==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-FEB-11 3QWB . COMPND 2 MOLECULE: PROBABLE QUINONE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.C.GUO,X.X.MA,Z.Z.BAO,Y.X.CHEN,C.Z.ZHOU . 1320 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 950 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 13.9 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 . 0 0.0 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 . 89 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.7 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 1 1 6 4 8 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 8 8 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 . 6 4 10 0 8 0 8 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 4 0 0 4 0 0 0 0 2 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 5 A I 0 0 125 0, 0.0 25,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 123.5 -4.1 -14.1 79.8 2 6 A P - 0 0 58 0, 0.0 24,-0.1 0, 0.0 3,-0.0 -0.259 360.0-133.1 -74.5 160.1 -1.6 -16.0 82.0 3 7 A E S S+ 0 0 175 22,-0.1 23,-2.1 1,-0.1 2,-0.3 0.745 91.0 38.4 -76.4 -34.3 -0.1 -15.0 85.2 4 8 A Q E +A 25 0A 98 21,-0.3 2,-0.3 19,-0.0 -1,-0.1 -0.878 63.5 175.1-124.4 157.6 3.4 -16.1 84.1 5 9 A Q E -A 24 0A 9 19,-2.5 19,-2.2 -2,-0.3 2,-0.4 -0.928 35.1 -94.5-150.5 165.8 5.4 -16.0 80.9 6 10 A K E +A 23 0A 64 -2,-0.3 91,-1.3 17,-0.2 2,-0.3 -0.769 47.2 164.1 -88.8 133.8 8.8 -16.8 79.4 7 11 A V E -AB 22 96A 0 15,-2.2 15,-2.2 -2,-0.4 2,-0.5 -0.934 39.2-118.7-136.9 163.5 11.3 -13.9 79.2 8 12 A I E +A 21 0A 2 87,-2.4 55,-2.0 -2,-0.3 2,-0.3 -0.944 48.3 158.4 -99.4 128.0 15.0 -13.4 78.7 9 13 A L E -AC 20 62A 2 11,-2.1 11,-2.9 -2,-0.5 2,-0.4 -0.921 35.2-135.3-141.1 165.3 16.5 -11.7 81.8 10 14 A I E -AC 19 61A 0 51,-1.8 51,-2.6 -2,-0.3 9,-0.1 -0.995 7.1-171.0-123.8 136.1 19.8 -11.1 83.6 11 15 A D S S- 0 0 76 7,-0.6 2,-0.3 -2,-0.4 48,-0.1 0.615 76.2 -1.2 -91.8 -18.5 20.2 -11.4 87.4 12 16 A E S S- 0 0 125 6,-0.2 -1,-0.2 49,-0.1 2,-0.2 -0.952 85.4 -80.9-161.0 168.1 23.8 -10.0 87.4 13 17 A I S S+ 0 0 91 -2,-0.3 2,-0.3 39,-0.1 39,-0.2 -0.481 71.3 81.8 -79.6 153.2 26.5 -8.7 85.1 14 18 A G S S- 0 0 29 37,-2.4 39,-0.1 -2,-0.2 -2,-0.0 -0.990 71.7 -35.0 155.5-155.5 28.9 -11.0 83.2 15 19 A G S > S- 0 0 44 -2,-0.3 3,-2.0 37,-0.1 4,-0.3 0.100 82.8 -60.6 -84.8-159.9 29.3 -13.1 80.1 16 20 A Y G > S+ 0 0 82 1,-0.3 3,-1.3 2,-0.2 296,-0.1 0.720 123.5 71.4 -64.7 -19.9 26.8 -15.2 78.2 17 21 A D G 3 S+ 0 0 131 1,-0.2 -1,-0.3 3,-0.0 292,-0.0 0.624 86.9 64.2 -69.8 -15.9 26.1 -17.4 81.1 18 22 A V G < S+ 0 0 15 -3,-2.0 -7,-0.6 -8,-0.1 2,-0.5 0.605 77.5 101.8 -83.2 -9.3 24.2 -14.7 82.9 19 23 A I E < -A 10 0A 4 -3,-1.3 2,-0.4 -4,-0.3 -9,-0.2 -0.646 59.1-168.3 -75.4 122.5 21.6 -14.7 80.2 20 24 A K E -A 9 0A 81 -11,-2.9 -11,-2.1 -2,-0.5 2,-0.7 -0.921 25.1-154.2-120.7 137.9 18.5 -16.6 81.6 21 25 A Y E +A 8 0A 71 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.928 45.8 149.8-107.2 106.4 15.4 -17.9 79.9 22 26 A E E -A 7 0A 74 -15,-2.2 -15,-2.2 -2,-0.7 2,-0.2 -0.905 52.6 -91.1-142.1 159.7 12.9 -18.0 82.8 23 27 A D E +A 6 0A 88 -2,-0.3 -17,-0.2 -17,-0.2 -19,-0.0 -0.536 49.8 166.1 -69.4 141.1 9.4 -17.7 84.0 24 28 A Y E -A 5 0A 85 -19,-2.2 -19,-2.5 -2,-0.2 0, 0.0 -0.971 39.4 -81.1-156.1 153.2 8.4 -14.1 85.0 25 29 A P E -A 4 0A 69 0, 0.0 -21,-0.3 0, 0.0 -22,-0.1 -0.278 36.2-121.5 -64.2 147.5 5.2 -12.3 85.7 26 30 A V - 0 0 22 -23,-2.1 73,-0.1 -24,-0.1 2,-0.1 -0.764 42.0-111.3 -77.6 130.9 2.9 -10.9 82.9 27 31 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.363 21.9-128.6 -69.4 144.4 2.7 -7.2 83.5 28 32 A S - 0 0 100 -2,-0.1 2,-0.3 72,-0.0 72,-0.1 -0.623 26.6-136.4 -83.0 152.3 -0.6 -5.6 84.7 29 33 A I - 0 0 50 -2,-0.2 2,-0.1 4,-0.1 6,-0.1 -0.832 4.4-135.6-116.2 151.5 -1.9 -2.6 82.7 30 34 A S > - 0 0 58 -2,-0.3 3,-1.6 4,-0.1 45,-0.2 -0.312 42.5 -85.8 -92.4-179.9 -3.4 0.8 83.5 31 35 A E T 3 S+ 0 0 126 1,-0.3 46,-2.3 44,-0.2 47,-0.5 0.683 128.5 39.2 -63.6 -21.2 -6.4 2.6 82.0 32 36 A E T 3 S+ 0 0 89 45,-0.2 71,-2.9 44,-0.1 72,-0.3 0.274 102.3 98.3-109.6 9.8 -4.3 4.1 79.2 33 37 A E E < -D 102 0B 38 -3,-1.6 42,-2.5 69,-0.3 2,-0.4 -0.577 58.9-140.1-105.6 159.8 -2.0 1.1 78.5 34 38 A L E -DE 101 74B 0 67,-3.1 67,-1.6 40,-0.2 2,-0.5 -0.903 6.5-148.8-110.0 142.1 -1.8 -1.7 76.0 35 39 A L E -DE 100 73B 7 38,-3.3 37,-2.9 -2,-0.4 38,-1.6 -0.979 24.1-165.2-104.8 123.4 -0.9 -5.3 76.8 36 40 A I E -DE 99 71B 0 63,-3.1 63,-2.3 -2,-0.5 2,-0.7 -0.934 18.3-146.7-117.2 127.0 0.8 -6.8 73.8 37 41 A K E -DE 98 70B 47 33,-2.8 33,-2.3 -2,-0.5 61,-0.2 -0.857 32.5-135.1 -87.9 117.3 1.5 -10.4 73.0 38 42 A N E + E 0 69B 4 59,-2.4 31,-0.3 -2,-0.7 3,-0.1 -0.451 33.1 173.5 -83.1 145.6 4.8 -10.4 71.1 39 43 A K E S+ 0 0 60 29,-3.0 289,-2.2 1,-0.4 2,-0.3 0.703 72.6 14.0-111.5 -39.4 5.6 -12.3 68.0 40 44 A Y E -FE 327 68B 21 28,-1.8 28,-2.2 287,-0.2 -1,-0.4 -0.979 57.7-172.2-139.3 149.1 9.0 -11.0 67.1 41 45 A T E -FE 326 67B 0 285,-2.1 285,-3.0 -2,-0.3 2,-0.2 -0.995 22.9-123.5-143.4 139.5 11.7 -8.9 68.8 42 46 A G E -F 325 0B 0 24,-0.5 23,-0.4 -2,-0.3 2,-0.4 -0.563 17.3-126.4 -86.3 143.0 14.9 -7.4 67.4 43 47 A V - 0 0 1 281,-2.8 281,-0.4 -2,-0.2 2,-0.4 -0.724 30.6-173.3 -82.1 132.6 18.4 -7.9 68.7 44 48 A N > - 0 0 8 -2,-0.4 3,-1.7 279,-0.1 4,-0.3 -0.983 32.3-127.7-131.1 142.5 20.2 -4.7 69.5 45 49 A Y T > S+ 0 0 60 -2,-0.4 3,-2.1 1,-0.3 4,-0.5 0.777 99.3 78.3 -60.2 -28.6 23.9 -4.2 70.5 46 50 A I T >> S+ 0 0 44 1,-0.3 4,-1.4 2,-0.2 3,-1.1 0.759 77.1 73.5 -52.4 -29.8 22.9 -2.2 73.6 47 51 A E H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.3 -1,-0.3 0.822 90.2 59.5 -57.2 -30.9 22.0 -5.4 75.4 48 52 A S H <> S+ 0 0 1 -3,-2.1 4,-2.2 -4,-0.3 6,-0.3 0.835 99.9 55.2 -64.6 -34.8 25.7 -6.1 75.8 49 53 A Y H <>>S+ 0 0 16 -3,-1.1 6,-1.8 -4,-0.5 5,-1.6 0.902 111.2 44.0 -68.0 -40.4 26.2 -2.8 77.7 50 54 A F H ><5S+ 0 0 21 -4,-1.4 3,-0.6 4,-0.2 -2,-0.2 0.925 113.8 50.8 -67.2 -43.7 23.6 -3.8 80.2 51 55 A R H 3<5S+ 0 0 9 -4,-2.4 -37,-2.4 1,-0.2 -2,-0.2 0.867 114.1 43.7 -61.8 -37.7 24.9 -7.3 80.5 52 56 A K H 3<5S- 0 0 94 -4,-2.2 -1,-0.2 -39,-0.2 -2,-0.2 0.590 113.3-112.6 -85.5 -11.8 28.5 -6.2 81.0 53 57 A G T <<5S+ 0 0 38 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.554 84.4 121.9 86.3 9.6 27.7 -3.4 83.5 54 58 A I S - 0 0 9 -42,-2.5 3,-1.4 -2,-0.3 -44,-0.2 -0.188 40.1-101.8 -66.3 165.2 -7.0 -0.1 79.5 76 80 A K T 3 S+ 0 0 206 1,-0.3 -44,-0.1 3,-0.0 -45,-0.1 0.764 119.5 49.8 -60.0 -30.4 -10.5 1.4 79.9 77 81 A G T 3 S+ 0 0 38 -46,-2.3 2,-0.6 -44,-0.0 -1,-0.3 0.388 80.1 115.9 -94.0 2.2 -9.5 4.7 78.3 78 82 A V < + 0 0 7 -3,-1.4 -46,-0.1 -47,-0.5 -45,-0.1 -0.637 18.7 147.0 -81.6 118.2 -7.9 3.4 75.2 79 83 A T + 0 0 121 -2,-0.6 -1,-0.2 3,-0.1 -3,-0.0 0.548 63.9 67.9-120.1 -21.1 -9.7 4.4 72.0 80 84 A N S S+ 0 0 58 1,-0.0 2,-0.3 2,-0.0 29,-0.1 0.484 104.5 46.2 -82.9 -3.3 -6.8 4.7 69.5 81 85 A F - 0 0 9 28,-0.0 2,-0.3 4,-0.0 22,-0.0 -0.990 68.3-153.8-137.8 147.5 -6.2 1.0 69.6 82 86 A E > - 0 0 99 -2,-0.3 3,-2.0 -9,-0.0 -11,-0.3 -0.882 34.5 -98.6-115.6 149.5 -8.5 -2.1 69.4 83 87 A V T 3 S+ 0 0 81 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.527 115.4 34.8 -62.9 128.7 -7.9 -5.6 70.8 84 88 A G T 3 S+ 0 0 47 -13,-2.4 -1,-0.3 1,-0.4 2,-0.1 0.202 85.4 138.6 104.4 -13.4 -6.6 -7.7 67.9 85 89 A D < - 0 0 4 -3,-2.0 -14,-2.6 -14,-0.1 2,-0.4 -0.430 52.7-130.6 -62.9 134.3 -4.7 -4.8 66.4 86 90 A Q E -G 70 0B 32 24,-0.3 24,-2.8 -16,-0.2 2,-0.3 -0.761 36.1-178.4 -87.3 134.5 -1.2 -5.7 65.1 87 91 A V E -GH 69 109B 0 -18,-2.9 -18,-2.2 -2,-0.4 2,-0.4 -0.911 29.6-154.9-135.9 154.8 1.4 -3.3 66.4 88 92 A A E +GH 68 108B 0 20,-1.7 20,-2.8 -2,-0.3 2,-0.3 -0.992 33.2 167.8-125.5 138.9 5.1 -2.4 66.2 89 93 A Y E -GH 67 107B 0 -22,-2.6 -22,-2.1 -2,-0.4 2,-0.6 -0.988 39.5-122.0-154.5 156.2 6.6 -0.6 69.2 90 94 A I E +G 66 0B 28 16,-2.4 2,-0.3 -2,-0.3 -24,-0.3 -0.908 53.8 132.0-100.4 119.9 9.6 0.7 71.1 91 95 A S - 0 0 21 -26,-1.6 3,-0.4 -2,-0.6 -2,-0.1 -0.960 51.7-114.1-165.4 147.0 9.7 -0.6 74.7 92 96 A N S S+ 0 0 82 -2,-0.3 -27,-0.2 1,-0.2 8,-0.1 -0.240 95.5 41.3 -69.3 170.1 11.9 -2.2 77.3 93 97 A S S S+ 0 0 55 -31,-0.7 -29,-0.2 -29,-0.5 -1,-0.2 0.829 72.5 132.3 58.5 37.1 11.1 -5.8 78.5 94 98 A T + 0 0 0 -3,-0.4 2,-2.1 -31,-0.3 -30,-0.3 0.488 42.2 88.9 -99.6 -7.0 10.3 -7.0 75.0 95 99 A F S S+ 0 0 0 -32,-2.4 -87,-2.4 -87,-0.2 2,-0.3 -0.558 85.7 89.2 -79.0 67.7 12.4 -10.2 75.1 96 100 A A B S-B 7 0A 0 -2,-2.1 -89,-0.2 -89,-0.2 -58,-0.2 -0.980 89.3-118.2-162.7 155.2 9.1 -11.5 76.5 97 101 A Q S S+ 0 0 26 -91,-1.3 -59,-2.4 -2,-0.3 2,-0.4 0.838 103.8 29.6 -72.7 -32.6 5.8 -13.1 75.5 98 102 A Y E +D 37 0B 24 -61,-0.2 2,-0.3 -92,-0.2 -61,-0.2 -0.994 66.9 169.5-134.2 132.9 3.9 -10.1 76.9 99 103 A S E -D 36 0B 2 -63,-2.3 -63,-3.1 -2,-0.4 2,-0.3 -0.964 20.5-137.5-137.8 155.4 4.8 -6.5 77.3 100 104 A K E +D 35 0B 84 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.830 22.5 166.6-112.5 152.8 3.0 -3.3 78.3 101 105 A I E -D 34 0B 15 -67,-1.6 -67,-3.1 -2,-0.3 2,-0.1 -0.967 41.2 -96.7-156.6 148.8 3.2 0.3 76.8 102 106 A S E > -D 33 0B 43 -2,-0.3 3,-1.5 -69,-0.2 -69,-0.3 -0.441 27.3-132.7 -62.0 138.4 1.2 3.5 77.0 103 107 A S T 3 S+ 0 0 6 -71,-2.9 4,-0.2 1,-0.3 -1,-0.1 0.673 112.9 53.0 -65.7 -17.0 -1.3 3.9 74.1 104 108 A Q T 3 S+ 0 0 116 -72,-0.3 -1,-0.3 2,-0.1 -71,-0.1 0.438 99.7 86.9 -93.6 -4.4 0.2 7.4 73.9 105 109 A G S < S- 0 0 17 -3,-1.5 2,-2.5 1,-0.1 -14,-0.1 0.000 104.1 -55.3 -84.8-168.5 3.7 6.0 73.8 106 110 A P S S+ 0 0 32 0, 0.0 -16,-2.4 0, 0.0 2,-0.4 -0.399 88.9 124.6 -74.7 69.4 5.9 4.9 70.8 107 111 A V E -H 89 0B 7 -2,-2.5 2,-0.4 -18,-0.2 -18,-0.2 -0.995 42.2-159.3-127.6 134.1 3.5 2.3 69.4 108 112 A M E -H 88 0B 14 -20,-2.8 -20,-1.7 -2,-0.4 2,-0.4 -0.946 16.4-129.3-116.7 135.2 2.2 2.3 65.8 109 113 A K E -H 87 0B 104 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.703 26.2-145.4 -81.3 127.0 -0.9 0.5 64.5 110 114 A L - 0 0 7 -24,-2.8 -24,-0.3 -2,-0.4 3,-0.1 -0.497 31.6 -79.6 -87.2 162.3 -0.2 -1.6 61.6 111 115 A P > - 0 0 60 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.292 58.0 -94.2 -63.9 146.2 -2.5 -2.1 58.6 112 116 A K T 3 S+ 0 0 164 1,-0.3 3,-0.1 -3,-0.1 -27,-0.1 -0.222 110.1 23.3 -63.1 149.3 -5.3 -4.6 59.2 113 117 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.734 81.7 170.3 67.4 23.1 -4.5 -8.1 58.1 114 118 A T < - 0 0 7 -3,-1.1 -1,-0.2 1,-0.1 2,-0.0 -0.411 29.9-125.3 -64.0 141.0 -0.8 -7.6 58.3 115 119 A S > - 0 0 47 -3,-0.1 4,-1.9 1,-0.1 -1,-0.1 -0.264 15.1-111.0 -86.1 174.0 1.0 -10.9 57.9 116 120 A D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.831 118.4 58.3 -68.8 -36.8 3.5 -12.6 60.1 117 121 A E H > S+ 0 0 161 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 109.6 43.9 -58.8 -43.0 6.2 -12.0 57.4 118 122 A E H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.883 109.6 56.3 -69.5 -40.7 5.5 -8.2 57.6 119 123 A L H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.886 108.2 48.4 -55.8 -42.7 5.4 -8.4 61.5 120 124 A K H X S+ 0 0 53 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.892 109.9 52.5 -64.1 -41.0 8.9 -9.9 61.4 121 125 A L H X S+ 0 0 51 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.887 110.0 47.5 -63.3 -41.2 10.1 -7.1 59.0 122 126 A Y H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.870 111.6 49.9 -69.2 -38.4 8.8 -4.4 61.3 123 127 A A H < S+ 0 0 1 -4,-2.0 4,-0.3 1,-0.2 -81,-0.3 0.820 113.4 48.0 -66.4 -32.8 10.4 -5.9 64.4 124 128 A A H < S+ 0 0 0 -4,-1.9 4,-0.3 -5,-0.1 -2,-0.2 0.833 123.1 31.3 -74.3 -34.9 13.7 -6.2 62.4 125 129 A G H X S+ 0 0 1 -4,-1.8 4,-2.6 -5,-0.1 5,-0.4 0.747 93.9 85.5 -98.4 -25.9 13.5 -2.6 61.1 126 130 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.887 95.7 32.5 -52.5 -64.1 11.8 -0.4 63.7 127 131 A L H > S+ 0 0 28 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.921 121.7 47.4 -62.9 -46.8 14.5 0.7 66.2 128 132 A Q H > S+ 0 0 16 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.869 114.7 45.6 -67.5 -36.2 17.4 0.8 63.8 129 133 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.913 112.7 50.0 -71.7 -43.2 15.5 2.8 61.1 130 134 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.4 5,-0.2 0.900 113.3 48.6 -59.2 -40.9 14.1 5.3 63.6 131 135 A T H X S+ 0 0 11 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.955 113.2 45.6 -61.3 -53.3 17.6 5.7 64.9 132 136 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.905 115.4 47.5 -59.1 -44.0 19.1 6.2 61.4 133 137 A L H X S+ 0 0 3 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.964 116.4 41.0 -63.2 -54.2 16.3 8.6 60.4 134 138 A S H X>S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-1.3 0.858 114.4 52.1 -65.0 -36.4 16.4 10.8 63.6 135 139 A F H <>S+ 0 0 6 -4,-2.6 5,-2.3 -5,-0.2 -1,-0.2 0.831 113.8 43.0 -72.3 -30.4 20.2 10.8 63.8 136 140 A T H <5S+ 0 0 0 -4,-1.6 6,-2.1 -5,-0.2 -1,-0.2 0.466 121.8 41.4 -92.6 -4.1 20.6 12.0 60.2 137 141 A N H <5S+ 0 0 39 -4,-0.7 -2,-0.2 -3,-0.4 -3,-0.2 0.776 134.9 6.3-102.5 -44.5 17.8 14.5 60.5 138 142 A E T <5S+ 0 0 63 -4,-3.0 3,-0.4 2,-0.2 -3,-0.2 0.802 123.8 53.6-113.5 -45.5 18.4 16.0 63.9 139 143 A A T - 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0 0 99 -2,-0.1 3,-2.1 1,-0.1 2,-0.1 -0.774 28.3 -91.6-104.0 151.2 21.1 8.7 37.3 806 148 C K T 3 S+ 0 0 114 -2,-0.3 26,-0.2 1,-0.2 25,-0.2 -0.392 115.6 23.8 -54.7 130.3 21.0 9.6 41.0 807 149 C G T 3 S+ 0 0 19 24,-2.4 -1,-0.2 1,-0.3 25,-0.2 0.338 88.5 139.7 90.2 -6.6 24.6 9.7 42.3 808 150 C D < - 0 0 5 -3,-2.1 25,-3.3 68,-0.1 2,-0.5 -0.459 52.5-131.7 -64.1 139.0 26.2 10.3 38.9 809 151 C Y E -p 833 0K 7 23,-0.2 68,-1.6 -2,-0.1 69,-1.5 -0.851 29.7-168.2 -87.6 126.5 29.0 12.8 38.8 810 152 C V E -pq 834 878K 0 23,-2.1 25,-3.1 -2,-0.5 2,-0.4 -0.976 15.8-146.7-125.3 122.4 28.3 15.2 36.0 811 153 C L E -pq 835 879K 0 67,-2.6 69,-3.2 -2,-0.5 2,-0.5 -0.747 20.5-170.0 -84.9 131.3 30.7 17.7 34.5 812 154 C L E -pq 836 880K 1 23,-2.7 25,-3.0 -2,-0.4 3,-0.4 -0.946 5.3-164.1-132.6 111.1 28.9 20.8 33.3 813 155 C F S S+ 0 0 7 67,-1.8 25,-0.1 -2,-0.5 4,-0.1 -0.441 76.8 24.6 -87.5 165.9 30.5 23.6 31.2 814 156 C A S > S+ 0 0 48 -2,-0.1 3,-1.7 1,-0.1 6,-0.4 0.904 80.5 173.3 45.1 47.8 29.1 27.1 30.7 815 157 C A T 3 + 0 0 0 22,-2.5 9,-0.3 -3,-0.4 23,-0.1 0.671 67.0 45.1 -67.0 -22.5 27.4 26.3 34.0 816 158 C A T 3 S+ 0 0 1 21,-0.2 168,-2.3 4,-0.1 -1,-0.3 0.362 94.3 101.7-103.1 4.8 25.9 29.8 34.6 817 159 C G B <> S-a 984 0L 20 -3,-1.7 4,-2.6 166,-0.3 5,-0.2 0.006 92.4 -84.7 -71.8-173.3 24.6 30.2 31.1 818 160 C G H > S+ 0 0 12 166,-0.6 4,-1.2 2,-0.2 167,-0.2 0.982 131.0 30.9 -60.1 -62.7 21.0 29.8 29.9 819 161 C V H > S+ 0 0 33 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.898 117.5 62.5 -61.4 -40.0 21.1 26.0 29.3 820 162 C G H > S+ 0 0 6 -6,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.880 102.4 46.6 -54.1 -47.9 23.7 25.8 32.2 821 163 C L H X S+ 0 0 3 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.831 113.9 48.9 -69.3 -31.5 21.4 27.1 34.9 822 164 C I H X S+ 0 0 5 -4,-1.2 4,-2.5 -5,-0.2 -2,-0.2 0.943 112.1 48.8 -69.3 -47.6 18.5 24.9 33.7 823 165 C L H X S+ 0 0 2 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.892 107.5 55.8 -58.4 -41.4 20.9 21.9 33.7 824 166 C N H X S+ 0 0 0 -4,-2.6 4,-1.9 -9,-0.3 -1,-0.2 0.915 110.8 44.6 -56.0 -44.4 22.1 22.8 37.2 825 167 C Q H X S+ 0 0 24 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.916 115.2 46.2 -68.6 -43.6 18.5 22.7 38.5 826 168 C L H X S+ 0 0 4 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.885 111.2 52.1 -67.7 -39.5 17.6 19.4 36.8 827 169 C L H <>S+ 0 0 0 -4,-3.0 5,-2.8 -5,-0.2 4,-0.5 0.891 110.5 49.0 -64.7 -38.6 20.8 17.7 37.8 828 170 C K H ><5S+ 0 0 115 -4,-1.9 3,-1.2 22,-0.3 -2,-0.2 0.933 109.4 52.3 -62.2 -46.8 20.1 18.7 41.5 829 171 C M H 3<5S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.815 110.4 48.5 -58.0 -34.4 16.5 17.4 41.1 830 172 C K T 3<5S- 0 0 61 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.530 117.0-114.9 -84.7 -8.5 17.9 14.0 39.8 831 173 C G T < 5 + 0 0 12 -3,-1.2 -24,-2.4 -4,-0.5 -3,-0.2 0.766 61.3 153.7 78.0 26.8 20.4 13.8 42.7 832 174 C A < - 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