==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-SEP-10 3OR5 . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN, THIOREDOXIN . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM; . AUTHOR A.BAGARIA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 145 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 12.4 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 0 0 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 28 A A 0 0 156 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.0 -1.6 39.6 74.6 2 29 A D - 0 0 128 2,-0.0 2,-0.7 0, 0.0 0, 0.0 -0.878 360.0-140.6-124.8 145.7 -2.7 39.2 71.0 3 30 A A - 0 0 95 -2,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.710 23.9-164.4-103.4 87.3 -3.3 36.5 68.4 4 31 A R - 0 0 185 -2,-0.7 -2,-0.0 1,-0.1 0, 0.0 -0.432 11.2-145.3 -75.7 102.3 -1.9 37.8 65.2 5 32 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 119,-0.1 -0.280 3.9-142.8 -74.1 165.9 -3.1 35.6 62.3 6 33 A T - 0 0 60 117,-0.1 117,-3.3 97,-0.0 -2,-0.0 -0.764 22.0-146.5-126.5 82.8 -1.0 34.9 59.3 7 34 A P B -A 122 0A 89 0, 0.0 115,-0.2 0, 0.0 114,-0.1 -0.095 19.4-114.5 -58.4 138.8 -3.4 35.0 56.2 8 35 A A - 0 0 26 113,-2.1 2,-0.1 1,-0.1 92,-0.1 -0.454 34.6-107.9 -69.2 154.3 -2.5 32.6 53.5 9 36 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.342 25.0-114.3 -79.4 161.4 -1.6 34.1 50.1 10 37 A S + 0 0 110 -2,-0.1 2,-0.3 12,-0.0 12,-0.0 -0.794 45.7 159.5 -89.9 138.2 -3.7 34.0 47.0 11 38 A F + 0 0 13 -2,-0.4 12,-2.6 2,-0.0 2,-0.3 -0.988 10.4 167.2-158.9 158.6 -2.2 32.1 44.2 12 39 A S E +B 22 0B 70 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.958 9.6 129.3-160.6 165.2 -3.4 30.4 41.0 13 40 A G E -B 21 0B 31 8,-2.7 8,-2.3 -2,-0.3 2,-0.4 -0.995 53.4 -59.6 169.6-158.7 -2.2 28.8 37.8 14 41 A V E -B 20 0B 107 -2,-0.3 77,-0.4 6,-0.2 2,-0.1 -0.941 50.5-126.1-117.4 135.0 -2.4 25.8 35.4 15 42 A T > - 0 0 9 4,-3.1 3,-2.4 -2,-0.4 75,-0.3 -0.328 24.8-106.3 -79.4 162.7 -1.4 22.4 36.6 16 43 A V T 3 S+ 0 0 16 73,-2.8 74,-0.1 1,-0.3 61,-0.1 0.852 122.6 52.8 -55.6 -33.8 1.3 20.1 35.0 17 44 A D T 3 S- 0 0 50 72,-0.4 -1,-0.3 2,-0.1 73,-0.1 0.173 125.6-100.8 -93.6 19.6 -1.6 17.9 33.8 18 45 A G S < S+ 0 0 59 -3,-2.4 -2,-0.1 1,-0.2 -4,-0.0 0.942 77.6 129.5 74.8 44.8 -3.4 20.8 32.2 19 46 A K - 0 0 119 -4,-0.1 -4,-3.1 2,-0.0 -1,-0.2 -0.940 59.0-106.0-126.8 156.8 -6.2 21.7 34.7 20 47 A P E -B 14 0B 121 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.562 33.5-171.0 -81.2 143.6 -7.0 25.0 36.3 21 48 A F E +B 13 0B 14 -8,-2.3 -8,-2.7 -2,-0.2 2,-0.4 -0.984 10.0 170.3-134.6 130.2 -6.1 25.8 39.8 22 49 A S E > -B 12 0B 52 -2,-0.4 3,-2.0 -10,-0.2 -10,-0.2 -0.995 34.9-140.0-133.5 137.7 -7.1 28.8 42.0 23 50 A S G > S+ 0 0 18 -12,-2.6 3,-2.2 -2,-0.4 -11,-0.1 0.728 100.6 77.4 -62.2 -21.7 -6.6 29.2 45.8 24 51 A A G > S+ 0 0 77 1,-0.3 3,-1.3 -13,-0.2 -1,-0.3 0.808 84.4 63.0 -55.4 -27.8 -10.1 30.7 45.7 25 52 A S G < S+ 0 0 69 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.618 93.7 64.1 -70.4 -15.6 -11.2 27.1 45.5 26 53 A L G X + 0 0 7 -3,-2.2 3,-2.4 -4,-0.2 -1,-0.3 0.292 66.0 138.4 -95.7 8.7 -9.7 26.5 48.9 27 54 A K T < S+ 0 0 193 -3,-1.3 3,-0.1 1,-0.3 92,-0.1 -0.361 81.7 5.5 -56.8 125.6 -11.9 28.9 50.9 28 55 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 91,-0.2 -1,-0.3 0.452 109.0 112.9 80.5 1.7 -12.8 27.1 54.2 29 56 A K < - 0 0 82 -3,-2.4 -1,-0.3 89,-0.1 2,-0.2 -0.818 65.4-130.9-103.7 143.5 -10.6 24.2 53.5 30 57 A A E +c 62 0C 0 31,-2.4 33,-1.3 -2,-0.3 2,-0.3 -0.643 38.3 171.4 -81.9 150.2 -7.4 23.1 55.3 31 58 A Y E -cD 63 117C 12 86,-2.4 86,-3.1 -2,-0.2 2,-0.5 -0.990 30.2-141.1-156.2 160.4 -4.6 22.5 52.8 32 59 A I E -cD 64 116C 1 31,-1.6 33,-2.4 -2,-0.3 2,-0.6 -0.994 13.4-151.0-126.1 125.6 -0.8 21.8 52.7 33 60 A V E -cD 65 115C 0 82,-2.2 82,-2.4 -2,-0.5 2,-0.6 -0.870 15.9-161.9-100.4 121.7 1.3 23.4 50.0 34 61 A N E -cD 66 114C 0 31,-3.1 33,-3.0 -2,-0.6 2,-0.6 -0.913 9.7-158.9-113.6 113.1 4.3 21.1 49.3 35 62 A F E +cD 67 113C 0 78,-3.1 78,-1.6 -2,-0.6 2,-0.3 -0.824 39.2 147.4 -89.6 122.7 7.4 22.5 47.5 36 63 A F E -c 68 0C 1 31,-2.2 33,-2.5 -2,-0.6 2,-0.3 -0.936 44.3-140.2-148.4 167.3 9.1 19.4 46.1 37 64 A A > - 0 0 0 -2,-0.3 3,-1.0 31,-0.2 6,-0.2 -0.989 18.4-139.2-134.3 145.5 11.1 17.9 43.4 38 65 A T T 3 S+ 0 0 2 -2,-0.3 -1,-0.1 1,-0.2 33,-0.0 0.699 104.6 56.7 -76.0 -16.8 10.5 14.4 42.0 39 66 A W T 3 S+ 0 0 137 4,-0.0 -1,-0.2 5,-0.0 32,-0.0 0.543 84.9 97.0 -82.4 -9.7 14.3 13.7 41.9 40 67 A C S <> S- 0 0 10 -3,-1.0 4,-2.1 1,-0.1 3,-0.5 -0.649 70.4-144.5 -88.3 115.8 14.7 14.5 45.6 41 68 A P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.893 96.8 52.1 -56.7 -40.8 14.7 11.2 47.6 42 69 A P H > S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.863 110.9 50.7 -61.7 -32.5 12.9 12.5 50.7 43 70 A C H > S+ 0 0 0 -3,-0.5 4,-3.0 2,-0.2 -5,-0.1 0.907 107.8 51.6 -64.9 -39.0 10.2 13.8 48.4 44 71 A R H < S+ 0 0 121 -4,-2.1 -1,-0.2 1,-0.2 -6,-0.1 0.820 111.0 50.4 -67.9 -25.6 10.0 10.4 46.7 45 72 A S H < S+ 0 0 87 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.897 118.3 35.6 -76.0 -38.4 9.6 8.9 50.1 46 73 A E H >X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 3,-0.5 0.796 98.4 73.4 -91.4 -30.3 6.8 11.1 51.3 47 74 A I H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.888 95.0 54.1 -59.4 -38.2 4.7 11.8 48.2 48 75 A P H 3> S+ 0 0 48 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.874 110.0 48.1 -61.7 -31.6 3.1 8.3 48.2 49 76 A D H <> S+ 0 0 49 -3,-0.5 4,-2.3 -4,-0.5 -2,-0.2 0.879 109.9 52.9 -71.8 -39.0 2.1 8.8 51.9 50 77 A X H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.893 107.2 52.2 -58.8 -43.7 0.7 12.3 50.9 51 78 A V H X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.914 110.3 48.2 -63.8 -42.4 -1.3 10.6 48.1 52 79 A Q H X S+ 0 0 87 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.915 111.6 48.7 -62.9 -43.0 -2.8 8.1 50.6 53 80 A V H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.899 107.6 56.1 -61.5 -40.0 -3.7 10.9 53.0 54 81 A Q H X S+ 0 0 12 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.904 105.1 53.0 -54.9 -44.2 -5.3 12.8 50.1 55 82 A K H < S+ 0 0 119 -4,-1.9 4,-0.3 1,-0.2 3,-0.2 0.906 108.6 49.6 -64.6 -37.7 -7.6 9.8 49.5 56 83 A T H < S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 125.7 24.8 -62.3 -39.2 -8.7 9.7 53.1 57 84 A W H ><>S+ 0 0 14 -4,-1.9 3,-2.4 1,-0.1 5,-1.1 0.364 82.2 110.1-114.3 3.0 -9.6 13.4 53.3 58 85 A A T 3<5S+ 0 0 51 -4,-1.6 3,-0.3 1,-0.3 -1,-0.1 0.753 92.9 34.4 -57.4 -33.2 -10.4 14.6 49.7 59 86 A S T 3 5S+ 0 0 125 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.073 105.8 75.3-107.6 22.5 -14.1 15.0 50.4 60 87 A R T < 5S- 0 0 147 -3,-2.4 -2,-0.2 2,-0.3 -1,-0.2 0.048 119.7 -83.2-125.6 26.8 -13.6 16.1 54.1 61 88 A G T 5S+ 0 0 24 -3,-0.3 -31,-2.4 1,-0.3 2,-0.3 0.722 95.2 99.8 91.9 20.0 -12.4 19.7 53.5 62 89 A F E < +c 30 0C 3 -5,-1.1 2,-0.3 -33,-0.2 -2,-0.3 -0.982 36.6 170.0-138.2 147.5 -8.7 19.2 52.9 63 90 A T E -c 31 0C 15 -33,-1.3 -31,-1.6 -2,-0.3 2,-0.2 -0.978 26.1-132.7-149.3 148.9 -6.3 19.0 49.9 64 91 A F E -c 32 0C 0 -2,-0.3 2,-0.4 -33,-0.2 -31,-0.2 -0.627 19.0-161.0 -79.4 156.8 -2.5 18.9 49.3 65 92 A V E -c 33 0C 0 -33,-2.4 -31,-3.1 -2,-0.2 2,-0.4 -0.974 7.6-152.5-135.2 129.0 -1.2 21.2 46.6 66 93 A G E -ce 34 89C 0 22,-3.3 24,-2.5 -2,-0.4 2,-0.5 -0.830 9.9-169.4-103.3 141.1 2.2 20.5 45.1 67 94 A I E -ce 35 90C 0 -33,-3.0 -31,-2.2 -2,-0.4 2,-0.6 -0.978 19.2-144.2-126.3 116.1 4.6 23.1 43.6 68 95 A A E -ce 36 91C 2 22,-2.8 24,-3.0 -2,-0.5 3,-0.3 -0.734 18.8-170.2 -92.3 120.3 7.5 21.4 41.7 69 96 A V + 0 0 9 -33,-2.5 -31,-0.1 -2,-0.6 3,-0.1 -0.706 65.6 13.3-105.6 153.9 10.8 23.3 42.0 70 97 A N S S+ 0 0 137 -2,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.844 105.6 129.5 53.4 37.1 14.1 22.7 40.2 71 98 A E - 0 0 30 -3,-0.3 2,-0.4 21,-0.1 -1,-0.2 -0.538 58.2-130.2-124.4 173.4 12.1 20.5 37.8 72 99 A Q > - 0 0 134 -2,-0.2 4,-2.4 -3,-0.1 3,-0.4 -0.996 26.0-125.0-125.1 139.3 11.2 19.7 34.2 73 100 A L H > S+ 0 0 91 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.900 107.3 48.0 -51.2 -49.9 7.6 19.3 32.9 74 101 A P H > S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.873 112.7 50.3 -64.7 -30.1 7.9 15.8 31.3 75 102 A N H > S+ 0 0 75 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.951 113.9 42.9 -70.1 -44.9 9.6 14.5 34.5 76 103 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.926 113.6 52.0 -68.8 -42.3 6.9 15.9 36.9 77 104 A K H X S+ 0 0 98 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.933 111.9 47.1 -61.1 -41.4 4.0 14.8 34.5 78 105 A N H X S+ 0 0 82 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.911 109.4 52.4 -67.8 -35.8 5.4 11.3 34.4 79 106 A Y H X S+ 0 0 8 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.916 107.0 54.0 -63.1 -40.4 5.9 11.1 38.2 80 107 A X H X>S+ 0 0 12 -4,-2.4 5,-2.1 1,-0.2 4,-0.7 0.879 111.7 45.4 -58.8 -41.5 2.3 12.1 38.6 81 108 A K H <5S+ 0 0 144 -4,-1.7 3,-0.5 3,-0.2 -2,-0.2 0.944 115.2 45.5 -68.3 -49.9 1.2 9.2 36.4 82 109 A T H <5S+ 0 0 76 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.899 122.5 35.4 -64.0 -34.5 3.5 6.6 38.1 83 110 A Q H <5S- 0 0 68 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.510 105.4-124.4 -97.9 -4.1 2.6 7.6 41.6 84 111 A G T <5 - 0 0 34 -4,-0.7 2,-0.5 -3,-0.5 -3,-0.2 0.946 31.6-165.9 59.1 49.8 -1.0 8.4 40.9 85 112 A I < + 0 0 14 -5,-2.1 -1,-0.2 -6,-0.2 4,-0.1 -0.600 11.9 179.2 -74.1 120.9 -0.9 11.9 42.3 86 113 A I + 0 0 88 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.0 0.135 51.7 79.9-112.9 11.6 -4.4 13.0 42.6 87 114 A Y S S- 0 0 7 -24,-0.1 -22,-0.1 1,-0.0 2,-0.1 -0.826 94.5 -77.5-113.9 164.2 -4.0 16.5 44.1 88 115 A P - 0 0 35 0, 0.0 -22,-3.3 0, 0.0 2,-0.4 -0.347 47.1-174.3 -65.1 136.4 -3.2 19.7 42.1 89 116 A V E -e 66 0C 0 -24,-0.2 -73,-2.8 -4,-0.1 -72,-0.4 -0.996 2.4-176.7-133.8 130.1 0.4 20.1 41.1 90 117 A X E -e 67 0C 2 -24,-2.5 -22,-2.8 -2,-0.4 2,-0.3 -0.919 32.1-111.3-118.6 146.1 1.9 23.2 39.4 91 118 A X E -e 68 0C 52 -77,-0.4 -22,-0.2 -2,-0.3 -77,-0.1 -0.565 50.1-101.1 -66.6 139.0 5.4 23.9 38.1 92 119 A A - 0 0 31 -24,-3.0 -1,-0.1 -2,-0.3 -21,-0.1 -0.283 39.6-172.3 -63.9 148.1 7.0 26.6 40.3 93 120 A T > - 0 0 55 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.883 39.6-107.6-126.9 160.3 7.1 30.1 39.0 94 121 A P H > S+ 0 0 87 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.905 121.7 54.4 -58.3 -32.5 8.9 33.0 40.7 95 122 A E H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -3,-0.1 0.861 106.6 49.1 -65.1 -38.9 5.6 34.3 41.8 96 123 A L H > S+ 0 0 4 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.906 113.3 47.9 -69.7 -38.6 4.5 31.1 43.5 97 124 A I H >X S+ 0 0 52 -4,-2.2 4,-1.9 1,-0.2 3,-1.2 0.958 111.4 49.2 -67.9 -42.4 7.8 30.9 45.3 98 125 A R H 3X S+ 0 0 166 -4,-2.9 4,-0.7 1,-0.3 -1,-0.2 0.798 100.4 67.0 -69.9 -26.6 7.6 34.5 46.5 99 126 A A H 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.818 118.0 22.6 -56.7 -34.7 4.0 33.9 47.7 100 127 A F H X< S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.7 4,-0.2 0.546 99.4 88.4-108.2 -17.6 5.4 31.5 50.4 101 128 A N H >< S+ 0 0 50 -4,-1.9 3,-1.4 1,-0.3 6,-0.3 0.785 80.1 65.8 -53.8 -36.1 9.0 32.6 50.9 102 129 A G T 3< S+ 0 0 77 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.598 89.1 66.4 -65.0 -17.7 8.0 35.2 53.5 103 130 A Y T < S+ 0 0 67 -3,-1.8 2,-0.4 1,-0.1 -1,-0.2 0.526 99.8 52.9 -85.4 -2.7 6.9 32.6 56.0 104 131 A I S X S- 0 0 41 -3,-1.4 3,-2.2 -4,-0.2 2,-0.2 -0.992 88.9-113.1-135.8 133.9 10.3 31.1 56.5 105 132 A D T 3 S+ 0 0 166 -2,-0.4 -3,-0.1 1,-0.3 -2,-0.1 -0.469 108.4 17.3 -63.2 134.3 13.6 32.9 57.5 106 133 A G T 3 S- 0 0 64 -2,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.286 116.7-108.4 87.9 -11.5 16.0 32.7 54.6 107 134 A G < - 0 0 11 -3,-2.2 2,-0.7 -6,-0.3 -6,-0.1 -0.288 67.8 -26.0 77.1-173.5 13.0 31.8 52.3 108 135 A I S S+ 0 0 32 1,-0.2 -7,-0.1 -11,-0.1 -2,-0.1 -0.677 73.0 147.6 -78.6 111.6 12.6 28.3 50.8 109 136 A T + 0 0 124 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.267 55.7 47.4-129.3 -0.6 16.1 26.7 50.7 110 137 A G S S- 0 0 37 -75,-0.0 -75,-0.1 -74,-0.0 -1,-0.1 -0.955 81.7-100.3-135.3 156.2 15.5 23.0 51.3 111 138 A I S S+ 0 0 40 -2,-0.3 -75,-0.1 1,-0.2 2,-0.1 -0.991 94.5 34.9-128.5 149.3 13.1 20.5 49.8 112 139 A P S S+ 0 0 17 0, 0.0 2,-0.4 0, 0.0 -76,-0.2 0.553 73.6 160.7 -79.2 149.7 10.6 19.3 50.7 113 140 A T E -D 35 0C 2 -78,-1.6 -78,-3.1 -2,-0.1 2,-0.3 -0.987 14.6-175.9-128.4 131.8 9.3 22.4 52.5 114 141 A S E -DF 34 127C 1 13,-2.6 13,-2.9 -2,-0.4 2,-0.4 -0.911 17.2-145.1-131.4 155.8 5.6 22.5 53.1 115 142 A F E -DF 33 126C 0 -82,-2.4 -82,-2.2 -2,-0.3 2,-0.6 -0.963 11.9-143.7-121.6 131.7 3.2 25.1 54.6 116 143 A V E -DF 32 125C 15 9,-2.9 8,-2.7 -2,-0.4 9,-1.1 -0.876 15.1-171.8-100.1 119.6 0.1 24.1 56.7 117 144 A I E -DF 31 123C 0 -86,-3.1 -86,-2.4 -2,-0.6 6,-0.2 -0.941 16.1-143.6-110.9 122.3 -3.0 26.3 56.1 118 145 A D > - 0 0 27 4,-2.7 3,-2.3 -2,-0.5 26,-0.2 -0.289 31.0 -97.2 -87.5 175.2 -5.7 25.7 58.5 119 146 A A T 3 S+ 0 0 30 24,-2.2 -91,-0.2 1,-0.3 25,-0.1 0.655 122.5 66.3 -69.6 -14.0 -9.5 25.8 57.7 120 147 A S T 3 S- 0 0 99 23,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.482 118.1-111.8 -69.5 -16.9 -9.4 29.4 59.2 121 148 A G S < S+ 0 0 31 -3,-2.3 -113,-2.1 1,-0.3 2,-0.3 0.534 76.2 128.1 93.3 14.5 -7.3 30.4 56.2 122 149 A N B -A 7 0A 44 -115,-0.2 -4,-2.7 -117,-0.0 2,-0.8 -0.781 66.1-119.3-103.9 147.0 -4.1 31.0 58.4 123 150 A V E +F 117 0C 14 -117,-3.3 -6,-0.2 -2,-0.3 -117,-0.1 -0.698 38.0 174.3 -79.9 115.9 -0.7 29.6 57.8 124 151 A S E - 0 0 78 -8,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.708 52.6 -6.5 -97.3 -26.4 -0.2 27.7 61.1 125 152 A G E -F 116 0C 28 -9,-1.1 -9,-2.9 2,-0.0 2,-0.4 -0.996 52.6-126.9-167.3 163.5 3.1 26.0 60.6 126 153 A V E -F 115 0C 55 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.987 16.5-151.4-124.0 133.2 6.0 25.0 58.3 127 154 A I E +F 114 0C 9 -13,-2.9 -13,-2.6 -2,-0.4 4,-0.1 -0.887 31.1 152.3-106.6 117.6 7.2 21.5 57.7 128 155 A V + 0 0 93 -2,-0.6 -1,-0.1 -15,-0.2 -15,-0.1 0.061 61.5 64.4-127.4 22.7 10.9 21.2 56.9 129 156 A G S S- 0 0 25 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.946 96.0 -78.4-139.3 160.4 11.4 17.7 58.3 130 157 A P - 0 0 112 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.265 41.9-162.5 -67.4 152.5 10.0 14.3 57.3 131 158 A R - 0 0 84 -4,-0.1 2,-0.1 4,-0.0 -4,-0.0 -0.995 12.0-130.5-133.9 138.1 6.5 13.3 58.3 132 159 A S > - 0 0 49 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.280 29.9-106.1 -75.0 164.3 4.9 9.9 58.4 133 160 A K H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.956 125.4 48.1 -53.4 -48.9 1.6 9.0 57.0 134 161 A A H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 109.8 53.4 -64.1 -35.4 0.1 8.9 60.4 135 162 A D H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 109.7 47.9 -65.0 -43.7 1.7 12.3 61.2 136 163 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.906 109.5 54.0 -65.0 -41.4 0.1 13.9 58.1 137 164 A D H X S+ 0 0 51 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.946 111.0 44.2 -55.7 -42.7 -3.2 12.4 59.1 138 165 A R H X S+ 0 0 166 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.880 111.2 54.7 -68.6 -37.1 -3.1 13.9 62.5 139 166 A I H X S+ 0 0 41 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.942 108.6 48.6 -62.8 -43.6 -1.9 17.3 61.1 140 167 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.940 110.3 51.2 -62.2 -45.9 -4.9 17.3 58.7 141 168 A K H X S+ 0 0 113 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.918 114.7 44.0 -54.6 -45.9 -7.3 16.5 61.7 142 169 A X H >< S+ 0 0 126 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.890 111.8 51.7 -68.3 -42.9 -5.8 19.3 63.7 143 170 A A H 3< S+ 0 0 17 -4,-3.0 -24,-2.2 1,-0.2 -23,-0.3 0.816 104.1 57.3 -62.5 -30.9 -5.8 21.8 60.8 144 171 A L H 3< 0 0 49 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.748 360.0 360.0 -74.7 -21.2 -9.5 21.1 60.1 145 172 A G << 0 0 101 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.249 360.0 360.0 118.9 360.0 -10.3 22.1 63.7