==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-AUG-00 1E60 . COMPND 2 MOLECULE: DMSO REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR S.BAILEY,B.BENNETT,B.ADAMS,A.T.SMITH,R.C.BRAY . 1548 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 999 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 12 0.8 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 . 101 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 196 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 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 6 5 9 8 5 3 2 4 0 2 4 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 8 4 6 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 . 10 6 4 4 4 2 2 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 . 6 2 2 2 0 2 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 4 A A 0 0 85 0, 0.0 20,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 104.7 43.0 80.9 42.4 2 5 A N + 0 0 101 17,-0.3 2,-0.2 18,-0.2 17,-0.2 -0.873 360.0 75.1-131.4 97.2 42.2 80.6 46.2 3 6 A G E S-A 18 0A 37 15,-1.2 15,-3.8 -2,-0.4 2,-0.4 -0.840 72.6 -76.5-169.9-157.6 38.6 79.5 47.0 4 7 A T E -A 17 0A 103 13,-0.2 2,-0.4 -2,-0.2 13,-0.2 -0.985 32.6-174.9-129.7 143.6 36.1 76.7 47.1 5 8 A V E -A 16 0A 34 11,-2.5 11,-4.2 -2,-0.4 2,-0.4 -0.997 15.9-140.0-140.3 135.7 34.1 75.0 44.3 6 9 A M E +A 15 0A 43 -2,-0.4 490,-1.3 9,-0.3 9,-0.2 -0.733 35.7 140.8 -97.0 143.3 31.4 72.4 44.4 7 10 A S E -A 14 0A 0 7,-2.7 7,-3.1 -2,-0.4 2,-0.3 -0.808 31.9-130.4-154.8-166.8 31.3 69.5 41.9 8 11 A G E +A 13 0A 0 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.910 16.9 176.7-154.1 174.9 30.5 65.8 41.8 9 12 A S E > -A 12 0A 0 3,-0.9 3,-1.3 -2,-0.3 106,-0.1 -0.904 57.5 -69.7-161.7-172.0 31.7 62.4 40.6 10 13 A H T 3 S+ 0 0 0 -2,-0.3 182,-2.2 1,-0.3 3,-0.1 0.572 130.9 55.1 -71.7 -12.5 30.9 58.8 40.7 11 14 A W T 3 S- 0 0 6 1,-0.4 25,-0.5 180,-0.2 -1,-0.3 0.501 120.8 -87.2 -97.6 -6.4 31.7 58.9 44.4 12 15 A G E < -A 9 0A 1 -3,-1.3 -3,-0.9 180,-0.1 -1,-0.4 -0.767 54.7 -45.7 129.1 175.9 29.3 61.7 45.3 13 16 A V E +A 8 0A 1 183,-0.4 16,-2.4 -5,-0.2 2,-0.3 -0.663 61.5 166.1 -81.0 143.0 28.9 65.5 45.5 14 17 A F E -AB 7 28A 0 -7,-3.1 -7,-2.7 -2,-0.3 2,-0.5 -0.973 35.4-122.1-155.4 168.6 31.8 67.5 47.1 15 18 A T E -AB 6 27A 42 12,-3.6 12,-3.0 -2,-0.3 2,-0.4 -0.963 25.8-149.3-116.8 125.9 33.3 70.9 47.6 16 19 A A E -AB 5 26A 0 -11,-4.2 -11,-2.5 -2,-0.5 2,-0.5 -0.783 5.0-143.3 -96.9 142.0 36.9 71.5 46.6 17 20 A T E -AB 4 25A 42 8,-2.7 7,-3.2 -2,-0.4 8,-1.0 -0.865 19.6-163.0 -95.6 128.4 39.3 73.9 48.3 18 21 A V E -AB 3 23A 6 -15,-3.8 -15,-1.2 -2,-0.5 2,-0.4 -0.923 10.0-176.8-118.4 132.3 41.6 75.6 45.8 19 22 A E E > S- B 0 22A 100 3,-2.4 3,-1.4 -2,-0.4 -17,-0.3 -0.969 74.5 -21.4-134.9 113.9 44.8 77.4 46.8 20 23 A N T 3 S- 0 0 135 -2,-0.4 -18,-0.2 1,-0.3 -1,-0.1 0.901 129.2 -47.5 49.1 57.5 46.8 79.2 44.2 21 24 A G T 3 S+ 0 0 38 -20,-2.5 2,-0.4 1,-0.2 479,-0.3 0.528 116.5 106.4 67.6 7.8 45.2 77.2 41.4 22 25 A R E < S-B 19 0A 137 -3,-1.4 -3,-2.4 -21,-0.4 2,-0.4 -0.962 70.2-125.2-115.5 135.4 45.7 73.7 42.9 23 26 A A E +B 18 0A 3 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.659 33.4 172.3 -76.1 127.2 42.9 71.6 44.4 24 27 A T E + 0 0 55 -7,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.513 57.7 15.5-113.9 -13.8 44.0 70.8 48.0 25 28 A A E -B 17 0A 33 -8,-1.0 -8,-2.7 2,-0.0 2,-0.5 -0.954 51.8-151.8-160.8 141.4 41.0 69.1 49.6 26 29 A F E -B 16 0A 23 -2,-0.3 -10,-0.2 -10,-0.2 17,-0.1 -0.983 20.4-170.5-115.2 116.9 37.7 67.5 48.6 27 30 A T E -B 15 0A 77 -12,-3.0 -12,-3.6 -2,-0.5 3,-0.1 -0.953 26.7-111.0-110.3 131.3 35.1 67.8 51.3 28 31 A P E -B 14 0A 50 0, 0.0 -14,-0.3 0, 0.0 -16,-0.0 -0.217 39.6 -89.5 -63.1 145.2 31.8 65.9 51.0 29 32 A W > - 0 0 28 -16,-2.4 3,-1.7 1,-0.1 -16,-0.1 -0.159 34.4-125.8 -46.8 140.8 28.5 67.6 50.4 30 33 A E T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -3,-0.1 -16,-0.0 0.761 110.3 52.7 -68.4 -20.8 26.9 68.5 53.8 31 34 A K T 3 S+ 0 0 106 3,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.348 78.9 110.1 -95.9 5.4 23.8 66.6 52.7 32 35 A D < - 0 0 16 -3,-1.7 166,-0.1 1,-0.2 165,-0.1 -0.743 55.9-159.6 -81.1 119.0 25.6 63.4 51.8 33 36 A P S S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 165,-0.1 0.644 81.3 14.5 -72.7 -17.0 24.5 61.0 54.5 34 37 A H S S- 0 0 84 163,-0.1 167,-0.1 156,-0.0 -3,-0.0 -0.522 78.5-163.7-159.3 75.6 27.4 58.6 54.0 35 38 A P - 0 0 49 0, 0.0 -23,-0.1 0, 0.0 155,-0.1 -0.162 23.3-113.5 -62.6 158.8 30.4 59.9 52.0 36 39 A S > - 0 0 6 -25,-0.5 3,-2.0 154,-0.2 4,-0.2 -0.844 7.3-138.7 -96.9 135.9 33.0 57.5 50.5 37 40 A P T > S+ 0 0 92 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.620 94.9 82.4 -63.1 -12.6 36.6 57.6 51.8 38 41 A M T >> + 0 0 2 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.690 65.0 86.4 -71.8 -13.3 37.6 57.3 48.1 39 42 A L H <> S+ 0 0 10 -3,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.825 81.7 61.5 -51.9 -36.6 37.2 61.0 47.6 40 43 A A H <> S+ 0 0 57 -3,-1.1 4,-2.2 1,-0.2 -1,-0.3 0.909 107.0 43.8 -58.8 -41.2 40.8 61.5 48.8 41 44 A G H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.4 -1,-0.2 0.818 107.5 59.7 -73.4 -31.9 42.1 59.3 45.9 42 45 A V H X S+ 0 0 1 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.980 109.4 43.0 -56.3 -52.5 39.8 61.1 43.4 43 46 A L H >X S+ 0 0 25 -4,-2.3 3,-1.8 1,-0.2 4,-0.5 0.957 113.8 52.2 -58.2 -48.1 41.5 64.4 44.3 44 47 A D H >X S+ 0 0 40 -4,-2.2 4,-1.7 1,-0.3 3,-1.4 0.845 96.5 68.6 -58.6 -33.4 44.9 62.6 44.2 45 48 A S H 3< S+ 0 0 6 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.702 89.9 63.2 -63.8 -15.9 44.1 61.2 40.7 46 49 A I H << S+ 0 0 0 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.782 122.2 18.2 -70.8 -30.0 44.3 64.7 39.2 47 50 A Y H << S+ 0 0 38 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.484 89.5 128.0-119.8 -7.0 48.0 65.0 40.2 48 51 A S S >< S- 0 0 5 -4,-1.7 3,-2.6 1,-0.1 604,-0.1 -0.016 75.7 -98.3 -61.3 170.1 49.4 61.5 40.9 49 52 A P T 3 S+ 0 0 96 0, 0.0 724,-0.7 0, 0.0 -1,-0.1 0.770 122.9 57.3 -59.8 -18.8 52.5 60.2 39.2 50 53 A T T 3 S+ 0 0 0 601,-0.4 409,-2.3 722,-0.2 2,-0.1 0.296 72.8 127.6-100.7 17.8 50.4 58.4 36.6 51 54 A R B < -C 458 0B 5 -3,-2.6 2,-0.6 407,-0.2 407,-0.2 -0.515 67.2-120.1 -68.8 136.7 48.6 61.5 35.4 52 55 A I + 0 0 0 405,-1.8 -1,-0.1 420,-0.2 453,-0.1 -0.730 35.1 178.3 -83.6 117.0 49.0 61.5 31.6 53 56 A K + 0 0 51 -2,-0.6 451,-1.8 724,-0.4 -1,-0.2 0.897 54.5 18.2 -83.5 -51.5 50.8 64.7 30.7 54 57 A Y S S- 0 0 34 723,-0.2 -1,-0.2 449,-0.1 2,-0.1 -0.911 79.8 -93.8-126.9 159.3 51.2 64.7 26.9 55 58 A P - 0 0 0 0, 0.0 26,-2.1 0, 0.0 2,-0.3 -0.443 50.4-170.3 -64.1 135.1 50.0 63.0 23.7 56 59 A M E -DE 80 469C 0 413,-2.7 413,-2.7 24,-0.2 2,-0.4 -0.974 20.3-152.8-136.4 149.4 52.2 60.1 22.9 57 60 A V E -DE 79 468C 0 22,-2.8 22,-2.9 -2,-0.3 411,-0.2 -0.981 32.8-112.4-122.7 131.8 52.8 57.7 20.0 58 61 A R E >> -D 78 0C 3 409,-3.0 4,-2.7 -2,-0.4 3,-0.9 -0.512 31.7-128.3 -55.7 121.6 54.1 54.2 20.6 59 62 A R H 3> S+ 0 0 103 18,-2.7 4,-2.4 1,-0.3 5,-0.3 0.844 104.2 49.3 -49.2 -44.6 57.6 54.3 18.9 60 63 A E H 3> S+ 0 0 33 17,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.842 114.8 44.4 -62.8 -40.8 57.1 51.2 16.7 61 64 A F H <> S+ 0 0 6 -3,-0.9 4,-2.7 3,-0.2 -1,-0.2 0.868 111.3 54.4 -70.1 -37.8 53.7 52.4 15.5 62 65 A L H < S+ 0 0 62 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.917 119.4 34.0 -59.2 -47.8 55.1 55.9 14.9 63 66 A E H < S+ 0 0 121 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.940 135.7 20.3 -71.0 -52.3 57.9 54.5 12.8 64 67 A K H >< S- 0 0 124 -4,-2.7 3,-2.0 -5,-0.3 -3,-0.2 0.583 76.2-170.4-103.8 -9.8 56.2 51.5 11.1 65 68 A G G >< S+ 0 0 21 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 -0.254 79.5 4.7 58.8-129.7 52.4 52.1 11.3 66 69 A V G 3 S+ 0 0 50 1,-0.3 -1,-0.3 -5,-0.0 4,-0.1 0.748 132.0 58.8 -64.1 -21.5 50.6 49.0 10.1 67 70 A N G < S+ 0 0 135 -3,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 0.254 79.3 130.5 -87.6 8.5 53.9 47.0 9.8 68 71 A A S < S- 0 0 10 -3,-2.0 2,-0.9 382,-0.2 -7,-0.1 -0.247 72.8-107.6 -55.6 154.0 54.8 47.6 13.5 69 72 A D > - 0 0 89 1,-0.2 3,-0.8 2,-0.0 -1,-0.1 -0.763 36.7-167.8 -77.9 107.9 55.8 44.7 15.6 70 73 A R G > S+ 0 0 54 -2,-0.9 3,-1.3 1,-0.2 -1,-0.2 0.615 70.5 81.0 -80.4 -8.5 52.6 44.5 17.7 71 74 A S G 3 S+ 0 0 39 1,-0.2 -1,-0.2 376,-0.1 376,-0.0 0.644 86.7 59.6 -71.5 -11.1 54.0 42.1 20.3 72 75 A T G X + 0 0 15 -3,-0.8 3,-2.3 2,-0.1 5,-0.3 0.369 68.3 127.8-100.0 8.0 55.7 45.0 22.1 73 76 A R T < S+ 0 0 11 -3,-1.3 392,-0.2 1,-0.3 394,-0.1 -0.413 73.9 32.4 -59.2 138.5 52.6 47.0 22.9 74 77 A G T 3 S+ 0 0 14 390,-1.0 -1,-0.3 392,-0.3 391,-0.1 0.117 82.6 108.6 94.1 -10.5 52.8 47.7 26.6 75 78 A N S < S- 0 0 78 -3,-2.3 -2,-0.1 2,-0.1 3,-0.1 0.598 87.2-121.0 -75.6 -7.1 56.6 47.9 26.9 76 79 A G + 0 0 19 388,-0.5 2,-1.6 -4,-0.2 700,-0.4 0.495 62.0 146.1 85.0 9.8 56.3 51.6 27.5 77 80 A D + 0 0 57 -5,-0.3 -18,-2.7 698,-0.1 -17,-0.4 -0.579 26.8 154.1 -85.5 86.9 58.4 52.7 24.5 78 81 A F E -D 58 0C 5 -2,-1.6 2,-0.4 -20,-0.3 -20,-0.2 -0.774 37.7-143.3-114.5 156.9 56.6 55.9 23.6 79 82 A V E -D 57 0C 34 -22,-2.9 -22,-2.8 -2,-0.3 2,-0.2 -0.977 22.2-125.8-119.8 130.6 57.5 59.1 21.8 80 83 A R E +D 56 0C 119 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.535 36.0 178.0 -74.7 133.2 56.0 62.5 22.9 81 84 A V - 0 0 11 -26,-2.1 2,-0.1 -2,-0.2 -1,-0.0 -0.900 30.3 -95.9-131.1 166.7 54.4 64.3 20.1 82 85 A S > - 0 0 62 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.358 34.5-112.4 -77.9 160.4 52.5 67.6 19.7 83 86 A W H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.902 117.1 53.5 -59.2 -42.7 48.7 67.8 19.7 84 87 A D H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 110.4 46.1 -63.2 -40.8 48.6 68.8 16.0 85 88 A Q H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 114.7 47.3 -65.7 -42.0 50.7 65.8 15.0 86 89 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.933 113.2 47.5 -67.6 -44.3 48.7 63.3 17.1 87 90 A L H X S+ 0 0 2 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.933 112.2 50.1 -63.7 -40.8 45.3 64.7 15.9 88 91 A D H X S+ 0 0 88 -4,-1.8 4,-3.1 -5,-0.3 -1,-0.2 0.974 113.3 47.2 -59.0 -46.5 46.4 64.5 12.3 89 92 A L H X S+ 0 0 44 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.942 113.3 46.6 -64.9 -47.3 47.6 61.0 12.8 90 93 A V H X S+ 0 0 1 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.965 114.6 47.3 -62.1 -45.9 44.3 59.9 14.6 91 94 A A H X S+ 0 0 4 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.935 112.7 50.1 -59.8 -41.3 42.2 61.6 11.9 92 95 A A H X S+ 0 0 51 -4,-3.1 4,-2.9 -5,-0.3 -1,-0.2 0.883 112.0 47.9 -63.8 -42.0 44.3 59.9 9.2 93 96 A E H X S+ 0 0 20 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.925 111.6 48.7 -66.1 -42.7 44.0 56.5 10.8 94 97 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.949 115.4 44.9 -60.7 -51.4 40.2 56.8 11.3 95 98 A K H X S+ 0 0 77 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.951 114.0 49.7 -54.6 -52.9 39.8 57.9 7.6 96 99 A R H X S+ 0 0 60 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.925 114.2 43.2 -55.8 -49.2 42.2 55.1 6.4 97 100 A V H X>S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.6 0.948 115.7 48.7 -65.7 -46.0 40.5 52.3 8.3 98 101 A E H X5S+ 0 0 18 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.908 117.0 42.3 -57.5 -45.1 37.0 53.6 7.4 99 102 A E H <5S+ 0 0 153 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.908 121.7 39.3 -67.2 -46.0 37.9 53.9 3.7 100 103 A T H <5S+ 0 0 84 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.918 134.5 15.5 -74.9 -42.6 39.9 50.6 3.5 101 104 A Y H <5S- 0 0 79 -4,-3.2 3,-0.3 -5,-0.3 -3,-0.2 0.493 97.3-124.3-115.7 -5.2 37.7 48.4 5.6 102 105 A G ><< - 0 0 16 -4,-1.5 3,-1.9 -5,-0.6 -1,-0.2 -0.149 51.6 -57.2 84.0 173.1 34.3 50.0 6.1 103 106 A P G > S+ 0 0 24 0, 0.0 3,-1.9 0, 0.0 34,-0.4 0.803 132.2 70.3 -61.7 -28.0 32.7 50.8 9.4 104 107 A E G 3 S+ 0 0 24 1,-0.3 -2,-0.2 -3,-0.3 -6,-0.1 0.647 89.3 64.0 -64.1 -17.6 32.9 47.1 10.2 105 108 A G G < S+ 0 0 0 -3,-1.9 318,-2.7 317,-0.2 319,-2.4 0.550 93.5 71.9 -85.6 -2.4 36.7 47.7 10.5 106 109 A V E < -f 424 0C 0 -3,-1.9 31,-3.4 316,-0.2 2,-0.7 -0.922 65.9-156.0-119.9 116.2 36.3 50.0 13.5 107 110 A F E +fg 425 137C 7 317,-3.6 319,-1.8 -2,-0.5 31,-0.2 -0.821 21.3 165.0 -90.8 121.5 35.3 48.9 17.0 108 111 A G + 0 0 0 29,-3.0 30,-0.2 -2,-0.7 31,-0.2 0.116 39.9 111.1-118.5 20.7 33.7 51.8 18.9 109 112 A G + 0 0 7 28,-0.4 30,-0.1 29,-0.2 -1,-0.1 0.880 44.1 175.1 -63.3 -43.2 32.1 49.8 21.8 110 113 A S - 0 0 0 316,-0.2 318,-0.2 1,-0.1 -1,-0.1 0.801 18.9-156.3 42.1 52.3 34.6 51.4 24.2 111 114 A Y + 0 0 43 285,-0.1 2,-0.2 319,-0.1 -1,-0.1 -0.222 32.3 122.3 -60.1 136.7 33.0 49.9 27.3 112 115 A G - 0 0 10 318,-0.2 318,-0.2 1,-0.1 11,-0.1 -0.835 66.6-115.0 172.6 157.6 33.8 51.8 30.5 113 116 A W + 0 0 17 -2,-0.2 317,-0.2 1,-0.2 -1,-0.1 0.698 50.3 165.5 -77.9 -14.5 32.7 53.7 33.6 114 117 A K - 0 0 13 315,-2.1 -1,-0.2 -3,-0.1 7,-0.1 -0.053 50.8 -62.9 39.8-141.8 34.3 57.0 32.5 115 118 A S - 0 0 12 5,-0.2 7,-0.2 2,-0.1 -106,-0.1 -0.955 52.5-102.1-133.8 153.5 33.0 59.9 34.6 116 119 A P + 0 0 1 0, 0.0 2,-0.1 0, 0.0 78,-0.1 -0.237 63.3 117.0 -66.7 167.0 29.4 61.2 35.0 117 120 A G - 0 0 0 2,-0.1 365,-0.2 366,-0.1 -2,-0.1 -0.161 57.4-131.3 137.4 126.3 28.5 64.4 33.1 118 121 A R S S+ 0 0 39 363,-2.7 255,-2.3 -2,-0.1 3,-0.3 0.771 105.9 33.1 -76.8 -23.0 25.9 65.0 30.4 119 122 A L S S+ 0 0 1 362,-0.3 2,-1.6 253,-0.2 -1,-0.1 0.913 114.9 52.8 -94.2 -53.1 28.3 66.9 28.1 120 123 A H + 0 0 6 359,-0.1 2,-1.0 361,-0.1 -5,-0.2 -0.415 67.1 144.7 -87.8 62.0 31.7 65.4 28.8 121 124 A N > - 0 0 7 -2,-1.6 4,-2.9 -3,-0.3 3,-0.3 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39.8 499 502 A V S S- 0 0 9 -23,-2.1 -1,-0.3 -21,-0.1 3,-0.1 -0.927 82.3 -92.4-136.7 163.2 41.2 73.9 38.2 500 503 A E - 0 0 131 -479,-0.3 -22,-0.1 -2,-0.3 -24,-0.0 -0.466 63.1 -75.7 -73.3 151.9 42.6 74.6 34.7 501 504 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.178 56.2-119.4 -44.6 131.7 43.5 71.6 32.5 502 505 A L > - 0 0 21 -3,-0.1 3,-2.6 2,-0.1 -25,-0.0 -0.518 63.3 -32.9 -79.7 149.8 46.7 70.1 33.7 503 506 A Y T 3 S- 0 0 121 1,-0.3 -449,-0.1 -2,-0.2 -450,-0.1 -0.085 123.0 -29.1 44.4-132.8 49.8 69.8 31.5 504 507 A E T 3 S+ 0 0 63 -451,-1.8 -1,-0.3 -452,-0.1 -451,-0.1 0.186 98.3 139.6 -98.5 18.7 48.7 69.3 27.9 505 508 A A < - 0 0 5 -3,-2.6 2,-0.3 -33,-0.1 -33,-0.2 -0.275 30.1-170.4 -65.6 145.3 45.5 67.5 28.8 506 509 A R B -u 472 0J 95 -35,-2.3 -33,-0.9 -33,-0.1 -2,-0.0 -0.968 29.1 -98.5-133.9 150.8 42.3 68.2 26.8 507 510 A S > - 0 0 8 -2,-0.3 4,-2.3 -35,-0.2 5,-0.2 -0.362 32.1-120.9 -63.1 152.6 38.7 67.3 27.2 508 511 A D H > S+ 0 0 8 -35,-0.2 4,-3.2 1,-0.2 5,-0.2 0.881 116.2 59.5 -58.3 -38.5 37.5 64.3 25.2 509 512 A Y H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.958 106.6 44.8 -53.6 -52.0 35.0 66.8 23.6 510 513 A D H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.897 114.0 50.0 -61.3 -41.3 37.9 69.1 22.4 511 514 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.966 113.7 43.9 -59.6 -54.1 39.8 66.1 21.1 512 515 A F H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.839 110.8 54.1 -66.4 -32.1 36.9 64.6 19.2 513 516 A A H X S+ 0 0 16 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.879 110.5 49.2 -67.1 -32.4 35.8 68.0 17.8 514 517 A A H X S+ 0 0 19 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.900 113.6 43.5 -69.3 -45.5 39.4 68.4 16.5 515 518 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.952 115.0 49.8 -64.3 -48.2 39.5 65.0 14.9 516 519 A A H <>S+ 0 0 1 -4,-3.0 5,-2.8 1,-0.2 3,-0.5 0.929 108.5 53.6 -57.5 -43.8 36.0 65.5 13.5 517 520 A E H ><5S+ 0 0 118 -4,-2.5 3,-1.9 4,-0.3 5,-0.4 0.950 107.0 51.2 -56.9 -47.0 37.1 68.9 12.1 518 521 A R H 3<5S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.750 106.8 54.7 -62.2 -24.8 40.0 67.2 10.3 519 522 A L T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.372 124.0-106.8 -85.5 -0.3 37.5 64.7 8.8 520 523 A G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.666 100.0 96.2 86.0 17.0 35.5 67.7 7.5 521 524 A K >< + 0 0 76 -5,-2.8 4,-1.6 -6,-0.2 -4,-0.3 -0.042 36.6 125.4-129.2 36.0 32.7 67.4 10.0 522 525 A G H > S+ 0 0 5 -5,-0.4 4,-2.2 -6,-0.4 5,-0.2 0.911 76.3 46.4 -60.3 -43.7 33.7 69.9 12.6 523 526 A A H >>S+ 0 0 63 1,-0.3 4,-2.0 2,-0.2 5,-0.6 0.871 110.3 53.8 -71.5 -35.9 30.5 71.9 12.6 524 527 A E H 45S+ 0 0 49 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.846 108.8 49.4 -66.6 -36.5 28.4 68.7 12.7 525 528 A F H <5S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.955 119.5 35.5 -72.0 -43.3 30.2 67.5 15.8 526 529 A T H ><5S- 0 0 35 -4,-2.2 3,-2.0 -13,-0.1 -2,-0.2 0.685 89.8-145.3 -80.1 -24.2 29.9 70.8 17.8 527 530 A E T 3<5 - 0 0 54 -4,-2.0 -3,-0.2 1,-0.3 -4,-0.1 0.826 66.9 -67.6 60.8 28.1 26.4 71.7 16.5 528 531 A G T 3 - 0 0 109 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.484 49.5 -71.1-113.2-169.2 30.5 75.4 23.1 531 534 A E H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.897 133.4 37.2 -52.8 -52.5 30.7 74.0 26.6 532 535 A M H > S+ 0 0 58 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.834 112.3 59.3 -74.2 -27.4 28.1 76.3 28.2 533 536 A G H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 110.2 43.5 -62.8 -43.7 25.9 76.3 25.1 534 537 A W H X S+ 0 0 17 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.944 114.9 48.3 -64.2 -48.5 25.6 72.5 25.4 535 538 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.928 112.1 48.5 -60.9 -45.6 25.0 72.6 29.2 536 539 A K H X S+ 0 0 92 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.898 107.9 56.1 -63.4 -37.2 22.4 75.3 29.0 537 540 A S H X S+ 0 0 30 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.893 110.4 44.6 -62.3 -37.7 20.6 73.3 26.2 538 541 A F H X S+ 0 0 12 -4,-1.7 4,-2.1 -3,-0.2 -167,-0.2 0.958 115.4 47.2 -70.6 -47.0 20.3 70.3 28.5 539 542 A Y H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.942 109.5 53.0 -56.8 -47.4 19.3 72.3 31.5 540 543 A D H X S+ 0 0 50 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.893 108.8 50.1 -58.5 -38.5 16.6 74.2 29.5 541 544 A D H X S+ 0 0 106 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.892 111.5 48.4 -65.5 -39.2 15.1 71.0 28.3 542 545 A A H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.940 112.5 49.5 -64.8 -45.3 15.0 69.7 31.9 543 546 A A H X S+ 0 0 19 -4,-3.2 4,-2.7 2,-0.2 10,-0.3 0.781 107.8 53.2 -61.1 -34.3 13.4 72.9 33.0 544 547 A K H X S+ 0 0 140 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.910 111.0 46.7 -72.7 -40.8 10.8 72.8 30.3 545 548 A Q H < S+ 0 0 123 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.926 113.7 48.3 -66.4 -42.8 9.8 69.4 31.3 546 549 A G H >X>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 3,-1.5 0.926 109.3 52.7 -61.9 -48.8 9.7 70.4 35.0 547 550 A K H ><5S+ 0 0 140 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.948 110.8 47.8 -55.0 -44.4 7.6 73.5 34.2 548 551 A A T 3<5S+ 0 0 84 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.561 112.8 50.0 -69.2 -10.8 5.1 71.3 32.4 549 552 A A T <45S- 0 0 66 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.382 120.2-104.0-107.7 -2.6 5.1 68.9 35.4 550 553 A G T <<5S+ 0 0 66 -3,-1.3 2,-0.3 -4,-0.7 -3,-0.2 0.714 94.9 109.3 86.1 19.3 4.5 71.5 38.0 551 554 A V < - 0 0 18 -5,-3.0 -3,-0.1 -6,-0.2 2,-0.1 -0.694 54.2-169.5-122.4 66.6 8.2 71.4 39.2 552 555 A E - 0 0 148 -2,-0.3 -8,-0.1 -5,-0.2 -9,-0.1 -0.415 1.8-160.8 -69.5 141.6 9.3 74.8 37.9 553 556 A M - 0 0 26 -10,-0.3 3,-0.1 1,-0.1 6,-0.0 -0.847 22.2 -95.0-119.0 156.9 13.1 75.5 38.1 554 557 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.032 51.0 -83.8 -62.1 169.8 15.1 78.7 38.0 555 558 A A > - 0 0 71 1,-0.1 4,-2.8 4,-0.0 3,-0.3 -0.412 50.1-100.3 -66.2 155.6 16.7 80.2 34.8 556 559 A F H > S+ 0 0 20 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.846 119.8 47.6 -51.6 -51.8 20.0 78.7 33.8 557 560 A D H > S+ 0 0 125 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.918 114.1 49.2 -59.5 -40.9 22.3 81.4 35.2 558 561 A A H > S+ 0 0 44 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.893 113.0 46.9 -64.8 -40.8 20.4 81.4 38.5 559 562 A F H X>S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.6 0.968 113.0 49.4 -66.0 -46.8 20.7 77.6 38.6 560 563 A W H <5S+ 0 0 34 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.913 108.7 52.5 -61.5 -40.6 24.4 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1,-0.1 2,-0.0 -0.641 37.4-136.8 -72.5 131.5 27.9 22.1 36.0 621 624 A P - 0 0 16 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.247 31.2 -94.1 -78.8 168.6 30.1 25.1 35.3 622 625 A L S S- 0 0 90 1,-0.2 2,-0.3 -2,-0.0 -2,-0.0 0.937 108.2 -7.2 -44.9 -51.2 33.5 25.0 33.5 623 626 A E S S+ 0 0 32 7,-0.1 2,-0.3 8,-0.0 -1,-0.2 -0.983 70.2 170.6-148.3 145.4 35.1 24.8 37.0 624 627 A R > - 0 0 16 -2,-0.3 3,-2.7 -3,-0.2 6,-0.2 -0.982 46.4 -77.4-152.9 153.8 33.9 25.1 40.6 625 628 A L T 3 S- 0 0 3 -388,-0.4 9,-0.1 -2,-0.3 -389,-0.1 -0.233 116.6 -2.6 -55.1 124.8 35.2 24.6 44.1 626 629 A D T 3 S+ 0 0 100 6,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.700 93.0 158.9 64.3 18.0 35.3 20.9 44.9 627 630 A G X - 0 0 12 -3,-2.7 3,-2.3 1,-0.1 2,-0.2 -0.423 57.6 -86.5 -66.1 153.6 33.7 20.1 41.5 628 631 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.420 114.4 1.0 -63.8 119.1 34.3 16.5 40.4 629 632 A G T 3 S+ 0 0 81 1,-0.2 -2,-0.1 -2,-0.2 -3,-0.0 0.493 87.8 159.5 79.1 7.2 37.6 16.5 38.6 630 633 A A < - 0 0 35 -3,-2.3 -1,-0.2 -6,-0.2 -7,-0.1 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0.915 75.0 52.6 -66.1 -37.0 44.7 52.3 41.7 651 654 A G T 3 S+ 0 0 3 -4,-0.3 -601,-0.4 3,-0.1 -1,-0.3 -0.320 99.2 86.4 -94.1 50.8 47.4 54.9 41.0 652 655 A T S X S- 0 0 6 -3,-0.9 3,-1.9 -2,-0.7 4,-0.4 -0.857 96.8 -87.1-134.9 176.0 46.6 57.1 43.9 653 656 A V G > S+ 0 0 90 1,-0.3 3,-0.6 -2,-0.3 4,-0.3 0.681 115.4 74.3 -57.1 -28.0 47.6 57.5 47.6 654 657 A L G > S+ 0 0 31 1,-0.2 3,-1.6 -5,-0.2 4,-0.4 0.768 80.5 72.8 -55.5 -34.0 44.7 55.1 48.5 655 658 A R G X> S+ 0 0 42 -3,-1.9 4,-2.4 -6,-0.3 3,-1.8 0.887 87.5 60.8 -52.0 -42.5 46.8 52.1 47.2 656 659 A E G <4 S+ 0 0 151 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.683 95.2 64.9 -57.9 -23.1 49.2 52.3 50.2 657 660 A G G <4 S+ 0 0 71 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.695 119.8 16.5 -76.2 -19.9 46.2 51.6 52.5 658 661 A Y T <4 S+ 0 0 20 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.1 0.504 93.1 111.8-127.2 -12.0 45.5 48.1 51.1 659 662 A A < - 0 0 24 -4,-2.4 2,-0.5 5,-0.1 5,-0.2 -0.278 53.4-147.7 -69.0 148.5 48.6 46.9 49.2 660 663 A V B > S-E 663 0M 17 3,-2.6 3,-2.2 1,-0.2 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