==== 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 DNA BINDING PROTEIN 10-JAN-06 2FMY . COMPND 2 MOLECULE: CARBON MONOXIDE OXIDATION SYSTEM TRANSCRIPTION RE . SOURCE 2 ORGANISM_SCIENTIFIC: CARBOXYDOTHERMUS HYDROGENOFORMANS; . AUTHOR Y.HIGUCHI,H.KOMORI . 872 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 197 22.6 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 . 48 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 2 1 3 3 0 4 0 0 4 0 0 0 0 4 0 0 0 0 0 0 2 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 4 10 10 4 7 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 . 0 0 12 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 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 A 0 0 65 0, 0.0 2,-0.4 0, 0.0 747,-0.1 0.000 360.0 360.0 360.0 141.2 -8.6 28.5 55.4 2 3 A T > - 0 0 23 1,-0.1 3,-0.9 0, 0.0 116,-0.0 -0.974 360.0-152.8-126.4 135.4 -8.0 29.3 51.7 3 4 A Q T 3 S+ 0 0 153 -2,-0.4 -1,-0.1 1,-0.2 115,-0.0 0.425 89.1 79.9 -82.3 0.8 -9.2 27.6 48.5 4 5 A M T 3 + 0 0 63 114,-0.1 -1,-0.2 2,-0.0 117,-0.1 0.535 69.5 117.2 -79.4 -10.2 -6.1 28.9 46.6 5 6 A R < - 0 0 94 -3,-0.9 110,-0.1 1,-0.1 3,-0.1 -0.279 45.2-172.9 -66.5 142.2 -3.9 26.2 48.2 6 7 A L S S+ 0 0 64 108,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.307 75.7 44.5-110.8 0.9 -2.2 23.6 46.0 7 8 A T - 0 0 55 107,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.982 62.3-148.4-143.6 155.8 -1.1 21.6 49.1 8 9 A D S S+ 0 0 152 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.549 75.5 85.9 -95.3 -14.8 -2.5 20.5 52.4 9 10 A T S S- 0 0 60 1,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.686 79.4-115.9 -99.5 145.1 0.8 20.7 54.4 10 11 A N >> - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.547 14.2-132.3 -79.8 140.1 2.1 23.8 56.1 11 12 A L H 3> S+ 0 0 7 1,-0.2 4,-2.2 -2,-0.2 -1,-0.1 0.839 108.5 58.7 -57.8 -34.6 5.4 25.3 54.9 12 13 A L H 34 S+ 0 0 40 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.852 106.6 48.2 -64.3 -35.1 6.6 25.4 58.5 13 14 A E H X4 S+ 0 0 127 -3,-0.6 3,-1.8 2,-0.2 4,-0.4 0.953 110.8 49.5 -66.8 -52.0 6.1 21.6 58.8 14 15 A V H >< S+ 0 0 28 -4,-2.1 3,-1.6 1,-0.3 6,-0.3 0.840 102.4 62.8 -55.4 -37.8 8.0 21.0 55.5 15 16 A L T 3< S+ 0 0 9 -4,-2.2 9,-0.3 1,-0.3 -1,-0.3 0.654 100.0 55.6 -63.5 -17.3 10.9 23.2 56.8 16 17 A N T < S+ 0 0 118 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.543 88.1 102.8 -88.3 -12.6 11.4 20.7 59.6 17 18 A S S X S- 0 0 45 -3,-1.6 3,-0.9 -4,-0.4 -3,-0.0 -0.310 82.5-114.6 -74.3 158.7 11.8 17.7 57.2 18 19 A E G > S+ 0 0 159 1,-0.2 3,-2.0 2,-0.2 -1,-0.1 0.854 113.0 60.2 -57.7 -41.9 15.2 16.1 56.4 19 20 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.2 -5,-0.1 -4,-0.1 0.753 106.4 49.4 -61.0 -25.8 15.1 17.1 52.7 20 21 A Y G X> S+ 0 0 10 -3,-0.9 3,-1.5 -6,-0.3 4,-0.5 0.088 78.9 144.0-101.9 18.2 14.9 20.8 53.8 21 22 A S T <4 + 0 0 76 -3,-2.0 -5,-0.1 1,-0.2 -3,-0.1 -0.308 68.3 21.0 -58.1 142.5 17.8 20.6 56.3 22 23 A G T 34 S+ 0 0 44 1,-0.1 4,-0.3 0, 0.0 -1,-0.2 0.095 96.8 96.7 87.7 -22.9 19.9 23.9 56.3 23 24 A V T X4 S+ 0 0 1 -3,-1.5 3,-1.7 1,-0.2 4,-0.2 0.921 77.0 56.6 -67.6 -44.0 17.1 26.1 54.8 24 25 A L G >< S+ 0 0 69 -4,-0.5 3,-2.3 -9,-0.3 -1,-0.2 0.886 98.7 59.6 -56.8 -44.1 15.8 27.5 58.1 25 26 A K G 3 S+ 0 0 185 1,-0.3 -1,-0.3 3,-0.0 -2,-0.2 0.559 90.2 71.9 -68.1 -6.6 19.2 28.9 59.3 26 27 A E G < S+ 0 0 83 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.565 93.6 70.9 -78.8 -10.2 19.3 31.1 56.1 27 28 A F S < S- 0 0 13 -3,-2.3 2,-0.3 -4,-0.2 70,-0.2 -0.817 70.3-150.2-107.0 145.9 16.5 33.1 57.9 28 29 A R E -A 96 0A 167 68,-2.7 68,-2.8 -2,-0.3 2,-0.4 -0.777 21.6-120.4-105.0 159.7 16.8 35.4 60.9 29 30 A E E +A 95 0A 97 -2,-0.3 2,-0.3 66,-0.2 66,-0.2 -0.807 26.4 179.1-102.0 140.3 13.9 36.0 63.3 30 31 A Q E -A 94 0A 81 64,-2.2 64,-2.7 -2,-0.4 2,-0.3 -0.993 15.1-147.7-137.2 135.9 12.2 39.3 64.2 31 32 A R E -A 93 0A 199 -2,-0.3 2,-0.4 62,-0.2 62,-0.2 -0.754 12.4-168.2 -97.7 147.3 9.3 39.9 66.6 32 33 A Y E -A 92 0A 31 60,-2.9 60,-2.8 -2,-0.3 2,-0.1 -0.995 17.6-126.8-134.7 140.6 6.7 42.6 66.1 33 34 A S > - 0 0 70 -2,-0.4 3,-2.0 58,-0.2 55,-0.3 -0.414 47.6 -74.1 -79.0 160.2 4.0 43.9 68.5 34 35 A K T 3 S+ 0 0 98 1,-0.3 55,-0.2 55,-0.1 -1,-0.1 -0.324 120.6 13.6 -54.6 129.7 0.3 44.0 67.7 35 36 A K T 3 S+ 0 0 71 53,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.362 91.6 141.9 80.8 -1.0 -0.4 46.9 65.2 36 37 A A < - 0 0 30 -3,-2.0 52,-2.8 52,-0.1 2,-0.7 -0.467 55.2-122.0 -71.3 139.4 3.3 47.5 64.4 37 38 A I E -D 87 0B 77 779,-0.3 50,-0.3 50,-0.2 3,-0.1 -0.759 26.1-174.7 -80.3 116.0 4.2 48.4 60.8 38 39 A L E - 0 0 14 48,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.964 66.9 -1.0 -72.1 -55.9 6.6 45.7 59.5 39 40 A Y E -D 86 0B 18 47,-1.2 47,-2.2 4,-0.0 -1,-0.3 -0.997 57.7-146.0-143.6 139.6 7.4 47.3 56.1 40 41 A T > - 0 0 73 -2,-0.3 3,-0.8 45,-0.2 42,-0.2 -0.463 60.7 -58.6 -87.1 168.4 6.4 50.4 54.1 41 42 A P T 3 S- 0 0 42 0, 0.0 42,-0.2 0, 0.0 -1,-0.1 -0.355 117.7 -11.1 -52.1 123.4 6.1 50.1 50.3 42 43 A N T 3 S- 0 0 62 40,-1.7 39,-0.2 42,-0.2 41,-0.1 0.887 86.5-156.2 56.4 54.4 9.5 49.1 48.7 43 44 A T < - 0 0 37 37,-0.8 -1,-0.1 -3,-0.8 37,-0.0 0.045 30.4 -99.3 -56.0 166.0 11.7 49.4 51.8 44 45 A E S S+ 0 0 205 2,-0.1 2,-0.3 37,-0.0 -1,-0.1 0.946 110.2 62.9 -53.7 -50.1 15.5 50.0 51.5 45 46 A R S S- 0 0 116 1,-0.1 2,-0.9 53,-0.0 -2,-0.2 -0.615 78.6-143.2 -82.7 132.1 16.1 46.3 52.2 46 47 A N + 0 0 59 -2,-0.3 53,-2.5 -4,-0.1 2,-0.3 -0.817 38.5 165.2 -96.3 100.2 14.8 43.8 49.7 47 48 A L E -B 98 0A 9 -2,-0.9 33,-1.9 51,-0.2 2,-0.4 -0.799 35.9-147.9-120.7 152.3 13.7 40.8 51.8 48 49 A V E -BC 97 79A 7 49,-2.8 49,-2.7 -2,-0.3 2,-0.3 -0.971 28.6-173.5-113.2 136.7 11.6 37.7 51.7 49 50 A F E -BC 96 78A 0 29,-2.6 29,-2.2 -2,-0.4 2,-0.4 -0.922 20.4-151.4-133.7 157.7 9.9 36.7 54.9 50 51 A L E -BC 95 77A 0 45,-2.7 45,-2.9 -2,-0.3 2,-0.6 -0.988 26.0-123.9-125.0 132.4 7.8 33.8 56.3 51 52 A V E +B 94 0A 0 25,-2.2 24,-3.3 -2,-0.4 43,-0.2 -0.719 28.3 178.6 -75.3 117.5 5.3 34.3 59.1 52 53 A K E - 0 0 93 41,-2.8 2,-0.3 -2,-0.6 42,-0.2 0.849 70.0 -8.6 -84.8 -43.1 6.3 31.9 61.9 53 54 A S E S+B 93 0A 49 40,-1.9 40,-2.4 -3,-0.1 -1,-0.4 -0.988 107.8 32.0-154.0 151.6 3.5 33.0 64.2 54 55 A G S S- 0 0 14 -2,-0.3 20,-0.6 38,-0.2 2,-0.3 -0.651 80.4 -78.2 101.4-162.0 0.8 35.7 64.3 55 56 A R E -E 73 0B 37 35,-0.3 34,-3.0 -2,-0.2 35,-0.8 -0.993 33.7-158.7-147.5 139.1 -1.0 37.3 61.5 56 57 A V E -EF 72 88B 0 16,-2.5 16,-3.6 -2,-0.3 2,-0.5 -0.971 9.5-142.5-128.8 129.4 0.0 40.0 59.1 57 58 A R E -EF 71 87B 33 30,-3.2 30,-2.5 -2,-0.4 2,-0.5 -0.813 7.3-160.0 -94.3 126.4 -2.1 42.4 57.0 58 59 A V E +EF 70 86B 0 12,-3.0 11,-3.4 -2,-0.5 12,-1.7 -0.937 31.4 155.7-101.3 124.2 -1.0 43.4 53.5 59 60 A Y E -EF 68 85B 10 26,-2.3 26,-3.1 -2,-0.5 2,-0.4 -0.977 44.8-121.5-150.1 158.4 -2.8 46.6 52.5 60 61 A L E -E 67 0B 5 7,-2.7 7,-2.6 -2,-0.3 2,-0.4 -0.865 32.5-155.2 -99.0 138.2 -2.8 49.7 50.3 61 62 A A E +E 66 0B 32 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.972 18.5 168.4-124.2 129.6 -3.0 53.0 52.1 62 63 A Y - 0 0 27 3,-2.9 -2,-0.0 -2,-0.4 292,-0.0 -0.765 49.6-103.7-123.2 170.6 -4.3 56.3 51.0 63 64 A E S S+ 0 0 162 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.857 121.7 38.7 -65.9 -33.7 -5.1 59.5 53.0 64 65 A D S S- 0 0 167 1,-0.2 2,-0.2 -3,-0.0 -1,-0.2 0.933 127.4 -13.9 -80.1 -52.2 -8.8 58.8 52.8 65 66 A K - 0 0 144 2,-0.0 -3,-2.9 0, 0.0 2,-0.3 -0.831 53.9-121.5-145.8 177.5 -8.9 54.9 53.2 66 67 A E E -E 61 0B 79 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.932 12.6-150.8-123.6 150.0 -7.1 51.6 53.2 67 68 A F E -E 60 0B 40 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.3 -0.959 15.8-141.1-121.9 111.1 -7.7 48.5 51.0 68 69 A T E +E 59 0B 62 -2,-0.5 -9,-0.3 -9,-0.2 3,-0.1 -0.551 20.1 179.6 -67.5 126.3 -6.8 45.2 52.6 69 70 A L E - 0 0 3 -11,-3.4 57,-0.3 1,-0.4 2,-0.3 0.761 60.9 -17.9 -97.9 -32.8 -5.1 42.8 50.1 70 71 A A E -E 58 0B 6 -12,-1.7 -12,-3.0 56,-0.1 2,-0.5 -0.961 46.6-131.6-167.8 152.3 -4.5 39.7 52.2 71 72 A I E -E 57 0B 53 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.980 29.9-151.2-106.6 120.5 -4.1 38.4 55.7 72 73 A L E -E 56 0B 2 -16,-3.6 -16,-2.5 -2,-0.5 2,-0.2 -0.813 15.7-170.9 -94.4 135.8 -0.9 36.3 56.0 73 74 A E E > -E 55 0B 60 -2,-0.4 3,-2.5 -18,-0.2 -22,-0.4 -0.659 42.0 -51.7-119.9 172.3 -0.9 33.5 58.5 74 75 A A T 3 S+ 0 0 39 -20,-0.6 -22,-0.2 1,-0.3 -1,-0.2 -0.183 127.6 24.9 -46.6 126.4 1.7 31.1 59.9 75 76 A G T 3 S+ 0 0 1 -24,-3.3 2,-0.3 1,-0.3 -1,-0.3 0.286 92.7 128.3 99.2 -8.2 3.5 29.5 57.0 76 77 A D < - 0 0 9 -3,-2.5 -25,-2.2 -25,-0.2 2,-0.3 -0.640 47.2-144.1 -88.0 140.9 2.8 32.3 54.5 77 78 A I E +C 50 0A 6 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.757 28.0 151.9 -99.0 139.9 5.5 33.9 52.4 78 79 A F E -C 49 0A 13 -29,-2.2 -29,-2.6 -2,-0.3 2,-0.3 -0.885 24.3-137.7-148.8-172.5 5.7 37.6 51.4 79 80 A C E -C 48 0A 16 -2,-0.3 3,-0.2 -31,-0.2 -31,-0.2 -0.848 20.5-122.2-143.6 176.7 8.3 40.2 50.5 80 81 A T S S+ 0 0 3 -33,-1.9 -37,-0.8 -2,-0.3 -38,-0.1 0.226 89.8 83.1-108.0 11.2 9.3 43.8 51.0 81 82 A H + 0 0 73 -34,-0.3 2,-0.2 -39,-0.2 -1,-0.2 -0.016 69.8 95.7-111.3 32.8 9.4 44.9 47.3 82 83 A T S S- 0 0 28 -3,-0.2 -40,-1.7 2,-0.2 -39,-0.1 -0.734 82.7-112.7-113.6 165.8 5.7 45.7 46.7 83 84 A R S S+ 0 0 21 -2,-0.2 2,-0.2 -42,-0.2 -3,-0.0 0.244 85.4 99.6 -81.0 15.1 3.7 48.9 46.8 84 85 A A S S- 0 0 2 -44,-0.2 2,-0.2 -24,-0.1 -42,-0.2 -0.654 71.3-122.3-103.7 156.0 1.8 47.7 49.9 85 86 A F E - F 0 59B 56 -26,-3.1 -26,-2.3 -2,-0.2 2,-0.4 -0.619 22.2-148.9 -86.3 154.5 2.1 48.4 53.6 86 87 A I E +DF 39 58B 2 -47,-2.2 -48,-2.7 -2,-0.2 -47,-1.2 -0.978 18.9 177.4-133.6 117.4 2.6 45.4 56.0 87 88 A Q E -DF 37 57B 23 -30,-2.5 -30,-3.2 -2,-0.4 2,-0.5 -0.947 31.4-120.1-126.8 141.8 1.2 45.5 59.5 88 89 A A E - F 0 56B 0 -52,-2.8 -53,-2.9 -2,-0.4 -32,-0.2 -0.685 16.7-166.2 -78.0 122.0 1.1 42.9 62.4 89 90 A M S S- 0 0 49 -34,-3.0 2,-0.3 -2,-0.5 -33,-0.2 0.630 77.9 -2.5 -83.0 -14.7 -2.5 42.2 63.4 90 91 A E S S- 0 0 41 -35,-0.8 -35,-0.3 -57,-0.1 -55,-0.1 -0.918 113.6 -45.9-158.6 174.4 -1.2 40.6 66.6 91 92 A D S S- 0 0 91 -2,-0.3 2,-0.3 -57,-0.1 -58,-0.2 -0.343 73.0-170.6 -53.6 121.0 2.1 39.8 68.2 92 93 A T E -A 32 0A 2 -60,-2.8 -60,-2.9 -38,-0.2 2,-0.4 -0.903 26.4-160.0-127.9 144.2 4.0 38.3 65.2 93 94 A T E -AB 31 53A 14 -40,-2.4 -41,-2.8 -2,-0.3 -40,-1.9 -0.997 19.0-172.4-121.2 123.8 7.3 36.5 64.7 94 95 A I E -AB 30 51A 0 -64,-2.7 -64,-2.2 -2,-0.4 2,-0.5 -0.826 20.3-143.5-113.3 156.8 8.7 36.5 61.1 95 96 A L E -AB 29 50A 12 -45,-2.9 -45,-2.7 -2,-0.3 2,-0.3 -0.992 30.6-176.5-113.8 120.3 11.6 34.6 59.5 96 97 A Y E +AB 28 49A 27 -68,-2.8 -68,-2.7 -2,-0.5 2,-0.3 -0.930 14.1 174.4-126.5 146.1 13.4 36.9 57.0 97 98 A T E - B 0 48A 6 -49,-2.7 -49,-2.8 -2,-0.3 -70,-0.1 -0.963 42.2 -90.6-139.8 156.1 16.2 36.5 54.5 98 99 A D E >> - B 0 47A 16 -2,-0.3 4,-1.7 -72,-0.2 3,-1.1 -0.423 38.3-119.0 -61.7 142.3 17.7 38.7 51.8 99 100 A I H 3> S+ 0 0 53 -53,-2.5 4,-1.7 1,-0.2 -1,-0.1 0.761 112.2 64.3 -52.3 -29.7 16.1 38.2 48.4 100 101 A R H 3> S+ 0 0 186 -54,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.827 106.3 42.8 -71.2 -31.8 19.5 37.1 46.9 101 102 A N H <> S+ 0 0 73 -3,-1.1 4,-1.4 2,-0.2 3,-0.5 0.815 110.6 56.2 -73.6 -37.5 19.5 34.1 49.3 102 103 A F H X S+ 0 0 11 -4,-1.7 4,-3.4 1,-0.2 5,-0.3 0.805 93.5 70.1 -67.1 -28.6 15.8 33.3 48.6 103 104 A Q H X S+ 0 0 81 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.902 104.2 40.7 -52.9 -46.5 16.6 33.1 44.9 104 105 A N H X S+ 0 0 103 -4,-0.5 4,-1.1 -3,-0.5 -1,-0.2 0.863 115.6 52.5 -70.2 -38.4 18.5 29.9 45.5 105 106 A I H >X S+ 0 0 2 -4,-1.4 4,-2.5 1,-0.2 3,-0.7 0.964 106.8 50.0 -62.2 -53.0 15.8 28.6 48.0 106 107 A V H 3< S+ 0 0 5 -4,-3.4 7,-0.3 1,-0.2 -1,-0.2 0.814 111.7 49.9 -60.8 -28.7 12.8 29.1 45.7 107 108 A V H 3< S+ 0 0 72 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.778 120.6 31.0 -80.7 -27.5 14.4 27.3 42.8 108 109 A E H << S+ 0 0 140 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.1 0.717 113.1 57.4-104.9 -26.3 15.5 24.1 44.8 109 110 A F >< - 0 0 30 -4,-2.5 3,-1.6 -5,-0.2 4,-0.5 -0.867 66.9-164.4-116.3 95.0 12.9 23.7 47.5 110 111 A P T 3> S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 3,-0.1 0.640 76.2 73.6 -61.0 -24.7 9.4 23.4 45.7 111 112 A A H 3> S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.812 91.1 60.0 -59.6 -31.4 7.2 24.1 48.8 112 113 A F H <> S+ 0 0 0 -3,-1.6 4,-2.0 1,-0.2 3,-0.2 0.948 105.4 44.5 -64.8 -49.3 8.1 27.8 48.7 113 114 A S H > S+ 0 0 2 -4,-0.5 4,-2.0 -7,-0.3 -1,-0.2 0.840 110.1 56.6 -67.4 -30.4 6.8 28.5 45.3 114 115 A L H X S+ 0 0 16 -4,-1.5 4,-1.4 2,-0.2 -108,-0.3 0.877 109.4 45.7 -65.5 -37.4 3.6 26.5 46.0 115 116 A N H X S+ 0 0 16 -4,-1.6 4,-2.4 -3,-0.2 -2,-0.2 0.852 109.4 55.7 -71.0 -36.7 2.9 28.7 49.0 116 117 A M H X S+ 0 0 30 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.890 104.5 53.2 -60.8 -41.4 3.6 31.8 46.9 117 118 A V H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.908 110.6 47.4 -58.3 -47.7 1.0 30.7 44.4 118 119 A K H X S+ 0 0 30 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.925 116.6 43.1 -57.5 -50.9 -1.6 30.4 47.2 119 120 A V H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.951 115.8 46.6 -63.1 -52.1 -0.7 33.8 48.6 120 121 A L H X S+ 0 0 24 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.858 111.2 53.6 -63.0 -36.4 -0.4 35.7 45.3 121 122 A G H X S+ 0 0 9 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.908 109.3 47.8 -60.3 -45.9 -3.7 34.1 44.2 122 123 A D H X S+ 0 0 36 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.875 112.6 48.6 -64.1 -40.5 -5.5 35.4 47.3 123 124 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.882 113.6 47.3 -63.8 -42.4 -4.0 38.9 46.9 124 125 A L H X S+ 0 0 15 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.903 109.7 52.4 -66.6 -43.2 -5.1 39.0 43.2 125 126 A K H X S+ 0 0 69 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.912 113.4 44.3 -57.1 -47.4 -8.6 37.7 44.0 126 127 A N H X S+ 0 0 63 -4,-1.9 4,-1.9 -57,-0.3 -1,-0.2 0.880 112.3 54.2 -63.4 -40.2 -9.0 40.5 46.6 127 128 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.885 106.9 49.0 -60.8 -44.0 -7.4 43.0 44.1 128 129 A L H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.880 110.7 51.4 -66.5 -38.2 -9.9 42.2 41.3 129 130 A T H X S+ 0 0 7 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.890 109.8 50.4 -61.1 -42.1 -12.8 42.6 43.7 130 131 A I H X S+ 0 0 20 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.929 109.8 50.4 -62.3 -46.0 -11.4 46.0 44.7 131 132 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 3,-0.4 0.949 112.6 45.5 -57.0 -52.7 -11.1 47.1 41.1 132 133 A N H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.880 111.2 55.2 -57.3 -40.2 -14.7 46.1 40.4 133 134 A G H < S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.825 111.2 43.6 -62.2 -35.3 -15.7 47.9 43.6 134 135 A L H >< S+ 0 0 29 -4,-1.9 3,-1.1 -3,-0.4 -2,-0.2 0.896 112.9 50.2 -77.7 -44.7 -14.0 51.1 42.5 135 136 A V H 3< S+ 0 0 29 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.864 125.4 29.1 -58.8 -39.1 -15.4 51.0 38.9 136 137 A F T 3X S+ 0 0 24 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 -0.173 77.4 140.2-116.0 39.6 -18.9 50.4 40.2 137 138 A K H <> S+ 0 0 117 -3,-1.1 4,-1.8 1,-0.2 -1,-0.1 0.869 75.8 40.3 -52.5 -48.1 -18.8 52.2 43.6 138 139 A D H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 117.3 46.8 -67.0 -53.0 -22.3 53.7 43.4 139 140 A A H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.851 110.5 54.8 -58.0 -38.6 -24.1 50.7 41.9 140 141 A R H X S+ 0 0 40 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.933 109.2 46.3 -61.4 -49.1 -22.3 48.4 44.4 141 142 A L H X S+ 0 0 65 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.904 114.0 48.3 -59.3 -43.8 -23.6 50.4 47.4 142 143 A R H X S+ 0 0 88 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.864 112.2 49.1 -68.7 -37.0 -27.2 50.6 45.9 143 144 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 110.1 51.2 -65.2 -47.4 -27.2 46.8 45.2 144 145 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 73,-0.2 0.888 110.9 47.8 -56.1 -44.0 -26.0 46.0 48.8 145 146 A E H X S+ 0 0 100 -4,-2.1 4,-2.0 71,-0.2 -1,-0.2 0.871 110.7 52.1 -69.6 -35.2 -28.7 48.2 50.3 146 147 A F H X S+ 0 0 37 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.937 110.7 47.5 -59.4 -48.4 -31.4 46.5 48.1 147 148 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.831 110.5 51.6 -66.0 -34.6 -30.2 43.0 49.2 148 149 A V H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.891 112.6 46.3 -66.7 -42.8 -30.2 44.0 52.9 149 150 A Q H X S+ 0 0 86 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.931 111.5 50.7 -61.9 -50.3 -33.8 45.3 52.5 150 151 A A H X>S+ 0 0 7 -4,-2.8 4,-3.0 1,-0.2 5,-0.7 0.859 108.6 53.3 -55.0 -40.4 -34.8 42.2 50.6 151 152 A A H X5S+ 0 0 12 -4,-2.0 4,-1.3 3,-0.2 -1,-0.2 0.911 111.3 46.2 -59.7 -44.2 -33.3 40.1 53.5 152 153 A M H <5S+ 0 0 139 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.898 120.4 38.7 -64.5 -41.4 -35.4 42.1 56.0 153 154 A D H <5S+ 0 0 114 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.908 137.9 9.0 -76.9 -45.8 -38.6 41.7 53.9 154 155 A T H <5S+ 0 0 50 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.517 85.4 137.1-114.9 -13.7 -38.3 38.2 52.5 155 156 A G << - 0 0 28 -4,-1.3 2,-0.5 -5,-0.7 9,-0.2 -0.137 30.9-168.1 -56.3 125.0 -35.4 36.6 54.3 156 157 A L E -G 163 0C 99 7,-2.0 7,-2.8 0, 0.0 2,-0.2 -0.971 23.8-122.0-113.9 124.8 -36.0 33.0 55.5 157 158 A K E +G 162 0C 159 -2,-0.5 5,-0.2 5,-0.2 3,-0.0 -0.443 39.8 167.1 -63.7 126.9 -33.5 31.5 57.9 158 159 A V E > -G 161 0C 49 3,-2.3 3,-2.0 -2,-0.2 2,-0.1 -0.887 50.2 -70.2-129.1 163.5 -32.0 28.2 56.6 159 160 A P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.405 122.2 5.4 -55.3 130.7 -29.0 26.2 57.8 160 161 A Q T 3 S- 0 0 136 1,-0.1 2,-0.3 -2,-0.1 -3,-0.0 0.443 133.5 -10.3 76.3 3.3 -25.8 28.3 57.0 161 162 A G E < S-G 158 0C 8 -3,-2.0 -3,-2.3 48,-0.1 2,-0.4 -0.921 76.4 -65.9 178.4-154.6 -27.8 31.3 55.8 162 163 A I E -GH 157 207C 38 45,-1.5 45,-3.9 -2,-0.3 2,-0.5 -0.991 33.7-138.4-139.7 123.8 -30.8 33.2 54.7 163 164 A K E -GH 156 206C 59 -7,-2.8 -7,-2.0 -2,-0.4 2,-0.4 -0.764 22.8-160.9 -85.3 128.5 -32.8 32.6 51.5 164 165 A L E - H 0 205C 0 41,-3.3 41,-1.9 -2,-0.5 2,-0.5 -0.896 13.7-158.7-110.2 139.9 -33.8 35.7 49.7 165 166 A E E - 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