==== 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 26-FEB-09 3GFA . COMPND 2 MOLECULE: PUTATIVE NITROREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE 630; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 393 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 12.2 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 . 0 0.0 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 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 1 2 0 0 0 2 2 0 0 1 0 0 1 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 . 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 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 X > 0 0 74 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 118.5 16.0 60.7 -9.9 2 2 A I H > + 0 0 4 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.835 360.0 62.2 -70.0 -31.1 16.5 61.0 -6.2 3 3 A S H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 101.7 52.6 -59.8 -39.4 12.8 61.7 -6.1 4 4 A D H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.952 112.0 42.8 -61.9 -49.2 12.4 58.2 -7.6 5 5 A S H X S+ 0 0 11 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.874 111.6 55.6 -65.2 -35.8 14.6 56.5 -4.8 6 6 A I H < S+ 0 0 6 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.2 40.0 -60.3 -43.2 12.9 58.6 -2.1 7 7 A S H < S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.845 118.9 45.4 -70.1 -40.0 9.5 57.4 -3.2 8 8 A K H < S+ 0 0 73 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.712 83.5 112.7 -83.5 -21.3 10.4 53.8 -3.8 9 9 A R < + 0 0 14 -4,-1.9 2,-0.3 -5,-0.2 128,-0.1 -0.247 41.1 173.7 -57.9 134.8 12.5 53.2 -0.7 10 10 A R - 0 0 53 136,-0.1 136,-0.6 174,-0.1 2,-0.5 -0.964 42.0-100.4-133.5 155.8 11.0 50.7 1.8 11 11 A S B -a 146 0A 24 -2,-0.3 2,-0.5 134,-0.1 136,-0.2 -0.684 45.2-153.7 -70.2 119.4 12.2 49.0 5.0 12 12 A I + 0 0 9 134,-2.5 162,-0.1 -2,-0.5 3,-0.1 -0.889 28.3 166.7-107.9 128.1 13.3 45.6 3.7 13 13 A R + 0 0 94 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.319 63.0 63.6-125.7 5.8 13.2 42.6 6.1 14 14 A K - 0 0 68 166,-0.1 165,-2.8 162,-0.1 2,-0.3 -0.997 67.0-176.8-133.2 127.7 13.6 39.7 3.7 15 15 A Y B -F 178 0B 14 -2,-0.4 2,-0.2 163,-0.3 131,-0.0 -0.877 32.1-107.1-124.4 155.3 16.8 39.4 1.7 16 16 A K - 0 0 80 161,-3.0 161,-0.4 -2,-0.3 163,-0.1 -0.562 36.4-122.5 -72.2 143.1 18.4 37.2 -1.0 17 17 A N S S+ 0 0 137 -2,-0.2 -1,-0.1 159,-0.1 2,-0.1 0.502 72.4 125.7 -70.4 8.3 21.1 35.1 0.6 18 18 A Q - 0 0 113 1,-0.1 159,-0.4 159,-0.1 -2,-0.1 -0.316 64.0-111.2 -81.5 139.8 23.7 36.6 -1.9 19 19 A S - 0 0 112 -2,-0.1 2,-0.5 157,-0.1 -1,-0.1 -0.224 22.3-135.4 -67.2 150.8 26.9 38.3 -0.7 20 20 A I - 0 0 17 76,-0.1 -1,-0.1 155,-0.1 155,-0.0 -0.937 25.1-119.8-106.8 132.5 27.4 42.0 -1.1 21 21 A S > - 0 0 55 -2,-0.5 4,-1.9 1,-0.1 3,-0.2 -0.318 15.4-120.2 -72.0 153.5 30.7 43.1 -2.4 22 22 A H H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.870 115.0 57.9 -53.9 -39.6 33.1 45.4 -0.4 23 23 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 103.7 49.8 -64.5 -38.4 32.8 47.8 -3.3 24 24 A T H > S+ 0 0 24 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 111.7 48.9 -65.2 -43.1 29.0 48.1 -3.0 25 25 A I H X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.911 109.0 54.1 -62.2 -42.6 29.4 48.7 0.7 26 26 A E H X S+ 0 0 81 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.916 107.0 50.6 -53.9 -48.5 32.0 51.4 -0.0 27 27 A K H X S+ 0 0 107 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.894 111.2 48.4 -61.3 -40.4 29.6 53.2 -2.4 28 28 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 3,-0.4 0.940 113.3 46.4 -68.5 -46.0 26.9 53.2 0.3 29 29 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.911 107.0 57.2 -64.0 -40.9 29.2 54.5 3.0 30 30 A E H X S+ 0 0 86 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.811 104.4 53.5 -65.5 -22.7 30.6 57.2 0.8 31 31 A A H < S+ 0 0 7 -4,-1.2 3,-0.3 -3,-0.4 -1,-0.2 0.910 108.0 50.7 -71.8 -39.1 27.0 58.5 0.3 32 32 A G H >< S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.2 -2,-0.2 0.922 104.9 57.1 -59.3 -44.8 26.7 58.7 4.0 33 33 A I H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 100.0 60.1 -56.5 -31.1 29.9 60.6 4.2 34 34 A N T 3< S+ 0 0 41 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.423 79.8 114.7 -80.8 -1.3 28.5 63.2 1.9 35 35 A A S < S- 0 0 0 -3,-2.1 2,-0.1 -4,-0.2 96,-0.1 -0.332 73.5-109.2 -60.0 154.5 25.6 64.0 4.3 36 36 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 95,-0.2 -0.408 39.2-171.8 -72.6 161.1 25.5 67.5 5.8 37 37 A S > - 0 0 20 -2,-0.1 3,-2.5 93,-0.1 87,-0.1 -0.978 34.8 -85.8-154.4 149.7 26.3 67.8 9.5 38 38 A S G > S- 0 0 30 85,-0.4 3,-2.1 -2,-0.3 4,-0.1 -0.356 115.7 -6.6 -55.5 127.2 26.2 70.5 12.1 39 39 A K G 3 S- 0 0 103 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.672 116.2 -83.1 55.6 22.7 29.5 72.5 12.0 40 40 A N G < S+ 0 0 47 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.796 88.2 147.9 49.8 35.7 30.7 69.9 9.4 41 41 A R < - 0 0 61 -3,-2.1 -2,-0.1 1,-0.0 -1,-0.1 0.675 39.2-156.5 -73.0 -21.7 31.6 67.7 12.4 42 42 A Q + 0 0 15 1,-0.1 62,-0.1 -4,-0.1 -5,-0.1 0.900 18.0 177.9 46.6 60.3 30.8 64.5 10.6 43 43 A P + 0 0 0 0, 0.0 61,-2.8 0, 0.0 62,-0.3 0.565 37.5 111.3 -78.9 -7.4 30.2 62.6 13.8 44 44 A W E +B 103 0A 0 59,-0.2 2,-0.3 60,-0.1 59,-0.2 -0.409 40.3 179.9 -67.1 138.7 29.3 59.3 12.1 45 45 A R E -B 102 0A 51 57,-1.8 57,-3.1 -2,-0.1 2,-0.4 -0.982 13.2-148.3-136.1 150.6 31.5 56.2 12.4 46 46 A F E -Bc 101 391A 2 344,-3.1 346,-2.5 -2,-0.3 2,-0.5 -0.941 13.1-168.2-125.4 138.0 30.8 52.9 10.8 47 47 A V E -Bc 100 392A 2 53,-2.2 53,-3.1 -2,-0.4 2,-0.6 -0.969 18.8-149.2-124.9 112.9 31.6 49.3 11.8 48 48 A V E -Bc 99 393A 0 344,-2.9 346,-3.7 -2,-0.5 2,-0.7 -0.723 8.0-157.3 -85.8 119.4 30.8 46.8 9.0 49 49 A I E +B 98 0A 3 49,-3.0 49,-1.7 -2,-0.6 2,-0.2 -0.886 18.8 175.3-101.1 112.2 29.8 43.4 10.4 50 50 A T >> - 0 0 35 344,-2.4 3,-1.6 -2,-0.7 4,-1.3 -0.472 53.5 -77.1-103.0-177.0 30.4 40.6 7.9 51 51 A E T 34 S+ 0 0 87 1,-0.3 4,-0.5 45,-0.2 3,-0.4 0.854 122.4 74.0 -51.2 -35.4 30.0 36.8 8.1 52 52 A K T 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.871 117.0 11.3 -40.7 -48.5 33.3 36.8 10.0 53 53 A E T <> S+ 0 0 56 -3,-1.6 4,-2.3 341,-0.7 -1,-0.2 0.303 92.8 108.3-125.2 3.5 31.7 38.3 13.2 54 54 A K H X S+ 0 0 42 -4,-1.3 4,-2.6 -3,-0.4 5,-0.2 0.889 80.8 50.5 -54.0 -47.0 28.0 38.1 12.7 55 55 A E H > S+ 0 0 98 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.925 110.5 48.7 -64.8 -40.8 27.4 35.3 15.2 56 56 A S H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 111.9 51.2 -62.4 -43.6 29.3 37.0 17.9 57 57 A X H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.925 110.0 48.9 -51.0 -54.1 27.3 40.2 17.2 58 58 A L H X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.864 106.9 55.6 -65.3 -34.2 24.0 38.4 17.4 59 59 A K H X S+ 0 0 60 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.908 108.4 48.2 -64.0 -41.5 25.0 36.7 20.7 60 60 A A H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.925 112.3 49.7 -64.9 -43.3 25.7 40.1 22.3 61 61 A X H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 111.4 48.3 -55.3 -52.0 22.3 41.4 20.9 62 62 A S H X S+ 0 0 54 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.888 107.9 55.0 -62.1 -38.7 20.5 38.4 22.3 63 63 A K H X S+ 0 0 64 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.918 109.1 48.3 -60.7 -43.0 22.2 38.8 25.7 64 64 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.931 110.9 49.2 -63.3 -43.6 21.0 42.3 26.0 65 65 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.916 111.1 50.5 -63.6 -40.3 17.4 41.4 25.0 66 66 A Q H X S+ 0 0 94 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.910 107.7 53.7 -63.2 -39.8 17.4 38.6 27.6 67 67 A N H <>S+ 0 0 49 -4,-2.4 5,-2.7 1,-0.2 6,-0.2 0.888 109.5 48.5 -61.6 -40.1 18.7 41.1 30.2 68 68 A E H ><5S+ 0 0 9 -4,-2.1 3,-1.8 86,-0.3 5,-0.4 0.918 108.9 52.1 -62.9 -46.0 15.7 43.3 29.3 69 69 A I H 3<5S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.902 107.6 53.7 -57.3 -40.7 13.3 40.4 29.5 70 70 A N T 3<5S- 0 0 86 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.412 119.3-113.6 -74.3 0.9 14.8 39.7 33.0 71 71 A D T < 5S+ 0 0 114 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.779 91.6 110.3 69.0 30.4 14.0 43.3 34.0 72 72 A N < + 0 0 110 -5,-2.7 -4,-0.2 -6,-0.2 -3,-0.1 -0.062 60.6 95.0-115.3 25.2 17.7 44.2 34.3 73 73 A G S S- 0 0 24 -5,-0.4 81,-0.1 -6,-0.2 -5,-0.1 -0.086 81.0-109.1-107.2-160.7 17.6 46.4 31.2 74 74 A L S S+ 0 0 20 79,-0.1 239,-0.4 1,-0.1 3,-0.1 0.482 98.7 57.9-114.5 -8.6 17.2 50.0 30.2 75 75 A L > + 0 0 10 1,-0.1 3,-2.2 237,-0.1 -1,-0.1 -0.431 49.4 153.6-125.3 59.4 13.7 50.2 28.6 76 76 A P G > S+ 0 0 83 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.718 75.8 58.7 -62.2 -22.6 11.2 49.0 31.2 77 77 A G G 3 S+ 0 0 48 1,-0.2 3,-0.1 -3,-0.1 -2,-0.0 0.356 102.8 55.5 -81.6 1.8 8.4 51.1 29.5 78 78 A S G X + 0 0 1 -3,-2.2 3,-2.2 1,-0.1 4,-0.3 -0.002 58.9 124.8-126.9 28.0 8.9 49.3 26.2 79 79 A R G X S+ 0 0 116 -3,-0.6 3,-1.6 1,-0.3 4,-0.4 0.836 70.8 66.1 -58.2 -29.8 8.5 45.6 27.1 80 80 A Q G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.642 98.4 54.8 -65.3 -14.7 5.8 45.4 24.4 81 81 A H G <> S+ 0 0 44 -3,-2.2 4,-1.9 1,-0.1 -1,-0.3 0.410 79.8 89.6-100.5 0.4 8.6 46.0 21.8 82 82 A I H <> S+ 0 0 14 -3,-1.6 4,-2.4 -4,-0.3 5,-0.2 0.907 83.9 56.5 -64.2 -40.7 10.8 43.1 22.9 83 83 A A H > S+ 0 0 74 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.927 107.1 50.2 -56.5 -44.6 9.1 40.8 20.5 84 84 A G H > S+ 0 0 26 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.902 107.5 53.8 -59.6 -41.3 9.9 43.2 17.6 85 85 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.914 106.6 51.4 -61.3 -40.2 13.6 43.3 18.8 86 86 A N H X S+ 0 0 69 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.880 109.3 50.9 -64.2 -36.1 13.7 39.5 18.6 87 87 A Y H X S+ 0 0 145 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.923 108.0 52.9 -64.6 -42.4 12.3 39.7 15.1 88 88 A T H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.890 103.9 55.9 -61.9 -37.7 15.0 42.3 14.2 89 89 A V H X S+ 0 0 6 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.923 107.5 49.8 -59.1 -42.4 17.7 39.9 15.5 90 90 A E H X S+ 0 0 105 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.897 110.2 50.4 -61.4 -42.6 16.4 37.3 13.0 91 91 A I H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.935 110.5 49.0 -62.7 -44.8 16.5 39.8 10.2 92 92 A X H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.869 107.7 55.6 -62.4 -36.7 20.1 40.7 11.1 93 93 A K H < S+ 0 0 106 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.905 115.2 38.4 -63.7 -38.6 21.0 37.0 11.1 94 94 A Q H < S+ 0 0 106 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.810 94.2 94.8 -82.2 -30.8 19.7 36.6 7.6 95 95 A A S < S- 0 0 0 -4,-2.5 81,-0.1 -5,-0.2 -78,-0.1 -0.340 75.0-133.7 -63.2 139.0 20.9 39.9 6.1 96 96 A P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 -45,-0.2 0.816 85.0 20.7 -63.5 -29.1 24.2 39.6 4.3 97 97 A V E - D 0 175A 6 78,-1.4 78,-2.6 -47,-0.1 2,-0.4 -0.999 58.0-172.8-139.3 140.0 25.7 42.7 5.8 98 98 A T E -BD 49 174A 2 -49,-1.7 -49,-3.0 -2,-0.3 2,-0.5 -0.998 9.8-161.4-130.0 133.6 24.9 44.9 8.9 99 99 A I E -BD 48 173A 0 74,-2.8 74,-2.2 -2,-0.4 2,-0.4 -0.965 9.9-144.8-112.8 124.6 26.7 48.2 9.5 100 100 A F E -BD 47 172A 0 -53,-3.1 -53,-2.2 -2,-0.5 2,-0.5 -0.726 11.6-149.8 -85.5 138.8 26.7 49.7 13.0 101 101 A I E -BD 46 171A 0 70,-3.0 69,-2.7 -2,-0.4 70,-1.6 -0.952 16.6-174.9-112.8 125.5 26.5 53.5 13.1 102 102 A L E -BD 45 169A 6 -57,-3.1 -57,-1.8 -2,-0.5 2,-0.6 -0.772 23.6-135.6-116.8 159.3 28.2 55.3 16.0 103 103 A N E > -BD 44 168A 0 65,-2.6 65,-2.1 -2,-0.3 3,-1.7 -0.958 9.7-164.9-117.1 105.5 28.4 58.9 17.1 104 104 A I T 3 S+ 0 0 76 -61,-2.8 -1,-0.1 -2,-0.6 -60,-0.1 0.707 92.7 48.1 -63.4 -18.4 32.0 59.8 18.0 105 105 A L T 3 S+ 0 0 77 -62,-0.3 -1,-0.3 63,-0.1 2,-0.2 0.269 89.2 123.5-101.7 7.0 30.6 63.0 19.7 106 106 A G < - 0 0 19 -3,-1.7 2,-0.3 -63,-0.2 62,-0.1 -0.497 51.2-143.6 -82.7 141.4 27.9 61.2 21.6 107 107 A K - 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0 0 17 -3,-1.9 2,-0.2 -63,-0.2 62,-0.1 -0.559 53.4-141.3 -93.7 139.3 9.9 65.6 21.9 304 107 B K - 0 0 64 -2,-0.3 -2,-0.1 10,-0.1 -1,-0.0 -0.589 38.9 -88.1 -85.8 151.8 10.7 66.5 25.5 305 108 B S > - 0 0 33 -2,-0.2 3,-1.6 1,-0.2 -1,-0.1 -0.268 26.7-127.9 -55.9 141.5 12.0 69.9 26.5 306 109 B P T 3 S+ 0 0 0 0, 0.0 -188,-0.2 0, 0.0 -1,-0.2 0.675 110.3 63.0 -60.1 -18.3 15.8 70.4 26.4 307 110 B L T 3 S+ 0 0 78 -192,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.571 88.7 85.1 -83.8 -13.6 15.3 71.7 29.9 308 111 B E S < S- 0 0 91 -3,-1.6 2,-0.3 -194,-0.1 -195,-0.1 -0.652 80.6-120.3 -89.5 148.0 14.0 68.4 31.2 309 112 B K - 0 0 113 -2,-0.3 2,-0.4 -197,-0.1 -197,-0.1 -0.678 30.1-145.0 -87.6 141.7 16.2 65.5 32.4 310 113 B L - 0 0 7 -2,-0.3 -197,-0.1 -199,-0.1 -1,-0.0 -0.915 5.1-135.2-116.9 135.6 15.8 62.2 30.5 311 114 B S > - 0 0 44 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.256 41.7 -98.6 -67.7 164.4 16.0 58.6 31.6 312 115 B P H > S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.930 127.1 50.4 -52.8 -42.8 18.0 56.2 29.4 313 116 B E H > S+ 0 0 27 -239,-0.4 4,-2.2 1,-0.2 5,-0.2 0.920 109.1 49.9 -63.7 -42.8 14.7 55.1 27.8 314 117 B E H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 109.9 52.8 -62.1 -37.5 13.6 58.6 27.1 315 118 B R H X S+ 0 0 4 -4,-2.4 4,-3.0 -206,-0.2 -2,-0.2 0.905 107.3 51.3 -61.1 -47.4 17.1 59.2 25.5 316 119 B F H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.904 109.8 49.3 -58.7 -42.1 16.6 56.2 23.2 317 120 B Y H X S+ 0 0 66 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.932 112.8 47.9 -63.7 -43.5 13.2 57.5 22.1 318 121 B E H X S+ 0 0 14 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.926 111.3 50.2 -60.4 -45.1 14.7 60.9 21.4 319 122 B X H X S+ 0 0 6 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.890 112.5 46.7 -61.5 -42.7 17.6 59.5 19.5 320 123 B A H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 -85,-0.4 0.912 115.1 46.4 -66.2 -42.9 15.3 57.4 17.4 321 124 B N H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.885 111.2 51.7 -65.8 -38.1 13.0 60.3 16.7 322 125 B X H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.887 109.1 49.8 -69.1 -40.0 15.9 62.6 15.9 323 126 B Q H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.910 110.2 51.9 -59.1 -44.4 17.4 60.2 13.4 324 127 B S H X S+ 0 0 8 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.914 109.8 47.9 -58.3 -46.1 14.0 59.9 11.8 325 128 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.890 108.2 55.7 -66.6 -38.7 13.6 63.7 11.5 326 129 B G H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.898 105.1 52.4 -56.9 -40.7 17.1 63.9 10.0 327 130 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.916 110.5 48.9 -61.1 -40.9 16.1 61.4 7.4 328 131 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 112.3 46.2 -61.2 -49.7 13.1 63.7 6.6 329 132 B I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.880 111.8 52.1 -68.0 -34.1 15.2 66.9 6.4 330 133 B Q H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.927 108.5 51.1 -65.2 -43.1 17.8 65.1 4.2 331 134 B N H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 111.4 48.5 -56.5 -43.6 15.0 64.0 1.9 332 135 B X H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 111.8 49.1 -60.4 -46.2 13.8 67.6 1.7 333 136 B S H X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.893 112.7 46.4 -60.8 -43.9 17.3 68.9 1.0 334 137 B L H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.868 111.0 52.4 -69.3 -37.7 17.9 66.4 -1.7 335 138 B T H X S+ 0 0 4 -4,-2.3 4,-1.7 -5,-0.3 6,-0.2 0.912 105.1 55.8 -66.0 -39.4 14.5 67.1 -3.3 336 139 B A H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 3,-0.3 0.935 107.2 50.1 -54.5 -45.4 15.4 70.8 -3.3 337 140 B V H ><5S+ 0 0 40 -4,-1.7 3,-1.9 1,-0.2 -1,-0.2 0.931 107.6 53.0 -58.1 -48.0 18.5 70.0 -5.3 338 141 B E H 3<5S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.822 109.2 50.5 -59.2 -30.4 16.5 68.0 -7.8 339 142 B L T 3<5S- 0 0 59 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.350 122.0-102.9 -90.4 4.2 14.1 70.9 -8.3 340 143 B G T < 5S+ 0 0 44 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.612 84.8 119.3 84.8 11.2 16.9 73.5 -8.9 341 144 B L < - 0 0 8 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.3 -0.483 51.9-142.5 -98.9 170.6 16.6 75.0 -5.5 342 145 B G E - K 0 373C 4 31,-3.1 31,-1.8 -2,-0.2 2,-0.3 -0.865 16.9-167.9-122.0 168.2 19.2 75.2 -2.7 343 146 B S E -hK 208 372C 8 -136,-0.6 -134,-2.7 -2,-0.3 2,-0.4 -0.975 17.5-145.0-151.5 164.4 18.7 74.9 1.0 344 147 B L E - K 0 371C 5 27,-2.0 27,-2.4 -2,-0.3 2,-0.4 -0.979 15.2-145.8-134.5 120.0 20.3 75.5 4.4 345 148 B W E - K 0 370C 39 -2,-0.4 2,-0.5 25,-0.2 25,-0.2 -0.726 26.3-158.3 -82.5 134.8 19.7 73.2 7.3 346 149 B I E + K 0 369C 4 23,-2.9 23,-2.0 -2,-0.4 -308,-0.0 -0.958 40.5 156.2-131.6 117.6 19.8 75.2 10.5 347 150 B C > + 0 0 22 -2,-0.5 3,-2.5 21,-0.2 4,-0.2 0.407 63.6 95.1-110.3 2.4 20.4 74.4 14.2 348 151 B D G > + 0 0 24 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.714 67.1 81.8 -61.5 -18.9 21.5 78.0 15.0 349 152 B V G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.724 71.4 77.0 -53.2 -21.9 17.8 78.3 16.0 350 153 B Y G X S+ 0 0 7 -3,-2.5 3,-1.5 1,-0.3 -1,-0.3 0.803 80.4 68.0 -64.5 -24.9 18.8 76.7 19.3 351 154 B F G < S+ 0 0 7 -3,-1.9 -86,-0.3 1,-0.3 -1,-0.3 0.531 113.7 30.8 -68.1 -9.0 20.3 80.1 20.3 352 155 B A G <> S+ 0 0 0 -3,-2.1 4,-3.1 -4,-0.1 5,-0.3 -0.119 82.2 136.5-132.8 36.0 16.6 81.3 20.3 353 156 B Y H <> S+ 0 0 15 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.924 75.9 37.0 -52.8 -54.8 14.9 78.0 21.3 354 157 B R H > S+ 0 0 96 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 117.7 51.4 -68.0 -40.7 12.5 79.3 23.9 355 158 B E H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 112.7 45.6 -64.7 -40.9 11.8 82.5 22.0 356 159 B L H X S+ 0 0 0 -4,-3.1 4,-2.7 -7,-0.2 -2,-0.2 0.883 110.6 52.1 -74.8 -37.9 11.0 80.6 18.7 357 160 B C H X>S+ 0 0 18 -4,-2.4 5,-2.2 -5,-0.3 4,-0.6 0.886 112.3 47.9 -62.3 -37.1 8.8 78.0 20.5 358 161 B E H ><5S+ 0 0 153 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.929 112.8 47.6 -64.9 -47.6 6.9 80.9 22.0 359 162 B W H 3<5S+ 0 0 38 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 113.3 47.8 -60.6 -40.3 6.6 82.7 18.6 360 163 B L H 3<5S- 0 0 5 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.593 105.2-135.2 -76.1 -11.1 5.5 79.4 16.9 361 164 B N T <<5 + 0 0 151 -3,-0.6 2,-0.3 -4,-0.6 -3,-0.2 0.915 56.0 140.1 55.1 49.3 3.0 79.0 19.8 362 165 B T < - 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