==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-MAR-09 3GR8 . COMPND 2 MOLECULE: NADPH DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR M.K.UHL,K.GRUBER . 680 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 51 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 2 2 0 0 4 3 1 2 2 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 2 4 0 2 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 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 2 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 M 0 0 148 0, 0.0 2,-0.6 0, 0.0 326,-0.3 0.000 360.0 360.0 360.0 97.8 -19.3 35.0 -24.0 2 2 A N - 0 0 158 324,-0.1 2,-0.3 2,-0.0 5,-0.1 -0.625 360.0-176.0 -76.7 115.1 -20.7 32.2 -21.9 3 3 A T - 0 0 8 -2,-0.6 318,-0.0 1,-0.1 322,-0.0 -0.737 36.1-142.7-114.5 160.3 -17.8 29.8 -21.0 4 4 A M S > S+ 0 0 53 -2,-0.3 3,-1.7 1,-0.1 -1,-0.1 0.765 98.9 67.4 -86.1 -30.1 -17.5 26.5 -19.1 5 5 A L T 3 S+ 0 0 0 1,-0.3 14,-2.7 13,-0.1 15,-0.3 0.885 107.6 38.4 -56.9 -41.9 -14.2 27.5 -17.6 6 6 A F T 3 S+ 0 0 30 12,-0.2 -1,-0.3 13,-0.1 -2,-0.1 -0.088 94.1 110.9-104.6 33.6 -15.8 30.2 -15.5 7 7 A S S < S- 0 0 27 -3,-1.7 -3,-0.1 1,-0.1 9,-0.0 -0.843 75.0-102.6-102.4 145.4 -18.9 28.2 -14.7 8 8 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.185 30.7-158.1 -61.9 157.2 -19.6 27.0 -11.2 9 9 A Y E -A 16 0A 31 7,-2.1 7,-3.1 9,-0.2 2,-0.5 -0.959 2.3-153.7-142.1 121.7 -18.9 23.3 -10.2 10 10 A T E -A 15 0A 81 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.841 11.0-177.1-101.8 126.7 -20.5 21.6 -7.2 11 11 A I E > S-A 14 0A 10 3,-3.1 3,-1.7 -2,-0.5 233,-0.1 -0.928 73.7 -30.1-126.3 105.8 -18.8 18.7 -5.6 12 12 A R T 3 S- 0 0 121 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.509 129.0 -43.7 69.3 4.1 -20.6 16.9 -2.7 13 13 A G T 3 S+ 0 0 63 1,-0.4 2,-0.5 197,-0.0 -1,-0.3 0.310 113.7 115.6 119.1 -6.2 -22.2 20.2 -1.8 14 14 A L E < -A 11 0A 37 -3,-1.7 -3,-3.1 145,-0.1 2,-0.7 -0.857 54.2-150.5 -93.1 126.2 -19.2 22.5 -2.1 15 15 A T E -A 10 0A 87 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.872 4.4-158.9-103.9 115.1 -19.7 25.0 -4.9 16 16 A L E -A 9 0A 2 -7,-3.1 -7,-2.1 -2,-0.7 39,-0.1 -0.755 17.4-138.0 -87.2 135.7 -16.5 26.2 -6.7 17 17 A K S S+ 0 0 68 -2,-0.4 2,-0.3 79,-0.4 -1,-0.1 0.681 81.5 0.3 -71.7 -17.4 -17.1 29.5 -8.5 18 18 A N S S- 0 0 7 2,-0.2 -12,-0.2 -9,-0.1 -9,-0.2 -0.889 74.9-102.5-152.8-172.7 -15.1 28.3 -11.5 19 19 A R S S+ 0 0 23 -14,-2.7 285,-2.8 -2,-0.3 2,-0.5 0.367 78.8 113.7-100.1 3.8 -13.2 25.3 -12.9 20 20 A I E -b 304 0B 0 -15,-0.3 35,-2.0 32,-0.2 34,-0.7 -0.662 43.3-176.6 -83.8 123.2 -9.7 26.7 -12.3 21 21 A V E -bc 305 55B 1 283,-2.9 285,-3.4 -2,-0.5 2,-0.9 -0.963 26.4-132.1-122.2 134.2 -7.7 24.8 -9.7 22 22 A M E -bc 306 56B 1 33,-3.0 35,-1.7 -2,-0.4 285,-0.2 -0.758 32.2-130.7 -83.0 108.7 -4.3 25.6 -8.3 23 23 A S - 0 0 6 283,-2.5 2,-0.1 -2,-0.9 36,-0.1 -0.326 31.9 -93.7 -61.5 138.2 -2.4 22.3 -8.5 24 24 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 34,-0.2 -0.346 51.9-179.9 -56.6 120.0 -0.6 21.4 -5.2 25 25 A M - 0 0 32 32,-0.4 34,-0.4 -2,-0.1 2,-0.1 -0.972 27.3-124.6-133.2 119.4 3.0 22.7 -5.4 26 26 A C - 0 0 29 -2,-0.4 47,-0.1 1,-0.1 35,-0.0 -0.341 21.3-175.5 -59.7 134.0 5.7 22.3 -2.8 27 27 A M - 0 0 33 45,-0.1 -1,-0.1 -2,-0.1 46,-0.1 0.565 21.5-147.7-106.0 -15.5 7.2 25.6 -1.7 28 28 A Y + 0 0 110 1,-0.1 45,-0.2 42,-0.1 -2,-0.1 0.882 56.0 132.0 47.0 44.3 9.9 24.2 0.6 29 29 A S + 0 0 29 43,-0.3 2,-1.4 1,-0.1 11,-0.3 0.113 19.4 112.6-116.4 19.0 9.4 27.4 2.7 30 30 A C > + 0 0 0 42,-2.0 3,-2.1 1,-0.2 5,-0.2 -0.652 37.7 173.9 -90.1 79.7 9.0 26.0 6.2 31 31 A D T 3 S+ 0 0 79 -2,-1.4 -1,-0.2 1,-0.3 42,-0.1 0.748 73.5 62.4 -60.1 -25.9 12.3 27.5 7.5 32 32 A T T 3 S- 0 0 55 4,-0.2 -1,-0.3 -3,-0.2 40,-0.1 0.575 97.0-141.2 -79.1 -9.3 11.5 26.3 11.0 33 33 A K S < S+ 0 0 84 -3,-2.1 -2,-0.1 3,-0.1 39,-0.1 0.724 75.0 104.7 59.0 24.4 11.6 22.7 9.8 34 34 A D S S- 0 0 76 2,-0.1 -1,-0.1 38,-0.1 3,-0.1 0.181 97.3-106.3-119.3 14.3 8.6 21.8 12.0 35 35 A G S S+ 0 0 2 36,-0.4 40,-2.9 38,-0.4 2,-0.2 0.563 70.7 149.6 74.4 9.1 6.0 21.7 9.3 36 36 A A - 0 0 25 38,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.483 55.2-106.8 -78.5 143.1 4.5 25.0 10.5 37 37 A V - 0 0 14 44,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.512 44.9-161.4 -64.6 130.6 2.7 27.4 8.1 38 38 A R > - 0 0 87 -2,-0.2 4,-1.7 1,-0.0 3,-0.5 -0.619 34.3 -94.0-114.5 172.8 5.0 30.3 7.6 39 39 A T H > S+ 0 0 102 1,-0.2 4,-0.9 -2,-0.2 5,-0.2 0.844 120.5 61.9 -53.6 -37.3 4.6 33.9 6.3 40 40 A W H >> S+ 0 0 133 -11,-0.3 4,-3.2 1,-0.2 3,-1.1 0.937 105.2 45.0 -55.2 -50.6 5.5 32.7 2.8 41 41 A H H 3> S+ 0 0 0 -3,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.870 108.0 58.7 -61.8 -37.4 2.5 30.4 2.6 42 42 A K H 3< S+ 0 0 50 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.648 117.3 33.0 -69.3 -15.9 0.3 33.2 4.0 43 43 A I H X S+ 0 0 1 -4,-2.0 4,-1.1 1,-0.2 3,-1.0 0.919 113.0 53.9 -72.4 -47.1 -1.7 31.0 -1.5 46 46 A P H 3> S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.801 98.9 67.0 -59.2 -28.1 -4.1 34.0 -0.8 47 47 A A H 3X S+ 0 0 27 -4,-1.0 4,-1.1 1,-0.2 -2,-0.2 0.872 101.6 46.6 -59.3 -38.6 -2.6 35.8 -3.8 48 48 A R H <<>S+ 0 0 22 -3,-1.0 5,-2.2 -4,-0.7 -1,-0.2 0.772 108.3 56.4 -74.5 -27.4 -4.1 33.2 -6.1 49 49 A A H ><5S+ 0 0 0 -4,-1.1 3,-1.8 1,-0.2 -2,-0.2 0.922 107.5 47.2 -67.6 -45.6 -7.4 33.5 -4.2 50 50 A V H 3<5S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.819 104.0 64.3 -60.4 -30.6 -7.4 37.2 -5.0 51 51 A G T 3<5S- 0 0 0 -4,-1.1 267,-0.4 -5,-0.2 -1,-0.3 0.511 120.9-112.7 -72.4 -4.7 -6.6 36.1 -8.5 52 52 A Q T < 5 + 0 0 19 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.716 56.0 164.3 79.1 24.0 -10.0 34.5 -8.5 53 53 A V < - 0 0 0 -5,-2.2 -1,-0.3 261,-0.2 3,-0.1 -0.583 32.9-144.0 -67.5 131.6 -8.8 30.9 -8.6 54 54 A G S S+ 0 0 1 -34,-0.7 44,-2.6 -2,-0.3 2,-0.4 0.913 79.7 20.2 -67.5 -45.3 -11.8 28.7 -7.7 55 55 A L E -cd 21 98B 0 -35,-2.0 -33,-3.0 42,-0.2 2,-0.6 -0.993 64.2-164.0-133.1 129.5 -10.0 26.0 -5.8 56 56 A I E -cd 22 99B 0 42,-2.5 44,-2.7 -2,-0.4 2,-0.6 -0.915 7.3-159.0-118.3 107.2 -6.5 26.2 -4.2 57 57 A I E - d 0 100B 1 -35,-1.7 -32,-0.4 -2,-0.6 44,-0.3 -0.748 18.9-131.6 -87.7 117.3 -4.9 23.0 -3.2 58 58 A V E - d 0 101B 0 42,-3.5 44,-1.3 -2,-0.6 3,-0.2 -0.385 35.6 -92.1 -67.0 144.2 -2.2 23.4 -0.6 59 59 A E E - 0 0 0 -34,-0.4 43,-0.7 1,-0.2 -1,-0.1 0.172 64.2 -55.6 -51.1 170.1 1.1 21.7 -1.3 60 60 A A E - d 0 102B 4 41,-0.1 14,-0.6 43,-0.1 2,-0.6 -0.291 58.1-161.5 -53.0 120.2 2.1 18.2 -0.1 61 61 A T E -ed 74 103B 0 41,-3.1 43,-2.5 -3,-0.2 14,-0.2 -0.936 16.3-126.0-114.5 115.7 1.7 18.1 3.6 62 62 A G E -ed 75 104B 2 12,-2.0 14,-1.8 -2,-0.6 15,-0.3 -0.358 10.9-160.4 -63.8 127.3 3.5 15.3 5.5 63 63 A V S S+ 0 0 3 41,-1.9 -1,-0.2 12,-0.2 42,-0.1 0.655 85.0 25.5 -80.8 -17.4 1.2 13.3 7.8 64 64 A T S >> S- 0 0 25 40,-0.3 3,-1.0 1,-0.1 4,-0.5 -0.965 87.3-113.1-138.1 156.6 4.4 12.2 9.6 65 65 A P G >4 S+ 0 0 59 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.936 121.7 43.4 -53.1 -51.2 7.8 13.8 10.0 66 66 A Q G 34 S+ 0 0 58 1,-0.3 51,-0.2 -3,-0.1 46,-0.2 0.553 104.1 70.2 -72.9 -5.9 9.5 11.1 8.0 67 67 A G G <4 S+ 0 0 2 -3,-1.0 39,-3.1 39,-0.1 -1,-0.3 0.596 78.8 99.9 -84.8 -13.3 6.6 11.4 5.6 68 68 A R S << S- 0 0 21 -3,-1.5 44,-0.5 -4,-0.5 43,-0.2 -0.314 72.6-138.2 -67.6 155.6 7.8 14.8 4.4 69 69 A I S S- 0 0 10 1,-0.3 42,-2.7 41,-0.2 2,-0.3 0.892 88.2 -2.7 -77.0 -45.5 9.7 15.2 1.2 70 70 A S S > S- 0 0 22 41,-0.2 3,-1.4 40,-0.1 -1,-0.3 -0.911 76.3-105.1-139.1 168.6 12.0 17.6 2.9 71 71 A E T 3 S+ 0 0 67 -2,-0.3 -36,-0.4 1,-0.3 -5,-0.0 0.529 116.6 64.7 -71.9 -4.9 12.4 19.3 6.3 72 72 A R T 3 S+ 0 0 104 -39,-0.1 -42,-2.0 -38,-0.1 -43,-0.3 0.150 82.8 108.5-103.7 17.6 11.0 22.5 4.7 73 73 A D S < S- 0 0 2 -3,-1.4 -38,-0.4 -45,-0.2 2,-0.2 -0.483 78.0 -98.7 -89.0 161.5 7.6 21.0 4.0 74 74 A L E -e 61 0B 0 -14,-0.6 -12,-2.0 -2,-0.2 2,-0.3 -0.529 42.7-156.6 -72.8 147.6 4.3 21.7 5.7 75 75 A G E +e 62 0B 0 -40,-2.9 -12,-0.2 -14,-0.2 -38,-0.1 -0.812 28.6 178.4-124.6 166.9 3.4 19.2 8.3 76 76 A I + 0 0 0 -14,-1.8 76,-0.2 -2,-0.3 -13,-0.1 0.100 52.1 110.5-154.2 22.0 0.1 18.0 9.9 77 77 A W S S+ 0 0 67 -15,-0.3 2,-0.3 75,-0.0 -14,-0.1 0.427 76.4 56.5 -82.4 0.6 1.3 15.3 12.3 78 78 A S S > S- 0 0 32 1,-0.1 3,-1.8 -14,-0.0 4,-0.3 -0.980 77.0-130.8-137.8 146.5 0.5 17.5 15.3 79 79 A D T > S+ 0 0 101 -2,-0.3 3,-0.8 1,-0.3 4,-0.5 0.674 108.0 71.4 -64.1 -16.8 -2.5 19.3 16.7 80 80 A D T 3> S+ 0 0 142 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.696 86.8 63.9 -71.3 -19.6 -0.1 22.2 17.0 81 81 A H H <> S+ 0 0 17 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.698 85.8 76.3 -75.2 -20.0 -0.3 22.5 13.2 82 82 A I H <> S+ 0 0 13 -3,-0.8 4,-3.5 -4,-0.3 5,-0.3 0.923 87.0 55.0 -60.3 -50.9 -4.0 23.4 13.3 83 83 A A H > S+ 0 0 65 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.913 113.0 42.1 -50.6 -51.3 -3.7 27.0 14.4 84 84 A G H X S+ 0 0 19 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.890 116.1 48.7 -64.9 -41.3 -1.3 27.9 11.5 85 85 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.891 109.4 52.5 -66.3 -40.6 -3.3 25.9 9.0 86 86 A R H X S+ 0 0 127 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.887 107.7 52.0 -62.8 -39.8 -6.6 27.5 10.1 87 87 A E H X S+ 0 0 89 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.918 110.4 48.3 -61.7 -43.9 -5.1 31.0 9.7 88 88 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.891 108.2 55.5 -62.6 -40.6 -4.1 30.1 6.2 89 89 A V H X S+ 0 0 8 -4,-2.4 4,-3.0 1,-0.2 3,-0.3 0.925 109.3 46.2 -57.5 -47.0 -7.6 28.7 5.5 90 90 A G H X S+ 0 0 35 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.905 107.4 56.7 -63.5 -43.7 -9.1 32.0 6.5 91 91 A L H < S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.814 117.1 36.6 -56.9 -31.8 -6.7 34.0 4.5 92 92 A V H ><>S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.3 5,-0.8 0.936 114.7 48.7 -87.9 -55.8 -7.7 32.0 1.4 93 93 A K H ><5S+ 0 0 90 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.696 93.8 82.9 -60.0 -17.6 -11.5 31.5 1.9 94 94 A E T 3<5S+ 0 0 143 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.1 0.767 92.3 46.2 -56.1 -27.8 -11.7 35.2 2.6 95 95 A H T < 5S- 0 0 65 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.239 124.9 -95.1-106.6 11.7 -11.8 35.9 -1.2 96 96 A G T < 5S+ 0 0 51 -3,-1.8 2,-0.4 1,-0.3 -79,-0.4 0.441 83.9 130.4 91.2 0.3 -14.4 33.3 -2.2 97 97 A A < - 0 0 2 -5,-0.8 -1,-0.3 -81,-0.1 -42,-0.2 -0.712 56.2-129.5 -87.2 135.6 -11.8 30.7 -3.1 98 98 A A E -d 55 0B 7 -44,-2.6 -42,-2.5 -2,-0.4 2,-0.4 -0.554 24.1-142.8 -76.5 149.5 -12.3 27.2 -1.8 99 99 A I E -d 56 0B 0 -44,-0.2 60,-2.7 -2,-0.2 61,-1.5 -0.965 19.1-179.8-123.5 131.7 -9.2 25.7 -0.1 100 100 A G E -df 57 160B 0 -44,-2.7 -42,-3.5 -2,-0.4 2,-0.4 -0.786 13.5-146.4-119.0 166.1 -7.9 22.1 -0.2 101 101 A I E -df 58 161B 0 59,-1.7 61,-2.6 -2,-0.3 2,-0.9 -0.995 12.7-133.8-134.2 143.0 -4.9 20.4 1.2 102 102 A Q E -df 60 162B 5 -44,-1.3 -41,-3.1 -43,-0.7 2,-0.4 -0.815 16.6-150.8 -99.4 100.8 -2.8 17.5 -0.1 103 103 A L E +df 61 163B 0 59,-2.0 61,-2.5 -2,-0.9 2,-0.3 -0.575 32.4 177.4 -68.8 122.8 -2.2 14.9 2.6 104 104 A A E -d 62 0B 5 -43,-2.5 -41,-1.9 -2,-0.4 -40,-0.3 -0.880 35.2-171.6-135.2 158.0 1.1 13.3 1.6 105 105 A H - 0 0 2 59,-0.3 65,-1.9 -2,-0.3 66,-0.4 -0.898 14.7-155.1-147.9 121.4 3.8 10.8 2.5 106 106 A A > - 0 0 1 -39,-3.1 3,-2.0 -2,-0.3 -39,-0.1 0.704 25.8-179.4 -72.1 -22.0 7.1 10.7 0.6 107 107 A G G > S- 0 0 0 1,-0.3 3,-1.7 62,-0.2 10,-0.2 -0.320 70.0 -4.5 57.6-132.0 7.9 7.1 1.3 108 108 A R G 3 S+ 0 0 5 1,-0.3 16,-0.5 60,-0.2 -1,-0.3 0.518 133.3 63.2 -72.8 -4.3 11.2 6.0 -0.3 109 109 A K G < S+ 0 0 41 -3,-2.0 -1,-0.3 59,-0.1 -2,-0.2 0.286 74.6 123.0-102.2 8.6 11.5 9.3 -2.0 110 110 A S < - 0 0 4 -3,-1.7 -41,-0.2 7,-0.2 -40,-0.1 -0.470 42.7-168.7 -68.9 140.0 11.7 11.2 1.3 111 111 A Q + 0 0 157 -42,-2.7 -41,-0.2 -43,-0.2 -40,-0.2 0.298 46.2 119.8-113.6 6.1 14.9 13.3 1.7 112 112 A V S S- 0 0 9 -44,-0.5 -42,-0.1 -46,-0.2 -2,-0.0 -0.568 76.2 -99.4 -73.6 133.3 14.5 14.1 5.4 113 113 A P S S+ 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.202 86.8 37.8 -53.4 140.3 17.5 12.8 7.4 114 114 A G S S- 0 0 66 -3,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.722 103.0 -12.0 116.5-166.8 16.9 9.5 9.2 115 115 A E - 0 0 105 -2,-0.2 2,-0.4 16,-0.0 -3,-0.1 -0.499 56.3-162.7 -72.9 134.7 15.0 6.3 8.4 116 116 A I - 0 0 9 14,-0.3 16,-2.9 -2,-0.2 2,-0.3 -0.926 9.1-143.9-116.6 148.1 12.7 6.3 5.4 117 117 A I E +k 132 0C 6 -2,-0.4 -7,-0.2 14,-0.2 16,-0.2 -0.743 23.3 157.5-115.7 158.7 9.9 3.7 4.9 118 118 A A E -k 133 0C 1 14,-1.9 16,-2.3 -2,-0.3 3,-0.1 -0.971 53.8 -94.6-165.1 167.3 8.4 1.9 1.9 119 119 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 61,-0.1 0.912 109.9 14.9 -57.8 -43.6 6.5 -1.2 0.9 120 120 A S S S- 0 0 5 59,-0.4 2,-2.6 2,-0.2 62,-0.0 -0.919 86.6-102.7-133.0 157.9 9.8 -3.0 0.0 121 121 A A S S+ 0 0 53 -2,-0.3 12,-0.1 9,-0.1 11,-0.1 -0.327 77.2 125.7 -76.8 59.4 13.5 -2.4 0.7 122 122 A V - 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0 0 33 -3,-1.8 4,-2.6 -62,-0.1 -63,-0.2 -0.051 69.4 -67.2 -80.3-172.1 5.5 8.5 -3.2 170 170 A L H > S+ 0 0 0 -65,-1.9 4,-1.2 1,-0.2 5,-0.1 0.861 132.5 39.4 -47.0 -59.5 4.5 6.1 -0.5 171 171 A I H >> S+ 0 0 1 -7,-0.5 4,-1.8 -66,-0.4 3,-0.8 0.923 116.2 52.2 -59.3 -45.6 1.0 5.1 -1.6 172 172 A N H 3> S+ 0 0 0 -6,-0.3 4,-2.3 -8,-0.3 -1,-0.2 0.864 103.6 59.7 -55.8 -36.9 2.1 5.1 -5.2 173 173 A E H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.2 6,-0.2 0.800 105.7 47.4 -64.6 -30.2 4.9 2.7 -4.1 174 174 A F H << S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.861 111.6 51.0 -75.1 -37.9 2.4 0.2 -2.9 175 175 A L H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.1 0.881 99.9 71.7 -67.5 -41.0 0.3 0.5 -6.1 176 176 A S >X - 0 0 0 -4,-2.3 4,-2.2 -5,-0.1 3,-1.0 -0.647 67.9-149.6 -87.7 131.6 3.2 -0.1 -8.5 177 177 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.630 95.2 72.7 -68.0 -15.7 4.8 -3.6 -8.8 178 178 A L T 34 S+ 0 0 35 1,-0.2 3,-0.1 44,-0.1 -5,-0.1 0.828 116.0 18.6 -66.4 -32.8 8.1 -1.8 -9.6 179 179 A S T <4 S+ 0 0 1 -3,-1.0 2,-0.8 -6,-0.2 -59,-0.4 0.611 114.3 76.2-112.9 -21.4 8.4 -0.7 -6.0 180 180 A N < + 0 0 2 -4,-2.2 8,-0.3 1,-0.1 -1,-0.1 -0.816 40.5 153.5-100.7 101.4 6.1 -3.2 -4.3 181 181 A R + 0 0 154 -2,-0.8 -1,-0.1 6,-0.1 6,-0.1 0.154 29.1 139.8-108.4 15.5 7.7 -6.6 -4.0 182 182 A R - 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