==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-AUG-06 2I0Z . COMPND 2 MOLECULE: NAD(FAD)-UTILIZING DEHYDROGENASES; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR G.MINASOV,L.SHUVALOVA,I.I.VORONTSOV,O.KIRYUKHINA,J.ABDULLAH, . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 25 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 1 2 0 1 0 2 0 2 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 0 PARALLEL BRIDGES PER LADDER . 3 5 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 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 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 M 0 0 113 0, 0.0 155,-0.1 0, 0.0 153,-0.1 0.000 360.0 360.0 360.0 85.8 -4.5 40.3 -19.9 2 2 A H + 0 0 163 153,-0.1 2,-0.5 1,-0.1 154,-0.1 0.867 360.0 66.5 -62.6 -35.4 -6.4 38.6 -22.6 3 3 A Y - 0 0 39 152,-0.7 154,-0.3 1,-0.1 155,-0.3 -0.798 54.4-168.1-109.8 127.2 -6.3 35.3 -20.7 4 4 A D S S+ 0 0 55 23,-1.2 2,-0.4 -2,-0.5 153,-0.3 0.894 88.0 11.7 -65.8 -42.4 -7.9 34.3 -17.3 5 5 A V E -a 28 0A 0 22,-1.7 24,-2.1 152,-0.1 2,-0.5 -0.999 64.6-159.5-140.3 137.4 -5.7 31.1 -17.1 6 6 A I E -ab 29 159A 0 152,-2.1 154,-2.7 -2,-0.4 2,-0.5 -0.987 8.5-161.1-114.7 123.2 -2.7 30.0 -19.1 7 7 A V E -ab 30 160A 0 22,-3.1 24,-2.8 -2,-0.5 2,-0.7 -0.912 6.2-153.7-103.5 127.3 -1.9 26.3 -19.1 8 8 A I E +ab 31 161A 6 152,-2.8 154,-2.3 -2,-0.5 24,-0.2 -0.888 64.6 30.2-103.8 108.2 1.7 25.4 -20.1 9 9 A G - 0 0 6 22,-3.1 23,-0.2 -2,-0.7 22,-0.1 0.202 60.8-140.6 116.0 127.6 1.9 21.9 -21.6 10 10 A G + 0 0 0 4,-0.2 28,-1.4 26,-0.1 -1,-0.1 -0.245 59.9 116.7-114.6 41.5 -0.6 19.8 -23.5 11 11 A G S > S- 0 0 22 151,-0.5 4,-2.7 26,-0.2 5,-0.3 -0.206 91.3 -72.6 -80.3-171.1 0.0 16.3 -22.1 12 12 A P H > S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.861 135.3 48.3 -57.7 -39.2 -2.8 14.6 -20.2 13 13 A S H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.963 114.3 44.2 -68.3 -48.6 -2.5 16.9 -17.2 14 14 A G H > S+ 0 0 0 148,-0.4 4,-2.8 2,-0.2 5,-0.2 0.870 112.5 52.3 -61.9 -41.6 -2.4 20.1 -19.2 15 15 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.926 113.0 44.5 -61.8 -44.5 -5.3 19.0 -21.4 16 16 A M H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.3 -2,-0.2 0.869 112.2 53.2 -67.5 -34.5 -7.4 18.2 -18.3 17 17 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.937 109.7 47.6 -64.6 -45.8 -6.4 21.5 -16.6 18 18 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.914 114.5 46.1 -61.9 -42.3 -7.5 23.5 -19.7 19 19 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.943 112.8 51.4 -62.6 -49.3 -10.8 21.6 -19.8 20 20 A G H X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.875 113.7 43.5 -52.5 -45.0 -11.2 22.1 -16.0 21 21 A A H <>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 3,-0.4 0.898 112.9 50.7 -71.0 -40.0 -10.6 25.9 -16.2 22 22 A A H ><5S+ 0 0 13 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.814 104.2 58.3 -70.7 -30.9 -12.8 26.4 -19.3 23 23 A E H 3<5S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.793 101.0 57.7 -66.5 -29.3 -15.7 24.6 -17.6 24 24 A E T 3<5S- 0 0 51 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.345 126.8-103.6 -78.6 2.6 -15.4 27.2 -14.9 25 25 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.485 72.5 144.4 90.2 5.8 -16.0 29.9 -17.5 26 26 A A < - 0 0 16 -5,-1.8 2,-0.7 1,-0.1 -1,-0.3 -0.398 56.9-119.1 -77.2 149.1 -12.4 31.1 -17.8 27 27 A N - 0 0 73 -2,-0.1 -22,-1.7 -25,-0.1 -23,-1.2 -0.843 46.0-162.9 -84.4 116.9 -10.9 32.3 -21.1 28 28 A V E -a 5 0A 1 -2,-0.7 98,-2.4 96,-0.2 2,-0.4 -0.876 22.8-164.0-118.5 136.4 -8.1 29.8 -21.4 29 29 A L E -ac 6 126A 0 -24,-2.1 -22,-3.1 -2,-0.4 2,-0.5 -0.976 7.8-162.4-112.6 134.5 -4.9 29.6 -23.4 30 30 A L E -ac 7 127A 0 96,-3.1 98,-2.5 -2,-0.4 2,-0.4 -0.963 10.4-166.4-118.5 115.7 -3.1 26.3 -23.7 31 31 A L E +ac 8 128A 0 -24,-2.8 -22,-3.1 -2,-0.5 2,-0.3 -0.805 8.3 178.1-104.6 138.1 0.6 26.5 -24.9 32 32 A D - 0 0 21 96,-2.2 99,-2.6 -2,-0.4 5,-0.1 -0.994 29.5-144.3-140.8 142.3 2.8 23.7 -26.1 33 33 A K S S+ 0 0 69 -2,-0.3 -1,-0.1 97,-0.2 139,-0.1 0.796 79.9 77.2 -60.6 -37.7 6.4 23.5 -27.4 34 34 A G S S- 0 0 3 2,-0.2 96,-2.7 137,-0.2 97,-0.3 -0.256 86.2-119.5 -81.0 166.1 5.6 20.8 -29.9 35 35 A N S S+ 0 0 106 94,-0.2 2,-0.4 95,-0.1 94,-0.1 0.709 103.7 36.3 -73.5 -21.1 3.9 20.8 -33.3 36 36 A K S S- 0 0 144 93,-0.0 3,-0.5 0, 0.0 -2,-0.2 -0.980 83.4-124.5-129.7 146.2 1.3 18.4 -31.8 37 37 A L S S+ 0 0 13 -2,-0.4 -26,-0.2 1,-0.2 5,-0.1 -0.491 90.3 24.3 -75.8 154.6 -0.3 18.2 -28.4 38 38 A G > + 0 0 3 -28,-1.4 4,-2.5 -2,-0.2 -1,-0.2 0.794 67.4 154.7 65.3 33.7 -0.1 14.9 -26.4 39 39 A R H > S+ 0 0 72 -3,-0.5 4,-0.8 132,-0.3 5,-0.1 0.930 79.9 38.8 -60.3 -45.9 3.0 13.5 -28.1 40 40 A K H >> S+ 0 0 55 131,-0.4 4,-1.1 2,-0.2 3,-0.8 0.911 114.3 55.1 -70.6 -40.4 4.0 11.3 -25.1 41 41 A L H >4 S+ 0 0 5 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.898 104.0 57.0 -55.1 -40.8 0.2 10.5 -24.5 42 42 A A H 3< S+ 0 0 26 -4,-2.5 67,-0.3 1,-0.2 -1,-0.2 0.749 111.9 40.3 -64.1 -26.2 0.1 9.3 -28.2 43 43 A I H S+ 0 0 21 -4,-1.1 5,-2.1 -3,-0.5 3,-1.4 -0.114 71.4 20.4 -61.1 157.3 1.7 5.7 -24.1 45 45 A G G >45S- 0 0 29 1,-0.3 3,-1.6 3,-0.2 -1,-0.2 0.859 137.3 -58.2 54.6 41.7 0.6 2.1 -23.3 46 46 A G G 345S- 0 0 82 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.801 106.6 -48.3 57.6 30.9 2.4 0.8 -26.4 47 47 A G G <<5S+ 0 0 32 -3,-1.4 62,-2.4 -4,-0.8 63,-0.4 0.412 138.3 81.9 90.0 -1.5 0.4 3.1 -28.6 48 48 A R T < 5S- 0 0 69 -3,-1.6 -3,-0.2 -4,-0.4 60,-0.2 0.600 92.1-128.0-104.2 -21.5 -2.9 2.0 -27.0 49 49 A C < - 0 0 0 -5,-2.1 2,-1.4 1,-0.2 -4,-0.2 0.943 3.9-139.9 67.4 99.4 -2.8 4.3 -23.9 50 50 A N - 0 0 8 1,-0.2 348,-0.3 53,-0.1 53,-0.2 -0.744 32.9-179.6 -80.0 90.4 -3.3 2.6 -20.4 51 51 A V - 0 0 0 -2,-1.4 2,-0.2 51,-1.0 -1,-0.2 0.903 50.2 -23.1 -70.8 -47.3 -5.4 5.6 -19.4 52 52 A T E -G 102 0B 0 50,-0.7 50,-2.8 -3,-0.2 2,-0.4 -0.808 59.9-111.3-149.5-171.2 -6.3 4.6 -15.9 53 53 A N E -G 101 0B 0 -2,-0.2 48,-0.2 48,-0.2 47,-0.1 -0.999 9.4-151.4-139.2 135.1 -6.7 1.6 -13.5 54 54 A R + 0 0 88 46,-2.8 46,-0.1 -2,-0.4 47,-0.1 0.248 56.1 120.8 -95.1 9.3 -10.0 0.3 -12.1 55 55 A L S S- 0 0 36 44,-0.2 25,-0.1 45,-0.1 -2,-0.1 -0.277 74.8 -83.6 -66.4 155.7 -8.6 -1.1 -8.8 56 56 A P >> - 0 0 75 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.270 44.5 -98.7 -63.5 157.7 -10.0 0.2 -5.5 57 57 A L H 3> S+ 0 0 72 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.783 120.6 52.0 -39.5 -50.1 -8.6 3.5 -4.0 58 58 A D H 3> S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.882 111.6 47.1 -67.6 -34.9 -6.3 1.8 -1.5 59 59 A E H <> S+ 0 0 84 -3,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.873 109.4 54.7 -71.0 -38.3 -4.7 -0.3 -4.2 60 60 A I H >< S+ 0 0 1 -4,-2.1 3,-0.7 2,-0.2 -2,-0.2 0.957 110.3 45.7 -57.1 -51.1 -4.3 2.8 -6.5 61 61 A V H >< S+ 0 0 6 -4,-2.4 3,-1.7 1,-0.2 7,-0.2 0.902 108.9 55.8 -62.1 -41.2 -2.4 4.7 -3.8 62 62 A K H 3< S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 104.8 54.1 -59.8 -27.6 -0.2 1.7 -3.0 63 63 A H T << S+ 0 0 51 -4,-1.2 329,-2.5 -3,-0.7 -1,-0.3 0.294 96.1 70.4 -92.9 7.7 0.9 1.6 -6.7 64 64 A I <> + 0 0 3 -3,-1.7 4,-1.5 327,-0.2 327,-0.2 -0.769 59.7 170.4-120.0 81.3 1.9 5.2 -6.6 65 65 A P T 4 + 0 0 53 0, 0.0 2,-1.4 0, 0.0 326,-0.2 0.772 62.2 77.5 -69.4 -25.5 5.1 4.9 -4.4 66 66 A G B 4 S-I 390 0C 6 324,-2.3 324,-1.1 1,-0.2 -3,-0.0 -0.713 132.0 -43.4 -83.6 91.3 6.1 8.5 -5.2 67 67 A N T >> S+ 0 0 44 -2,-1.4 3,-0.8 322,-0.2 4,-0.6 0.768 80.7 155.2 60.7 34.4 3.7 10.4 -2.9 68 68 A G G >< S+ 0 0 4 -4,-1.5 3,-1.5 1,-0.2 4,-0.2 0.860 70.3 62.3 -56.9 -34.6 0.5 8.4 -3.6 69 69 A R G >4 S+ 0 0 177 1,-0.3 3,-1.9 -5,-0.2 4,-0.3 0.830 89.6 67.8 -66.5 -30.6 -0.8 9.4 -0.2 70 70 A F G X4 S+ 0 0 19 -3,-0.8 3,-0.5 1,-0.3 4,-0.5 0.809 93.5 62.3 -51.7 -30.0 -0.8 13.1 -1.3 71 71 A L G S+ 0 0 71 -3,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.942 89.5 44.6 -50.8 -50.0 -6.1 11.1 -1.1 73 73 A S H <> S+ 0 0 29 -3,-0.5 4,-0.9 -4,-0.3 3,-0.4 0.924 113.7 49.5 -58.8 -47.7 -7.7 14.6 -1.2 74 74 A A H >> S+ 0 0 0 -4,-0.5 4,-2.9 1,-0.2 3,-1.4 0.947 107.7 53.9 -56.5 -49.3 -7.7 14.8 -5.0 75 75 A F H 3< S+ 0 0 12 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.787 99.5 62.5 -60.6 -26.9 -9.3 11.3 -5.3 76 76 A S H 3< S+ 0 0 106 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.818 114.4 34.7 -64.0 -31.9 -12.1 12.4 -3.1 77 77 A I H << S+ 0 0 94 -3,-1.4 2,-0.4 -4,-0.9 -2,-0.2 0.883 139.5 3.6 -86.9 -48.8 -13.0 15.1 -5.7 78 78 A F S < S+ 0 0 18 -4,-2.9 -1,-0.3 -5,-0.1 2,-0.2 -0.958 77.3 163.9-150.0 117.1 -12.1 13.2 -8.9 79 79 A N > - 0 0 44 -2,-0.4 4,-2.0 -3,-0.2 5,-0.1 -0.503 53.2 -71.9-125.4-172.9 -10.9 9.6 -9.0 80 80 A N H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.900 127.8 49.9 -53.4 -45.4 -10.4 6.6 -11.3 81 81 A E H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.881 109.7 52.5 -64.3 -35.6 -14.1 5.8 -11.7 82 82 A D H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.871 105.9 54.4 -65.2 -38.8 -14.7 9.5 -12.5 83 83 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.931 107.8 50.2 -57.1 -47.7 -12.0 9.3 -15.2 84 84 A I H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.929 112.9 45.0 -59.3 -46.7 -13.8 6.3 -16.8 85 85 A T H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.901 110.5 55.6 -61.9 -44.5 -17.2 8.2 -16.8 86 86 A F H X S+ 0 0 24 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.919 111.5 43.1 -53.4 -50.2 -15.4 11.4 -18.2 87 87 A F H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 3,-0.4 0.901 109.0 56.9 -67.2 -42.1 -14.0 9.5 -21.2 88 88 A E H ><5S+ 0 0 70 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.930 106.9 51.1 -50.2 -48.6 -17.2 7.6 -21.8 89 89 A N H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 103.6 56.8 -62.2 -30.9 -18.9 11.0 -22.2 90 90 A L T 3<5S- 0 0 45 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.250 125.6-103.1 -82.6 10.1 -16.3 12.2 -24.6 91 91 A G T < 5S+ 0 0 70 -3,-1.7 2,-0.5 1,-0.1 -3,-0.2 0.714 88.4 118.0 78.1 22.9 -17.2 9.2 -26.8 92 92 A V < - 0 0 11 -5,-2.4 -2,-0.1 -6,-0.1 -1,-0.1 -0.762 51.0-156.5-123.4 88.2 -14.2 7.0 -26.0 93 93 A K - 0 0 124 -2,-0.5 12,-3.0 -5,-0.2 13,-0.4 -0.327 10.4-147.2 -61.5 137.7 -15.4 3.9 -24.3 94 94 A L E -H 104 0B 9 10,-0.3 2,-0.3 -10,-0.2 -1,-0.1 -0.713 8.3-158.1-104.9 158.8 -12.8 2.1 -22.1 95 95 A K E -H 103 0B 65 8,-2.9 8,-2.3 -2,-0.3 2,-0.4 -0.969 17.0-122.8-133.8 152.1 -12.3 -1.5 -21.4 96 96 A E E +H 102 0B 88 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.826 31.0 171.5-101.1 133.7 -10.6 -3.4 -18.5 97 97 A E > - 0 0 59 4,-3.0 3,-0.7 -2,-0.4 2,-0.1 0.083 49.9 -22.5-110.4-137.9 -7.8 -5.8 -19.2 98 98 A D G > S+ 0 0 81 1,-0.2 3,-2.3 2,-0.1 -1,-0.3 -0.432 123.2 6.7 -76.9 151.2 -5.4 -7.5 -16.7 99 99 A H G 3 S- 0 0 150 1,-0.3 -1,-0.2 -2,-0.1 -44,-0.2 0.813 130.0 -60.3 52.3 34.5 -4.7 -6.2 -13.2 100 100 A G G < S+ 0 0 2 -3,-0.7 -46,-2.8 1,-0.2 -1,-0.3 0.400 89.3 156.8 83.3 -1.0 -7.3 -3.4 -13.5 101 101 A R E < -G 53 0B 64 -3,-2.3 -4,-3.0 -48,-0.2 2,-0.4 -0.395 28.5-152.4 -70.4 123.9 -5.6 -1.8 -16.4 102 102 A M E +GH 52 96B 0 -50,-2.8 -51,-1.0 292,-0.3 -50,-0.7 -0.813 19.2 169.9 -99.9 138.2 -8.1 0.4 -18.5 103 103 A F E - H 0 95B 6 -8,-2.3 -8,-2.9 -2,-0.4 -53,-0.1 -0.929 42.2 -88.9-138.0 154.6 -7.5 1.0 -22.3 104 104 A P E > - H 0 94B 0 0, 0.0 3,-2.0 0, 0.0 -10,-0.3 -0.438 31.4-126.5 -62.8 141.7 -9.7 2.6 -25.0 105 105 A V T 3 S+ 0 0 77 -12,-3.0 -11,-0.1 1,-0.3 -13,-0.0 0.841 112.2 63.0 -52.6 -35.2 -12.0 0.1 -26.8 106 106 A S T 3 S- 0 0 51 -13,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.634 101.7-136.6 -62.8 -17.6 -10.4 1.5 -30.0 107 107 A N < + 0 0 69 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.704 67.3 116.3 59.9 24.5 -7.0 0.2 -28.9 108 108 A K >> - 0 0 136 -60,-0.2 3,-1.2 1,-0.1 4,-0.7 -0.966 57.8-157.6-131.0 118.1 -5.5 3.6 -30.0 109 109 A A H >> S+ 0 0 0 -62,-2.4 4,-1.9 -2,-0.4 3,-0.7 0.800 96.5 66.7 -52.4 -35.9 -3.9 6.2 -27.9 110 110 A Q H 3> S+ 0 0 88 -63,-0.4 4,-3.2 1,-0.2 -1,-0.2 0.828 91.7 62.6 -61.5 -30.4 -4.7 8.8 -30.6 111 111 A S H <> S+ 0 0 34 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.865 105.0 46.0 -57.1 -41.3 -8.4 8.2 -29.7 112 112 A V H S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-0.5 0.891 111.1 48.6 -64.1 -38.3 -11.1 21.8 -25.8 121 121 A K H ><5S+ 0 0 170 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.898 109.1 52.7 -67.7 -42.3 -12.5 22.9 -29.1 122 122 A D H 3<5S+ 0 0 110 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 111.7 46.9 -60.0 -36.9 -16.1 22.6 -27.8 123 123 A L T 3<5S- 0 0 49 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.507 114.5-116.8 -86.1 -5.5 -15.2 24.7 -24.8 124 124 A G T < 5 + 0 0 56 -3,-0.9 2,-0.3 -4,-0.5 -96,-0.2 0.774 50.6 168.2 74.8 27.8 -13.4 27.4 -27.0 125 125 A V < - 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