==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-FEB-07 2OZ0 . COMPND 2 MOLECULE: CYTOCHROME B2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.-L.TSAI,K.GOKULAN,P.SOBRADO,J.C.SACCHETTINI, . 888 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 2.9 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 71 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 2 2 2 2 7 5 4 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 6 1 6 7 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 . 1 2 3 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 2 0 0 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 2 A P 0 0 45 0, 0.0 2,-0.2 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0-131.7 -92.3 55.8 42.4 2 3 A K + 0 0 80 27,-0.1 69,-0.3 28,-0.1 27,-0.0 -0.829 360.0 168.5-162.6-172.8 -95.7 55.5 44.2 3 4 A L - 0 0 75 -2,-0.2 2,-2.1 68,-0.0 76,-0.0 0.135 8.6-172.9-172.6 -57.1 -97.6 53.2 46.7 4 5 A D - 0 0 80 1,-0.1 2,-1.6 2,-0.1 28,-0.1 -0.217 14.7-157.9 74.5 -40.4 -100.9 54.4 48.3 5 6 A M - 0 0 90 -2,-2.1 3,-0.1 1,-0.2 -1,-0.1 -0.598 33.5-111.2 75.6 -73.8 -101.6 51.5 50.7 6 7 A N S S+ 0 0 140 -2,-1.6 2,-0.2 1,-0.6 -1,-0.2 -0.213 87.4 48.4 153.7 -49.4 -105.3 52.1 51.1 7 8 A K + 0 0 137 73,-0.1 -1,-0.6 1,-0.0 2,-0.2 -0.594 68.3 68.6-106.3 165.8 -105.4 53.3 54.7 8 9 A Q - 0 0 111 -2,-0.2 2,-0.1 73,-0.1 73,-0.1 -0.685 53.8-150.2 127.5 -62.8 -103.7 55.7 57.1 9 10 A K - 0 0 137 -2,-0.2 2,-0.1 1,-0.1 -2,-0.0 -0.526 19.5-170.8 84.4 176.0 -104.3 59.7 56.6 10 11 A I - 0 0 17 -2,-0.1 74,-2.0 74,-0.1 -1,-0.1 -0.324 10.3 -82.8 152.3 171.4 -101.9 62.6 57.5 11 12 A S >> - 0 0 42 72,-0.2 4,-2.1 -2,-0.1 2,-1.8 -0.845 11.5-148.6-135.4 119.1 -100.7 66.1 58.0 12 13 A P T 34 S+ 0 0 49 0, 0.0 74,-0.1 0, 0.0 79,-0.1 -0.050 108.3 8.1 -48.6 18.8 -99.2 69.6 56.7 13 14 A A T 34 S+ 0 0 53 -2,-1.8 74,-0.1 74,-0.1 0, 0.0 0.246 117.5 69.6-174.9 -1.0 -97.3 70.5 60.0 14 15 A E T X4 S+ 0 0 71 -3,-1.3 3,-0.7 2,-0.2 40,-0.0 0.707 102.9 45.0 -92.6 -27.2 -97.4 67.4 62.3 15 16 A V T 3< S+ 0 0 10 -4,-2.1 3,-0.3 1,-0.2 4,-0.2 0.499 95.0 81.6 -81.4 -5.7 -95.1 65.2 60.1 16 17 A A T 3 S+ 0 0 18 -5,-0.5 2,-0.6 1,-0.3 3,-0.4 0.658 84.0 70.5 -58.9 -14.2 -93.3 68.5 60.2 17 18 A K S < S+ 0 0 144 -3,-0.7 -1,-0.3 1,-0.2 37,-0.1 -0.607 74.9 69.3-109.3 61.2 -92.3 66.8 63.5 18 19 A H + 0 0 24 -2,-0.6 5,-0.4 -3,-0.3 4,-0.3 0.243 57.4 121.2-140.4 -4.3 -90.0 64.0 62.6 19 20 A N + 0 0 72 -3,-0.4 34,-0.3 34,-0.3 33,-0.1 0.516 41.0 105.9 -38.6 -11.7 -87.1 66.1 61.5 20 21 A K S > S- 0 0 135 1,-0.1 3,-3.6 3,-0.1 2,-1.9 -0.677 77.2-132.3 -89.0 107.2 -84.8 64.6 64.2 21 22 A P T 3 S+ 0 0 48 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.171 106.0 58.8 -64.2 63.1 -82.4 62.1 62.1 22 23 A D T 3 S+ 0 0 137 -2,-1.9 2,-0.4 -4,-0.3 -3,-0.1 0.233 113.2 36.3-165.0 -45.7 -83.1 59.4 64.7 23 24 A D S < S+ 0 0 71 -3,-3.6 2,-0.5 -5,-0.4 -3,-0.1 -0.997 85.3 178.1-124.9 102.1 -86.8 59.5 64.0 24 25 A C + 0 0 2 -2,-0.4 11,-2.8 -3,-0.2 12,-0.8 -0.851 15.5 154.9-136.6 109.9 -87.3 60.2 60.3 25 26 A W E +A 34 0A 58 -2,-0.5 29,-1.3 9,-0.3 2,-0.3 -0.920 14.4 179.0-115.4 153.6 -90.4 60.4 58.2 26 27 A V E -A 33 0A 15 7,-2.0 7,-3.3 -2,-0.4 2,-0.4 -0.965 24.5-126.7-148.3 161.8 -90.8 62.2 55.0 27 28 A V E -A 32 0A 10 28,-3.5 2,-0.4 -2,-0.3 31,-0.3 -0.951 24.3-179.1-111.5 127.0 -93.5 62.9 52.3 28 29 A I E > -A 31 0A 10 3,-3.1 3,-2.1 -2,-0.4 55,-0.1 -0.988 59.0 -43.5-129.4 124.7 -92.7 62.2 48.6 29 30 A N T 3 S- 0 0 82 -2,-0.4 54,-0.1 1,-0.3 29,-0.1 -0.195 126.6 -17.8 45.0-145.2 -95.2 62.9 45.8 30 31 A G T 3 S+ 0 0 25 52,-0.1 53,-3.1 -3,-0.1 -1,-0.3 0.795 126.9 72.3 -45.9 -29.9 -98.6 61.7 47.1 31 32 A Y E < -AB 28 82A 0 -3,-2.1 -3,-3.1 51,-0.3 2,-0.3 -0.362 66.3-126.8-121.4 158.5 -97.2 59.6 49.8 32 33 A V E -AB 27 81A 1 49,-1.3 48,-3.6 -5,-0.2 49,-0.7 -0.880 22.8-171.4-115.2 142.3 -95.3 59.1 53.3 33 34 A Y E -AB 26 79A 8 -7,-3.3 -7,-2.0 -2,-0.3 2,-0.8 -0.945 23.8-133.5-135.4 129.3 -92.2 57.2 54.1 34 35 A D E +A 25 0A 24 44,-1.1 -9,-0.3 -2,-0.4 3,-0.2 -0.819 30.0 168.0 -90.3 117.0 -90.3 56.1 57.2 35 36 A L >> + 0 0 27 -11,-2.8 3,-2.8 -2,-0.8 4,-2.0 0.735 43.7 103.3 -89.7 -53.3 -86.5 56.9 56.7 36 37 A T T 34 S+ 0 0 47 -12,-0.8 -1,-0.1 1,-0.3 -11,-0.1 0.503 88.7 47.0 -3.8 -33.8 -84.8 56.5 60.1 37 38 A R T 34 S+ 0 0 70 -3,-0.2 -1,-0.3 -13,-0.2 -2,-0.1 0.692 115.5 36.7 -89.3 -44.8 -83.5 53.1 58.9 38 39 A F T X4 S+ 0 0 42 -3,-2.8 3,-2.1 1,-0.1 -2,-0.2 0.585 91.4 96.5 -91.5 -29.5 -82.0 53.7 55.5 39 40 A L G >< S+ 0 0 4 -4,-2.0 3,-0.7 1,-0.3 -2,-0.1 0.902 83.6 45.1 -21.6 -64.2 -80.7 57.1 56.4 40 41 A P G 3 S+ 0 0 58 0, 0.0 -1,-0.3 0, 0.0 265,-0.1 0.693 112.1 56.2 -72.3 -1.2 -77.2 56.0 57.2 41 42 A N G < S+ 0 0 28 -3,-2.1 267,-0.2 265,-0.1 -2,-0.1 -0.319 71.9 119.3-122.8 44.9 -77.0 53.9 54.2 42 43 A H < - 0 0 32 -3,-0.7 -4,-0.0 1,-0.1 -3,-0.0 -0.881 63.1-124.7-135.0 103.6 -77.8 56.2 51.3 43 44 A P S S+ 0 0 57 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.338 93.7 57.6 -12.7 -57.9 -75.2 56.7 48.5 44 45 A G S S- 0 0 44 1,-0.2 4,-0.2 2,-0.1 2,-0.0 -0.300 128.8 -58.3 -88.6 59.0 -74.5 60.5 48.2 45 46 A G - 0 0 36 -2,-1.2 -1,-0.2 258,-0.1 3,-0.1 0.163 53.2-125.9 65.0 155.9 -73.5 61.4 51.8 46 47 A Q S > S+ 0 0 44 1,-0.2 3,-1.6 257,-0.1 4,-0.2 0.903 97.2 79.7 -96.2 -58.7 -76.3 60.4 54.3 47 48 A D G >> + 0 0 48 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.310 67.0 79.2 19.3 -61.6 -76.3 63.8 55.7 48 49 A V G 34 S+ 0 0 32 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.607 99.5 46.0 -64.6 -12.9 -78.4 65.6 53.0 49 50 A I G <4 S+ 0 0 38 -3,-1.6 3,-0.3 2,-0.2 -1,-0.3 0.591 102.6 57.5-117.2 -12.8 -81.5 64.1 54.6 50 51 A K T X4 S+ 0 0 88 -3,-0.7 3,-2.7 -4,-0.2 2,-0.9 0.950 109.2 53.1 -50.4 -67.1 -80.8 64.8 58.2 51 52 A F T 3< S+ 0 0 168 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.318 121.7 26.9 -61.6 12.5 -80.7 68.4 56.8 52 53 A N T 3 S+ 0 0 51 -2,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 0.232 87.6 144.2-152.6 1.9 -84.1 68.2 55.1 53 54 A A < + 0 0 2 -3,-2.7 -34,-0.3 -34,-0.3 -27,-0.2 -0.053 54.9 35.5 -65.7 158.1 -86.0 65.7 57.1 54 55 A G S S+ 0 0 2 -29,-1.3 2,-0.2 1,-0.2 -28,-0.2 0.934 104.8 93.2 64.0 47.9 -89.7 65.8 57.9 55 56 A K S S- 0 0 36 -30,-0.2 -28,-3.5 -3,-0.1 2,-0.4 -0.844 82.8 -89.0-142.5 178.0 -90.6 67.4 54.5 56 57 A D + 0 0 19 35,-0.5 37,-1.9 -2,-0.2 -28,-0.1 -0.863 41.9 164.7 -91.4 132.4 -91.6 67.4 50.9 57 58 A V >> + 0 0 17 -2,-0.4 3,-3.1 35,-0.4 4,-2.0 -0.620 29.4 125.3 127.3 -47.8 -88.5 67.1 49.2 58 59 A T H 3> S+ 0 0 28 -31,-0.3 4,-1.8 1,-0.3 -30,-0.1 0.989 73.2 63.4 -42.7 -35.0 -89.9 66.2 45.8 59 60 A A H 34 S+ 0 0 28 34,-0.3 -1,-0.3 1,-0.2 37,-0.2 0.672 113.3 35.1 -43.2 -40.9 -87.9 69.2 44.5 60 61 A I H <4 S+ 0 0 30 -3,-3.1 4,-0.2 35,-0.2 -1,-0.2 0.879 123.0 36.6 -91.9 -48.2 -84.8 67.3 45.6 61 62 A F H >X S+ 0 0 35 -4,-2.0 3,-1.9 1,-0.2 4,-0.8 0.958 105.6 65.6 -73.3 -45.0 -85.5 63.6 45.0 62 63 A E G >< S+ 0 0 78 -4,-1.8 3,-0.5 -5,-0.4 -1,-0.2 0.780 100.8 41.8 -55.1 -56.0 -87.5 63.7 41.8 63 64 A P G 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.483 119.9 39.4 -81.1 15.1 -85.0 65.0 39.3 64 65 A L G <4 S+ 0 0 43 -3,-1.9 2,-0.3 -4,-0.2 -2,-0.2 0.472 97.4 76.0-142.9 6.1 -81.9 63.0 40.3 65 66 A H S << S- 0 0 61 -4,-0.8 166,-0.1 -3,-0.5 165,-0.0 -0.880 77.7 -96.0-117.8 166.1 -82.9 59.4 41.3 66 67 A A - 0 0 21 -2,-0.3 3,-0.2 164,-0.3 -1,-0.1 0.143 35.5-121.1 -78.6 145.8 -83.9 56.2 39.7 67 68 A P S > S+ 0 0 57 0, 0.0 2,-1.2 0, 0.0 3,-0.6 0.897 103.6 43.3 -60.3 -75.8 -87.5 55.4 39.3 68 69 A N T 3 S+ 0 0 43 1,-0.3 5,-0.1 3,-0.1 4,-0.1 0.124 82.2 124.1 -44.5 17.0 -88.3 52.1 41.1 69 70 A V T 3> S+ 0 0 18 -2,-1.2 4,-1.4 2,-0.2 3,-0.4 0.798 72.1 37.7 -49.6 -53.3 -86.1 53.5 43.9 70 71 A I H X> S+ 0 0 16 -3,-0.6 4,-2.2 1,-0.2 3,-1.5 0.967 115.3 51.6 -65.3 -76.4 -88.6 53.2 46.7 71 72 A D H 34 S+ 0 0 92 -69,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.255 117.2 43.3 -46.7 15.3 -90.2 50.0 45.7 72 73 A K H 34 S+ 0 0 104 -2,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.724 121.5 30.1-123.6 -42.6 -86.7 48.4 45.5 73 74 A Y H << S+ 0 0 84 -3,-1.5 2,-0.3 -4,-1.4 -2,-0.2 0.460 108.6 67.7-108.9 -13.8 -84.8 49.7 48.7 74 75 A I S < S- 0 0 21 -4,-2.2 -39,-0.1 -5,-0.1 -41,-0.0 -0.876 79.7-114.5-114.1 146.9 -87.6 50.1 51.2 75 76 A A >> - 0 0 43 -2,-0.3 3,-2.1 1,-0.1 4,-1.0 -0.548 35.9-107.3 -73.2 144.8 -89.9 47.5 53.0 76 77 A P T 34 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.488 115.3 53.8 -56.9 -9.2 -93.8 47.7 52.2 77 78 A E T 34 S+ 0 0 134 1,-0.1 3,-0.0 -43,-0.0 -2,-0.0 0.053 94.3 62.0-119.7 13.2 -94.6 49.2 55.7 78 79 A K T <4 S+ 0 0 41 -3,-2.1 2,-1.2 -45,-0.0 -44,-1.1 0.665 84.1 87.3-100.5 -28.5 -92.3 52.2 55.7 79 80 A K E < S+B 33 0A 10 -4,-1.0 -46,-0.2 -46,-0.2 -76,-0.0 -0.475 71.6 175.2 -59.6 76.3 -94.5 53.1 52.8 80 81 A L E - 0 0 34 -48,-3.6 -1,-0.2 -2,-1.2 -47,-0.2 0.975 33.2 -76.6 -69.4 -62.2 -96.8 54.6 55.4 81 82 A G E -B 32 0A 0 -49,-0.7 -49,-1.3 -3,-0.2 -1,-0.2 -0.872 55.5 -50.7 165.0 161.0 -99.8 56.4 53.8 82 83 A P E -B 31 0A 24 0, 0.0 2,-0.4 0, 0.0 -51,-0.3 -0.006 38.9-121.4 -47.1 144.1 -100.9 59.7 51.8 83 84 A L - 0 0 41 -53,-3.1 2,-0.5 -54,-0.1 -72,-0.2 -0.799 23.5-152.6 -81.9 136.1 -100.4 63.4 52.5 84 85 A Q S S- 0 0 104 -74,-2.0 2,-0.3 -2,-0.4 -74,-0.1 -0.954 74.8 -8.2-116.6 113.4 -103.8 65.2 52.7 85 86 A G S S- 0 0 55 -2,-0.5 2,-0.1 -74,-0.1 -2,-0.0 -0.712 97.0-102.7 67.8-167.2 -103.4 68.8 51.7 86 87 A S - 0 0 80 -2,-0.3 -2,-0.2 -74,-0.1 6,-0.0 0.052 37.4 -87.5-119.4-127.9 -99.7 69.6 51.2 87 88 A M - 0 0 23 -2,-0.1 -74,-0.1 -4,-0.1 3,-0.1 -0.964 41.9 -93.5-152.1 157.8 -97.2 71.5 53.5 88 89 A P > - 0 0 78 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.488 55.9 -81.2 -86.2 140.4 -96.3 75.3 53.8 89 90 A P T 3 S+ 0 0 100 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.009 122.0 28.3 -61.8 115.3 -93.2 76.8 51.8 90 91 A E T 3 S+ 0 0 143 2,-0.7 0, 0.0 -3,-0.1 0, 0.0 -0.835 117.1 67.1 69.5 -40.5 -89.8 76.3 53.2 91 92 A L S < S+ 0 0 52 -3,-2.1 -35,-0.5 2,-0.1 2,-0.3 0.209 97.6 56.8 -85.6 14.0 -91.6 73.2 54.6 92 93 A V S S- 0 0 58 -4,-0.1 -2,-0.7 -37,-0.1 -35,-0.4 -0.913 106.5-112.0-132.6 125.6 -91.8 72.0 51.0 93 94 A C - 0 0 10 -37,-1.9 -34,-0.3 -2,-0.3 -36,-0.1 -0.358 15.2-149.1 -76.8 117.2 -88.2 71.9 49.6 94 95 A P - 0 0 87 0, 0.0 3,-0.1 0, 0.0 -34,-0.1 -0.668 44.4-109.7 -65.7 137.0 -86.8 74.1 47.0 95 96 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.075 42.4 -44.7 -89.6-166.2 -84.1 71.9 45.2 96 97 A Y + 0 0 76 -37,-0.2 -3,-0.0 -36,-0.1 -36,-0.0 -0.684 56.5 131.0-144.7 79.0 -81.0 71.7 44.9 97 98 A A > - 0 0 46 -2,-0.3 3,-3.8 -3,-0.1 40,-0.1 -0.306 27.1-171.0-124.2 40.8 -78.5 74.2 44.2 98 99 A P T 3 S- 0 0 24 0, 0.0 40,-0.4 0, 0.0 200,-0.1 -0.192 86.9 -1.8 -50.4 131.5 -75.6 73.9 46.6 99 100 A G T 3 S+ 0 0 31 198,-0.4 2,-0.1 195,-0.2 199,-0.1 0.378 99.6 141.2 66.4 3.7 -73.5 77.0 45.9 100 101 A E < + 0 0 27 -3,-3.8 -1,-0.2 1,-0.1 -3,-0.1 -0.358 25.1 179.9 -88.2 149.3 -75.9 78.3 43.1 101 102 A T - 0 0 61 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.416 61.0 -76.8-152.4 46.2 -76.6 82.1 42.8 102 103 A K S S+ 0 0 159 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.729 111.0 104.7 39.7 63.4 -78.9 83.3 40.0 103 104 A E > + 0 0 37 2,-0.0 2,-3.1 3,-0.0 4,-3.1 0.114 35.0 103.5-165.2 -22.5 -75.8 82.7 38.0 104 105 A D T 4 S+ 0 0 77 2,-0.2 30,-0.0 3,-0.2 -4,-0.0 -0.562 83.7 59.1 -61.3 64.6 -77.3 79.7 36.6 105 106 A I T > S+ 0 0 86 -2,-3.1 4,-2.9 -3,-0.1 5,-0.5 -0.259 93.9 51.6-177.9 -47.3 -77.5 82.3 33.9 106 107 A A H > S+ 0 0 52 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.981 126.8 36.5 -51.2 -48.4 -73.9 83.2 33.5 107 108 A R H >X S+ 0 0 30 -4,-3.1 4,-2.6 2,-0.2 3,-1.2 0.957 118.4 47.8 -58.1 -65.6 -74.4 79.4 33.2 108 109 A K H 3> S+ 0 0 126 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.909 115.1 44.3 -47.8 -46.9 -77.8 79.3 31.4 109 110 A E H 3< S+ 0 0 95 -4,-2.9 -1,-0.3 2,-0.3 -2,-0.2 0.568 109.1 56.7 -98.4 1.4 -76.8 81.7 28.8 110 111 A Q H X S+ 0 0 65 -4,-2.6 2,-1.4 3,-0.2 4,-0.6 0.807 86.6 123.1 -54.7 -26.1 -75.2 76.9 27.6 112 113 A K H 3< S- 0 0 117 -4,-1.4 -1,-0.2 1,-0.4 -3,-0.1 0.036 111.3 -85.8 -33.6 57.2 -77.1 79.6 25.6 113 114 A S H 34 S+ 0 0 115 -2,-1.4 -1,-0.4 1,-0.1 -2,-0.2 0.960 109.2 128.4 8.8 48.3 -76.3 77.5 22.6 114 115 A L H << + 0 0 98 -4,-1.1 -3,-0.2 -3,-0.6 -2,-0.2 0.626 41.4 101.5-101.9 -8.6 -73.3 79.8 23.3 115 116 A L S < S- 0 0 24 -4,-0.6 3,-0.1 -5,-0.4 -4,-0.0 -0.490 87.2-103.6 -67.8 140.5 -71.6 76.8 23.1 116 117 A P - 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0 0 1 -5,-1.1 -1,-0.3 -279,-0.1 -2,-0.2 -0.976 46.3-162.0-149.3 170.3 -11.4 70.9 18.9 849 468 B T S S+ 0 0 36 -2,-0.3 -274,-4.2 1,-0.3 2,-0.4 0.678 70.9 50.6-132.8 -24.3 -10.7 72.5 15.4 850 469 B S B >> S-r 575 0I 38 -276,-0.2 4,-0.8 1,-0.1 3,-0.8 -0.972 75.4-127.2-119.1 136.7 -12.3 70.2 12.7 851 470 B I G >4 S+ 0 0 17 -276,-0.9 3,-0.8 -2,-0.4 -275,-0.1 0.828 114.1 64.8 -46.4 -29.5 -15.7 68.9 12.6 852 471 B A G 34 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.0 -276,-0.0 0.983 92.7 59.2 -68.6 -34.5 -13.9 65.6 12.2 853 472 B E G <4 S+ 0 0 80 -3,-0.8 2,-2.7 1,-0.2 -1,-0.2 0.719 77.9 103.9 -55.9 -20.2 -12.4 66.0 15.7 854 473 B L << + 0 0 6 -4,-0.8 -1,-0.2 -3,-0.8 -3,-0.1 -0.030 49.1 156.5 -61.8 62.9 -16.0 66.1 17.1 855 474 B K > - 0 0 139 -2,-2.7 3,-1.0 1,-0.2 -51,-0.1 -0.368 54.4-105.0 -91.9 165.1 -16.2 62.6 18.6 856 475 B P G > S+ 0 0 65 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.653 104.4 82.3 -55.4 -33.2 -18.4 61.5 21.4 857 476 B D G 3 S+ 0 0 125 1,-0.3 -52,-0.1 -53,-0.1 -3,-0.0 0.732 82.3 69.7 -55.0 -8.5 -15.9 61.4 24.2 858 477 B L G < S+ 0 0 5 -3,-1.0 -294,-1.1 -54,-0.2 2,-0.4 0.235 90.0 85.2 -84.3 14.8 -16.4 65.0 24.4 859 478 B L E < -Q 563 0H 7 -3,-2.4 2,-1.2 -296,-0.3 -296,-0.3 -0.936 68.8-143.6-127.6 129.6 -19.9 64.4 25.8 860 479 B D E +Q 562 0H 53 -298,-4.2 -298,-2.8 -2,-0.4 3,-0.2 -0.764 35.5 163.1 -81.0 113.1 -21.3 63.7 29.2 861 480 B L + 0 0 60 -2,-1.2 3,-0.3 -300,-0.2 4,-0.2 -0.083 35.6 107.3-118.3 20.0 -23.9 61.4 28.1 862 481 B S S S+ 0 0 95 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.497 83.0 42.5 -75.6 -15.3 -24.7 59.8 31.4 863 482 B T S > S+ 0 0 64 -303,-0.6 3,-3.3 -3,-0.2 -1,-0.2 0.230 75.6 120.4-111.2 -1.0 -28.0 61.4 31.8 864 483 B L T 3 S+ 0 0 19 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.923 78.3 43.9 -34.2 -40.9 -29.1 61.0 28.3 865 484 B K T 3 S+ 0 0 103 -4,-0.2 2,-3.2 1,-0.1 -1,-0.3 0.339 73.5 118.9 -99.7 25.1 -32.0 58.9 29.4 866 485 B A < + 0 0 50 -3,-3.3 2,-1.1 -306,-0.1 -1,-0.1 -0.417 30.7 147.1 -80.2 69.4 -33.2 61.1 32.2 867 486 B R + 0 0 9 -2,-3.2 2,-0.2 -705,-0.1 -399,-0.2 -0.696 27.3 171.3-111.6 87.5 -36.4 61.6 30.6 868 487 B T - 0 0 75 -2,-1.1 2,-0.4 -401,-0.1 -399,-0.1 -0.528 36.4-154.3-103.4 160.9 -38.7 61.8 33.5 869 488 B V E -o 469 0F 28 -401,-2.0 -399,-1.7 -2,-0.2 -707,-0.1 -0.955 27.7-148.0-124.7 106.7 -42.3 62.6 34.4 870 489 B G E -o 470 0F 34 -2,-0.4 -399,-0.2 -401,-0.3 3,-0.1 -0.315 25.5 -90.4 -73.5 167.4 -42.6 63.8 38.0 871 490 B V - 0 0 28 -401,-2.6 -399,-0.2 1,-0.1 -1,-0.1 -0.464 55.1 -82.8 -83.0 146.2 -45.6 63.2 40.3 872 491 B P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.232 55.9-121.4 -60.1 109.3 -48.4 65.8 40.4 873 492 B N - 0 0 109 1,-0.1 2,-0.6 -3,-0.1 -402,-0.0 0.288 33.1 -89.0 -68.9 171.1 -47.0 68.2 42.7 874 493 B D > - 0 0 53 1,-0.2 4,-1.0 -3,-0.1 5,-0.2 -0.974 37.9-175.4-108.2 100.9 -49.1 68.9 45.9 875 494 B V H > S+ 0 0 76 -2,-0.6 4,-2.3 -726,-0.3 -1,-0.2 0.914 81.3 51.3 -68.5 -47.7 -51.5 71.7 45.4 876 495 B L H > S+ 0 0 82 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.873 115.8 38.9 -64.3 -51.2 -52.8 71.9 48.8 877 496 B Y H > S+ 0 0 144 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.665 115.5 50.9 -79.9 -17.6 -49.4 72.1 50.4 878 497 B N H < S+ 0 0 92 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.912 105.3 56.6 -90.1 -36.2 -47.8 74.4 47.9 879 498 B E H < S+ 0 0 145 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.852 116.5 34.8 -49.1 -48.5 -50.5 76.8 48.0 880 499 B V H < S+ 0 0 107 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.746 97.7 92.8 -84.4 -31.7 -50.2 77.2 51.8 881 500 B Y < - 0 0 122 -4,-1.5 2,-0.4 -5,-0.1 -4,-0.0 -0.311 61.1-161.8 -61.9 152.7 -46.5 76.9 52.0 882 501 B E - 0 0 164 3,-0.0 3,-0.1 0, 0.0 -3,-0.1 -0.978 7.1-128.7-144.9 141.1 -44.7 80.1 51.9 883 502 B G - 0 0 30 -2,-0.4 -407,-0.0 1,-0.2 0, 0.0 -0.112 27.8 -84.6 -94.7 172.3 -41.2 80.8 51.2 884 503 B P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.090 50.1-140.6 -55.9 161.1 -38.3 82.7 52.5 885 504 B T - 0 0 113 -3,-0.1 2,-0.4 -404,-0.0 3,-0.1 -0.889 9.9-107.2-130.1 155.9 -38.3 86.3 51.5 886 505 B L - 0 0 67 -2,-0.3 -408,-0.0 2,-0.1 0, 0.0 -0.752 44.9 -96.5 -93.1 143.2 -35.7 88.9 50.4 887 506 B T - 0 0 147 -2,-0.4 -1,-0.1 1,-0.0 0, 0.0 0.254 47.0-125.1 -45.1 160.6 -34.6 91.8 52.7 888 507 B E - 0 0 161 -3,-0.1 2,-0.1 1,-0.0 -2,-0.1 0.988 8.1-120.8 -85.8 -77.4 -36.5 94.9 52.0 889 508 B F - 0 0 209 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.195 48.5 -70.3 110.6 153.1 -35.5 98.4 51.2 890 509 B E 0 0 181 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.319 360.0 360.0 -89.1 167.2 -36.6 101.4 53.4 891 510 B D 0 0 217 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.072 360.0 360.0 42.9 360.0 -39.4 103.6 54.5