==== 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 (CH-OH(D)-CYTOCHROME(A)) 16-JAN-90 1FCB . COMPND 2 MOLECULE: FLAVOCYTOCHROME B2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR F.S.MATHEWS,Z.-X.XIA . 893 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 2.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 2 0.2 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 . 64 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 2 1 5 4 4 6 3 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 7 1 6 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 0 PARALLEL BRIDGES PER LADDER . 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 1 0 1 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 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 E 0 0 15 0, 0.0 31,-0.1 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 -20.2 78.0 34.7 7.1 2 2 A P - 0 0 33 0, 0.0 30,-0.1 0, 0.0 2,-0.0 0.994 360.0-125.9 -60.0 -81.1 81.0 33.1 5.5 3 3 A K - 0 0 100 27,-0.1 27,-0.0 28,-0.1 0, 0.0 -0.464 19.6-162.0 170.3 -82.3 82.5 31.2 8.4 4 4 A L - 0 0 110 1,-0.1 2,-4.8 2,-0.1 76,-0.0 -0.122 27.7-162.8 92.0 -25.4 86.1 31.9 9.2 5 5 A D - 0 0 79 1,-0.1 2,-2.0 2,-0.1 3,-0.2 -0.001 13.6-146.8 43.0 -31.8 85.6 28.6 11.0 6 6 A M - 0 0 85 -2,-4.8 -1,-0.1 1,-0.2 -2,-0.1 -0.627 48.8 -99.2 73.3 -92.7 88.7 28.9 13.3 7 7 A N S S+ 0 0 136 -2,-2.0 -1,-0.2 76,-0.0 -2,-0.1 0.236 87.7 6.9 169.8 -23.0 88.8 25.1 12.9 8 8 A K + 0 0 136 -3,-0.2 -2,-0.1 2,-0.0 -3,-0.0 0.623 53.8 126.2-142.8 -72.7 87.3 23.8 16.1 9 9 A Q - 0 0 105 1,-0.2 73,-0.1 73,-0.1 72,-0.0 0.010 56.5-144.8 32.2-113.7 85.4 25.0 19.2 10 10 A K - 0 0 119 73,-0.3 74,-0.2 2,-0.0 -1,-0.2 0.625 16.1-160.9 124.7 72.1 82.4 22.6 18.7 11 11 A I B -a 84 0A 7 72,-2.8 74,-3.6 75,-0.0 0, 0.0 -0.324 1.5-145.3 -83.9 169.2 79.0 24.0 19.7 12 12 A S > - 0 0 33 72,-0.2 4,-3.1 -2,-0.0 3,-0.5 -0.963 26.7-113.4-136.1 144.4 75.6 22.4 20.6 13 13 A P T 4 S+ 0 0 30 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.511 118.7 36.1 -50.9 -7.5 71.8 23.0 20.2 14 14 A A T > S+ 0 0 72 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.605 111.4 57.1-116.6 -29.0 71.4 23.4 24.0 15 15 A E T 4 S+ 0 0 78 -3,-0.5 4,-0.2 1,-0.2 -4,-0.0 0.962 122.5 31.6 -61.8 -44.9 74.6 25.1 24.7 16 16 A V T >< S+ 0 0 0 -4,-3.1 3,-1.1 1,-0.2 10,-0.3 0.778 112.7 59.9 -78.9 -35.3 73.4 27.7 22.2 17 17 A A T 34 S+ 0 0 28 -5,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 98.1 67.7 -64.0 -25.5 69.6 27.4 22.8 18 18 A K T 3< S+ 0 0 111 -4,-1.4 2,-1.0 1,-0.2 -1,-0.2 0.697 88.7 60.8 -65.4 -29.6 70.6 28.5 26.4 19 19 A H < + 0 0 30 -3,-1.1 7,-1.9 -4,-0.2 -1,-0.2 -0.762 62.9 136.1-104.7 80.7 71.6 32.0 25.5 20 20 A N + 0 0 77 -2,-1.0 34,-0.2 5,-0.2 -1,-0.1 -0.283 50.8 69.8-122.0 48.1 68.3 33.2 24.2 21 21 A K S >> S- 0 0 141 1,-0.3 4,-3.6 32,-0.1 3,-0.5 -0.955 86.2 -99.0-153.8 159.9 68.1 36.6 25.8 22 22 A P G >4 S+ 0 0 47 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.496 102.6 73.6 -57.6-147.1 69.8 40.0 25.5 23 23 A D G 34 S- 0 0 164 1,-0.2 15,-0.1 14,-0.2 14,-0.1 0.590 134.1 -3.0 49.9 -4.5 72.5 40.4 28.2 24 24 A D G <4 S- 0 0 40 -3,-0.5 13,-0.9 13,-0.1 -1,-0.2 0.268 80.3-176.1 177.0 -26.5 74.1 37.8 25.8 25 25 A C << - 0 0 0 -4,-3.6 11,-2.0 -3,-0.7 12,-0.7 0.574 8.1-164.2 12.2 118.3 72.1 36.6 22.7 26 26 A W E -B 35 0B 40 -7,-1.9 29,-2.1 -10,-0.3 2,-0.3 -0.928 7.3-170.3-120.7 148.7 73.8 33.9 20.6 27 27 A V E -B 34 0B 0 7,-2.1 7,-1.7 -2,-0.4 2,-0.6 -0.964 22.5-132.7-139.6 152.0 72.6 33.0 17.1 28 28 A V E +Bc 33 57B 0 28,-3.4 30,-2.4 -2,-0.3 31,-0.8 -0.967 22.6 179.2-105.5 119.9 73.2 30.4 14.4 29 29 A I E > S-B 32 0B 9 3,-1.5 3,-1.0 -2,-0.6 2,-0.8 -0.963 70.7 -37.5-118.4 99.3 73.8 31.9 10.9 30 30 A N T 3 S- 0 0 69 -2,-0.5 29,-0.1 1,-0.2 -27,-0.1 -0.801 124.1 -28.2 86.6-114.7 74.4 29.0 8.6 31 31 A G T 3 S+ 0 0 40 -2,-0.8 53,-3.7 2,-0.1 -1,-0.2 0.532 120.3 84.4-109.2 -14.4 76.4 26.4 10.4 32 32 A Y E < -BD 29 83B 9 -3,-1.0 -3,-1.5 51,-0.3 2,-0.3 -0.450 66.0-129.9 -93.3 155.3 78.3 28.7 12.8 33 33 A V E -B 28 0B 0 49,-1.3 48,-0.6 -5,-0.2 2,-0.3 -0.811 21.8-178.5-109.8 145.8 77.6 30.4 16.2 34 34 A Y E -BD 27 80B 2 -7,-1.7 -7,-2.1 -2,-0.3 2,-0.9 -0.988 29.2-131.9-145.4 134.4 78.0 34.0 17.1 35 35 A D E +B 26 0B 25 44,-2.2 3,-0.3 -2,-0.3 -9,-0.3 -0.783 28.9 174.6 -83.8 109.7 77.5 36.0 20.3 36 36 A L > + 0 0 10 -11,-2.0 4,-2.2 -2,-0.9 -11,-0.2 0.287 46.4 104.8 -95.4 13.9 75.4 39.0 19.0 37 37 A T T 4 S+ 0 0 32 -13,-0.9 -14,-0.2 -12,-0.7 -1,-0.2 0.895 82.5 38.9 -60.1 -48.5 74.9 40.5 22.4 38 38 A R T 4 S+ 0 0 189 -3,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.717 119.7 52.4 -72.7 -23.7 77.3 43.5 22.3 39 39 A F T >> S+ 0 0 37 -4,-0.2 3,-2.6 1,-0.1 4,-0.9 0.841 86.3 77.8 -82.1 -39.1 76.2 44.0 18.6 40 40 A L G >< S+ 0 0 4 -4,-2.2 3,-0.7 1,-0.3 -1,-0.1 0.746 86.0 58.9 -48.5 -45.0 72.5 44.2 18.8 41 41 A P G 34 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.650 113.1 45.4 -56.4 -22.0 72.1 47.8 20.0 42 42 A N G <4 S+ 0 0 26 -3,-2.6 267,-0.4 265,-0.1 -2,-0.2 0.708 76.3 129.5 -96.3 -15.8 74.0 48.7 16.9 43 43 A H X< - 0 0 29 -4,-0.9 3,-2.2 -3,-0.7 4,-0.1 -0.053 58.4-138.0 -41.0 123.5 72.3 46.6 14.2 44 44 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.869 101.2 51.9 -56.3 -32.3 71.4 48.9 11.3 45 45 A G T 3 S- 0 0 38 1,-0.2 4,-0.3 2,-0.0 -2,-0.1 0.146 123.2 -75.8 -91.5 20.6 68.1 47.1 11.1 46 46 A G < - 0 0 33 -3,-2.2 4,-0.4 1,-0.1 -1,-0.2 0.235 29.2-110.5 96.7 137.2 66.8 47.3 14.7 47 47 A Q S > S+ 0 0 56 1,-0.2 4,-2.0 257,-0.1 -1,-0.1 0.639 105.9 67.8 -78.0 -24.6 67.7 45.5 17.9 48 48 A D H > S+ 0 0 71 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.878 88.3 57.6 -69.8 -51.6 64.3 43.7 18.0 49 49 A V H 4 S+ 0 0 29 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.728 120.3 34.6 -56.6 -27.0 64.5 41.3 15.0 50 50 A I H >4 S+ 0 0 19 -4,-0.4 3,-2.5 2,-0.1 -2,-0.2 0.882 115.6 52.1 -90.9 -47.5 67.6 39.8 16.6 51 51 A K H >< S+ 0 0 62 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.943 113.2 47.5 -54.0 -51.6 66.7 40.1 20.3 52 52 A F T 3< S+ 0 0 142 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.1 0.157 107.7 54.6 -76.1 15.2 63.5 38.3 19.7 53 53 A N T < S+ 0 0 32 -3,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 -0.051 82.7 168.9-135.2 23.6 65.1 35.5 17.6 54 54 A A < - 0 0 4 -3,-1.1 -27,-0.2 1,-0.2 -34,-0.1 -0.189 60.8 -4.5 -42.9 109.9 67.5 34.7 20.4 55 55 A G S S+ 0 0 3 -29,-2.1 2,-0.3 1,-0.2 -28,-0.2 0.987 104.4 115.8 57.8 79.4 69.5 31.5 20.1 56 56 A K S S- 0 0 48 -3,-0.1 -28,-3.4 -30,-0.1 2,-0.8 -0.843 81.1 -88.2-158.3 174.9 67.9 30.2 16.8 57 57 A D B +ce 28 93B 27 35,-1.6 37,-3.1 -2,-0.3 3,-0.3 -0.946 46.6 172.9 -92.9 101.6 68.9 29.4 13.2 58 58 A V >> + 0 0 6 -30,-2.4 4,-3.1 -2,-0.8 3,-3.0 0.238 43.2 115.2 -98.2 2.9 68.2 33.0 11.9 59 59 A T H 3> + 0 0 31 -31,-0.8 4,-2.3 1,-0.3 -1,-0.2 0.819 69.7 52.1 -39.2 -49.9 69.8 31.8 8.7 60 60 A A H 34 S+ 0 0 37 34,-0.5 37,-0.4 -3,-0.3 -1,-0.3 0.617 114.1 43.3 -74.8 -14.4 66.6 32.2 6.7 61 61 A I H <4 S+ 0 0 21 -3,-3.0 4,-0.5 35,-0.2 -2,-0.2 0.749 121.8 36.8 -98.1 -35.0 66.1 35.7 7.9 62 62 A F H >X S+ 0 0 27 -4,-3.1 3,-1.3 2,-0.1 4,-0.7 0.961 104.8 63.2 -80.3 -52.3 69.6 36.9 7.4 63 63 A E G >< S+ 0 0 103 -4,-2.3 3,-0.6 -5,-0.3 -3,-0.1 0.782 106.4 42.5 -42.4 -56.0 70.9 35.2 4.3 64 64 A P G 34 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.552 115.4 46.9 -71.2 -17.7 68.5 36.8 1.8 65 65 A L G <4 S+ 0 0 26 -3,-1.3 2,-0.3 -4,-0.5 -2,-0.2 0.272 98.9 76.1-107.5 3.3 68.6 40.4 3.1 66 66 A H S << S- 0 0 48 -4,-0.7 166,-0.2 -3,-0.6 168,-0.1 -0.865 77.8-108.5-124.7 157.3 72.3 41.1 3.6 67 67 A A > - 0 0 5 164,-0.5 3,-1.4 -2,-0.3 166,-0.2 -0.498 40.1-115.6 -71.9 140.5 75.5 41.8 1.6 68 68 A P T 3 S+ 0 0 60 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.455 107.1 59.7 -61.0 -5.2 77.9 38.8 1.5 69 69 A N T 3> S+ 0 0 37 1,-0.1 4,-1.2 2,-0.1 5,-0.1 0.267 71.3 99.4-114.4 23.7 80.5 40.7 3.4 70 70 A V H <> S+ 0 0 30 -3,-1.4 4,-2.7 2,-0.2 5,-0.2 0.819 80.8 45.5 -73.4 -45.1 78.9 41.7 6.8 71 71 A I H > S+ 0 0 5 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.866 113.1 52.6 -65.5 -41.1 80.1 39.2 9.3 72 72 A D H 4 S+ 0 0 87 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.951 120.0 34.0 -59.1 -51.1 83.7 39.4 8.1 73 73 A K H < S+ 0 0 66 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.736 125.6 30.6 -76.9 -33.2 83.6 43.1 8.4 74 74 A Y H < S+ 0 0 46 -4,-2.7 2,-0.5 2,-0.1 -3,-0.2 0.401 100.2 77.4-115.4 2.6 81.5 44.1 11.4 75 75 A I S < S- 0 0 22 -4,-1.3 5,-0.1 -5,-0.2 -39,-0.0 -0.967 78.1-122.4-118.5 126.8 81.8 41.2 13.8 76 76 A A > - 0 0 41 -2,-0.5 3,-2.9 1,-0.1 4,-0.4 -0.417 23.6-117.3 -69.5 147.6 84.9 40.8 16.0 77 77 A P G > S+ 0 0 99 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.870 113.8 62.6 -46.6 -39.4 86.7 37.5 15.7 78 78 A E G 3 S+ 0 0 130 1,-0.3 -43,-0.1 -44,-0.0 -2,-0.0 0.699 93.4 63.3 -63.3 -17.5 85.9 36.8 19.3 79 79 A K G < S+ 0 0 57 -3,-2.9 -44,-2.2 1,-0.1 2,-1.3 0.531 79.1 87.0 -84.2 -11.3 82.2 36.8 18.6 80 80 A K E < +D 34 0B 18 -3,-1.7 -46,-0.2 -4,-0.4 -1,-0.1 -0.787 58.4 173.5 -93.0 84.3 82.5 33.7 16.3 81 81 A L E - 0 0 23 -2,-1.3 -1,-0.2 -48,-0.6 -47,-0.1 0.948 44.9 -46.1 -56.4 -94.6 82.1 31.1 19.0 82 82 A G E - 0 0 0 -73,-0.1 -49,-1.3 -76,-0.1 -1,-0.2 -0.958 51.3 -82.0-149.1 169.3 81.9 27.8 17.1 83 83 A P E -D 32 0B 36 0, 0.0 -72,-2.8 0, 0.0 2,-0.4 -0.438 58.5-109.6 -60.9 138.5 80.6 25.5 14.4 84 84 A L B -a 11 0A 21 -53,-3.7 2,-0.9 -74,-0.2 -72,-0.2 -0.606 25.5-115.0 -81.7 124.1 77.3 24.1 15.4 85 85 A Q S S- 0 0 89 -74,-3.6 -1,-0.1 -2,-0.4 2,-0.0 -0.405 73.9 -57.4 -54.7 96.2 77.2 20.4 16.3 86 86 A G S S- 0 0 63 -2,-0.9 -2,-0.1 -74,-0.1 2,-0.1 -0.429 101.4 -31.9 62.7-137.4 75.0 19.1 13.5 87 87 A S - 0 0 99 -2,-0.0 -2,-0.0 1,-0.0 -56,-0.0 -0.303 59.3-101.8-109.8-168.8 71.6 20.9 13.6 88 88 A M - 0 0 14 -2,-0.1 4,-0.1 1,-0.1 5,-0.1 -0.840 49.6 -79.0-119.7 153.4 69.1 22.5 16.0 89 89 A P - 0 0 58 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.258 63.5-118.2 -37.4 147.7 65.8 21.4 17.5 90 90 A P S S+ 0 0 89 0, 0.0 2,-7.1 0, 0.0 3,-0.2 0.784 103.7 49.7 -61.5-112.4 63.8 22.2 14.4 91 91 A E S S+ 0 0 183 1,-0.4 3,-0.1 -35,-0.1 0, 0.0 0.295 98.6 72.4 -22.7 29.0 61.2 24.9 15.2 92 92 A L S S+ 0 0 53 -2,-7.1 -35,-1.6 -3,-0.5 2,-0.7 0.091 79.7 91.5-122.8 -2.5 64.1 26.8 16.8 93 93 A V B S-e 57 0B 66 -37,-0.2 -35,-0.2 -3,-0.2 -37,-0.0 -0.937 84.2-127.1-102.3 115.6 65.1 27.3 13.1 94 94 A C - 0 0 13 -37,-3.1 -34,-0.5 -2,-0.7 3,-0.1 -0.358 12.1-134.7 -68.4 143.2 63.6 30.6 11.9 95 95 A P - 0 0 92 0, 0.0 2,-0.1 0, 0.0 -35,-0.1 -0.080 44.2 -73.0 -77.1-178.3 61.4 30.9 8.8 96 96 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.342 58.6 -87.8 -82.4 159.6 62.0 33.8 6.3 97 97 A Y + 0 0 62 -37,-0.4 42,-0.0 -2,-0.1 -3,-0.0 -0.596 66.3 128.8 -74.4 124.8 61.0 37.4 7.1 98 98 A A > - 0 0 27 -2,-0.4 3,-2.7 3,-0.1 40,-0.1 -0.240 38.8-158.8-169.8 57.6 57.5 38.6 6.3 99 99 A P T 3 S+ 0 0 25 0, 0.0 40,-0.3 0, 0.0 3,-0.1 -0.128 82.8 6.7 -46.1 134.3 55.9 40.2 9.3 100 100 A G T 3 S+ 0 0 24 1,-0.2 2,-0.8 196,-0.1 4,-0.1 0.059 87.2 140.2 80.2 -27.7 52.2 40.2 8.9 101 101 A E < - 0 0 25 -3,-2.7 2,-1.1 1,-0.1 -1,-0.2 -0.300 40.2-159.3 -60.0 106.1 52.4 38.1 5.8 102 102 A T - 0 0 100 -2,-0.8 -1,-0.1 1,-0.1 0, 0.0 -0.824 64.8 -64.3 -82.4 82.7 49.4 35.9 6.5 103 103 A K S > S+ 0 0 198 -2,-1.1 3,-0.8 1,-0.2 -1,-0.1 0.581 103.0 138.9 34.9 21.3 50.1 32.9 4.3 104 104 A E T 3> + 0 0 58 1,-0.2 4,-1.5 2,-0.1 5,-0.2 0.259 27.3 99.6 -80.8 5.6 49.6 35.6 1.7 105 105 A D H 3> S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.733 76.0 64.0 -63.8 -21.9 52.4 34.7 -0.6 106 106 A I H <> S+ 0 0 136 -3,-0.8 4,-2.3 2,-0.2 5,-0.4 0.942 101.0 42.6 -77.1 -52.7 49.9 33.0 -2.9 107 107 A A H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.970 121.9 45.1 -54.7 -46.8 47.7 35.8 -4.1 108 108 A R H X S+ 0 0 33 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.851 111.6 48.9 -62.1 -44.0 51.0 37.9 -4.5 109 109 A K H < S+ 0 0 153 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 118.9 42.0 -68.6 -27.3 53.0 35.2 -6.3 110 110 A E H < S+ 0 0 89 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.824 105.8 64.6 -79.4 -37.1 50.0 34.7 -8.6 111 111 A Q H < S+ 0 0 75 -4,-2.2 4,-0.3 -5,-0.4 -2,-0.2 0.850 116.1 28.3 -58.2 -37.1 49.5 38.5 -8.8 112 112 A L S < S+ 0 0 64 -4,-1.6 2,-2.8 3,-0.2 4,-0.4 0.468 90.6 117.2-102.4 -3.2 52.9 38.7 -10.5 113 113 A K S S- 0 0 109 1,-0.4 -3,-0.1 -5,-0.2 -4,-0.1 -0.463 118.3 -59.4 -60.6 80.5 52.3 35.2 -11.8 114 114 A S S S+ 0 0 108 -2,-2.8 -1,-0.4 1,-0.2 -2,-0.2 0.861 120.4 113.5 36.6 60.4 52.4 36.7 -15.2 115 115 A L + 0 0 100 -4,-0.3 -1,-0.2 -3,-0.2 -3,-0.2 0.141 53.8 102.7-123.1 -10.1 49.4 38.8 -14.1 116 116 A L S S- 0 0 36 -4,-0.4 3,-0.1 1,-0.1 -4,-0.1 -0.554 82.4-117.6 -73.5 122.0 52.1 41.6 -14.5 117 117 A P - 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0 0 110 -80,-0.2 3,-0.7 -6,-0.2 2,-0.4 -0.774 67.5-145.8 -82.0 119.2 62.8 64.9 10.1 363 379 A D T 3 S+ 0 0 12 -2,-0.5 3,-0.1 1,-0.2 -214,-0.1 -0.794 88.4 41.4 -80.7 135.5 59.0 65.5 9.4 364 380 A F T 3 S+ 0 0 136 1,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.414 80.9 134.8 99.1 4.1 58.5 69.4 8.8 365 381 A S < - 0 0 11 -3,-0.7 -1,-0.5 -9,-0.1 2,-0.1 -0.681 59.5-112.7 -79.7 145.2 61.7 69.5 6.7 366 382 A R - 0 0 72 -2,-0.3 -1,-0.1 -30,-0.3 -209,-0.1 -0.399 31.9 -85.8 -71.7 155.0 60.9 71.6 3.5 367 383 A A >> - 0 0 0 1,-0.2 4,-1.4 -2,-0.1 3,-1.4 -0.439 33.5-132.5 -63.9 122.4 60.8 70.4 -0.1 368 384 A P H 3> S+ 0 0 4 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.779 104.7 64.9 -48.5 -34.1 64.4 70.5 -1.6 369 385 A I H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -212,-0.1 0.932 105.0 44.1 -62.1 -36.5 62.9 72.3 -4.7 370 386 A E H <> S+ 0 0 1 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.890 111.7 50.7 -80.1 -33.3 62.0 75.3 -2.5 371 387 A V H X S+ 0 0 2 -4,-1.4 4,-1.9 1,-0.2 3,-0.3 0.942 110.8 52.8 -62.3 -39.9 65.4 75.2 -0.7 372 388 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 3,-0.3 0.896 105.1 54.6 -58.5 -49.2 66.8 75.2 -4.2 373 389 A A H < S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.757 115.2 37.1 -59.6 -37.5 64.8 78.3 -5.2 374 390 A E H X S+ 0 0 56 -4,-1.6 4,-0.7 -3,-0.3 -1,-0.3 0.654 116.0 54.6 -86.2 -22.0 66.1 80.4 -2.4 375 391 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 -2,-0.2 0.934 98.9 55.8 -74.0 -52.4 69.6 79.0 -2.4 376 392 A M H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 3,-0.4 0.905 107.4 48.6 -50.3 -58.2 70.8 79.6 -6.0 377 393 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.924 113.4 49.2 -52.4 -44.7 70.1 83.4 -6.1 378 394 A I H X S+ 0 0 55 -4,-0.7 4,-0.7 1,-0.2 -2,-0.2 0.896 109.2 51.8 -64.5 -35.9 72.0 83.6 -2.8 379 395 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.9 -3,-0.4 3,-0.9 0.915 108.2 52.6 -65.0 -43.8 74.9 81.5 -4.3 380 396 A E H ><5S+ 0 0 105 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.901 102.2 59.0 -58.9 -40.3 75.1 83.9 -7.4 381 397 A Q H 3<5S+ 0 0 153 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.763 112.3 39.1 -57.0 -35.2 75.3 87.0 -5.1 382 398 A R T <<5S- 0 0 142 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.109 111.4-120.0-102.5 10.9 78.5 85.5 -3.5 383 399 A N T < 5S+ 0 0 139 -3,-1.5 -3,-0.2 1,-0.1 3,-0.2 0.860 80.3 123.8 54.3 35.9 79.8 84.3 -6.8 384 400 A L > < + 0 0 22 -5,-2.9 3,-1.6 -6,-0.2 4,-0.5 0.375 39.8 98.2-105.2 1.6 79.7 80.8 -5.3 385 401 A K G > S+ 0 0 64 -6,-0.9 3,-0.7 1,-0.3 -1,-0.1 0.875 84.4 39.3 -54.8 -48.4 77.5 79.5 -8.0 386 402 A D G 3 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.339 107.4 67.4 -89.5 12.9 80.1 77.8 -10.3 387 403 A K G < S+ 0 0 123 -3,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.446 102.0 39.7-108.8 4.9 82.2 76.5 -7.4 388 404 A L S < S- 0 0 9 -3,-0.7 2,-0.4 -4,-0.5 -37,-0.3 -0.948 73.2-136.3-147.4 130.1 79.7 73.9 -6.0 389 405 A E E -p 351 0F 40 -39,-2.2 -37,-1.5 -2,-0.3 2,-0.6 -0.814 21.4-150.9 -89.6 125.5 77.4 71.5 -8.0 390 406 A V E +p 352 0F 3 -2,-0.4 21,-2.5 19,-0.4 22,-0.7 -0.881 16.6 179.1-105.2 109.4 73.8 71.4 -6.4 391 407 A F E -pq 353 412F 0 -39,-2.6 -37,-2.5 -2,-0.6 2,-0.3 -0.751 7.4-163.7 -98.2 165.6 71.8 68.2 -6.8 392 408 A V E +pq 354 413F 0 20,-1.4 22,-2.0 -2,-0.3 2,-0.3 -0.989 8.8 177.6-149.3 152.3 68.3 67.7 -5.3 393 409 A D E + q 0 414F 11 -39,-1.4 -37,-0.2 -2,-0.3 22,-0.1 -0.903 28.7 96.3-146.0 171.1 66.1 64.6 -4.6 394 410 A G S S+ 0 0 8 20,-0.6 -25,-0.2 -2,-0.3 21,-0.0 0.511 88.8 3.7 98.2 123.0 62.6 63.8 -3.1 395 411 A G S S+ 0 0 2 1,-0.2 2,-0.5 -235,-0.0 -234,-0.1 0.390 74.2 153.5 61.1 26.1 59.3 63.3 -4.9 396 412 A V + 0 0 0 18,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.597 5.9 144.7 -74.7 105.0 60.5 63.5 -8.5 397 413 A R + 0 0 19 -2,-0.5 -272,-0.5 1,-0.2 2,-0.4 0.486 52.7 47.9-127.3 -13.2 58.1 61.5 -10.6 398 414 A R S >> S- 0 0 4 1,-0.1 4,-1.2 -274,-0.1 3,-1.0 -0.948 77.9-115.9-131.9 155.5 57.8 63.2 -14.0 399 415 A G H 3> S+ 0 0 0 -2,-0.4 4,-1.7 1,-0.3 5,-0.1 0.783 115.7 59.6 -56.5 -35.1 60.0 64.7 -16.6 400 416 A T H 3> S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.830 98.8 59.1 -67.9 -25.6 58.6 68.2 -15.9 401 417 A D H <> S+ 0 0 0 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.887 106.7 46.5 -61.0 -49.0 59.8 67.8 -12.2 402 418 A V H X S+ 0 0 0 -4,-1.2 4,-3.1 1,-0.2 -2,-0.2 0.889 111.2 52.0 -62.2 -43.7 63.5 67.4 -13.4 403 419 A L H X S+ 0 0 0 -4,-1.7 4,-3.6 1,-0.2 -1,-0.2 0.918 106.4 53.3 -62.3 -43.5 63.1 70.3 -15.7 404 420 A K H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.886 112.4 45.2 -58.6 -46.7 61.8 72.5 -12.9 405 421 A A H <>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 -2,-0.2 0.856 113.5 49.3 -60.9 -47.3 64.9 71.6 -10.8 406 422 A L H ><5S+ 0 0 9 -4,-3.1 3,-2.6 1,-0.2 -2,-0.2 0.942 108.0 53.6 -62.4 -47.8 67.3 72.1 -13.8 407 423 A C H 3<5S+ 0 0 2 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.842 105.9 55.4 -55.0 -32.9 65.7 75.6 -14.6 408 424 A L T 3<5S- 0 0 15 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.390 129.2 -94.5 -76.7 -3.5 66.4 76.6 -10.9 409 425 A G T < 5S+ 0 0 21 -3,-2.6 -19,-0.4 1,-0.3 -3,-0.2 0.294 74.2 144.2 107.4 -8.2 70.1 75.7 -11.2 410 426 A A < - 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0 0 74 -2,-0.7 2,-0.3 -404,-0.0 -402,-0.2 -0.821 40.8-150.0-134.6 173.3 48.0 77.2 -4.0 873 488 B V E -r 470 0G 31 -404,-2.9 -402,-0.7 -2,-0.3 -2,-0.0 -0.880 27.1-139.3-140.4 116.6 48.8 73.8 -2.8 874 489 B G E -r 471 0G 31 -2,-0.3 -402,-0.2 -404,-0.3 3,-0.1 -0.150 32.2 -86.4 -76.7 174.7 48.3 73.0 1.0 875 490 B V - 0 0 42 -404,-1.7 -1,-0.1 1,-0.1 3,-0.1 -0.606 63.4 -85.1 -71.3 136.1 50.5 71.0 3.3 876 491 B P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.204 57.3-116.8 -39.4 123.6 49.6 67.3 3.0 877 492 B N - 0 0 111 1,-0.1 2,-0.6 -3,-0.1 -405,-0.0 -0.456 33.1 -95.8 -71.1 149.3 46.7 67.2 5.6 878 493 B D > - 0 0 45 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.566 30.7-163.6 -69.7 107.7 47.3 65.0 8.7 879 494 B V H > S+ 0 0 71 -2,-0.6 4,-2.8 -729,-0.4 3,-0.5 0.951 85.7 46.4 -56.9 -67.6 45.8 61.5 8.4 880 495 B L H > S+ 0 0 104 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.837 115.8 48.6 -46.8 -34.6 45.9 60.3 12.1 881 496 B Y H > S+ 0 0 148 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.904 114.7 40.5 -79.9 -33.9 44.4 63.6 13.2 882 497 B N H < S+ 0 0 71 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.843 112.5 58.9 -80.1 -28.6 41.6 63.9 10.8 883 498 B E H < S+ 0 0 142 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.995 110.1 36.2 -67.3 -69.2 40.8 60.2 11.1 884 499 B V H < S+ 0 0 127 -4,-1.2 -1,-0.2 -5,-0.2 2,-0.2 0.771 100.8 100.9 -55.4 -25.9 40.0 59.8 14.8 885 500 B Y < - 0 0 122 -4,-0.8 2,-0.4 -5,-0.2 -4,-0.0 -0.529 56.0-165.0 -65.0 133.7 38.4 63.3 14.7 886 501 B E - 0 0 170 -2,-0.2 3,-0.1 3,-0.0 -3,-0.1 -0.971 9.3-143.7-120.4 127.9 34.6 63.5 14.6 887 502 B G - 0 0 30 -2,-0.4 -410,-0.0 1,-0.1 -1,-0.0 -0.131 35.8 -71.1 -82.2-177.5 32.7 66.6 13.6 888 503 B P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.273 50.5-142.8 -51.7-171.1 29.4 68.0 15.0 889 504 B T - 0 0 125 -3,-0.1 -410,-0.1 -407,-0.0 3,-0.1 -0.965 6.7-119.1-160.2 144.4 26.1 66.2 14.0 890 505 B L - 0 0 85 -2,-0.3 2,-0.6 1,-0.1 -411,-0.0 -0.076 46.1 -77.0 -80.0-178.6 22.5 67.3 13.2 891 506 B T - 0 0 135 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.778 44.0-141.5 -88.5 119.4 19.3 66.4 15.0 892 507 B E - 0 0 189 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.707 25.1-116.7 -41.1 -62.2 18.3 62.8 14.2 893 508 B F - 0 0 195 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.950 43.4 -96.2 133.7-141.3 14.5 62.6 13.8 894 509 B E - 0 0 190 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.415 36.0 -38.8-145.7-145.6 12.4 60.4 16.1 895 510 B D 0 0 64 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.688 360.0 360.0 -61.4-133.1 10.4 57.5 17.5 896 511 B A 0 0 136 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.986 360.0 360.0-119.5 360.0 8.1 55.4 15.4