -3,-1.7 45,-0.2 1,-0.1 -34,-0.2 -0.377 82.7-128.3 -60.1 151.5 12.4 -13.2 1.6 51 52 A G S S+ 0 0 2 -32,-2.0 44,-0.8 1,-0.3 2,-0.4 0.868 93.6 10.4 -69.9 -36.7 15.3 -11.8 -0.4 52 53 A L E -cd 20 95B 0 -33,-1.7 -31,-2.8 42,-0.1 2,-0.5 -0.997 66.7-157.0-144.0 135.7 13.8 -8.4 -0.0 53 54 A I E -cd 21 96B 0 42,-2.5 44,-2.6 -2,-0.4 2,-0.5 -0.953 5.1-163.6-108.5 134.0 11.0 -7.0 2.1 54 55 A V E - d 0 97B 0 -33,-2.9 -30,-0.3 -2,-0.5 44,-0.2 -0.986 25.7-124.8-112.1 126.3 9.3 -3.8 1.0 55 56 A S E - 0 0 0 42,-3.1 3,-0.1 -2,-0.5 -30,-0.1 -0.226 30.9 -90.5 -64.7 156.1 7.3 -2.3 3.8 56 57 A E E - 0 0 0 -32,-0.4 43,-0.5 -33,-0.2 -1,-0.1 -0.219 69.1 -68.2 -48.6 153.9 3.6 -1.5 3.6 57 58 A G E - d 0 99B 0 41,-0.1 2,-0.4 43,-0.1 43,-0.2 -0.255 55.7-163.1 -48.8 133.1 3.0 2.0 2.4 58 59 A T E - d 0 100B 0 41,-2.8 43,-2.4 -3,-0.1 14,-0.2 -0.980 20.0-119.8-129.3 119.9 4.1 4.5 5.0 59 60 A Q E -ed 72 101B 0 12,-1.0 14,-1.9 -2,-0.4 43,-0.2 -0.270 10.2-150.9 -66.9 139.8 2.8 8.1 4.8 60 61 A I S S+ 0 0 5 41,-1.9 -1,-0.1 12,-0.2 42,-0.1 0.564 76.4 3.8 -88.2 -8.9 5.5 10.8 4.4 61 62 A S S > S- 0 0 7 40,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.967 84.1 -91.0-162.6 169.1 3.4 13.5 6.1 62 63 A P G > S+ 0 0 46 0, 0.0 3,-0.6 0, 0.0 51,-0.1 0.837 126.4 46.5 -58.3 -33.3 0.1 14.0 8.0 63 64 A T G 3 S+ 0 0 45 1,-0.2 55,-0.3 49,-0.1 41,-0.2 0.362 100.1 69.1 -93.5 6.5 -1.6 14.9 4.7 64 65 A A G < S+ 0 0 0 -3,-1.5 39,-2.0 38,-0.1 2,-0.2 0.512 77.1 104.9 -96.6 -8.6 -0.1 11.9 2.8 65 66 A K < + 0 0 23 -3,-0.6 43,-0.2 -4,-0.4 46,-0.1 -0.517 37.5 171.8 -80.4 139.4 -2.2 9.4 4.8 66 67 A G + 0 0 0 1,-0.2 2,-0.3 -2,-0.2 65,-0.2 0.658 60.2 41.5-114.8 -25.5 -5.2 7.7 3.2 67 68 A Y S > S- 0 0 32 63,-0.1 3,-1.3 44,-0.1 -1,-0.2 -0.954 84.7 -95.9-136.2 145.0 -6.3 5.0 5.6 68 69 A A T 3 S+ 0 0 4 63,-1.6 -39,-0.1 -2,-0.3 282,-0.1 -0.256 102.1 9.1 -56.3 137.8 -6.8 4.6 9.3 69 70 A W T 3 S+ 0 0 52 1,-0.2 -40,-2.3 64,-0.1 -1,-0.2 0.590 82.1 144.0 72.9 15.2 -3.9 3.0 11.3 70 71 A T < - 0 0 0 -3,-1.3 -1,-0.2 -43,-0.2 2,-0.2 -0.667 56.4-105.7 -81.6 143.7 -1.3 3.0 8.5 71 72 A P - 0 0 0 0, 0.0 -12,-1.0 0, 0.0 -36,-0.2 -0.460 31.7-146.4 -73.7 139.3 2.2 3.6 9.9 72 73 A G B -e 59 0B 0 -38,-2.7 -36,-0.3 -39,-0.3 -12,-0.2 -0.446 10.6-157.7 -94.0 173.5 3.9 7.0 9.3 73 74 A I S S+ 0 0 0 -14,-1.9 95,-0.1 -2,-0.1 -13,-0.1 -0.043 74.0 75.9-141.7 35.2 7.5 7.8 8.7 74 75 A Y S S+ 0 0 65 -15,-0.1 -14,-0.1 94,-0.1 3,-0.0 0.626 75.6 73.8-122.9 -21.2 7.8 11.5 9.6 75 76 A T S > S- 0 0 33 -42,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.621 82.5-119.0 -93.1 156.7 7.7 11.7 13.5 76 77 A P H > S+ 0 0 94 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 117.6 52.0 -58.1 -38.2 10.6 10.7 15.7 77 78 A E H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 109.4 48.9 -64.9 -42.1 8.3 8.1 17.3 78 79 A Q H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -42,-0.3 0.887 110.8 50.1 -64.4 -40.2 7.5 6.7 13.9 79 80 A I H X S+ 0 0 15 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.925 111.7 48.3 -64.4 -43.7 11.1 6.5 12.9 80 81 A A H X S+ 0 0 56 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.898 109.8 52.6 -63.9 -42.2 12.0 4.7 16.1 81 82 A G H X S+ 0 0 8 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.905 110.7 46.8 -59.3 -44.0 9.1 2.3 15.6 82 83 A W H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.854 105.2 62.0 -66.2 -34.2 10.4 1.5 12.1 83 84 A R H X S+ 0 0 89 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.902 102.0 49.8 -59.5 -41.1 13.9 1.1 13.5 84 85 A I H X S+ 0 0 102 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.889 111.4 50.8 -65.9 -36.2 12.8 -1.8 15.7 85 86 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.956 111.8 45.2 -62.7 -50.9 11.2 -3.4 12.6 86 87 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 86,-0.3 -2,-0.2 0.867 113.4 50.3 -66.4 -34.4 14.3 -3.0 10.5 87 88 A E H X S+ 0 0 93 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.910 109.9 50.8 -66.5 -41.7 16.5 -4.3 13.3 88 89 A A H X S+ 0 0 27 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.921 115.3 42.9 -60.1 -44.6 14.2 -7.3 13.8 89 90 A V H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.911 113.1 51.2 -67.4 -44.4 14.4 -8.0 10.0 90 91 A H H >< S+ 0 0 56 -4,-2.9 3,-1.0 1,-0.3 -2,-0.2 0.828 99.5 64.8 -66.7 -30.2 18.1 -7.4 9.8 91 92 A A H 3< S+ 0 0 83 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.809 103.9 48.7 -57.8 -29.3 18.7 -9.8 12.7 92 93 A K H << S- 0 0 126 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.574 122.6-105.5 -88.3 -12.3 17.3 -12.5 10.3 93 94 A G S << S+ 0 0 29 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.934 73.6 125.2 81.1 78.1 19.6 -11.5 7.4 94 95 A C - 0 0 18 -4,-0.1 2,-0.3 -79,-0.1 -1,-0.3 -0.977 55.3-119.2-160.4 155.0 17.3 -9.7 5.0 95 96 A A E -d 52 0B 4 -44,-0.8 -42,-2.5 -2,-0.3 2,-0.4 -0.809 26.9-167.5-102.1 146.8 17.0 -6.4 3.2 96 97 A I E -d 53 0B 0 -2,-0.3 79,-2.8 -44,-0.2 80,-0.7 -0.982 7.1-168.5-140.8 128.2 14.1 -4.0 3.8 97 98 A F E -df 54 176B 0 -44,-2.6 -42,-3.1 -2,-0.4 2,-0.5 -0.846 22.6-127.2-108.1 147.7 13.0 -0.9 1.9 98 99 A A E - f 0 177B 0 78,-2.3 80,-3.1 -2,-0.3 2,-1.0 -0.834 16.7-136.1 -94.4 126.5 10.4 1.5 3.1 99 100 A Q E -df 57 178B 4 -43,-0.5 -41,-2.8 -2,-0.5 2,-0.5 -0.722 19.4-145.2 -83.7 106.1 7.5 2.3 0.7 100 101 A L E -df 58 179B 0 78,-2.0 80,-2.2 -2,-1.0 2,-0.4 -0.594 22.1-160.4 -76.6 123.4 7.1 6.0 0.8 101 102 A W E +d 59 0B 5 -43,-2.4 -41,-1.9 -2,-0.5 2,-0.4 -0.874 30.4 165.7-118.0 130.5 3.5 6.8 0.4 102 103 A H - 0 0 0 -2,-0.4 84,-2.1 78,-0.4 85,-0.4 -0.931 14.0-168.5-134.0 117.9 1.4 9.9 -0.5 103 104 A V > - 0 0 0 -39,-2.0 3,-1.9 -2,-0.4 2,-0.2 0.679 16.3-173.0 -81.9 -20.5 -2.2 9.0 -1.4 104 105 A G T 3 S+ 0 0 0 1,-0.3 14,-0.4 -41,-0.2 -1,-0.2 -0.430 71.8 0.9 69.0-125.7 -3.0 12.3 -2.9 105 106 A R T 3 S+ 0 0 9 -2,-0.2 2,-1.8 1,-0.2 20,-0.3 0.570 111.6 92.5 -74.6 -9.9 -6.8 12.5 -3.6 106 107 A V S < S+ 0 0 0 -3,-1.9 2,-0.3 12,-0.2 -1,-0.2 -0.497 78.0 67.1 -87.2 70.6 -7.3 9.0 -2.2 107 108 A T S S- 0 0 0 -2,-1.8 38,-1.9 38,-0.3 -41,-0.1 -0.933 72.2-116.0-165.7-174.5 -8.2 10.0 1.3 108 109 A H >> - 0 0 41 -2,-0.3 3,-2.5 -43,-0.2 4,-0.8 -0.985 31.1-114.4-140.4 143.1 -10.7 11.8 3.5 109 110 A P G >4>S+ 0 0 32 0, 0.0 5,-3.0 0, 0.0 3,-1.1 0.827 114.5 64.3 -50.3 -36.0 -10.2 15.0 5.6 110 111 A D G 345S+ 0 0 72 1,-0.3 3,-0.4 3,-0.2 23,-0.1 0.776 103.7 47.5 -57.6 -28.6 -10.6 13.0 8.8 111 112 A N G <45S+ 0 0 11 -3,-2.5 -1,-0.3 1,-0.2 -46,-0.2 0.616 114.5 46.9 -86.9 -13.8 -7.5 11.0 7.9 112 113 A I T X<5S- 0 0 0 -3,-1.1 3,-1.9 -4,-0.8 -1,-0.2 -0.254 123.6 -86.6-127.7 47.0 -5.4 14.2 7.1 113 114 A D T 3 5S- 0 0 116 -3,-0.4 -3,-0.2 1,-0.3 3,-0.1 0.800 84.4 -59.2 61.3 33.6 -6.1 16.6 10.0 114 115 A G T 3 - 0 0 0 20,-0.4 3,-1.4 -20,-0.3 19,-0.3 -0.687 44.8-128.5 -72.1 107.3 -11.5 9.4 -7.6 126 127 A E T 3 S- 0 0 126 -2,-0.9 3,-0.1 115,-0.3 114,-0.1 -0.363 79.1 -2.3 -68.6 134.7 -15.0 8.2 -8.5 127 128 A N T 3 S+ 0 0 145 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.639 97.9 138.1 65.5 16.1 -16.5 5.4 -6.5 128 129 A V < - 0 0 14 -3,-1.4 16,-2.2 112,-0.1 2,-0.3 -0.786 32.5-168.4 -99.7 136.4 -13.4 5.2 -4.4 129 130 A K E -M 143 0E 102 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.909 7.7-165.1-122.3 148.0 -13.5 4.7 -0.6 130 131 A V E -M 142 0E 0 12,-2.5 12,-3.1 -2,-0.3 2,-0.4 -0.804 29.3-106.7-119.9 169.9 -11.0 5.0 2.2 131 132 A F E -M 141 0E 43 -2,-0.3 -63,-1.6 10,-0.2 2,-0.4 -0.837 34.7-168.2-102.6 133.1 -11.3 3.7 5.8 132 133 A V E +M 140 0E 6 8,-3.1 8,-2.1 -2,-0.4 2,-0.2 -0.962 23.5 176.5-125.9 138.6 -11.7 6.2 8.6 133 134 A D + 0 0 58 -2,-0.4 -64,-0.1 6,-0.2 5,-0.1 -0.705 15.6 164.3-131.9 80.1 -11.5 6.0 12.4 134 135 A N - 0 0 53 -2,-0.2 4,-0.1 3,-0.1 -1,-0.1 0.479 53.9-114.6 -82.6 -2.7 -12.0 9.6 13.5 135 136 A G S S+ 0 0 66 2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.108 104.1 58.8 94.8 -22.2 -12.8 8.7 17.1 136 137 A S S S+ 0 0 109 2,-0.1 -1,-0.1 1,-0.1 2,-0.1 0.852 98.0 48.0-102.0 -65.6 -16.4 9.9 17.0 137 138 A D S S- 0 0 110 1,-0.1 -2,-0.4 3,-0.0 -3,-0.1 -0.368 103.3 -86.0 -73.8 157.7 -18.2 8.0 14.3 138 139 A E - 0 0 184 1,-0.1 -1,-0.1 -4,-0.1 -6,-0.1 -0.461 56.5-100.4 -63.2 131.0 -17.9 4.2 14.1 139 140 A P + 0 0 54 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.234 69.8 117.7 -55.5 141.4 -14.8 3.3 12.1 140 141 A G E -M 132 0E 22 -8,-2.1 -8,-3.1 -3,-0.1 2,-0.3 -0.981 62.5 -53.0 178.3-177.6 -15.7 2.4 8.5 141 142 A F E +M 131 0E 129 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.611 48.9 178.3 -83.0 136.2 -15.3 3.1 4.8 142 143 A V E -M 130 0E 48 -12,-3.1 -12,-2.5 -2,-0.3 2,-0.1 -0.934 35.5 -93.7-133.1 156.5 -16.2 6.5 3.5 143 144 A D E -M 129 0E 71 -2,-0.3 -14,-0.2 -14,-0.2 -17,-0.1 -0.434 47.0-107.1 -69.0 142.6 -16.1 8.2 0.1 144 145 A V - 0 0 4 -16,-2.2 -36,-0.2 -19,-0.3 2,-0.1 -0.302 35.8-116.5 -64.9 154.9 -13.0 10.1 -0.7 145 146 A A - 0 0 24 -38,-1.9 -20,-0.4 -40,-0.2 -38,-0.3 -0.418 33.1 -90.4 -88.3 167.6 -13.2 13.9 -0.7 146 147 A V - 0 0 75 -22,-0.1 -22,-0.1 -2,-0.1 2,-0.1 -0.662 47.6-136.2 -77.7 130.0 -12.7 16.1 -3.7 147 148 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -29,-0.3 -0.391 4.2-128.1 -83.3 164.0 -9.0 17.2 -4.0 148 149 A R E -l 118 0D 86 -31,-2.5 -29,-1.6 -2,-0.1 2,-0.3 -0.851 34.7-102.2-104.2 149.6 -7.6 20.6 -4.7 149 150 A A E -l 119 0D 39 -2,-0.3 -29,-0.2 -31,-0.2 -28,-0.2 -0.527 40.5-110.3 -74.2 133.2 -5.0 20.9 -7.4 150 151 A M - 0 0 2 -31,-2.7 2,-0.1 -2,-0.3 -1,-0.1 -0.370 28.0-142.7 -64.5 135.6 -1.4 21.2 -6.2 151 152 A T > - 0 0 67 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.394 33.8 -98.2 -84.7 172.1 0.3 24.6 -6.6 152 153 A K H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.845 129.4 52.1 -59.2 -32.6 4.0 24.9 -7.4 153 154 A A H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 106.7 51.3 -71.8 -40.4 4.5 25.5 -3.7 154 155 A D H > S+ 0 0 29 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.910 109.7 51.5 -59.1 -42.9 2.6 22.3 -2.8 155 156 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.934 110.5 47.3 -61.8 -46.3 4.8 20.4 -5.3 156 157 A A H X S+ 0 0 61 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.887 113.5 49.5 -61.3 -38.8 7.9 21.8 -3.7 157 158 A Q H X S+ 0 0 107 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.932 111.7 46.2 -69.1 -46.0 6.6 20.9 -0.2 158 159 A V H X S+ 0 0 5 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.905 111.7 51.5 -64.8 -41.8 5.6 17.3 -1.1 159 160 A I H X S+ 0 0 26 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.910 110.8 50.2 -58.0 -40.9 9.0 16.8 -2.9 160 161 A A H X S+ 0 0 43 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.913 109.9 49.6 -61.8 -44.4 10.5 18.1 0.4 161 162 A D H X S+ 0 0 33 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.879 111.2 49.1 -63.6 -40.3 8.4 15.7 2.4 162 163 A Y H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.930 112.0 49.3 -62.7 -44.8 9.4 12.8 0.2 163 164 A R H X S+ 0 0 88 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.911 114.3 43.9 -62.0 -44.1 13.1 13.8 0.5 164 165 A Q H X S+ 0 0 94 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.882 109.3 57.0 -69.7 -38.9 12.9 14.0 4.3 165 166 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.856 105.2 53.0 -58.6 -36.9 10.9 10.8 4.5 166 167 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.901 109.8 46.5 -65.5 -42.7 13.8 9.1 2.6 167 168 A L H X S+ 0 0 63 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.919 111.6 52.8 -64.5 -40.9 16.3 10.5 5.2 168 169 A N H X S+ 0 0 10 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.881 105.4 54.5 -61.1 -39.5 13.9 9.3 7.9 169 170 A A H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 -1,-0.2 0.914 109.2 47.1 -60.4 -42.5 13.9 5.8 6.4 170 171 A M H ><5S+ 0 0 31 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.893 110.6 52.2 -67.4 -36.8 17.7 5.7 6.5 171 172 A E H 3<5S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.808 106.4 54.5 -66.4 -29.7 17.5 6.9 10.1 172 173 A A T 3<5S- 0 0 0 -4,-1.8 -86,-0.3 -5,-0.2 -1,-0.3 0.399 123.7-109.5 -83.9 0.2 15.1 4.1 10.8 173 174 A G T < 5 + 0 0 13 -3,-1.4 -3,-0.2 1,-0.2 -77,-0.1 0.606 64.1 153.3 84.3 12.5 17.7 1.7 9.4 174 175 A F < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -77,-0.2 -0.410 46.8-135.5 -64.9 151.7 15.9 0.8 6.2 175 176 A D S S- 0 0 37 -79,-2.8 2,-0.3 1,-0.2 -78,-0.2 0.607 77.0 -30.6 -82.8 -13.5 18.3 -0.3 3.4 176 177 A G E -f 97 0B 0 -80,-0.7 -78,-2.3 -7,-0.1 2,-0.3 -0.967 64.4-102.6 179.8-175.7 16.4 1.9 0.9 177 178 A I E -fg 98 229B 0 51,-2.6 53,-3.1 -80,-0.3 2,-0.5 -0.955 13.6-145.5-132.7 151.2 13.1 3.3 -0.0 178 179 A E E -fg 99 230B 0 -80,-3.1 -78,-2.0 -2,-0.3 2,-0.6 -0.981 19.2-136.7-115.4 122.7 10.4 2.5 -2.6 179 180 A L E -fg 100 231B 0 51,-2.9 53,-3.0 -2,-0.5 2,-1.3 -0.671 15.0-138.4 -76.6 119.3 8.5 5.4 -4.1 180 181 A H E + g 0 232B 8 -80,-2.2 7,-0.5 -2,-0.6 -78,-0.4 -0.677 43.9 150.8 -79.7 97.2 4.9 4.4 -4.3 181 182 A A + 0 0 0 51,-1.7 53,-0.4 -2,-1.3 2,-0.2 -0.073 50.1 80.9-115.1 32.6 4.0 5.8 -7.7 182 183 A A > + 0 0 0 51,-0.2 3,-1.8 1,-0.2 6,-0.3 -0.574 60.7 45.5-129.5-178.9 1.2 3.2 -8.3 183 184 A N T 3 S- 0 0 14 1,-0.3 -1,-0.2 -2,-0.2 55,-0.1 0.780 119.7 -62.9 46.3 41.8 -2.4 2.2 -7.6 184 185 A G T 3 S+ 0 0 0 -3,-0.2 -1,-0.3 50,-0.2 -79,-0.1 0.660 95.8 139.1 69.2 20.1 -3.8 5.7 -8.3 185 186 A Y S <> S- 0 0 14 -3,-1.8 4,-1.8 -81,-0.1 3,-0.4 -0.140 70.6 -63.4 -89.8-170.8 -2.0 7.5 -5.5 186 187 A L H >> S+ 0 0 0 -84,-2.1 3,-0.7 1,-0.3 4,-0.6 0.838 134.0 37.7 -48.6 -55.6 -0.5 11.0 -5.6 187 188 A I H >> S+ 0 0 0 -7,-0.5 4,-2.3 -85,-0.4 3,-1.3 0.886 114.8 56.5 -65.6 -35.8 2.2 10.5 -8.3 188 189 A N H 3> S+ 0 0 2 -3,-0.4 4,-2.3 -6,-0.3 -1,-0.3 0.776 98.6 62.5 -62.6 -28.1 -0.1 8.2 -10.2 189 190 A Q H << S+ 0 0 0 -4,-1.8 -1,-0.3 -3,-0.7 -2,-0.2 0.681 109.0 40.9 -74.1 -17.9 -2.5 11.0 -10.3 190 191 A F H << S+ 0 0 0 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.831 115.7 50.0 -89.4 -43.6 0.0 13.1 -12.3 191 192 A I H < S+ 0 0 0 -4,-2.3 2,-0.4 19,-0.1 -2,-0.2 0.919 95.1 73.9 -62.3 -50.7 1.2 10.2 -14.5 192 193 A D S >X S- 0 0 4 -4,-2.3 3,-1.7 1,-0.1 4,-0.5 -0.562 76.8-141.0 -78.9 126.3 -2.1 8.9 -15.8 193 194 A S G >4 S+ 0 0 27 -2,-0.4 3,-1.0 1,-0.3 51,-0.2 0.810 96.1 53.9 -58.9 -39.3 -3.7 11.2 -18.3 194 195 A E G 34 S+ 0 0 127 49,-2.4 -1,-0.3 1,-0.3 50,-0.1 0.605 110.0 48.9 -75.8 -9.5 -7.3 11.0 -17.3 195 196 A A G <4 S+ 0 0 1 -3,-1.7 2,-0.5 48,-0.4 -74,-0.3 0.449 103.8 69.8-102.0 -4.3 -6.4 11.9 -13.7 196 197 A N << + 0 0 7 -3,-1.0 8,-0.4 -4,-0.5 -1,-0.1 -0.920 41.8 157.3-123.4 106.1 -4.3 14.9 -14.8 197 198 A N + 0 0 110 -2,-0.5 6,-0.1 6,-0.1 -1,-0.1 0.049 31.9 140.1-110.0 21.5 -6.1 18.0 -16.2 198 199 A R - 0 0 31 4,-0.2 -77,-0.1 1,-0.1 -2,-0.1 -0.316 39.4-162.7 -66.4 150.5 -3.3 20.4 -15.4 199 200 A S + 0 0 129 5,-0.1 -1,-0.1 3,-0.0 2,-0.0 0.423 66.6 79.5-111.8 -5.5 -2.3 23.1 -17.9 200 201 A D S > S- 0 0 44 1,-0.0 3,-1.6 4,-0.0 8,-0.0 -0.074 109.6 -68.6 -87.8-163.8 1.1 23.9 -16.5 201 202 A E T 3 S+ 0 0 79 1,-0.3 10,-0.2 3,-0.1 -1,-0.0 0.439 127.8 63.0 -71.6 2.1 4.3 22.0 -17.0 202 203 A Y T 3 S+ 0 0 15 9,-0.1 2,-0.3 8,-0.1 -1,-0.3 0.293 104.0 44.8-109.5 8.3 3.0 19.1 -14.9 203 204 A G S < S+ 0 0 3 -3,-1.6 2,-1.0 -6,-0.1 5,-0.1 -0.911 89.4 33.9-143.6 171.4 0.1 18.1 -17.1 204 205 A G S S+ 0 0 52 -8,-0.4 -5,-0.1 -2,-0.3 -3,-0.1 -0.743 95.9 61.0 90.6-100.5 -0.8 17.5 -20.8 205 206 A S S > S- 0 0 55 -2,-1.0 4,-2.5 1,-0.1 5,-0.2 -0.108 87.4-114.3 -60.6 159.5 2.2 16.1 -22.6 206 207 A L H > S+ 0 0 41 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.915 119.4 53.2 -59.6 -43.5 3.7 12.7 -21.6 207 208 A E H 4 S+ 0 0 145 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.884 111.0 46.6 -59.5 -40.7 6.9 14.5 -20.5 208 209 A N H >> S+ 0 0 34 1,-0.2 3,-1.3 2,-0.2 4,-0.5 0.899 108.3 54.4 -68.6 -42.7 4.8 16.9 -18.3 209 210 A R H 3< S+ 0 0 27 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.755 112.0 45.9 -63.4 -24.7 2.8 14.1 -16.8 210 211 A L T 3X S+ 0 0 7 -4,-1.4 4,-2.8 -5,-0.2 -1,-0.3 0.468 88.1 91.8 -94.6 -4.3 6.1 12.4 -15.7 211 212 A R H <> S+ 0 0 50 -3,-1.3 4,-2.7 -4,-0.3 5,-0.2 0.888 84.2 49.9 -61.9 -42.0 7.6 15.6 -14.4 212 213 A F H X S+ 0 0 0 -4,-0.5 4,-2.6 2,-0.2 5,-0.3 0.931 112.3 48.3 -64.5 -43.7 6.5 15.2 -10.8 213 214 A L H > S+ 0 0 0 -4,-0.3 4,-2.5 1,-0.2 5,-0.3 0.944 111.7 51.6 -56.6 -48.9 7.8 11.6 -10.8 214 215 A D H X S+ 0 0 57 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.917 113.6 42.2 -52.9 -49.5 11.1 13.0 -12.3 215 216 A E H X S+ 0 0 53 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.838 113.1 51.3 -75.8 -34.1 11.5 15.6 -9.6 216 217 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.943 113.2 46.0 -64.7 -46.5 10.5 13.5 -6.7 217 218 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.892 108.2 56.3 -64.7 -39.8 12.9 10.8 -7.7 218 219 A A H X S+ 0 0 45 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.935 110.7 45.7 -55.4 -45.7 15.7 13.3 -8.3 219 220 A A H X S+ 0 0 14 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.920 112.3 49.5 -64.1 -47.2 15.2 14.5 -4.7 220 221 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.4 0.932 113.8 46.1 -58.6 -47.5 15.1 10.9 -3.3 221 222 A V H X S+ 0 0 32 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.907 111.7 51.3 -62.9 -43.5 18.3 10.0 -5.2 222 223 A D H < S+ 0 0 119 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.900 113.2 47.8 -59.1 -40.4 20.0 13.2 -4.1 223 224 A A H < S+ 0 0 21 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.936 134.7 1.8 -67.8 -51.1 19.0 12.5 -0.5 224 225 A I H < S- 0 0 5 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.415 107.8 -92.1-128.0 -0.1 20.1 8.8 -0.1 225 226 A G >< - 0 0 16 -4,-2.3 3,-2.0 -5,-0.4 -3,-0.1 0.250 30.1 -98.8 96.0 140.7 21.7 7.7 -3.4 226 227 A A G > S+ 0 0 16 1,-0.3 3,-1.6 2,-0.2 38,-1.5 0.791 118.6 67.2 -63.1 -28.4 20.2 6.0 -6.4 227 228 A E G 3 S+ 0 0 94 1,-0.3 -215,-0.3 36,-0.2 -1,-0.3 0.543 104.8 44.3 -71.4 -5.3 21.4 2.6 -5.1 228 229 A R G < S+ 0 0 92 -3,-2.0 -51,-2.6 -217,-0.1 2,-0.5 0.163 97.8 89.1-122.0 15.5 18.9 2.9 -2.3 229 230 A V E < +g 177 0B 0 -3,-1.6 35,-1.8 -53,-0.2 36,-0.8 -0.962 45.8 170.9-121.6 121.8 15.9 4.2 -4.3 230 231 A G E -gh 178 265B 0 -53,-3.1 -51,-2.9 -2,-0.5 2,-0.4 -0.801 16.1-150.3-116.0 165.2 13.3 1.9 -5.9 231 232 A V E -gh 179 266B 0 34,-1.5 36,-3.1 -2,-0.3 2,-0.5 -0.999 2.5-148.2-137.8 140.7 10.0 2.9 -7.6 232 233 A R E +gh 180 267B 20 -53,-3.0 -51,-1.7 -2,-0.4 2,-0.3 -0.941 18.0 178.2-112.1 130.1 6.8 1.1 -7.9 233 234 A L E - h 0 268B 1 34,-2.7 36,-2.9 -2,-0.5 -51,-0.2 -0.896 21.0-159.9-123.2 153.2 4.5 1.5 -10.9 234 235 A A + 0 0 1 -53,-0.4 -50,-0.2 -2,-0.3 36,-0.1 -0.745 17.2 175.8-129.9 84.2 1.2 -0.1 -11.8 235 236 A P S S+ 0 0 10 0, 0.0 9,-0.2 0, 0.0 -1,-0.1 0.832 74.8 19.3 -61.9 -37.9 0.9 0.5 -15.6 236 237 A L S S+ 0 0 38 33,-0.4 34,-0.1 41,-0.1 42,-0.1 0.685 100.9 84.9-114.9 -26.6 -2.3 -1.4 -16.4 237 238 A T - 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