==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-MAY-09 3HF3 . COMPND 2 MOLECULE: CHROMATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS SCOTODUCTUS; . AUTHOR D.J.OPPERMAN,B.T.SEWELL,D.LITTHAUER,M.N.ISUPOV, . 1392 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 940 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 86 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 375 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.3 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 3 3 4 0 4 4 0 4 4 6 4 0 1 0 1 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 13 8 5 8 4 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 . 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 0 0 4 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 64 0, 0.0 3,-1.1 0, 0.0 333,-0.0 0.000 360.0 360.0 360.0 98.5 18.6 -45.8 15.2 2 3 A L G > + 0 0 58 1,-0.3 3,-1.8 2,-0.2 15,-0.1 0.804 360.0 65.8 -70.2 -34.6 20.3 -44.0 18.1 3 4 A L G 3 S+ 0 0 0 1,-0.3 14,-3.2 13,-0.1 -1,-0.3 0.804 109.8 40.1 -49.8 -40.2 22.9 -42.3 15.8 4 5 A F G < S+ 0 0 36 -3,-1.1 -1,-0.3 12,-0.2 -2,-0.2 0.066 93.3 105.6-104.2 26.5 20.0 -40.4 14.3 5 6 A T S < S- 0 0 57 -3,-1.8 9,-0.1 1,-0.1 -3,-0.0 -0.823 80.8-101.2 -99.3 137.2 18.1 -39.7 17.5 6 7 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.212 32.3-147.0 -56.2 152.8 18.3 -36.2 18.9 7 8 A L E -A 14 0A 9 7,-2.2 7,-3.1 9,-0.3 2,-0.5 -0.987 3.0-144.2-130.8 114.1 20.7 -35.6 21.8 8 9 A E E +A 13 0A 72 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.734 27.0 165.4 -77.1 125.6 19.9 -33.0 24.6 9 10 A L E > -A 12 0A 5 3,-1.9 3,-3.1 -2,-0.5 -2,-0.0 -0.970 64.3 -33.6-136.7 149.3 23.0 -31.2 25.9 10 11 A G T 3 S- 0 0 27 -2,-0.3 208,-0.2 1,-0.3 209,-0.2 -0.219 124.9 -34.6 33.2-118.2 22.8 -28.1 28.0 11 12 A G T 3 S+ 0 0 22 207,-3.4 -1,-0.3 -3,-0.1 2,-0.2 0.188 122.4 97.1-105.9 13.0 19.7 -26.4 26.7 12 13 A L E < -A 9 0A 16 -3,-3.1 -3,-1.9 206,-0.4 2,-0.4 -0.671 60.4-149.3 -93.0 162.3 20.3 -27.5 23.1 13 14 A R E -A 8 0A 86 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.952 12.4-149.9-127.2 111.3 19.0 -30.4 21.1 14 15 A L E -A 7 0A 0 -7,-3.1 -7,-2.2 -2,-0.4 38,-0.1 -0.611 17.0-134.7 -74.4 133.2 21.5 -31.8 18.5 15 16 A K S S- 0 0 74 -2,-0.3 2,-0.3 36,-0.2 -1,-0.1 0.720 82.5 -2.3 -69.7 -14.8 19.4 -33.2 15.7 16 17 A N S S- 0 0 5 2,-0.2 -9,-0.3 -9,-0.1 -12,-0.2 -0.887 76.8-100.1-157.1-176.9 21.6 -36.3 15.7 17 18 A R S S+ 0 0 38 -14,-3.2 297,-2.7 -2,-0.3 2,-0.5 0.134 81.6 103.5-104.7 23.3 24.7 -37.9 17.3 18 19 A L E +b 314 0B 0 -15,-0.2 33,-1.8 31,-0.2 34,-1.4 -0.904 44.8 179.4-103.5 130.7 27.3 -37.1 14.7 19 20 A A E -bc 315 52B 0 295,-2.4 297,-2.4 -2,-0.5 2,-0.7 -0.909 31.0-121.2-121.6 145.5 29.7 -34.3 15.3 20 21 A M E -bc 316 53B 0 32,-2.3 34,-2.2 -2,-0.3 297,-0.2 -0.861 34.9-131.8 -81.7 112.5 32.6 -33.1 13.1 21 22 A S - 0 0 6 295,-2.3 2,-0.2 -2,-0.7 35,-0.1 -0.300 32.3 -88.5 -56.5 149.5 35.7 -33.4 15.1 22 23 A P + 0 0 15 0, 0.0 2,-0.4 0, 0.0 33,-0.1 -0.432 50.2 178.7 -63.2 133.5 38.1 -30.4 15.2 23 24 A M - 0 0 27 31,-0.3 33,-0.3 -2,-0.2 -3,-0.0 -0.874 27.0-127.3-142.4 107.9 40.6 -30.5 12.4 24 25 A C - 0 0 29 -2,-0.4 46,-0.1 1,-0.1 34,-0.1 -0.158 21.1-175.6 -44.7 136.2 43.2 -27.8 11.8 25 26 A Q - 0 0 0 44,-0.1 -1,-0.1 1366,-0.0 45,-0.1 0.495 22.4-145.3-114.5 -14.4 43.1 -26.4 8.2 26 27 A Y + 0 0 27 1,-0.1 44,-0.2 41,-0.1 85,-0.1 0.887 67.6 113.2 48.9 46.0 46.2 -24.1 8.3 27 28 A S + 0 0 12 42,-0.5 10,-0.3 2,-0.1 11,-0.2 0.144 37.2 110.8-137.6 14.8 44.3 -21.8 6.0 28 29 A A S S- 0 0 5 41,-2.8 6,-0.2 1,-0.2 43,-0.1 -0.363 76.8 -91.1 -78.3 171.7 43.6 -18.7 8.1 29 30 A T > - 0 0 46 4,-2.0 3,-2.1 -2,-0.1 -1,-0.2 -0.363 43.6 -99.0 -70.3 170.4 45.3 -15.4 7.3 30 31 A L T 3 S+ 0 0 79 1,-0.3 40,-0.1 2,-0.2 -1,-0.1 0.704 128.0 56.3 -65.1 -21.1 48.5 -14.6 9.1 31 32 A E T 3 S- 0 0 40 38,-0.1 -1,-0.3 2,-0.1 38,-0.1 0.236 125.7-105.6 -95.0 12.5 46.5 -12.5 11.6 32 33 A G < + 0 0 1 -3,-2.1 40,-2.4 36,-0.3 2,-0.2 0.685 67.0 155.3 80.1 21.6 44.4 -15.6 12.3 33 34 A E - 0 0 80 38,-0.2 -4,-2.0 1,-0.1 -1,-0.2 -0.574 50.0-104.1 -86.5 145.6 41.3 -14.6 10.4 34 35 A V - 0 0 20 -2,-0.2 2,-0.2 44,-0.2 -1,-0.1 -0.302 44.6-167.6 -55.2 133.5 38.7 -16.9 8.8 35 36 A T >> - 0 0 37 46,-0.1 4,-1.6 -6,-0.0 3,-0.7 -0.724 40.8 -85.8-121.2-178.9 39.1 -17.0 5.0 36 37 A D H 3> S+ 0 0 90 -2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.748 121.1 69.5 -57.8 -30.9 37.0 -18.3 2.1 37 38 A W H >> S+ 0 0 46 -10,-0.3 4,-3.1 1,-0.2 3,-0.6 0.953 104.2 39.9 -52.5 -48.4 38.6 -21.8 2.7 38 39 A H H <> S+ 0 0 0 -3,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.882 108.9 60.7 -71.1 -37.9 36.7 -22.1 6.0 39 40 A L H 3< S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.757 117.2 32.6 -66.2 -18.8 33.5 -20.6 4.6 40 41 A L H S+ 0 0 4 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.861 104.9 62.9 -63.2 -29.6 29.2 -25.4 5.6 44 45 A T H X S+ 0 0 1 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.954 106.4 42.6 -54.2 -49.0 29.9 -28.3 3.2 45 46 A R H <>S+ 0 0 1 -4,-1.2 5,-1.2 -3,-0.2 4,-0.3 0.819 111.7 56.7 -71.5 -25.4 30.0 -30.7 6.2 46 47 A A H ><5S+ 0 0 1 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.949 107.7 44.8 -67.4 -49.6 26.9 -29.0 7.6 47 48 A L H 3<5S+ 0 0 20 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.809 104.3 71.2 -55.4 -28.7 24.9 -29.7 4.4 48 49 A G T 3<5S- 0 0 0 -4,-1.1 280,-1.4 -5,-0.3 -1,-0.3 0.648 118.1-106.1 -67.4 -12.6 26.5 -33.1 4.8 49 50 A G T < 5 + 0 0 9 -3,-1.7 -31,-0.2 1,-0.3 -3,-0.2 0.370 65.8 143.3 110.7 -13.3 24.3 -33.9 7.9 50 51 A V < - 0 0 0 -5,-1.2 -1,-0.3 1,-0.2 -31,-0.2 -0.433 43.7-143.6 -61.1 148.4 26.3 -33.7 11.1 51 52 A G S S+ 0 0 2 -33,-1.8 44,-2.9 1,-0.2 2,-0.4 0.759 84.3 29.4 -76.9 -29.6 24.3 -32.3 14.0 52 53 A L E -cd 19 95B 0 -34,-1.4 -32,-2.3 42,-0.2 2,-0.5 -0.999 63.9-161.4-135.7 132.0 27.3 -30.5 15.4 53 54 A I E -cd 20 96B 0 42,-2.9 44,-3.2 -2,-0.4 2,-0.8 -0.983 7.5-158.7-108.8 125.3 30.4 -29.0 13.9 54 55 A L E - d 0 97B 0 -34,-2.2 -31,-0.3 -2,-0.5 44,-0.3 -0.896 21.4-134.1 -97.9 109.4 33.4 -28.3 16.1 55 56 A V E - d 0 98B 0 42,-2.8 44,-1.9 -2,-0.8 3,-0.2 -0.373 35.4 -90.7 -62.4 136.8 35.6 -25.7 14.4 56 57 A E E - 0 0 0 -33,-0.3 43,-0.5 1,-0.2 -1,-0.1 0.150 66.0 -52.4 -42.1 167.0 39.3 -26.6 14.5 57 58 A A E - 0 0 8 41,-0.1 14,-0.5 43,-0.1 2,-0.5 -0.153 57.8-163.4 -49.7 129.0 41.8 -25.6 17.3 58 59 A T E -ed 71 100B 0 41,-1.9 43,-2.6 -3,-0.2 14,-0.2 -0.976 18.2-125.5-130.1 111.2 41.5 -21.8 17.6 59 60 A A E -ed 72 101B 1 12,-2.4 14,-2.3 -2,-0.5 15,-0.4 -0.431 9.8-156.4 -71.7 138.2 44.4 -20.2 19.4 60 61 A V S S+ 0 0 3 41,-1.9 -1,-0.1 12,-0.2 42,-0.1 0.597 83.2 21.4 -95.1 -2.6 43.6 -18.0 22.4 61 62 A E S > S- 0 0 20 40,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.985 84.2-110.4-157.6 153.9 46.8 -16.1 22.0 62 63 A P G > S+ 0 0 56 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.878 119.1 48.6 -55.4 -38.0 49.3 -15.6 19.2 63 64 A L G 3 S+ 0 0 49 1,-0.2 61,-0.3 44,-0.1 44,-0.1 0.521 100.9 67.8 -76.4 -12.8 52.0 -17.8 20.8 64 65 A G G < S+ 0 0 3 -3,-1.7 39,-2.1 39,-0.1 -1,-0.2 0.381 78.6 110.8 -82.9 0.4 49.4 -20.5 21.4 65 66 A R < - 0 0 34 -3,-1.1 43,-1.2 -4,-0.2 -7,-0.1 -0.452 59.9-151.8 -73.3 150.8 49.1 -21.2 17.7 66 67 A I S S+ 0 0 14 41,-0.2 43,-2.7 1,-0.2 42,-0.6 0.920 84.2 11.1 -73.5 -60.6 50.4 -24.3 16.1 67 68 A S S > S- 0 0 0 41,-0.2 3,-1.3 40,-0.1 -1,-0.2 -0.685 78.7-110.6-114.4 167.4 51.0 -22.6 12.7 68 69 A P T 3 S+ 0 0 25 0, 0.0 -36,-0.3 0, 0.0 42,-0.1 0.467 119.1 54.8 -70.7 -0.7 51.1 -19.0 11.5 69 70 A Y T 3 S+ 0 0 61 -38,-0.1 -41,-2.8 -37,-0.1 -42,-0.5 0.160 80.4 123.0-120.9 16.6 47.9 -19.9 9.6 70 71 A D S < S- 0 0 3 -3,-1.3 2,-0.1 -44,-0.2 -12,-0.1 -0.361 72.1 -99.3 -69.7 151.1 45.9 -21.2 12.5 71 72 A L E -e 58 0B 0 -14,-0.5 -12,-2.4 -43,-0.1 2,-0.3 -0.497 45.6-159.3 -61.5 140.4 42.5 -19.6 13.3 72 73 A G E -e 59 0B 1 -40,-2.4 -12,-0.2 -14,-0.2 -38,-0.1 -0.883 29.0-179.3-118.6 165.2 42.8 -17.1 16.2 73 74 A I + 0 0 0 -14,-2.3 -13,-0.1 -2,-0.3 86,-0.1 0.201 54.8 107.3-143.9 23.1 40.5 -15.6 18.7 74 75 A W S S+ 0 0 63 -15,-0.4 2,-0.3 3,-0.0 -14,-0.1 0.603 76.8 59.6 -80.8 -2.6 42.8 -13.3 20.7 75 76 A S S > S- 0 0 33 1,-0.1 3,-2.4 81,-0.0 4,-0.4 -0.946 74.0-133.8-136.0 145.8 41.2 -10.2 19.1 76 77 A E G > S+ 0 0 76 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.769 107.6 67.9 -62.4 -24.4 37.9 -8.5 18.7 77 78 A D G 3 S+ 0 0 78 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.566 87.4 65.7 -76.3 -5.3 38.8 -8.2 15.1 78 79 A H G <> S+ 0 0 9 -3,-2.4 4,-2.2 1,-0.1 5,-0.3 0.675 83.2 83.7 -80.5 -14.9 38.4 -11.9 14.8 79 80 A L H <> S+ 0 0 23 -3,-1.4 4,-2.9 -4,-0.4 5,-0.3 0.889 82.8 51.8 -60.8 -50.0 34.7 -11.5 15.5 80 81 A P H > S+ 0 0 86 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.927 114.3 42.2 -56.5 -49.1 33.4 -10.7 12.0 81 82 A G H > S+ 0 0 24 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.906 118.5 46.1 -62.6 -41.4 35.0 -13.7 10.3 82 83 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.843 111.5 50.8 -68.2 -38.7 34.0 -16.0 13.2 83 84 A K H X S+ 0 0 59 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.918 110.7 50.0 -68.4 -36.1 30.5 -14.7 13.3 84 85 A E H X S+ 0 0 56 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.866 110.5 50.5 -68.0 -37.7 30.2 -15.2 9.6 85 86 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.893 110.6 47.0 -68.5 -42.7 31.5 -18.8 9.9 86 87 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 77,-0.2 -1,-0.2 0.871 110.7 55.0 -64.1 -39.6 29.1 -19.8 12.7 87 88 A R H X S+ 0 0 57 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.966 108.9 45.2 -59.9 -47.4 26.2 -18.2 10.7 88 89 A R H X S+ 0 0 49 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.808 111.3 54.7 -65.4 -34.5 26.9 -20.3 7.5 89 90 A I H <>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 3,-0.5 0.970 111.9 42.8 -56.4 -50.0 27.3 -23.4 9.7 90 91 A R H ><5S+ 0 0 69 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.949 112.5 53.6 -68.0 -37.9 23.8 -22.8 11.2 91 92 A E H 3<5S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.4 52.8 -70.1 -26.2 22.3 -21.9 7.9 92 93 A A T 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -3,-0.5 -43,-0.2 0.411 129.6 -99.1 -91.0 -1.0 23.5 -25.2 6.3 93 94 A G T < 5S+ 0 0 33 -3,-2.0 2,-0.3 -4,-0.4 -3,-0.2 0.529 83.0 104.9 108.8 13.8 21.8 -26.9 9.3 94 95 A A S - 0 0 3 -39,-2.1 3,-2.1 -2,-0.3 4,-0.3 0.456 23.4-177.6 -83.7 -1.0 49.7 -25.2 21.7 104 105 A G G > + 0 0 0 1,-0.3 3,-2.3 2,-0.2 20,-0.3 -0.063 69.8 0.5 48.3-134.7 52.2 -24.8 24.6 105 106 A R G 3 S+ 0 0 5 1,-0.3 26,-0.4 70,-0.2 -1,-0.3 0.664 133.7 57.4 -69.7 -12.6 55.5 -26.5 23.9 106 107 A K G < S+ 0 0 26 -3,-2.1 -1,-0.3 69,-0.3 -2,-0.2 0.326 80.2 124.0 -96.0 10.3 54.4 -27.6 20.4 107 108 A A < + 0 0 2 -3,-2.3 -41,-0.2 -4,-0.3 14,-0.2 -0.328 54.3 39.5 -64.7 149.7 53.6 -24.0 19.3 108 109 A G + 0 0 1 -43,-1.2 11,-3.1 -42,-0.6 12,-0.5 0.936 67.5 141.0 85.2 55.6 55.3 -22.7 16.2 109 110 A T B -K 118 0C 18 -43,-2.7 -1,-0.2 9,-0.3 8,-0.1 -0.895 50.5-104.9-122.4 152.7 55.6 -25.2 13.4 110 111 A A - 0 0 19 7,-1.9 5,-0.1 -2,-0.3 -1,-0.0 -0.305 53.8 -78.4 -62.7 156.3 55.2 -24.8 9.6 111 112 A R > > - 0 0 44 1,-0.1 5,-1.5 3,-0.1 3,-1.2 -0.205 48.8-112.6 -47.2 152.4 52.1 -26.1 7.9 112 113 A P G > 5S+ 0 0 66 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.786 117.1 49.1 -70.2 -29.1 52.5 -29.9 7.5 113 114 A W G 3 5S+ 0 0 92 1,-0.2 -2,-0.1 2,-0.1 1277,-0.0 0.462 106.3 58.5 -89.1 -3.6 52.7 -29.7 3.7 114 115 A E G < 5S- 0 0 102 -3,-1.2 3,-0.3 3,-0.0 -1,-0.2 -0.044 135.8 -80.7-106.9 27.6 55.4 -27.0 4.0 115 116 A G T < 5 - 0 0 55 -3,-0.8 -2,-0.1 1,-0.2 -4,-0.1 -0.154 46.1-123.6 109.6 -38.9 57.6 -29.2 6.0 116 117 A G < + 0 0 24 -5,-1.5 -1,-0.2 1,-0.2 -5,-0.1 0.771 56.3 153.5 72.9 28.1 56.1 -28.9 9.5 117 118 A K - 0 0 151 -3,-0.3 -7,-1.9 -6,-0.2 -1,-0.2 -0.634 51.8 -91.4 -93.7 152.5 59.4 -27.7 11.1 118 119 A P B -K 109 0C 40 0, 0.0 -9,-0.3 0, 0.0 -1,-0.1 -0.141 26.0-152.7 -57.1 152.1 59.7 -25.6 14.2 119 120 A L - 0 0 80 -11,-3.1 -10,-0.1 -12,-0.2 -11,-0.1 0.495 41.1-108.4-106.1 -10.8 59.8 -21.8 13.5 120 121 A G + 0 0 44 -12,-0.5 2,-0.2 1,-0.2 -12,-0.1 0.827 57.9 163.3 86.2 35.4 61.8 -20.9 16.6 121 122 A W - 0 0 51 -13,-0.3 2,-2.9 -14,-0.2 -1,-0.2 -0.526 54.1-103.6 -79.7 153.6 59.1 -19.1 18.7 122 123 A R - 0 0 36 -2,-0.2 -1,-0.1 587,-0.1 -14,-0.1 -0.378 54.2-171.5 -66.7 75.7 59.4 -18.5 22.4 123 124 A V - 0 0 2 -2,-2.9 16,-1.8 -16,-0.2 2,-0.3 -0.251 11.0-135.9 -69.8 154.9 57.0 -21.3 23.1 124 125 A V E +l 139 0D 9 -20,-0.3 -17,-0.2 -61,-0.3 -18,-0.1 -0.823 28.6 159.2-114.3 160.4 55.8 -21.7 26.7 125 126 A G E -l 140 0D 0 14,-2.3 16,-2.5 -2,-0.3 -21,-0.1 -0.884 50.4-103.4-157.9 174.8 55.4 -24.9 28.8 126 127 A P S S+ 0 0 2 0, 0.0 61,-0.1 0, 0.0 -1,-0.1 0.853 106.2 18.6 -73.9 -41.4 55.1 -26.4 32.3 127 128 A S S S- 0 0 5 59,-0.4 2,-2.5 2,-0.2 62,-0.1 -0.927 87.1-104.8-136.3 148.8 58.7 -27.6 32.4 128 129 A P S S+ 0 0 82 0, 0.0 11,-0.1 0, 0.0 9,-0.1 -0.402 76.8 124.9 -74.7 67.1 61.8 -26.6 30.4 129 130 A I - 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0 0 54 -2,-3.1 -2,-0.2 57,-0.2 10,-0.0 -0.938 59.8-130.3-127.2 114.4 1.5 -30.6 28.2 479 131 B P - 0 0 50 0, 0.0 7,-0.2 0, 0.0 3,-0.1 -0.225 20.0-121.7 -62.2 149.4 1.7 -30.5 24.4 480 132 B F S S- 0 0 8 5,-0.5 133,-0.4 -26,-0.4 2,-0.3 0.910 82.0 -37.9 -52.1 -47.2 -0.3 -27.7 22.7 481 133 B D S > S- 0 0 38 4,-0.1 3,-2.4 131,-0.1 -1,-0.2 -0.947 93.0 -39.7-168.2 171.3 -2.3 -30.3 20.7 482 134 B E T 3 S+ 0 0 164 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.195 126.5 19.7 -43.9 127.8 -1.9 -33.6 18.9 483 135 B G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 -17,-0.1 -3,-0.0 0.140 96.7 114.3 96.9 -19.2 1.4 -33.7 17.0 484 136 B Y S < S- 0 0 57 -3,-2.4 -1,-0.3 1,-0.1 -29,-0.1 -0.575 73.0-103.3 -84.8 148.3 3.1 -30.9 19.0 485 137 B P - 0 0 33 0, 0.0 -5,-0.5 0, 0.0 -4,-0.1 -0.324 37.7-101.3 -66.3 150.7 6.1 -31.6 21.2 486 138 B V - 0 0 90 -7,-0.2 -12,-0.1 -9,-0.1 -14,-0.0 -0.619 43.7-121.1 -66.4 116.1 5.7 -31.9 24.9 487 139 B P - 0 0 2 0, 0.0 -14,-0.3 0, 0.0 -33,-0.1 -0.299 18.5-121.2 -58.3 153.4 6.9 -28.6 26.4 488 140 B E E -x 473 0H 67 -16,-2.8 -14,-1.9 -11,-0.1 2,-0.1 -0.815 31.5-117.2 -91.3 124.8 9.8 -28.7 28.8 489 141 B P E -x 474 0H 68 0, 0.0 2,-0.2 0, 0.0 -13,-0.1 -0.427 29.0-120.4 -73.6 136.7 8.8 -27.2 32.1 490 142 B L - 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0 0 3 -5,-2.2 -1,-0.3 -6,-0.2 -68,-0.2 -0.532 28.7-165.7 -68.8 147.5 10.9 2.2 18.8 515 167 B Q + 0 0 44 -70,-3.0 2,-0.4 1,-0.2 -69,-0.2 0.347 68.4 49.1-121.9 1.6 8.8 4.3 21.1 516 168 B V E -r 446 0F 0 -71,-0.7 -69,-1.6 52,-0.2 2,-0.5 -0.990 63.1-165.0-137.0 132.2 6.2 1.8 22.2 517 169 B I E -rs 447 570F 1 52,-1.7 54,-3.2 -2,-0.4 2,-0.4 -0.991 4.5-170.3-112.3 133.2 6.9 -1.6 23.6 518 170 B E E -rs 448 571F 0 -71,-2.5 -69,-2.7 -2,-0.5 2,-0.5 -0.986 14.7-142.2-116.4 137.6 4.1 -4.2 23.8 519 171 B L E -rs 449 572F 0 52,-2.3 54,-2.6 -2,-0.4 2,-1.3 -0.812 16.4-130.3 -98.4 126.5 4.7 -7.4 25.7 520 172 B H E + s 0 573F 12 -71,-3.2 7,-0.5 -2,-0.5 -69,-0.3 -0.638 47.0 147.5 -77.2 97.1 3.0 -10.5 24.1 521 173 B M E + s 0 574F 0 52,-2.1 54,-0.8 -2,-1.3 2,-0.2 0.035 50.0 83.8-118.6 40.7 1.1 -12.3 26.9 522 174 B A > + 0 0 0 52,-0.3 3,-1.3 1,-0.1 6,-0.3 -0.656 62.1 42.3-124.2 170.2 -1.7 -13.6 24.7 523 175 B H T 3 S- 0 0 44 86,-0.7 87,-0.2 1,-0.3 -1,-0.1 0.681 116.3 -67.0 73.3 20.1 -2.7 -16.5 22.4 524 176 B G T 3 S+ 0 0 0 85,-0.2 -70,-0.3 -3,-0.2 -1,-0.3 0.486 96.3 132.8 80.1 8.0 -1.3 -19.4 24.3 525 177 B Y S <> S- 0 0 39 -3,-1.3 4,-2.8 -72,-0.1 -73,-0.2 0.067 76.0 -63.9 -72.5-171.0 2.3 -18.3 23.8 526 178 B L H > S+ 0 0 1 -75,-2.4 4,-1.2 2,-0.2 -74,-0.1 0.910 131.8 31.4 -51.9 -69.6 4.7 -18.4 26.8 527 179 B L H >> S+ 0 0 1 -7,-0.5 4,-1.7 -76,-0.3 3,-1.1 0.969 120.8 54.1 -60.2 -41.9 3.4 -15.8 29.3 528 180 B S H 3> S+ 0 0 4 -8,-0.3 4,-2.1 -6,-0.3 -1,-0.2 0.864 105.4 54.1 -51.0 -49.4 -0.2 -16.4 28.2 529 181 B S H 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.743 104.1 55.0 -66.1 -21.6 0.3 -20.1 28.9 530 182 B F H << S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.891 108.2 49.7 -73.8 -37.5 1.4 -19.3 32.4 531 183 B L H < S+ 0 0 3 -4,-1.7 -2,-0.2 -10,-0.1 -3,-0.1 0.942 98.3 74.6 -64.7 -51.0 -1.8 -17.4 33.1 532 184 B S >X - 0 0 1 -4,-2.1 4,-1.8 1,-0.1 3,-0.8 -0.439 67.6-149.7 -70.0 137.6 -4.3 -20.0 31.8 533 185 B P T 34 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 0.614 93.3 72.6 -80.8 -4.4 -5.0 -23.1 33.9 534 186 B L T 34 S+ 0 0 49 1,-0.2 3,-0.1 46,-0.1 -5,-0.1 0.811 115.1 21.4 -72.5 -29.8 -5.6 -25.1 30.7 535 187 B S T <4 S+ 0 0 2 -3,-0.8 2,-0.7 -6,-0.2 -59,-0.4 0.648 118.4 65.5-109.7 -23.6 -1.9 -25.0 30.0 536 188 B N < + 0 0 2 -4,-1.8 8,-0.4 -61,-0.1 -1,-0.2 -0.908 44.1 153.0-109.1 102.7 -0.4 -24.4 33.4 537 189 B Q + 0 0 124 -2,-0.7 6,-0.1 -3,-0.1 -1,-0.1 -0.127 25.5 148.4-110.3 29.5 -0.9 -27.2 35.9 538 190 B R - 0 0 31 4,-0.2 -62,-0.1 1,-0.1 -2,-0.1 -0.336 35.9-160.7 -66.6 148.9 2.2 -26.5 38.0 539 191 B T + 0 0 145 5,-0.1 -1,-0.1 3,-0.1 2,-0.1 0.334 67.5 80.1-111.0 1.7 2.0 -27.3 41.7 540 192 B D S > S- 0 0 67 8,-0.0 3,-1.5 4,-0.0 8,-0.0 -0.190 111.6 -65.7 -86.2-161.9 4.9 -25.2 42.8 541 193 B A T 3 S+ 0 0 44 1,-0.3 10,-0.2 -2,-0.1 3,-0.0 0.382 127.8 63.2 -73.2 4.7 4.7 -21.4 43.3 542 194 B Y T 3 S+ 0 0 27 9,-0.1 2,-0.3 -67,-0.1 -1,-0.3 0.199 104.4 39.1-115.1 13.1 4.0 -20.7 39.6 543 195 B G S < S+ 0 0 2 -3,-1.5 2,-0.8 -6,-0.1 -6,-0.1 -0.940 88.0 45.0-146.1 179.7 0.7 -22.5 39.2 544 196 B G S S+ 0 0 51 -8,-0.4 -5,-0.1 -2,-0.3 -3,-0.1 -0.818 95.7 55.3 90.8-106.0 -2.6 -23.2 41.1 545 197 B S S > S- 0 0 58 -2,-0.8 4,-2.1 1,-0.1 5,-0.2 -0.165 89.8-111.6 -63.7 158.1 -3.9 -20.0 42.6 546 198 B L H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 118.0 51.7 -54.0 -51.6 -4.4 -16.9 40.4 547 199 B E H > S+ 0 0 95 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.889 107.6 51.8 -54.7 -42.0 -1.5 -15.0 42.0 548 200 B N H > S+ 0 0 40 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.913 112.6 46.5 -62.7 -44.6 0.8 -18.0 41.4 549 201 B R H < S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 113.4 48.0 -69.5 -30.8 -0.2 -18.0 37.7 550 202 B M H X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.660 92.5 86.5 -75.2 -12.4 0.2 -14.2 37.4 551 203 B R H X S+ 0 0 76 -4,-1.0 4,-1.9 -3,-0.5 5,-0.2 0.918 89.8 39.2 -67.0 -52.1 3.6 -14.2 39.1 552 204 B F H X S+ 0 0 2 -4,-0.6 4,-2.2 1,-0.2 3,-0.4 0.979 118.7 47.7 -65.1 -47.1 6.0 -14.9 36.2 553 205 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.907 113.3 48.4 -58.8 -41.9 4.1 -12.7 33.7 554 206 B L H X S+ 0 0 9 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.803 107.9 55.0 -67.3 -30.1 3.9 -9.8 36.2 555 207 B Q H X S+ 0 0 77 -4,-1.9 4,-3.3 -3,-0.4 -1,-0.2 0.888 108.2 49.1 -69.1 -41.7 7.6 -10.1 37.0 556 208 B V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.954 110.1 50.8 -61.5 -43.1 8.4 -9.7 33.3 557 209 B A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.898 114.2 45.0 -62.1 -40.3 6.1 -6.7 33.1 558 210 B Q H X S+ 0 0 94 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.954 111.7 50.4 -64.1 -57.3 7.8 -5.1 36.1 559 211 B A H X S+ 0 0 17 -4,-3.3 4,-0.6 1,-0.2 -2,-0.2 0.906 116.6 41.9 -53.6 -38.6 11.4 -5.9 34.9 560 212 B V H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-1.1 0.892 108.1 58.8 -76.8 -38.8 10.6 -4.4 31.5 561 213 B R H >< S+ 0 0 36 -4,-2.3 3,-0.5 -5,-0.4 -1,-0.2 0.900 101.5 60.5 -53.1 -31.0 8.7 -1.4 33.0 562 214 B E H 3< S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.756 108.3 39.3 -73.2 -26.0 12.0 -0.7 34.8 563 215 B V H << S+ 0 0 33 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.470 100.6 81.4-102.6 -2.0 14.1 -0.2 31.6 564 216 B V S << S- 0 0 4 -4,-1.1 -1,-0.1 -3,-0.5 6,-0.1 -0.910 84.4-125.8-105.5 114.6 11.4 1.7 29.7 565 217 B P > - 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