==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-NOV-08 3FDJ . COMPND 2 MOLECULE: DEGV FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM ELIGENS; . AUTHOR M.E.CUFF,R.HENDRICKS,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER F . 276 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 12.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 0 1 1 1 0 0 1 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 2 1 1 1 1 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 1 1 0 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 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 0 A A 0 0 117 0, 0.0 74,-0.3 0, 0.0 73,-0.2 0.000 360.0 360.0 360.0 101.1 27.9 -12.0 27.4 2 1 A X - 0 0 23 72,-0.1 17,-0.5 71,-0.1 2,-0.4 -0.265 360.0-141.0 -81.8 157.7 26.2 -10.1 30.3 3 2 A R E -ab 19 76A 46 72,-2.5 74,-2.3 15,-0.1 2,-0.4 -0.962 4.9-155.1-119.6 133.1 22.6 -9.0 30.4 4 3 A L E -ab 20 77A 0 15,-2.6 17,-1.9 -2,-0.4 2,-0.4 -0.887 15.3-179.2-104.0 134.3 21.2 -5.8 31.8 5 4 A V E +ab 21 78A 0 72,-2.6 74,-3.0 -2,-0.4 2,-0.3 -0.981 4.2 169.0-131.3 142.5 17.5 -5.6 32.9 6 5 A A E -ab 22 79A 0 15,-2.0 17,-2.5 -2,-0.4 74,-0.2 -0.995 36.0-106.0-147.4 152.2 15.5 -2.7 34.3 7 6 A D E > -a 23 0A 0 72,-1.6 3,-2.0 -2,-0.3 4,-0.1 -0.410 45.6-101.5 -69.7 161.2 12.0 -1.8 35.2 8 7 A S G > S+ 0 0 2 15,-2.2 3,-1.9 1,-0.3 252,-0.3 0.558 110.0 85.8 -67.9 -7.9 10.3 0.6 32.8 9 8 A A G 3 S+ 0 0 0 1,-0.3 108,-1.2 14,-0.2 -1,-0.3 0.624 75.0 75.0 -63.0 -12.1 10.8 3.5 35.3 10 9 A C G < S- 0 0 0 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.578 98.5-139.6 -74.8 -10.4 14.2 3.8 33.6 11 10 A D < + 0 0 12 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.340 65.6 99.6 72.5 -3.6 12.4 5.4 30.6 12 11 A I - 0 0 15 1,-0.1 -1,-0.2 105,-0.1 -2,-0.2 -0.781 49.2-169.9-119.9 157.4 14.4 3.5 28.0 13 12 A K S S+ 0 0 97 -2,-0.3 9,-0.3 1,-0.2 2,-0.3 0.479 74.7 30.6-118.2 -14.1 13.9 0.4 25.8 14 13 A E - 0 0 117 7,-0.1 2,-0.4 5,-0.1 -1,-0.2 -0.969 50.0-158.0-144.6 158.4 17.5 -0.1 24.4 15 14 A L > - 0 0 12 3,-0.4 3,-2.6 -2,-0.3 -11,-0.1 -0.908 38.1-124.8-135.7 101.9 21.1 0.5 25.3 16 15 A R T 3 S+ 0 0 202 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.276 94.4 16.6 -60.9 129.7 23.0 0.5 22.0 17 16 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.283 113.9 86.8 93.8 -7.3 25.8 -2.0 22.1 18 17 A X S < S- 0 0 31 -3,-2.6 2,-0.7 2,-0.0 -3,-0.4 -0.789 82.0-112.9-119.8 161.2 24.4 -4.0 25.1 19 18 A V E +a 3 0A 63 -17,-0.5 -15,-2.6 -2,-0.3 2,-0.3 -0.889 55.0 162.8 -88.9 118.4 21.9 -6.7 25.8 20 19 A F E -a 4 0A 24 -2,-0.7 2,-0.4 -17,-0.2 -15,-0.2 -1.000 24.1-174.4-146.0 138.1 19.1 -4.9 27.6 21 20 A K E -a 5 0A 86 -17,-1.9 -15,-2.0 -2,-0.3 2,-0.3 -0.987 13.3-149.4-136.4 127.8 15.5 -5.5 28.4 22 21 A A E -a 6 0A 17 -2,-0.4 -15,-0.2 -9,-0.3 -14,-0.1 -0.731 11.5-147.8 -90.2 141.0 13.0 -3.2 30.1 23 22 A V E -a 7 0A 2 -17,-2.5 -15,-2.2 -2,-0.3 -14,-0.2 -0.944 23.1-124.4-113.9 114.5 10.2 -4.8 32.2 24 23 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 13,-0.1 -0.331 14.8-155.9 -69.5 134.6 6.9 -2.8 32.1 25 24 A L - 0 0 4 11,-0.2 11,-2.8 36,-0.1 2,-0.4 -0.513 23.3-127.1 -84.2 170.6 5.0 -1.5 35.1 26 25 A T E -DE 35 59B 25 33,-1.8 33,-2.2 9,-0.2 2,-0.4 -0.978 14.1-160.5-129.7 134.5 1.3 -0.9 34.7 27 26 A I E -DE 34 58B 0 7,-2.8 7,-3.7 -2,-0.4 2,-0.3 -0.929 24.4-178.7-108.4 136.4 -0.8 2.2 35.3 28 27 A S E -DE 33 57B 25 29,-2.9 29,-2.7 -2,-0.4 5,-0.2 -0.981 25.3-170.8-141.6 152.1 -4.5 1.6 35.7 29 28 A T - 0 0 14 3,-2.4 27,-0.1 -2,-0.3 20,-0.0 -0.571 55.2 -90.0-111.7-174.7 -7.9 3.2 36.3 30 29 A D S S+ 0 0 154 25,-0.4 3,-0.1 -2,-0.2 26,-0.1 0.814 127.8 39.0 -64.8 -27.7 -11.2 1.3 37.0 31 30 A N S S+ 0 0 145 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.630 118.7 23.2 -97.6 -20.7 -11.7 1.3 33.2 32 31 A E - 0 0 64 2,-0.0 -3,-2.4 -3,-0.0 2,-0.5 -0.998 54.6-141.5-155.4 144.1 -8.3 0.7 31.5 33 32 A E E -D 28 0B 140 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.947 14.5-160.8-107.3 130.1 -4.8 -0.8 32.0 34 33 A F E -D 27 0B 3 -7,-3.7 -7,-2.8 -2,-0.5 2,-0.5 -0.953 7.3-155.6-112.0 115.3 -1.9 1.1 30.5 35 34 A C E -D 26 0B 45 -2,-0.6 2,-2.3 -9,-0.2 -9,-0.2 -0.804 17.6-131.6 -93.6 127.4 1.2 -1.1 30.2 36 35 A D + 0 0 2 -11,-2.8 -11,-0.2 -2,-0.5 2,-0.2 -0.424 69.0 108.0 -80.3 70.0 4.5 0.9 30.1 37 36 A D S > S- 0 0 54 -2,-2.3 3,-1.2 -13,-0.1 221,-0.1 -0.492 90.2 -66.6-127.4-164.9 5.9 -0.9 27.0 38 37 A G T 3 S+ 0 0 62 1,-0.2 -2,-0.1 -2,-0.2 -25,-0.0 0.650 126.1 57.6 -63.5 -17.1 6.5 -0.2 23.4 39 38 A Q T 3 S+ 0 0 169 -4,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.594 77.7 120.2 -90.2 -11.6 2.8 0.0 22.6 40 39 A L < - 0 0 34 -3,-1.2 2,-1.0 -5,-0.2 3,-0.1 -0.357 50.0-156.1 -71.0 126.7 2.0 2.8 25.0 41 40 A D > - 0 0 89 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 -0.813 16.1-178.8 -93.9 94.8 0.5 6.1 23.7 42 41 A I H > S+ 0 0 38 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.888 76.5 56.5 -69.0 -38.9 1.6 8.3 26.6 43 42 A H H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 110.0 46.5 -58.6 -44.4 -0.0 11.5 25.2 44 43 A R H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 111.2 51.8 -62.3 -44.0 -3.4 9.7 25.1 45 44 A X H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.927 109.6 48.9 -60.7 -46.3 -2.9 8.3 28.6 46 45 A L H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.883 110.5 51.4 -61.9 -39.4 -2.1 11.8 30.0 47 46 A D H X S+ 0 0 58 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.904 111.2 48.2 -62.7 -41.5 -5.2 13.2 28.3 48 47 A I H >< S+ 0 0 45 -4,-2.4 3,-0.7 1,-0.2 4,-0.4 0.944 113.6 46.6 -64.0 -46.4 -7.4 10.4 29.8 49 48 A L H >< S+ 0 0 23 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.876 103.6 60.9 -65.7 -39.9 -6.0 11.0 33.3 50 49 A E H 3< S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.750 117.6 31.6 -62.4 -23.5 -6.3 14.8 33.2 51 50 A K T << S+ 0 0 161 -4,-0.9 2,-0.5 -3,-0.7 -1,-0.3 0.278 94.1 108.6-114.0 8.6 -10.1 14.4 32.8 52 51 A H < - 0 0 54 -3,-1.1 4,-0.0 -4,-0.4 -4,-0.0 -0.760 50.4-164.9 -87.6 128.0 -10.5 11.2 34.7 53 52 A K + 0 0 209 -2,-0.5 -1,-0.1 2,-0.1 -4,-0.0 0.739 59.8 70.2 -87.3 -24.1 -12.3 11.8 38.0 54 53 A G S S- 0 0 42 1,-0.2 2,-0.1 0, 0.0 -2,-0.1 -0.044 91.8 -69.1 -88.8-172.0 -11.6 8.6 39.9 55 54 A R - 0 0 161 110,-0.0 -25,-0.4 111,-0.0 2,-0.3 -0.390 41.2-160.4 -76.5 153.5 -8.5 7.0 41.4 56 55 A S - 0 0 3 -27,-0.1 2,-0.3 -2,-0.1 -27,-0.2 -0.950 8.8-167.6-134.5 158.9 -5.6 5.6 39.4 57 56 A Y E -E 28 0B 93 -29,-2.7 -29,-2.9 -2,-0.3 2,-0.3 -0.869 14.1-141.2-141.6 159.8 -3.0 3.2 40.4 58 57 A T E -E 27 0B 29 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.936 14.0-162.0-125.0 157.4 0.3 1.6 39.5 59 58 A A E -E 26 0B 48 -33,-2.2 -33,-1.8 -2,-0.3 3,-0.1 -0.996 18.1-123.4-137.2 144.0 1.6 -1.9 39.8 60 59 A C - 0 0 52 -2,-0.3 -35,-0.1 -35,-0.2 2,-0.1 -0.261 48.1 -80.2 -75.6 168.2 5.0 -3.5 39.8 61 60 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -36,-0.1 -0.379 46.0-109.6 -71.4 152.0 5.9 -6.3 37.3 62 61 A G > - 0 0 44 1,-0.1 4,-1.8 -3,-0.1 3,-0.4 -0.359 26.7-111.9 -70.8 156.1 4.8 -9.9 37.8 63 62 A I H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 119.1 58.2 -55.4 -37.9 7.4 -12.5 38.6 64 63 A D H > S+ 0 0 136 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 103.2 51.6 -61.1 -39.9 6.6 -14.0 35.1 65 64 A A H > S+ 0 0 31 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.888 110.3 48.8 -64.9 -41.2 7.6 -10.8 33.3 66 65 A W H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.946 110.7 50.4 -61.5 -47.4 10.9 -10.6 35.2 67 66 A L H X S+ 0 0 33 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.908 108.8 51.6 -60.5 -41.3 11.6 -14.3 34.3 68 67 A E H < S+ 0 0 147 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.920 110.7 49.8 -58.2 -42.5 10.9 -13.6 30.6 69 68 A A H < S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.777 104.5 56.5 -70.4 -29.8 13.3 -10.7 30.7 70 69 A F H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 2,-0.3 0.789 83.7 178.8 -70.3 -29.4 16.1 -12.6 32.3 71 70 A G T 3< - 0 0 35 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 -0.437 58.8 -51.0 66.0-123.0 15.9 -15.1 29.4 72 71 A D T 3 S+ 0 0 119 -2,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.054 90.5 136.3-136.4 29.1 18.5 -17.7 30.0 73 72 A D < - 0 0 39 -3,-1.5 3,-0.1 1,-0.1 -71,-0.1 -0.419 47.1-146.0 -81.1 153.1 21.7 -15.7 30.6 74 73 A D S S+ 0 0 73 1,-0.2 33,-2.3 -73,-0.2 2,-0.4 0.517 84.8 48.6 -97.9 -8.1 24.1 -16.5 33.3 75 74 A E E S+ c 0 107A 51 -74,-0.3 -72,-2.5 31,-0.2 2,-0.4 -0.941 70.9 166.5-133.9 113.1 25.2 -13.1 34.3 76 75 A I E -bc 3 108A 0 31,-2.4 33,-2.4 -2,-0.4 2,-0.5 -0.987 23.9-164.9-133.9 133.8 22.5 -10.5 34.9 77 76 A F E -bc 4 109A 0 -74,-2.3 -72,-2.6 -2,-0.4 2,-0.5 -0.977 13.8-164.8-111.8 132.2 22.3 -7.1 36.5 78 77 A V E -bc 5 110A 0 31,-2.9 33,-3.8 -2,-0.5 2,-0.5 -0.978 1.9-161.0-118.2 123.9 18.8 -5.8 37.3 79 78 A V E -bc 6 111A 0 -74,-3.0 -72,-1.6 -2,-0.5 2,-0.3 -0.909 14.8-173.9-107.3 128.8 18.2 -2.2 38.1 80 79 A T E - c 0 112A 0 31,-2.8 33,-2.1 -2,-0.5 35,-0.4 -0.866 29.8-100.9-120.6 155.4 15.0 -1.3 40.0 81 80 A I S S- 0 0 18 -2,-0.3 8,-0.4 1,-0.2 35,-0.2 -0.334 72.7 -58.4 -60.1 151.3 13.1 1.9 41.0 82 81 A T >> - 0 0 3 33,-2.7 3,-1.5 1,-0.2 4,-1.0 0.001 35.1-145.7 -41.3 128.0 13.6 2.7 44.7 83 82 A A T 34 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.2 109,-0.1 0.668 97.8 72.7 -66.5 -15.7 12.6 0.1 47.2 84 83 A G T 34 S+ 0 0 42 108,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.627 112.4 20.7 -74.3 -16.7 11.6 3.1 49.3 85 84 A X T <4 S+ 0 0 50 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.413 122.2 40.5-130.9 1.7 8.6 3.9 47.2 86 85 A S < - 0 0 24 -4,-1.0 3,-0.5 -5,-0.1 4,-0.3 -0.998 62.8-130.8-153.9 148.7 7.7 0.7 45.3 87 86 A G S > S+ 0 0 38 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.331 83.5 101.8 -76.0 6.3 7.4 -3.1 45.6 88 87 A T H > S+ 0 0 0 -6,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 76.6 51.6 -61.0 -46.9 9.4 -3.4 42.4 89 88 A Y H > S+ 0 0 59 -3,-0.5 4,-2.4 -8,-0.4 -1,-0.2 0.924 110.8 48.9 -54.8 -48.7 12.7 -4.3 44.1 90 89 A N H > S+ 0 0 115 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.893 109.6 51.9 -59.5 -40.9 10.9 -7.1 46.1 91 90 A S H X S+ 0 0 14 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.889 110.7 48.6 -63.8 -39.0 9.3 -8.4 42.9 92 91 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.880 111.0 49.8 -67.6 -40.3 12.7 -8.6 41.2 93 92 A X H X S+ 0 0 66 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.887 110.3 51.1 -64.2 -38.9 14.2 -10.4 44.3 94 93 A A H X S+ 0 0 38 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.914 111.6 46.8 -63.7 -42.6 11.3 -12.9 44.2 95 94 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.892 109.1 54.6 -66.5 -38.9 12.0 -13.5 40.5 96 95 A R H X S+ 0 0 82 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.896 104.6 56.1 -58.4 -41.3 15.8 -13.8 41.1 97 96 A A H X S+ 0 0 46 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.900 111.2 41.5 -58.3 -47.8 14.9 -16.5 43.7 98 97 A V H >< S+ 0 0 50 -4,-1.6 3,-0.6 2,-0.2 4,-0.5 0.912 113.2 54.5 -65.7 -43.0 13.0 -18.6 41.2 99 98 A Y H >X S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.3 4,-1.4 0.923 105.7 51.5 -61.2 -43.7 15.6 -18.0 38.5 100 99 A L H 3< S+ 0 0 57 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.768 106.4 54.9 -66.9 -22.5 18.5 -19.2 40.6 101 100 A E T << S+ 0 0 172 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.551 115.8 40.1 -82.2 -7.2 16.5 -22.4 41.3 102 101 A E T <4 S+ 0 0 121 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.513 115.2 48.8-113.6 -13.1 16.3 -22.9 37.5 103 102 A H >< - 0 0 41 -4,-1.4 3,-1.6 -5,-0.1 -1,-0.2 -0.855 61.9-169.6-137.4 97.2 19.8 -21.8 36.4 104 103 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.694 86.6 41.9 -69.1 -22.6 22.6 -23.5 38.3 105 104 A Q T 3 S+ 0 0 140 2,-0.0 -5,-0.1 -30,-0.0 2,-0.0 0.442 90.4 123.0-100.6 5.4 25.5 -21.4 36.9 106 105 A A < - 0 0 15 -3,-1.6 2,-0.4 -7,-0.2 -31,-0.2 -0.313 41.5-165.9 -77.8 146.0 23.6 -18.0 37.1 107 106 A K E +c 75 0A 78 -33,-2.3 -31,-2.4 -2,-0.0 2,-0.4 -1.000 13.1 178.4-122.0 127.5 24.7 -14.9 38.9 108 107 A V E -c 76 0A 8 -2,-0.4 2,-0.5 -33,-0.2 -31,-0.2 -0.993 10.8-169.2-134.2 125.2 22.1 -12.2 39.3 109 108 A R E -c 77 0A 48 -33,-2.4 -31,-2.9 -2,-0.4 2,-0.6 -0.971 8.5-156.9-115.7 122.0 22.5 -8.9 41.1 110 109 A V E -c 78 0A 5 -2,-0.5 2,-0.6 -33,-0.2 -31,-0.2 -0.904 11.3-156.5 -97.5 124.3 19.4 -6.8 41.8 111 110 A I E -c 79 0A 0 -33,-3.8 -31,-2.8 -2,-0.6 2,-0.8 -0.915 9.3-150.5-106.1 112.0 20.3 -3.1 42.3 112 111 A D E -c 80 0A 40 -2,-0.6 -31,-0.1 -33,-0.2 -30,-0.1 -0.766 11.5-159.2 -73.8 111.0 17.9 -1.0 44.3 113 112 A S - 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G 0 184C 6 27,-2.8 27,-2.5 -2,-0.4 3,-0.1 -0.925 22.5-165.5-117.2 131.8 7.1 18.9 39.2 158 157 A K S S+ 0 0 90 -2,-0.4 2,-0.3 106,-0.4 24,-0.2 0.644 85.8 21.5 -87.1 -19.0 4.1 21.1 38.2 159 158 A S - 0 0 36 105,-0.5 -1,-0.3 25,-0.1 4,-0.1 -0.969 50.7-178.1-148.6 139.8 1.6 18.7 39.7 160 159 A L > + 0 0 3 14,-0.4 4,-2.7 -2,-0.3 5,-0.2 -0.003 50.3 117.3-122.0 25.5 2.0 16.0 42.4 161 160 A H H > S+ 0 0 111 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.908 77.2 46.4 -64.0 -44.6 -1.6 14.8 42.4 162 161 A N H > S+ 0 0 12 100,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.905 114.1 47.8 -68.0 -41.4 -0.7 11.2 41.3 163 162 A L H 4>S+ 0 0 14 100,-0.4 5,-3.0 2,-0.2 6,-0.5 0.951 115.7 46.4 -56.6 -48.4 2.1 10.9 43.8 164 163 A A H ><5S+ 0 0 26 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.907 109.2 51.3 -66.7 -43.4 -0.2 12.2 46.6 165 164 A Q H 3<5S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.767 111.9 50.1 -69.3 -21.7 -3.2 10.1 45.8 166 165 A N T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.253 118.1-111.7 -96.3 11.4 -0.9 7.0 45.9 167 166 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.709 83.6 120.4 71.1 23.0 0.6 8.0 49.2 168 167 A R S - 0 0 60 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.346 27.9-122.6 -65.1 150.1 2.7 14.3 51.7 171 170 A K H > S+ 0 0 178 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.890 111.9 56.6 -57.5 -40.4 -0.4 16.4 51.1 172 171 A V H > S+ 0 0 112 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.916 109.6 45.5 -61.6 -41.8 1.3 19.6 52.4 173 172 A V H >4 S+ 0 0 39 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.936 114.4 47.7 -65.3 -45.8 4.1 19.1 49.8 174 173 A A H >< S+ 0 0 4 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.819 99.4 68.9 -65.5 -32.3 1.7 18.4 47.0 175 174 A S H >< S+ 0 0 49 -4,-2.5 3,-1.2 1,-0.3 4,-0.4 0.774 87.8 65.7 -62.0 -28.4 -0.5 21.4 47.8 176 175 A A G X< S+ 0 0 31 -3,-0.9 3,-1.3 -4,-0.7 -1,-0.3 0.897 99.3 51.6 -57.2 -41.1 2.2 23.9 46.7 177 176 A A G < S+ 0 0 8 -3,-1.0 -1,-0.3 -4,-0.5 5,-0.2 0.517 88.8 80.9 -80.4 -4.4 1.9 22.7 43.1 178 177 A E G < S+ 0 0 154 -3,-1.2 2,-0.4 -4,-0.4 -1,-0.3 0.713 74.8 88.8 -70.9 -20.8 -1.9 23.1 43.1 179 178 A V S X S- 0 0 80 -3,-1.3 3,-2.0 -4,-0.4 2,-0.2 -0.654 95.0-106.7 -79.6 130.9 -1.2 26.9 42.5 180 179 A L T 3 S+ 0 0 162 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.397 103.6 16.6 -64.4 125.4 -1.0 27.7 38.8 181 180 A G T 3 S+ 0 0 41 1,-0.3 21,-0.7 -2,-0.2 2,-0.5 0.393 98.2 116.0 93.0 -2.4 2.6 28.4 37.8 182 181 A I E < - H 0 201C 9 -3,-2.0 2,-0.3 -5,-0.2 -1,-0.3 -0.900 41.5-173.1-101.8 129.3 4.2 26.9 40.9 183 182 A S E - H 0 200C 14 17,-2.6 17,-2.4 -2,-0.5 2,-0.5 -0.830 19.3-131.2-109.8 156.0 6.4 23.8 40.7 184 183 A V E -GH 157 199C 9 -27,-2.5 -27,-2.8 -2,-0.3 2,-0.5 -0.926 15.9-147.4-106.4 130.5 7.9 21.8 43.5 185 184 A I E +GH 156 198C 0 13,-3.4 12,-3.4 -2,-0.5 13,-1.5 -0.841 26.0 173.1 -97.1 130.9 11.6 21.0 43.3 186 185 A G E -GH 155 196C 1 -31,-2.2 -31,-2.2 -2,-0.5 2,-0.3 -0.820 20.4-155.8-130.3 168.9 12.7 17.6 44.8 187 186 A T E -GH 154 195C 4 8,-2.1 8,-2.9 -2,-0.3 2,-0.5 -0.964 35.0-100.6-136.5 158.5 15.6 15.3 45.2 188 187 A A E - H 0 194C 18 -35,-1.3 -35,-0.3 -2,-0.3 6,-0.2 -0.717 48.1-137.3 -74.8 123.2 16.0 11.6 45.8 189 188 A S > - 0 0 8 4,-3.1 3,-2.1 -2,-0.5 -1,-0.0 -0.274 23.9-101.5 -77.8 169.5 16.7 11.2 49.5 190 189 A S T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.669 125.8 54.3 -62.4 -18.0 19.2 9.0 51.2 191 190 A H T 3 S- 0 0 143 2,-0.1 -1,-0.3 -107,-0.0 3,-0.1 0.257 121.8-106.5 -96.5 7.8 16.2 6.7 52.0 192 191 A G S < S+ 0 0 2 -3,-2.1 2,-0.3 1,-0.3 -108,-0.2 0.847 81.3 121.2 68.3 37.0 15.1 6.5 48.4 193 192 A T S S- 0 0 52 -79,-0.1 -4,-3.1 -108,-0.1 2,-0.6 -0.783 73.6 -90.9-124.5 169.4 12.2 8.8 48.9 194 193 A L E -H 188 0C 41 -26,-0.4 2,-0.6 -2,-0.3 -6,-0.2 -0.726 40.1-167.1 -85.4 116.9 11.1 12.1 47.3 195 194 A E E -H 187 0C 104 -8,-2.9 -8,-2.1 -2,-0.6 2,-0.3 -0.942 16.2-136.2-108.0 116.0 12.5 14.9 49.4 196 195 A A E -H 186 0C 44 -2,-0.6 -10,-0.3 -10,-0.2 3,-0.1 -0.570 21.1-178.2 -76.7 129.8 10.9 18.3 48.6 197 196 A I E - 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