==== 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 28-APR-05 1ZJ9 . COMPND 2 MOLECULE: PROBABLE FERREDOXIN-DEPENDENT NITRITE REDUCTASE N . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.SCHNELL,T.SANDALOVA,U.HELLMAN,Y.LINDQVIST,G.SCHNEIDER . 1092 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 743 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 15.0 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 . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 61 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.4 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 1 1 5 2 2 0 3 0 2 4 5 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 PARALLEL BRIDGES PER LADDER . 13 5 5 10 1 0 0 2 2 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 5 3 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 10 A R 0 0 244 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.4 46.1 16.7 -7.9 2 11 A N + 0 0 56 1,-0.1 273,-0.0 2,-0.1 0, 0.0 -0.282 360.0 160.0 -75.3 134.7 45.9 16.8 -4.1 3 12 A E - 0 0 16 -2,-0.1 271,-2.2 2,-0.1 272,-0.9 0.265 67.9 -98.8-128.3 8.6 43.2 15.1 -1.9 4 13 A G + 0 0 2 1,-0.2 2,-0.4 270,-0.2 10,-0.1 0.528 66.3 162.7 93.4 11.3 45.2 15.1 1.4 5 14 A Q > > - 0 0 13 1,-0.1 5,-1.7 266,-0.1 3,-0.9 -0.489 37.3-151.8 -80.3 122.7 46.3 11.5 1.1 6 15 A W G > 5S+ 0 0 26 263,-0.4 3,-2.0 -2,-0.4 5,-0.2 0.909 96.8 55.7 -46.5 -51.7 49.2 10.2 3.1 7 16 A A G 3 5S+ 0 0 41 263,-2.9 -1,-0.2 1,-0.3 264,-0.1 0.754 104.2 52.7 -62.0 -29.0 50.1 7.6 0.5 8 17 A L G < 5S- 0 0 97 -3,-0.9 -1,-0.3 262,-0.4 -2,-0.2 0.398 123.9-101.7 -90.0 5.6 50.4 10.2 -2.3 9 18 A G T < 5S+ 0 0 62 -3,-2.0 2,-1.7 -4,-0.3 -3,-0.2 0.273 87.8 123.8 100.5 -8.4 52.8 12.3 -0.2 10 19 A H < + 0 0 57 -5,-1.7 -3,-0.1 1,-0.2 -4,-0.1 -0.455 17.2 144.3 -90.4 64.7 50.3 14.9 0.9 11 20 A R + 0 0 140 -2,-1.7 -1,-0.2 -5,-0.2 -5,-0.1 0.374 34.6 117.9 -80.7 0.8 50.7 14.5 4.6 12 21 A E S S- 0 0 147 -3,-0.1 7,-0.1 -7,-0.1 6,-0.0 -0.549 73.9-108.9 -75.7 129.7 50.1 18.3 5.0 13 22 A P + 0 0 48 0, 0.0 -1,-0.1 0, 0.0 262,-0.1 -0.274 37.9 171.9 -63.7 142.9 47.0 19.2 7.1 14 23 A L + 0 0 77 260,-0.5 2,-0.3 -10,-0.1 261,-0.1 0.395 62.8 52.1-127.6 -5.6 44.0 20.7 5.2 15 24 A N S > S- 0 0 22 259,-0.1 4,-1.4 1,-0.1 261,-0.1 -0.822 78.9-123.1-122.1 163.8 41.4 20.7 7.9 16 25 A A H > S+ 0 0 68 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.847 120.0 53.5 -66.0 -38.5 41.2 22.0 11.5 17 26 A N H > S+ 0 0 63 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.858 111.5 41.7 -64.8 -40.8 40.4 18.3 12.3 18 27 A E H > S+ 0 0 3 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.793 112.0 59.1 -71.7 -31.5 43.5 17.1 10.5 19 28 A E H >< S+ 0 0 125 -4,-1.4 3,-0.9 1,-0.2 -2,-0.2 0.920 101.1 52.8 -61.2 -48.2 45.4 20.0 12.1 20 29 A L H 3< S+ 0 0 33 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.702 104.4 56.1 -68.1 -18.8 44.5 18.8 15.6 21 30 A K H 3< S+ 0 0 9 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.716 98.4 60.7 -83.2 -22.5 45.9 15.3 15.0 22 31 A K S << S+ 0 0 83 -3,-0.9 2,-0.9 -4,-0.8 -1,-0.2 0.464 88.8 82.2 -78.6 -3.7 49.3 16.6 13.9 23 32 A A S S- 0 0 46 -3,-0.5 -1,-0.2 1,-0.3 -4,-0.0 -0.711 115.0 -61.5-103.6 78.7 49.5 18.1 17.4 24 33 A G S S- 0 0 57 -2,-0.9 -1,-0.3 3,-0.0 3,-0.1 0.016 87.4 -45.1 69.1 175.9 50.7 15.1 19.4 25 34 A N > - 0 0 47 1,-0.2 3,-2.0 -3,-0.1 4,-0.1 -0.722 52.3-142.9 -76.6 121.9 48.7 11.8 19.7 26 35 A P G > S+ 0 0 5 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.888 97.7 63.2 -53.8 -43.9 45.1 12.7 20.4 27 36 A L G > S+ 0 0 12 1,-0.3 3,-1.4 2,-0.1 -3,-0.0 0.678 82.0 81.9 -53.7 -23.2 44.6 9.8 22.8 28 37 A D G X> + 0 0 82 -3,-2.0 3,-1.0 1,-0.3 4,-0.7 0.511 65.7 90.3 -61.4 -4.5 47.3 11.3 25.1 29 38 A V H <> + 0 0 0 -3,-1.7 4,-1.2 1,-0.2 -1,-0.3 0.560 64.9 81.2 -72.8 -4.7 44.6 13.5 26.5 30 39 A R H <> S+ 0 0 62 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.814 87.9 52.7 -72.6 -33.9 43.8 10.9 29.2 31 40 A E H <> S+ 0 0 100 -3,-1.0 4,-3.6 1,-0.2 5,-0.4 0.989 107.7 53.1 -61.5 -56.9 46.7 12.1 31.4 32 41 A R H X>S+ 0 0 76 -4,-0.7 5,-2.9 1,-0.2 4,-1.1 0.733 107.3 51.9 -50.5 -31.3 45.2 15.6 31.1 33 42 A I H <>S+ 0 0 0 -4,-1.2 5,-3.0 3,-0.2 6,-0.5 0.977 119.5 33.4 -66.9 -56.5 41.8 14.4 32.3 34 43 A E H <5S+ 0 0 78 -4,-1.9 -2,-0.2 3,-0.2 -3,-0.2 0.948 128.2 38.5 -66.1 -51.8 43.1 12.6 35.4 35 44 A N H <5S+ 0 0 110 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.1 0.967 137.7 0.5 -59.0 -56.9 46.0 15.0 36.1 36 45 A I T >X5S+ 0 0 68 -4,-1.1 4,-1.9 -5,-0.4 3,-0.8 0.929 121.7 45.5-104.5 -68.2 44.2 18.3 35.2 37 46 A Y H 3>X - 0 0 5 -4,-2.9 3,-1.9 -5,-0.2 4,-0.8 -0.405 35.7 -39.6 113.5 175.9 36.5 21.2 35.9 42 51 A F G >4 S+ 0 0 31 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.770 125.4 53.1 -43.8 -45.1 34.7 21.9 32.6 43 52 A D G 34 S+ 0 0 151 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.626 101.1 59.8 -79.7 -12.6 36.0 25.5 32.1 44 53 A S G <4 S+ 0 0 46 -3,-1.9 2,-0.5 -7,-0.2 -1,-0.2 0.781 79.2 109.1 -77.9 -28.2 39.6 24.6 32.5 45 54 A I S << S- 0 0 8 -4,-0.8 -12,-0.0 -3,-0.7 5,-0.0 -0.355 75.7-125.0 -62.8 105.9 39.4 22.2 29.5 46 55 A D > - 0 0 78 -2,-0.5 4,-2.6 1,-0.1 3,-0.5 -0.132 22.6-123.6 -37.2 137.7 41.3 23.7 26.6 47 56 A K H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.751 107.9 55.1 -76.3 -21.7 38.8 23.9 23.7 48 57 A T H >>S+ 0 0 71 2,-0.2 5,-1.2 3,-0.2 4,-0.8 0.724 113.4 45.1 -80.6 -19.6 40.8 21.8 21.2 49 58 A D H 4>S+ 0 0 0 -3,-0.5 5,-2.3 3,-0.2 6,-0.2 0.927 113.5 48.2 -77.4 -55.0 40.9 19.0 23.8 50 59 A L H <5S+ 0 0 5 -4,-2.6 11,-0.2 1,-0.2 -2,-0.2 0.842 124.7 30.1 -54.1 -40.8 37.3 19.3 24.7 51 60 A R H <5S+ 0 0 64 -4,-1.7 -1,-0.2 -5,-0.2 -3,-0.2 0.736 134.4 22.3 -97.0 -26.9 36.1 19.3 21.1 52 61 A G T ><5S+ 0 0 4 -4,-0.8 3,-1.7 -5,-0.2 4,-0.4 0.838 124.2 33.0-101.0 -74.4 38.8 17.2 19.4 53 62 A R G > XS+ 0 0 1 -5,-2.3 5,-2.1 1,-0.2 3,-1.0 0.702 87.8 69.6 -61.8 -20.8 38.0 14.0 24.1 55 64 A R G X 5S+ 0 0 84 -3,-1.7 3,-2.1 1,-0.3 97,-1.1 0.885 85.9 62.8 -69.6 -40.0 36.5 12.0 21.2 56 65 A W G < 5S+ 0 0 5 -3,-0.7 94,-3.7 -4,-0.4 -1,-0.3 0.551 107.1 48.0 -60.2 -9.6 39.2 9.3 21.3 57 66 A W G < 5S- 0 0 27 -3,-1.0 -1,-0.3 92,-0.2 -2,-0.2 0.130 123.4 -99.4-121.0 17.1 38.0 8.5 24.8 58 67 A G T < 5S+ 0 0 0 -3,-2.1 30,-2.4 1,-0.2 2,-0.6 0.712 79.8 132.2 78.4 22.0 34.2 8.4 24.2 59 68 A L E < +A 87 0A 0 -5,-2.1 2,-0.4 28,-0.2 28,-0.2 -0.888 22.3 165.6-116.9 101.7 33.5 11.9 25.4 60 69 A Y E -A 86 0A 37 26,-2.2 26,-3.0 -2,-0.6 2,-0.2 -0.917 40.0-116.7-106.5 143.2 31.3 14.1 23.3 61 70 A T E -A 85 0A 7 -2,-0.4 354,-0.3 24,-0.2 24,-0.2 -0.560 32.1-130.4 -78.1 139.2 29.9 17.2 24.8 62 71 A Q E - 0 0 2 22,-1.8 20,-2.6 -2,-0.2 22,-0.2 -0.466 28.5 -88.4 -89.4 166.8 26.1 17.2 25.0 63 72 A R E -A 81 0A 4 350,-2.3 18,-0.2 18,-0.2 2,-0.2 -0.461 41.3-111.9 -76.1 142.2 23.7 20.0 23.8 64 73 A E - 0 0 74 16,-3.3 3,-0.4 -2,-0.2 -1,-0.1 -0.509 46.6 -89.5 -74.9 145.7 22.7 22.7 26.2 65 74 A Q S S+ 0 0 100 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.114 96.8 15.1 -63.3 144.4 19.1 22.8 27.3 66 75 A G S S+ 0 0 79 1,-0.2 2,-0.4 346,-0.1 -1,-0.2 0.872 79.4 125.3 63.6 45.6 16.3 24.6 25.4 67 76 A Y - 0 0 60 -3,-0.4 -1,-0.2 344,-0.2 2,-0.0 -0.971 43.4-158.8-124.7 116.5 17.8 25.4 22.1 68 77 A D > - 0 0 77 -2,-0.4 3,-3.1 -3,-0.1 4,-0.3 -0.213 43.1 -74.9 -85.1-178.7 15.7 24.1 19.1 69 78 A G G > S+ 0 0 5 349,-0.5 3,-1.8 1,-0.3 403,-0.1 0.754 122.9 76.2 -46.5 -34.7 16.7 23.4 15.5 70 79 A T G 3 S+ 0 0 95 1,-0.3 -1,-0.3 410,-0.2 348,-0.0 0.808 100.0 44.0 -40.9 -38.1 16.8 27.2 14.9 71 80 A W G < S+ 0 0 112 -3,-3.1 2,-0.4 347,-0.0 -1,-0.3 0.525 84.7 119.6 -92.3 -6.8 20.1 27.2 16.8 72 81 A T < + 0 0 26 -3,-1.8 2,-0.2 -4,-0.3 344,-0.1 -0.464 40.7 94.4 -73.8 116.4 21.7 24.1 15.1 73 82 A G S > S- 0 0 27 -2,-0.4 3,-1.5 342,-0.4 4,-0.1 -0.904 80.9 -95.4 174.1 160.0 25.0 24.8 13.3 74 83 A D G > S+ 0 0 137 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.740 116.7 61.5 -58.1 -23.1 28.8 24.8 13.5 75 84 A D G 3 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.331 95.9 57.4 -92.8 4.0 28.7 28.6 14.4 76 85 A N G X> + 0 0 38 -3,-1.5 4,-2.1 1,-0.1 3,-0.8 0.170 66.6 122.3-116.3 14.7 26.7 28.3 17.7 77 86 A I H <> + 0 0 61 -3,-0.7 4,-2.2 1,-0.3 -2,-0.1 0.857 70.0 53.9 -50.2 -49.5 29.0 25.9 19.5 78 87 A D H 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.889 114.9 42.2 -56.6 -38.6 29.7 28.1 22.6 79 88 A K H <4 S+ 0 0 117 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 116.8 46.9 -69.4 -41.3 25.9 28.4 23.1 80 89 A L H < S+ 0 0 5 -4,-2.1 -16,-3.3 -9,-0.1 2,-0.8 0.678 86.4 99.5 -80.2 -23.3 25.1 24.7 22.4 81 90 A E E < -A 63 0A 22 -4,-2.2 -18,-0.2 -5,-0.2 2,-0.1 -0.569 58.5-161.2 -71.7 106.0 27.8 23.2 24.5 82 91 A A E - 0 0 1 -20,-2.6 -20,-0.2 -2,-0.8 -18,-0.1 -0.504 30.3-115.7 -77.4 160.0 26.4 22.1 27.9 83 92 A K E S+ 0 0 91 -2,-0.1 48,-0.3 -22,-0.1 2,-0.2 0.223 91.9 85.3 -84.0 17.4 28.9 21.5 30.7 84 93 A Y E - 0 0 45 -22,-0.2 -22,-1.8 46,-0.1 2,-0.4 -0.677 69.1-131.9-113.7 167.3 27.9 17.8 30.7 85 94 A F E -AB 61 129A 0 44,-2.3 44,-1.8 -24,-0.2 2,-0.7 -0.934 11.6-141.6-126.5 144.8 29.0 14.8 28.6 86 95 A M E -A 60 0A 14 -26,-3.0 -26,-2.2 -2,-0.4 2,-0.5 -0.930 29.9-163.8 -90.9 112.8 27.7 11.9 26.7 87 96 A M E -AB 59 126A 0 -2,-0.7 39,-2.5 39,-0.6 2,-0.5 -0.903 2.8-155.0-101.6 125.3 30.2 9.2 27.5 88 97 A R E - B 0 125A 44 -30,-2.4 2,-0.6 -2,-0.5 37,-0.2 -0.891 4.4-148.7-105.2 123.7 30.1 6.2 25.2 89 98 A V E - B 0 124A 0 35,-2.4 35,-0.9 -2,-0.5 2,-0.4 -0.848 19.5-126.7 -98.9 120.2 31.2 2.8 26.6 90 99 A R B +F 147 0B 5 57,-1.5 57,-0.6 -2,-0.6 2,-0.5 -0.478 28.9 177.8 -74.5 116.0 32.8 0.5 23.9 91 100 A C > - 0 0 2 -2,-0.4 3,-2.8 30,-0.2 2,-0.8 -0.657 15.1-158.1-121.5 77.4 31.2 -2.9 23.7 92 101 A D T 3 S+ 0 0 31 -2,-0.5 3,-0.3 1,-0.3 68,-0.2 -0.357 86.3 2.7 -55.7 98.1 32.9 -4.9 21.0 93 102 A G T 3 S- 0 0 8 66,-1.0 -1,-0.3 -2,-0.8 72,-0.2 0.304 106.8 -94.2 112.1 -4.2 30.2 -7.4 20.3 94 103 A G S < S+ 0 0 0 -3,-2.8 272,-0.7 1,-0.3 -1,-0.2 0.291 82.3 154.1 72.8 -7.3 27.5 -6.3 22.7 95 104 A A E +G 365 0C 44 -3,-0.3 2,-0.3 270,-0.2 -1,-0.3 -0.267 11.7 154.4 -65.7 128.9 29.3 -8.9 24.9 96 105 A L E -G 364 0C 14 268,-1.7 268,-2.2 -3,-0.1 2,-0.1 -0.995 37.7-131.2-153.9 145.5 29.1 -8.5 28.6 97 106 A S > - 0 0 39 -2,-0.3 4,-2.5 47,-0.2 266,-0.2 -0.432 37.5-111.0 -81.2 167.9 29.2 -10.4 31.9 98 107 A A H > S+ 0 0 6 264,-0.3 4,-2.6 2,-0.2 5,-0.1 0.856 122.0 55.0 -71.2 -34.5 26.4 -9.8 34.5 99 108 A A H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 110.4 47.2 -57.0 -45.7 29.0 -8.1 36.8 100 109 A A H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.937 111.9 47.9 -62.1 -49.5 29.8 -5.8 33.8 101 110 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.916 110.3 55.3 -57.9 -40.7 26.1 -5.1 33.1 102 111 A R H X S+ 0 0 64 -4,-2.6 4,-2.2 1,-0.2 3,-0.5 0.945 106.4 49.2 -54.7 -53.6 25.8 -4.4 36.8 103 112 A T H X S+ 0 0 19 -4,-2.4 4,-3.3 1,-0.3 5,-0.3 0.900 107.3 54.6 -54.5 -47.7 28.5 -1.8 36.8 104 113 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.3 0.839 109.0 50.8 -54.7 -37.2 26.9 -0.0 33.8 105 114 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.5 -2,-0.2 0.960 114.3 40.3 -64.8 -52.7 23.7 0.2 35.8 106 115 A Q H X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.863 109.9 58.5 -71.1 -36.4 25.2 1.7 38.9 107 116 A I H X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.2 5,-0.4 0.895 112.6 42.9 -56.0 -39.5 27.6 4.0 37.0 108 117 A S H X S+ 0 0 0 -4,-1.3 6,-2.3 -5,-0.3 4,-1.9 0.921 112.9 48.5 -71.5 -50.0 24.4 5.5 35.4 109 118 A T H < S+ 0 0 71 -4,-2.4 -2,-0.2 5,-0.2 -1,-0.2 0.880 123.6 36.2 -58.8 -35.5 22.2 5.7 38.5 110 119 A E H < S+ 0 0 105 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.850 133.6 15.7 -90.5 -40.8 25.1 7.3 40.3 111 120 A F H < S+ 0 0 29 -4,-2.7 19,-0.3 -5,-0.3 -3,-0.2 0.601 124.2 45.8-114.2 -13.8 26.9 9.5 37.8 112 121 A A S >< S- 0 0 0 -4,-1.9 3,-3.5 -5,-0.4 15,-0.4 -0.220 106.7-102.9-133.9 36.9 24.6 10.0 34.8 113 122 A R T 3 S- 0 0 142 1,-0.3 -4,-0.2 15,-0.2 -3,-0.1 0.812 78.9 -61.7 40.9 44.9 21.2 10.8 36.3 114 123 A D T 3 S+ 0 0 44 -6,-2.3 232,-2.8 1,-0.2 2,-0.4 0.484 97.1 147.5 61.3 8.6 20.1 7.2 35.6 115 124 A T E < +C 345 0A 22 -3,-3.5 2,-0.3 -7,-0.4 12,-0.3 -0.591 8.5 151.4 -77.3 130.1 20.5 7.7 31.8 116 125 A A E +C 344 0A 0 228,-0.9 228,-1.2 -2,-0.4 2,-0.4 -0.886 13.8 177.8-151.4 124.8 21.5 4.7 29.9 117 126 A D E -CD 343 125A 3 8,-1.8 8,-2.0 -2,-0.3 2,-0.6 -0.994 26.3-130.1-131.2 129.4 20.6 4.2 26.2 118 127 A I E - 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0 0 3 0, 0.0 2,-0.6 0, 0.0 3,-0.2 -0.292 45.5 -92.4 -76.8-178.0 13.2 -1.4 24.8 340 349 A I B > S-E 343 0A 15 3,-0.6 3,-2.4 1,-0.2 86,-0.1 -0.912 97.4 -20.8-103.2 123.3 11.8 1.6 22.8 341 350 A A T 3 S- 0 0 1 64,-0.7 -1,-0.2 -2,-0.6 65,-0.1 0.876 120.8 -62.7 47.1 46.9 14.5 3.3 20.7 342 351 A G T 3 S+ 0 0 1 28,-0.3 -224,-2.5 -3,-0.2 2,-1.0 0.445 94.3 152.5 67.0 2.3 17.2 1.7 22.9 343 352 A R E < +CE 117 340A 57 -3,-2.4 -3,-0.6 -226,-0.2 2,-0.2 -0.538 5.6 137.8 -82.0 100.9 15.9 3.6 25.9 344 353 A V E -C 116 0A 7 -228,-1.2 -228,-0.9 -2,-1.0 2,-0.3 -0.593 40.9-125.1-116.7-174.4 16.6 1.9 29.2 345 354 A S E > -C 115 0A 25 -2,-0.2 4,-2.1 -230,-0.2 -230,-0.2 -0.844 26.0-104.3-128.9 166.7 17.8 3.4 32.5 346 355 A G H > S+ 0 0 0 -232,-2.8 4,-1.8 -2,-0.3 5,-0.2 0.951 124.8 50.7 -49.6 -50.4 20.7 3.0 35.0 347 356 A T H > S+ 0 0 76 1,-0.2 4,-2.9 -233,-0.2 5,-0.2 0.908 106.9 53.3 -53.5 -49.7 18.1 1.2 37.3 348 357 A I H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 105.8 52.1 -58.0 -49.0 16.9 -1.1 34.5 349 358 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.908 114.4 42.2 -54.9 -49.7 20.4 -2.4 33.7 350 359 A T H X S+ 0 0 24 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.941 112.9 52.8 -59.6 -50.8 21.2 -3.3 37.3 351 360 A A H X S+ 0 0 31 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.818 113.0 46.7 -56.1 -31.2 17.7 -4.7 37.8 352 361 A V H X S+ 0 0 1 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.880 105.8 56.3 -76.7 -44.3 18.4 -6.9 34.7 353 362 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.880 108.3 51.2 -56.9 -36.2 21.9 -7.9 35.8 354 363 A D H X S+ 0 0 73 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.899 103.8 54.5 -69.0 -41.9 20.2 -9.3 39.0 355 364 A L H X S+ 0 0 35 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.839 106.5 55.3 -60.1 -31.4 17.6 -11.3 37.1 356 365 A M H X>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 4,-1.2 0.921 103.1 52.8 -65.6 -48.7 20.5 -12.9 35.3 357 366 A A H ><5S+ 0 0 62 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.936 107.4 53.8 -49.6 -50.5 22.1 -14.0 38.6 358 367 A R H 3<5S+ 0 0 194 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.802 112.4 43.7 -52.7 -35.7 18.7 -15.6 39.4 359 368 A A H 3<5S- 0 0 6 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.561 112.9-115.9 -89.4 -10.5 18.8 -17.5 36.1 360 369 A G T <<5 + 0 0 21 -4,-1.2 2,-0.4 -3,-1.0 -3,-0.2 0.582 68.1 146.6 84.8 10.3 22.5 -18.6 36.4 361 370 A S < + 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.681 24.9 167.0 -89.0 128.2 23.1 -16.5 33.3 362 371 A D + 0 0 41 -2,-0.4 2,-0.5 -3,-0.1 -264,-0.3 0.329 56.1 80.5-117.2 4.3 26.4 -14.7 32.9 363 372 A R + 0 0 47 12,-0.3 12,-2.8 -266,-0.2 2,-0.3 -0.951 46.3 161.5-122.1 123.6 26.2 -13.7 29.2 364 373 A I E -GJ 96 374C 0 -268,-2.2 -268,-1.7 -2,-0.5 2,-0.4 -0.988 15.6-161.4-133.8 143.4 24.3 -10.8 27.7 365 374 A R E -GJ 95 373C 23 8,-2.7 8,-3.0 -2,-0.3 -270,-0.2 -0.991 12.5-138.9-126.7 135.6 24.6 -9.1 24.4 366 375 A F E - J 0 372C 0 -272,-0.7 6,-0.3 -2,-0.4 -271,-0.1 -0.565 30.2-124.7 -80.6 160.0 23.5 -5.7 23.1 367 376 A T > - 0 0 1 4,-2.8 3,-1.8 -2,-0.2 -245,-0.7 -0.819 12.1-129.1-119.9 139.8 22.1 -5.5 19.6 368 377 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -159,-0.1 0.525 114.8 57.9 -58.4 -10.3 22.9 -3.6 16.4 369 378 A Y T 3 S- 0 0 37 -48,-0.2 -27,-0.2 2,-0.1 -249,-0.2 -0.115 128.4 -98.9-111.7 33.3 19.2 -2.8 16.4 370 379 A Q S < S+ 0 0 5 -3,-1.8 -28,-0.3 -251,-0.4 -252,-0.2 0.674 88.2 120.4 61.7 22.8 19.4 -1.2 19.9 371 380 A K - 0 0 6 -33,-0.1 -4,-2.8 -50,-0.1 2,-0.4 -0.504 52.3-140.0-103.6 174.4 18.1 -4.4 21.5 372 381 A L E -IJ 337 366C 0 -35,-1.5 -35,-2.7 -6,-0.3 2,-0.4 -0.985 9.5-163.6-140.0 138.2 19.5 -6.7 24.2 373 382 A V E -IJ 336 365C 1 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.4 -0.942 10.4-146.0-118.8 135.5 19.5 -10.5 24.5 374 383 A I E -IJ 335 364C 1 -39,-2.4 -39,-3.2 -2,-0.4 3,-0.2 -0.807 21.7-151.7 -93.4 137.7 20.2 -12.7 27.5 375 384 A L E + 0 0 0 -12,-2.8 -12,-0.3 -2,-0.4 -41,-0.2 -0.601 61.2 28.1-105.6 169.5 21.9 -16.0 26.9 376 385 A D E + 0 0 6 1,-0.2 -42,-0.2 -2,-0.2 -1,-0.2 0.822 63.9 162.2 49.0 44.6 21.9 -19.4 28.6 377 386 A I E -I 333 0C 0 -44,-2.8 -44,-3.3 -3,-0.2 2,-0.3 -0.840 33.3-138.6 -85.7 124.3 18.5 -19.4 30.2 378 387 A P > - 0 0 25 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.640 21.5-114.5 -77.5 142.5 17.6 -22.9 31.1 379 388 A D G >> S+ 0 0 84 -2,-0.3 3,-2.1 1,-0.3 4,-0.5 0.902 113.5 61.9 -34.8 -57.1 14.0 -23.8 30.4 380 389 A A G 34 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.741 112.7 33.2 -45.3 -35.6 13.4 -24.2 34.2 381 390 A L G <4 S+ 0 0 71 -3,-1.8 4,-0.3 -22,-0.1 -1,-0.3 0.100 94.7 94.8-114.8 22.7 14.2 -20.6 35.1 382 391 A L T X> S+ 0 0 27 -3,-2.1 4,-2.6 -4,-0.2 3,-0.9 0.941 79.1 48.4 -83.5 -52.7 12.9 -18.9 31.9 383 392 A D H 3X S+ 0 0 114 -4,-0.5 4,-2.2 1,-0.3 5,-0.2 0.842 109.9 53.9 -59.3 -39.9 9.3 -17.8 32.7 384 393 A D H 3> S+ 0 0 91 2,-0.2 4,-0.7 -4,-0.2 -1,-0.3 0.694 112.6 47.1 -65.6 -24.5 10.4 -16.2 36.0 385 394 A L H X> S+ 0 0 5 -3,-0.9 4,-2.5 -4,-0.3 3,-0.5 0.952 109.3 48.9 -79.7 -64.6 13.0 -14.3 33.9 386 395 A I H 3X S+ 0 0 27 -4,-2.6 4,-3.0 1,-0.3 5,-0.2 0.874 114.3 48.3 -39.5 -49.5 10.7 -13.1 31.1 387 396 A A H 3X S+ 0 0 63 -4,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.873 109.2 53.7 -62.5 -38.0 8.2 -11.9 33.8 388 397 A G H << S+ 0 0 16 -4,-0.7 4,-0.5 -3,-0.5 -2,-0.2 0.892 114.5 41.3 -59.9 -40.7 11.1 -10.2 35.6 389 398 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.6 2,-0.2 3,-0.8 0.845 109.5 55.9 -76.6 -39.8 12.0 -8.3 32.4 390 399 A D H ><5S+ 0 0 74 -4,-3.0 3,-1.9 -5,-0.3 -2,-0.2 0.915 102.4 60.5 -58.7 -42.0 8.4 -7.5 31.3 391 400 A A T 3<5S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.755 104.8 46.6 -51.1 -34.5 8.1 -5.9 34.7 392 401 A L T < 5S- 0 0 55 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.410 126.7-103.9 -88.7 0.9 11.0 -3.5 33.8 393 402 A G T < 5S+ 0 0 29 -3,-1.9 2,-0.4 -4,-0.2 -3,-0.2 0.951 79.2 135.7 71.4 51.5 9.2 -2.9 30.5 394 403 A L < - 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