==== 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 OXIDOREDUCTASE 14-JUN-07 2V3A . COMPND 2 MOLECULE: RUBREDOXIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.HAGELUEKEN,L.WIEHLMANN,T.M.ADAMS,H.KOLMAR,D.W.HEINZ,B.TUEM . 381 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 1 0.3 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 . 35 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 0 1 0 0 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 4 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 . 3 1 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 2 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 4 A R 0 0 258 0, 0.0 99,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.1 88.0 33.3 46.0 2 5 A A - 0 0 53 97,-0.1 2,-0.2 1,-0.1 97,-0.1 -0.314 360.0-128.7 -51.1 127.5 86.6 35.8 43.4 3 6 A P - 0 0 29 0, 0.0 97,-2.8 0, 0.0 98,-0.8 -0.511 5.9-115.1 -88.1 152.1 87.2 33.9 40.0 4 7 A L E -ab 29 101A 0 24,-2.3 26,-2.6 96,-0.2 2,-0.5 -0.681 39.5-154.3 -67.6 131.1 88.8 34.6 36.7 5 8 A V E -ab 30 102A 0 96,-2.3 98,-2.5 -2,-0.4 2,-0.5 -0.984 12.4-171.1-120.2 122.6 85.9 34.4 34.3 6 9 A I E -ab 31 103A 0 24,-2.8 26,-2.5 -2,-0.5 2,-0.9 -0.962 11.3-154.1-111.8 119.5 86.4 33.6 30.7 7 10 A I E +ab 32 104A 12 96,-2.9 98,-2.3 -2,-0.5 26,-0.2 -0.850 67.8 37.2 -93.9 109.2 83.6 33.9 28.1 8 11 A G - 0 0 9 24,-2.9 25,-0.2 -2,-0.9 98,-0.1 0.070 52.7-151.7 122.6 130.0 84.4 31.5 25.3 9 12 A T + 0 0 4 4,-0.2 24,-0.1 22,-0.1 -1,-0.1 -0.190 62.4 110.9-119.6 35.8 85.8 28.0 24.9 10 13 A G S > S- 0 0 34 95,-0.4 4,-2.3 29,-0.1 5,-0.3 -0.095 96.7 -68.5 -80.4-161.9 87.3 28.4 21.4 11 14 A L H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.861 135.5 52.1 -59.8 -34.4 91.0 28.6 20.8 12 15 A A H > S+ 0 0 8 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.970 113.1 41.2 -68.8 -54.0 91.3 32.0 22.6 13 16 A G H > S+ 0 0 0 92,-0.4 4,-2.8 1,-0.2 5,-0.2 0.955 119.8 43.4 -57.4 -54.5 89.5 31.0 25.8 14 17 A Y H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.875 115.2 48.3 -67.5 -36.6 91.1 27.5 26.1 15 18 A N H X S+ 0 0 26 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.868 112.6 48.5 -73.2 -32.4 94.6 28.8 25.2 16 19 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.962 112.5 49.2 -66.1 -48.3 94.4 31.6 27.6 17 20 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.926 114.1 45.6 -52.0 -47.7 93.2 29.3 30.4 18 21 A R H X S+ 0 0 86 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.930 115.1 45.4 -66.2 -46.5 96.0 26.8 29.6 19 22 A E H < S+ 0 0 27 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.876 115.8 47.7 -64.3 -40.9 98.8 29.5 29.5 20 23 A W H >X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 3,-1.5 0.842 104.0 60.0 -69.2 -35.1 97.4 31.2 32.7 21 24 A R H 3< S+ 0 0 36 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.751 95.4 63.4 -69.3 -19.3 97.1 27.9 34.6 22 25 A K T 3< S+ 0 0 138 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.724 114.2 34.3 -65.1 -22.2 100.9 27.4 34.1 23 26 A L T <4 S+ 0 0 77 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.740 128.4 27.6-107.1 -29.2 101.2 30.6 36.2 24 27 A D < + 0 0 30 -4,-2.1 -1,-0.3 1,-0.1 -2,-0.1 -0.899 51.8 165.5-142.8 105.9 98.4 30.4 38.7 25 28 A G S S+ 0 0 48 -2,-0.4 -4,-0.1 -3,-0.2 -1,-0.1 0.328 74.9 55.2-101.8 7.6 97.0 27.0 39.9 26 29 A E S S+ 0 0 184 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.803 77.1 91.2-113.8 -35.4 95.0 28.3 42.9 27 30 A T S S- 0 0 28 1,-0.1 -3,-0.1 -24,-0.0 -25,-0.1 -0.349 85.1-104.3 -60.2 135.0 92.6 31.1 41.8 28 31 A P - 0 0 48 0, 0.0 -24,-2.3 0, 0.0 2,-0.4 -0.304 35.4-153.7 -58.5 148.3 89.2 29.8 40.8 29 32 A L E -a 4 0A 6 42,-0.4 44,-2.4 -26,-0.2 2,-0.5 -0.997 12.7-175.3-132.9 127.4 88.4 29.6 37.1 30 33 A L E -ac 5 73A 23 -26,-2.6 -24,-2.8 -2,-0.4 2,-0.4 -0.993 3.0-171.6-123.1 123.0 85.0 29.8 35.5 31 34 A M E -ac 6 74A 0 42,-2.9 44,-3.2 -2,-0.5 2,-0.4 -0.942 4.2-165.1-111.2 138.7 84.6 29.4 31.7 32 35 A I E +ac 7 75A 0 -26,-2.5 -24,-2.9 -2,-0.4 2,-0.3 -0.980 10.8 172.4-121.8 135.4 81.2 30.1 30.0 33 36 A T - 0 0 8 42,-2.6 45,-2.9 -2,-0.4 -2,-0.0 -0.999 33.5-148.2-145.5 142.4 80.3 29.0 26.5 34 37 A A S S+ 0 0 41 -2,-0.3 45,-0.1 43,-0.3 -1,-0.1 0.666 87.0 61.7 -79.1 -18.6 77.1 29.0 24.4 35 38 A D S S- 0 0 23 43,-0.1 42,-2.7 42,-0.1 43,-0.3 -0.181 110.9 -77.6 -96.7-165.5 78.2 25.8 22.6 36 39 A D - 0 0 35 40,-0.2 40,-0.1 41,-0.1 -2,-0.0 0.535 57.3-122.3 -76.7 -2.0 78.9 22.3 23.9 37 40 A G + 0 0 0 1,-0.2 -1,-0.1 25,-0.1 29,-0.1 0.474 56.2 152.7 77.4 1.1 82.3 23.2 25.3 38 41 A R - 0 0 33 24,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.381 46.1-125.1 -62.6 138.8 84.3 20.7 23.2 39 42 A S E +F 61 0B 17 22,-2.7 21,-4.4 -2,-0.1 22,-1.4 -0.769 48.4 147.7 -84.7 123.8 87.9 21.5 22.4 40 43 A Y E -F 59 0B 13 -2,-0.5 2,-1.0 19,-0.3 19,-0.2 -0.967 53.7-108.1-151.2 157.9 88.5 21.4 18.6 41 44 A S > - 0 0 33 17,-0.7 3,-2.5 -2,-0.3 4,-0.3 -0.823 26.8-159.8 -96.0 100.5 90.7 23.2 16.1 42 45 A K G > S+ 0 0 66 -2,-1.0 3,-2.1 1,-0.3 4,-0.4 0.818 86.2 68.2 -49.4 -39.4 88.3 25.4 14.2 43 46 A P G > S+ 0 0 50 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.794 92.9 64.1 -50.7 -24.5 90.7 25.8 11.2 44 47 A M G X S+ 0 0 58 -3,-2.5 3,-2.2 1,-0.2 4,-0.5 0.676 77.1 84.5 -77.9 -15.7 90.0 22.1 10.6 45 48 A L G X S+ 0 0 4 -3,-2.1 3,-0.7 -4,-0.3 -1,-0.2 0.813 88.5 53.6 -51.0 -34.9 86.3 22.6 9.9 46 49 A S G < S+ 0 0 9 -3,-0.9 -1,-0.3 -4,-0.4 114,-0.2 0.192 107.0 50.7 -93.1 17.5 87.2 23.4 6.3 47 50 A T G <> S+ 0 0 16 -3,-2.2 4,-2.4 2,-0.1 5,-0.2 0.346 72.5 113.0-125.5 2.7 89.2 20.2 5.8 48 51 A G T <4>S+ 0 0 0 -3,-0.7 5,-3.5 -4,-0.5 4,-0.4 0.845 83.2 39.2 -45.8 -50.2 86.6 17.6 7.1 49 52 A F T >45S+ 0 0 29 3,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.938 115.6 49.4 -68.2 -46.9 86.0 16.0 3.7 50 53 A S T 345S+ 0 0 54 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.797 118.6 41.4 -63.7 -26.2 89.6 16.0 2.4 51 54 A K T 3<5S- 0 0 124 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.456 111.5-121.6 -97.0 -2.9 90.7 14.5 5.8 52 55 A N T < 5 + 0 0 151 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.941 64.6 140.0 59.4 52.7 87.7 12.1 5.9 53 56 A K < - 0 0 79 -5,-3.5 -1,-0.2 -6,-0.1 2,-0.1 -0.985 40.1-158.6-130.7 134.8 86.4 13.5 9.3 54 57 A D > - 0 0 89 -2,-0.4 4,-1.0 -5,-0.0 79,-0.1 -0.375 49.6 -82.0 -92.3-174.2 83.1 14.4 10.8 55 58 A A H >> S+ 0 0 7 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.877 131.6 46.8 -60.0 -45.3 82.5 16.8 13.8 56 59 A D H >4 S+ 0 0 101 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.861 105.9 60.3 -61.0 -40.3 83.4 14.3 16.4 57 60 A G H 34 S+ 0 0 36 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.733 107.3 48.1 -59.5 -24.6 86.5 13.3 14.4 58 61 A L H << S+ 0 0 5 -4,-1.0 -17,-0.7 -3,-0.7 -1,-0.2 0.649 88.0 98.9 -89.3 -21.8 87.6 16.9 14.8 59 62 A A E << -F 40 0B 24 -4,-0.9 -19,-0.3 -3,-0.6 3,-0.1 -0.427 49.1-170.1 -69.1 142.3 87.0 17.3 18.6 60 63 A M E + 0 0 122 -21,-4.4 2,-0.3 1,-0.4 -20,-0.2 0.746 68.7 0.4 -99.7 -32.1 90.1 16.9 20.8 61 64 A A E -F 39 0B 29 -22,-1.4 -22,-2.7 -24,-0.0 -1,-0.4 -0.984 67.4-119.5-154.4 149.3 88.5 16.8 24.2 62 65 A E > - 0 0 100 -2,-0.3 4,-2.1 -24,-0.2 3,-0.4 -0.482 39.1-104.6 -80.9 160.4 85.1 16.9 25.8 63 66 A P H > S+ 0 0 29 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.852 117.9 55.8 -59.9 -40.7 84.2 19.8 28.3 64 67 A G H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.893 109.2 46.8 -56.2 -45.1 84.4 17.5 31.4 65 68 A A H > S+ 0 0 56 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.893 112.3 51.1 -64.2 -39.9 88.0 16.5 30.5 66 69 A M H X S+ 0 0 26 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.935 107.7 51.9 -59.7 -47.1 88.8 20.2 29.8 67 70 A A H <>S+ 0 0 23 -4,-2.7 5,-2.4 1,-0.2 4,-0.5 0.848 112.7 46.8 -57.5 -40.7 87.4 21.3 33.3 68 71 A E H ><5S+ 0 0 169 -4,-1.7 3,-0.7 3,-0.2 -1,-0.2 0.925 112.3 48.5 -68.8 -44.8 89.6 18.7 34.9 69 72 A Q H 3<5S+ 0 0 164 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 121.1 36.3 -64.7 -37.8 92.7 19.6 33.0 70 73 A L T 3<5S- 0 0 8 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.378 104.1-124.0 -94.7 2.6 92.3 23.3 33.7 71 74 A N T < 5 + 0 0 106 -3,-0.7 -42,-0.4 -4,-0.5 2,-0.3 0.948 69.3 135.5 47.0 54.7 90.9 23.0 37.3 72 75 A A < - 0 0 16 -5,-2.4 2,-0.5 -6,-0.1 -42,-0.2 -0.832 63.4-125.9-126.7 156.2 87.9 25.0 36.1 73 76 A R E -c 30 0A 173 -44,-2.4 -42,-2.9 -2,-0.3 2,-0.5 -0.948 32.4-163.8 -97.2 131.6 84.2 25.0 36.2 74 77 A I E -c 31 0A 22 -2,-0.5 2,-0.6 -44,-0.2 -42,-0.2 -0.977 8.1-157.1-121.3 123.6 82.9 25.2 32.6 75 78 A L E -c 32 0A 34 -44,-3.2 -42,-2.6 -2,-0.5 3,-0.4 -0.900 16.8-163.1-102.1 124.5 79.3 26.1 31.9 76 79 A T + 0 0 54 -2,-0.6 -40,-0.2 1,-0.2 -42,-0.2 -0.680 66.2 15.0-109.3 160.8 78.1 24.8 28.5 77 80 A H S S+ 0 0 120 -42,-2.7 2,-0.5 -2,-0.2 -43,-0.3 0.870 94.8 139.1 40.4 44.2 75.1 25.8 26.3 78 81 A T - 0 0 32 -45,-2.9 2,-0.6 -3,-0.4 -1,-0.2 -0.968 43.4-152.3-123.2 119.9 75.1 28.8 28.6 79 82 A R - 0 0 182 -2,-0.5 2,-0.4 -45,-0.1 14,-0.3 -0.829 6.7-144.5-103.5 118.7 74.5 32.3 27.1 80 83 A V - 0 0 15 -2,-0.6 12,-0.3 12,-0.2 3,-0.1 -0.696 17.0-176.0 -75.7 129.5 75.9 35.5 28.6 81 84 A T - 0 0 73 10,-2.5 2,-0.3 -2,-0.4 11,-0.2 0.408 57.1 -2.4-112.5 -3.2 73.3 38.2 28.1 82 85 A G E -G 91 0C 11 9,-1.1 9,-2.6 2,-0.0 2,-0.4 -0.949 53.1-131.3-176.7 162.2 75.1 41.3 29.5 83 86 A I E -G 90 0C 13 161,-0.4 7,-0.2 -2,-0.3 5,-0.0 -0.989 9.3-165.2-125.0 137.0 78.1 42.8 31.2 84 87 A D E > > +G 89 0C 26 5,-3.2 5,-1.8 -2,-0.4 3,-1.3 -0.800 11.5 175.3-121.2 81.7 77.9 45.1 34.3 85 88 A P G > 5S+ 0 0 13 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.862 75.4 60.9 -61.5 -36.4 81.4 46.7 34.5 86 89 A G G 3 5S+ 0 0 65 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.707 115.2 34.8 -64.4 -20.9 80.5 49.1 37.4 87 90 A H G < 5S- 0 0 102 -3,-1.3 -1,-0.3 2,-0.2 3,-0.1 0.192 106.7-119.6-116.5 16.1 79.7 46.0 39.6 88 91 A Q T < 5S+ 0 0 86 -3,-1.5 11,-2.3 -4,-0.2 2,-0.3 0.906 75.9 112.8 44.8 50.4 82.3 43.5 38.3 89 92 A R E < -GH 84 98C 40 -5,-1.8 -5,-3.2 9,-0.2 2,-0.3 -0.985 53.3-147.4-145.6 161.4 79.6 41.1 37.2 90 93 A I E -GH 83 97C 0 7,-2.5 7,-2.3 -2,-0.3 2,-0.4 -0.878 19.5-125.8-123.0 159.8 78.0 39.5 34.1 91 94 A W E -GH 82 96C 80 -9,-2.6 -10,-2.5 -2,-0.3 -9,-1.1 -0.840 18.8-179.1-108.3 139.4 74.4 38.4 33.4 92 95 A I E > S- H 0 95C 33 3,-3.0 3,-2.0 -2,-0.4 2,-0.5 -0.890 73.9 -60.4-129.6 98.9 73.1 35.1 32.3 93 96 A G T 3 S- 0 0 53 -2,-0.4 -12,-0.0 1,-0.3 -13,-0.0 -0.497 121.0 -18.2 62.8-114.7 69.3 35.5 31.9 94 97 A E T 3 S+ 0 0 192 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.3 -0.006 122.9 90.6-111.5 23.4 68.3 36.5 35.5 95 98 A E E < -H 92 0C 140 -3,-2.0 -3,-3.0 2,-0.0 2,-0.3 -0.917 60.5-150.2-119.7 149.2 71.5 35.2 37.1 96 99 A E E -H 91 0C 78 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.846 5.2-160.3-115.4 152.5 74.6 37.1 37.8 97 100 A V E -H 90 0C 28 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.3 -0.985 13.0-148.4-130.3 124.0 78.3 36.0 38.1 98 101 A R E -H 89 0C 128 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.642 19.3-162.0 -87.1 144.3 80.8 38.2 39.9 99 102 A Y - 0 0 6 -11,-2.3 -95,-0.2 -2,-0.3 3,-0.2 -0.923 34.0-150.4-129.2 152.4 84.4 38.2 38.7 100 103 A R S S- 0 0 67 -97,-2.8 2,-0.3 1,-0.5 -96,-0.2 0.876 99.5 -7.7 -72.5 -52.4 87.9 39.1 39.8 101 104 A D E S-b 4 0A 15 -98,-0.8 -96,-2.3 -3,-0.1 -1,-0.5 -0.973 73.2-141.4-141.3 153.9 88.7 39.8 36.1 102 105 A L E -bd 5 269A 0 166,-2.9 168,-2.7 -2,-0.3 2,-0.5 -0.955 7.8-160.7-121.6 133.9 86.7 39.2 33.0 103 106 A V E -bd 6 270A 0 -98,-2.5 -96,-2.9 -2,-0.4 2,-0.8 -0.973 8.2-151.7-119.7 119.9 88.0 37.9 29.7 104 107 A L E +bd 7 271A 0 166,-2.8 168,-2.1 -2,-0.5 -96,-0.1 -0.834 35.0 149.6 -89.1 105.0 86.0 38.4 26.5 105 108 A A + 0 0 10 -98,-2.3 -95,-0.4 -2,-0.8 -92,-0.4 -0.253 25.1 128.9-125.1 42.1 87.0 35.6 24.2 106 109 A W - 0 0 31 1,-0.2 -98,-0.1 135,-0.1 167,-0.1 0.247 51.2-150.5 -97.3 11.9 83.6 35.3 22.5 107 110 A G - 0 0 15 165,-0.4 134,-2.4 -3,-0.1 2,-0.3 0.005 24.7 -49.3 69.0-158.6 84.7 35.5 18.8 108 111 A A E -I 240 0D 1 132,-0.3 167,-0.1 19,-0.1 166,-0.1 -0.766 41.2-130.7-122.6 157.3 83.0 36.7 15.6 109 112 A E E -I 239 0D 70 130,-3.4 130,-2.6 -2,-0.3 3,-0.0 -0.857 32.2 -98.6-110.4 147.0 79.6 36.3 14.0 110 113 A P E -I 238 0D 38 0, 0.0 2,-0.4 0, 0.0 128,-0.3 -0.369 39.5-115.5 -57.0 139.6 78.8 35.3 10.4 111 114 A I - 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0 0 88 -3,-2.1 -1,-0.3 1,-0.1 3,-0.1 -0.473 40.2-174.2 -96.1 170.5 73.0 15.3 -1.1 143 146 A R + 0 0 137 1,-0.2 24,-3.2 -2,-0.1 2,-0.6 0.656 57.9 65.6-133.8 -36.6 74.9 16.6 -4.2 144 147 A R E -n 167 0F 86 22,-0.2 86,-3.1 24,-0.0 87,-1.4 -0.891 53.4-179.7-110.7 119.5 74.4 20.3 -5.0 145 148 A V E -no 168 231F 1 22,-2.7 24,-1.8 -2,-0.6 2,-0.5 -0.962 13.5-158.7-119.7 128.6 75.6 23.0 -2.7 146 149 A L E -no 169 232F 0 85,-2.2 87,-3.0 -2,-0.4 2,-0.5 -0.923 14.8-160.8-101.3 133.1 75.3 26.7 -3.2 147 150 A L E -no 170 233F 0 22,-3.2 24,-2.8 -2,-0.5 2,-0.5 -0.964 7.8-150.1-120.3 129.8 77.8 28.8 -1.2 148 151 A L E +no 171 234F 6 85,-3.0 87,-2.7 -2,-0.5 24,-0.2 -0.889 63.2 38.7 -96.2 126.8 77.5 32.5 -0.4 149 152 A G - 0 0 5 22,-2.4 22,-0.2 -2,-0.5 87,-0.2 -0.173 53.0-146.6 115.1 149.5 80.7 34.4 -0.1 150 153 A A + 0 0 3 86,-0.4 28,-3.2 -2,-0.1 86,-0.1 0.022 60.5 109.6-138.7 25.0 84.1 34.4 -1.8 151 154 A G S > S- 0 0 22 84,-0.5 4,-2.5 26,-0.2 5,-0.2 -0.050 91.2 -71.8 -82.4-165.3 86.5 35.2 1.0 152 155 A L H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 132.9 46.3 -55.9 -49.9 89.0 32.9 2.6 153 156 A I H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.953 113.1 48.6 -65.6 -49.2 86.4 30.8 4.4 154 157 A G H > S+ 0 0 1 81,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.876 112.9 48.4 -55.7 -42.6 84.1 30.5 1.4 155 158 A C H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.912 111.2 49.3 -63.8 -42.6 87.0 29.5 -0.9 156 159 A E H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 115.1 44.5 -65.6 -44.0 88.4 26.8 1.6 157 160 A F H X S+ 0 0 9 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.897 111.0 54.1 -64.1 -44.2 84.8 25.3 2.0 158 161 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.936 113.1 43.4 -53.2 -47.8 84.3 25.5 -1.8 159 162 A N H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 118.0 44.6 -64.0 -45.5 87.5 23.5 -2.3 160 163 A D H X S+ 0 0 7 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.927 111.8 50.4 -70.9 -46.8 86.8 21.0 0.5 161 164 A L H <>S+ 0 0 3 -4,-3.3 5,-2.2 1,-0.2 -1,-0.2 0.896 111.6 50.9 -54.7 -42.9 83.1 20.4 -0.4 162 165 A S H ><5S+ 0 0 18 -4,-2.0 3,-2.2 -5,-0.3 -2,-0.2 0.921 107.5 50.5 -60.7 -47.1 84.2 19.7 -4.0 163 166 A S H 3<5S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 104.4 61.5 -65.1 -24.3 86.9 17.2 -3.0 164 167 A G T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.429 128.6 -98.2 -76.8 -0.4 84.1 15.6 -0.9 165 168 A G T < 5S+ 0 0 47 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.452 79.0 136.9 98.0 1.4 82.1 15.0 -4.1 166 169 A Y < - 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