==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JAN-12 4DGS . COMPND 2 MOLECULE: DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR Z.ZHANG,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR,J . 277 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 28 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 4 1 0 1 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 L 0 0 14 0, 0.0 21,-2.8 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 166.5 -31.4 6.5 -6.3 2 11 A L E -ab 22 43A 1 40,-3.5 42,-2.8 19,-0.2 2,-1.0 -0.829 360.0-165.7 -94.4 110.6 -31.1 4.1 -9.2 3 12 A L E -ab 23 44A 0 19,-2.4 21,-1.5 -2,-0.8 22,-0.6 -0.809 8.2-180.0 -91.7 94.6 -27.5 3.4 -10.0 4 13 A V + 0 0 17 40,-2.5 41,-0.2 -2,-1.0 -1,-0.2 0.862 65.0 24.0 -65.5 -34.8 -27.8 1.8 -13.4 5 14 A E S S- 0 0 63 39,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.898 84.2-102.3-130.1 155.4 -24.0 1.3 -13.9 6 15 A P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.585 40.0-179.8 -67.8 137.7 -20.9 1.1 -11.8 7 16 A X - 0 0 23 -2,-0.3 5,-0.1 1,-0.2 39,-0.0 -0.666 46.7 -44.0-119.2-171.5 -18.8 4.3 -11.7 8 17 A X >> - 0 0 41 -2,-0.2 4,-2.9 1,-0.1 3,-2.2 -0.206 55.5-115.0 -60.2 143.4 -15.5 4.9 -9.9 9 18 A P H 3> S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.777 118.0 46.1 -45.9 -35.0 -15.3 3.6 -6.3 10 19 A F H 3> S+ 0 0 134 2,-0.3 4,-0.7 1,-0.2 -2,-0.1 0.605 108.8 51.9 -95.7 -11.9 -15.0 7.2 -5.1 11 20 A V H <4 S+ 0 0 2 -3,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.786 111.0 52.9 -77.9 -34.7 -17.8 8.5 -7.2 12 21 A X H >X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 3,-0.9 0.890 106.4 50.5 -57.4 -46.7 -19.7 5.5 -5.6 13 22 A D H 3< S+ 0 0 80 -4,-1.5 4,-0.4 1,-0.3 -1,-0.2 0.826 105.0 56.7 -68.8 -31.1 -18.7 6.7 -2.1 14 23 A E T 3X S+ 0 0 77 -4,-0.7 4,-1.0 1,-0.2 -1,-0.3 0.672 112.3 44.6 -69.8 -17.6 -19.9 10.2 -2.8 15 24 A L H <> S+ 0 0 0 -3,-0.9 4,-3.3 -4,-0.5 -2,-0.2 0.884 106.1 54.7 -92.4 -49.6 -23.3 8.6 -3.6 16 25 A Q H < S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.1 0.532 110.2 53.4 -67.0 -3.3 -23.6 6.1 -0.7 17 26 A R H 4 S+ 0 0 158 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.890 121.1 24.3 -91.6 -58.9 -23.1 9.2 1.5 18 27 A N H < S+ 0 0 92 -4,-1.0 2,-0.3 -5,-0.1 -2,-0.2 0.720 127.4 42.6 -75.5 -23.4 -25.8 11.5 0.2 19 28 A Y S < S- 0 0 32 -4,-3.3 2,-0.8 -5,-0.1 -1,-0.1 -0.921 73.0-124.1-135.4 147.0 -28.0 8.8 -1.2 20 29 A S - 0 0 92 -2,-0.3 2,-0.6 2,-0.0 -4,-0.1 -0.841 46.5-153.0 -83.0 111.8 -29.5 5.4 -0.6 21 30 A V - 0 0 21 -2,-0.8 2,-0.6 -19,-0.1 -19,-0.2 -0.806 20.1-170.1-106.2 123.3 -28.2 3.7 -3.7 22 31 A H E -a 2 0A 29 -21,-2.8 -19,-2.4 -2,-0.6 2,-0.6 -0.929 16.0-148.4-106.8 113.5 -29.8 0.8 -5.4 23 32 A R E > -a 3 0A 67 -2,-0.6 3,-1.3 -21,-0.2 6,-0.3 -0.743 5.2-154.5 -87.5 119.0 -27.6 -0.7 -8.1 24 33 A L T 3 S+ 0 0 43 -21,-1.5 -1,-0.2 -2,-0.6 -20,-0.2 0.805 94.7 54.0 -56.1 -29.2 -29.6 -2.2 -11.0 25 34 A Y T 3 S+ 0 0 77 -22,-0.6 2,-0.5 -21,-0.1 -1,-0.3 0.545 90.8 82.7 -89.1 -11.5 -26.7 -4.5 -11.7 26 35 A Q X - 0 0 82 -3,-1.3 3,-1.1 1,-0.1 -3,-0.1 -0.855 59.9-158.5-101.2 128.1 -26.3 -6.1 -8.3 27 36 A A G > S+ 0 0 80 -2,-0.5 3,-2.0 1,-0.2 -1,-0.1 0.829 87.3 74.1 -67.8 -31.8 -28.5 -9.0 -7.3 28 37 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.503 104.4 37.0 -65.2 -6.2 -27.9 -8.3 -3.6 29 38 A D G <> S+ 0 0 20 -3,-1.1 4,-0.5 -6,-0.3 -1,-0.3 -0.003 79.8 108.6-133.6 31.1 -30.2 -5.2 -3.8 30 39 A R H <> S+ 0 0 91 -3,-2.0 4,-2.5 2,-0.2 5,-0.1 0.898 83.0 47.2 -70.0 -42.7 -32.9 -6.4 -6.2 31 40 A P H > S+ 0 0 77 0, 0.0 4,-2.8 0, 0.0 3,-0.2 0.995 114.2 42.9 -61.2 -65.1 -35.5 -6.6 -3.4 32 41 A A H > S+ 0 0 53 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.694 113.6 56.8 -56.3 -19.5 -34.8 -3.2 -1.7 33 42 A L H X S+ 0 0 2 -4,-0.5 4,-1.0 2,-0.2 -1,-0.3 0.939 107.0 46.7 -74.3 -51.0 -34.7 -1.9 -5.3 34 43 A E H >< S+ 0 0 110 -4,-2.5 3,-1.2 -3,-0.2 -2,-0.2 0.957 113.2 49.8 -53.2 -55.4 -38.2 -3.2 -6.0 35 44 A A H 3< S+ 0 0 77 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.959 109.4 51.7 -43.8 -61.9 -39.4 -1.8 -2.8 36 45 A A H >< S+ 0 0 19 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.586 77.8 103.9 -57.6 -17.4 -37.9 1.6 -3.4 37 46 A L G X< S+ 0 0 37 -3,-1.2 3,-0.8 -4,-1.0 24,-0.5 0.792 83.3 42.4 -39.6 -49.9 -39.4 2.1 -6.9 38 47 A P G 3 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.807 116.9 49.3 -74.5 -24.7 -42.1 4.6 -5.9 39 48 A S G < S+ 0 0 106 -3,-1.5 2,-0.4 -4,-0.3 -2,-0.2 -0.380 85.8 108.3-108.8 54.3 -39.7 6.5 -3.7 40 49 A I < + 0 0 3 -3,-0.8 21,-0.3 -2,-0.2 22,-0.3 -0.995 30.4 163.9-130.1 121.8 -36.9 6.8 -6.2 41 50 A R + 0 0 105 -2,-0.4 22,-2.7 21,-0.2 23,-1.7 0.451 58.0 56.2-117.0 -5.8 -36.3 10.3 -7.7 42 51 A A E - c 0 64A 0 20,-0.2 -40,-3.5 21,-0.2 2,-0.4 -0.993 50.5-170.6-143.1 133.4 -32.9 9.9 -9.2 43 52 A V E -bc 2 65A 0 21,-2.1 23,-3.0 -2,-0.4 2,-0.5 -0.988 6.5-164.2-119.6 130.0 -31.1 7.7 -11.7 44 53 A A E +bc 3 66A 0 -42,-2.8 -40,-2.5 -2,-0.4 -39,-0.6 -0.970 30.7 144.5-108.5 133.7 -27.3 7.8 -12.3 45 54 A T E - c 0 67A 0 21,-2.3 23,-3.3 -2,-0.5 2,-0.3 -0.845 41.0-110.9-152.2-180.0 -26.3 6.1 -15.5 46 55 A G E >> - c 0 68A 5 -2,-0.2 4,-2.8 21,-0.2 3,-0.6 -0.858 35.9-103.1-122.8 166.2 -23.8 6.3 -18.4 47 56 A G T 34 S+ 0 0 24 21,-0.8 27,-0.3 -2,-0.3 22,-0.1 0.787 118.5 54.4 -56.0 -30.1 -24.3 7.0 -22.1 48 57 A G T 34 S+ 0 0 55 1,-0.1 -1,-0.3 2,-0.1 21,-0.0 0.883 117.9 31.2 -76.2 -37.6 -24.1 3.4 -23.0 49 58 A A T <4 S+ 0 0 36 -3,-0.6 -2,-0.2 1,-0.1 3,-0.1 0.908 81.0 164.7 -87.7 -43.9 -26.8 2.2 -20.7 50 59 A G < - 0 0 2 -4,-2.8 2,-0.3 1,-0.1 25,-0.3 -0.296 51.6 -73.7 58.9-146.7 -29.1 5.2 -20.6 51 60 A L B -f 75 0B 5 23,-1.7 25,-0.5 -6,-0.1 -1,-0.1 -0.869 43.4-135.7-149.6 110.3 -32.6 4.5 -19.2 52 61 A S > - 0 0 55 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.140 24.6-113.8 -61.5 160.3 -35.2 2.6 -21.2 53 62 A N H > S+ 0 0 52 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.887 115.6 62.0 -62.0 -38.6 -38.7 3.8 -21.4 54 63 A E H > S+ 0 0 137 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.914 107.8 41.4 -51.8 -49.5 -39.8 0.6 -19.5 55 64 A W H >> S+ 0 0 40 2,-0.2 4,-0.8 1,-0.2 3,-0.6 0.895 111.0 56.8 -70.0 -37.5 -37.7 1.6 -16.5 56 65 A X H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.941 105.0 51.4 -57.4 -50.0 -38.8 5.2 -16.8 57 66 A E H 3< S+ 0 0 126 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.720 105.3 58.4 -57.3 -25.3 -42.4 4.1 -16.6 58 67 A K H << S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.676 96.7 67.6 -76.4 -21.0 -41.5 2.1 -13.4 59 68 A L << + 0 0 0 -3,-1.6 3,-0.2 -4,-0.8 -1,-0.2 -0.752 54.7 168.5-109.9 85.3 -40.2 5.3 -11.7 60 69 A P S S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -19,-0.1 0.771 81.6 43.7 -63.7 -33.2 -43.2 7.6 -11.0 61 70 A S S S+ 0 0 49 -24,-0.5 -20,-0.1 -21,-0.3 -2,-0.1 0.686 81.3 127.5 -87.9 -20.3 -41.2 9.9 -8.7 62 71 A L + 0 0 7 -22,-0.3 -20,-0.2 -3,-0.2 -21,-0.2 -0.097 21.5 162.8 -43.2 122.6 -38.1 10.1 -10.9 63 72 A G + 0 0 11 -22,-2.7 23,-4.0 1,-0.3 2,-0.4 0.551 59.4 40.7-117.3 -19.0 -37.2 13.8 -11.5 64 73 A I E -cd 42 86A 0 -23,-1.7 -21,-2.1 21,-0.2 2,-0.6 -0.992 47.5-170.5-139.6 134.6 -33.6 13.5 -12.7 65 74 A I E -cd 43 87A 0 21,-2.8 23,-2.1 -2,-0.4 2,-0.7 -0.945 20.1-162.5-114.7 105.7 -31.6 11.2 -15.0 66 75 A A E -cd 44 88A 0 -23,-3.0 -21,-2.3 -2,-0.6 2,-0.7 -0.800 4.8-153.9 -95.2 114.2 -27.9 12.2 -14.5 67 76 A I E -c 45 0A 1 21,-1.6 2,-1.8 -2,-0.7 -21,-0.2 -0.793 11.4-148.0 -92.1 117.0 -25.8 10.9 -17.3 68 77 A N E S+c 46 0A 30 -23,-3.3 -21,-0.8 -2,-0.7 2,-0.3 -0.668 84.3 22.3 -75.1 85.6 -22.1 10.2 -16.6 69 78 A G S S- 0 0 10 -2,-1.8 21,-1.3 -23,-0.2 -2,-0.1 -0.904 91.7 -95.9 143.2-172.4 -21.2 11.2 -20.1 70 79 A V S S+ 0 0 80 -2,-0.3 2,-0.2 19,-0.2 -1,-0.1 0.355 77.9 116.5-124.0 -3.6 -22.6 13.1 -23.0 71 80 A G + 0 0 33 1,-0.1 -21,-0.1 -3,-0.1 3,-0.0 -0.509 30.8 171.7 -71.2 133.7 -24.3 10.3 -24.9 72 81 A T > + 0 0 44 -2,-0.2 3,-1.7 1,-0.1 5,-0.2 0.436 51.2 97.2-124.2 -2.8 -28.1 10.5 -25.3 73 82 A D T 3 S+ 0 0 154 1,-0.3 -1,-0.1 3,-0.1 -25,-0.1 0.683 82.0 59.4 -59.2 -17.9 -29.0 7.7 -27.7 74 83 A K T 3 S+ 0 0 113 -27,-0.3 -23,-1.7 -3,-0.0 2,-0.3 0.258 104.4 53.0-100.9 11.8 -29.8 5.4 -24.7 75 84 A V B < S-f 51 0B 13 -3,-1.7 2,-1.0 -25,-0.3 -23,-0.1 -0.994 81.7-121.2-146.8 142.2 -32.5 7.7 -23.3 76 85 A D > - 0 0 61 -25,-0.5 4,-1.7 -2,-0.3 5,-0.2 -0.721 28.1-169.6 -85.3 101.3 -35.7 9.3 -24.7 77 86 A L H > S+ 0 0 59 -2,-1.0 4,-1.9 1,-0.2 3,-0.2 0.950 81.3 41.9 -61.5 -55.4 -35.0 13.0 -24.1 78 87 A A H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.852 110.2 59.4 -61.9 -36.1 -38.4 14.5 -25.0 79 88 A R H > S+ 0 0 66 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.901 107.0 45.5 -61.9 -43.4 -40.2 11.6 -23.1 80 89 A A H <>S+ 0 0 0 -4,-1.7 5,-3.4 -3,-0.2 3,-0.5 0.925 110.7 55.2 -60.8 -45.7 -38.5 12.5 -19.9 81 90 A R H ><5S+ 0 0 85 -4,-1.9 3,-2.1 3,-0.3 -2,-0.2 0.930 105.6 51.0 -54.8 -46.1 -39.3 16.2 -20.6 82 91 A R H 3<5S+ 0 0 181 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.770 111.4 47.9 -65.2 -25.4 -43.0 15.3 -20.9 83 92 A R T 3<5S- 0 0 93 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.288 121.2-117.6 -91.1 8.1 -42.8 13.5 -17.6 84 93 A N T < 5 + 0 0 120 -3,-2.1 2,-0.4 1,-0.2 -3,-0.3 0.803 63.0 151.8 60.6 32.6 -41.0 16.7 -16.4 85 94 A I < - 0 0 2 -5,-3.4 2,-0.6 -6,-0.1 -21,-0.2 -0.788 44.2-129.5 -96.3 135.1 -37.8 14.8 -15.7 86 95 A D E -d 64 0A 12 -23,-4.0 -21,-2.8 -2,-0.4 2,-0.6 -0.747 18.9-163.9 -86.3 119.7 -34.4 16.6 -16.0 87 96 A V E -d 65 0A 4 -2,-0.6 193,-2.7 193,-0.3 -21,-0.2 -0.904 15.3-175.0-107.6 113.6 -31.8 14.8 -18.1 88 97 A T E -dE 66 279A 1 -23,-2.1 -21,-1.6 -2,-0.6 191,-0.2 -0.572 10.4-169.9-108.3 166.0 -28.3 16.0 -17.5 89 98 A T - 0 0 11 189,-1.3 -19,-0.2 -2,-0.2 177,-0.1 -0.661 30.0-112.8-135.6-167.5 -24.9 15.4 -19.0 90 99 A T - 0 0 2 -21,-1.3 3,-0.5 -2,-0.2 -20,-0.1 -0.637 43.3-175.2-137.9 74.9 -21.2 16.2 -18.3 91 100 A P + 0 0 56 0, 0.0 171,-0.0 0, 0.0 -21,-0.0 -0.185 54.9 15.8 -71.0 156.2 -20.0 18.6 -21.1 92 101 A G S S+ 0 0 57 1,-0.1 4,-0.1 2,-0.0 0, 0.0 0.640 94.0 101.9 63.6 23.9 -16.6 20.0 -21.9 93 102 A V S S+ 0 0 37 -3,-0.5 4,-0.2 2,-0.1 -1,-0.1 0.624 75.7 38.4-114.3 -20.1 -14.6 17.6 -19.7 94 103 A L S > S+ 0 0 40 2,-0.1 4,-2.1 1,-0.1 5,-0.2 0.544 82.1 92.2-117.6 -10.6 -13.0 14.9 -21.9 95 104 A A H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.872 85.3 54.1 -59.2 -44.9 -11.8 16.6 -25.1 96 105 A D H >> S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.966 111.1 44.7 -56.4 -53.9 -8.3 17.3 -23.9 97 106 A D H 3> S+ 0 0 34 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.863 110.6 53.6 -61.7 -39.6 -7.6 13.7 -22.8 98 107 A V H 3X S+ 0 0 8 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.847 110.4 49.4 -59.4 -31.2 -9.0 12.3 -26.0 99 108 A A H S+ 0 0 10 -4,-2.1 5,-2.6 -5,-0.3 6,-0.6 0.886 112.8 33.7 -59.5 -44.0 3.3 5.7 -31.4 109 118 A V H ><5S+ 0 0 14 -4,-1.9 3,-1.4 -3,-0.3 -2,-0.2 0.950 119.5 51.3 -75.3 -55.3 3.0 5.0 -35.1 110 119 A L H 3<5S+ 0 0 17 -4,-3.1 20,-2.5 1,-0.2 -2,-0.2 0.888 122.5 32.0 -40.5 -48.7 5.5 7.7 -36.2 111 120 A R T 3<5S- 0 0 170 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.213 106.5-119.3-108.9 15.4 8.1 6.3 -33.9 112 121 A R T <>5 + 0 0 66 -3,-1.4 4,-1.5 -4,-0.1 -3,-0.2 0.900 51.4 160.5 48.9 54.9 7.2 2.6 -33.9 113 122 A V H >> S+ 0 0 14 -6,-0.6 4,-2.2 2,-0.2 3,-0.7 0.979 118.8 40.8 -71.3 -67.8 4.5 -0.8 -30.5 115 124 A D H 3> S+ 0 0 65 1,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.813 119.5 50.0 -50.6 -33.1 6.7 -2.7 -32.9 116 125 A G H 3X S+ 0 0 32 -4,-1.5 4,-0.7 2,-0.2 -1,-0.3 0.846 108.5 50.1 -75.9 -36.0 9.7 -1.3 -30.9 117 126 A D H S+ 0 0 43 -4,-1.4 5,-2.0 -5,-0.3 6,-1.9 0.750 111.3 40.3 -55.8 -27.5 10.9 -6.5 -30.2 120 129 A V H ><5S+ 0 0 78 -4,-0.7 3,-1.3 -3,-0.3 -1,-0.3 0.866 120.1 44.6 -83.0 -40.1 12.7 -5.7 -26.9 121 130 A R H 3<5S+ 0 0 204 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.875 111.5 52.1 -72.9 -38.5 10.1 -7.7 -24.9 122 131 A E T 3<5S- 0 0 106 -4,-5.8 -1,-0.3 -5,-0.1 -3,-0.1 0.026 114.8-121.6 -79.9 24.2 10.2 -10.5 -27.4 123 132 A G T < 5S+ 0 0 66 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.730 77.4 127.7 38.1 32.7 14.0 -10.5 -26.9 124 133 A R < 0 0 146 -5,-2.0 -4,-0.2 -6,-0.3 -1,-0.2 0.653 360.0 360.0 -89.8 -18.8 14.3 -9.8 -30.6 125 134 A W 0 0 241 -6,-1.9 -9,-0.0 -9,-0.1 -5,-0.0 -0.300 360.0 360.0 -58.7 360.0 16.5 -6.7 -30.3 126 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 127 141 A P 0 0 140 0, 0.0 -11,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.5 13.6 0.1 -38.6 128 142 A L - 0 0 159 1,-0.1 -16,-0.1 0, 0.0 2,-0.1 -0.176 360.0-149.4 -51.9 137.9 14.0 3.9 -38.8 129 143 A G - 0 0 35 -18,-0.1 2,-0.4 -17,-0.0 -18,-0.2 -0.090 14.9-103.3 -94.4-164.3 11.0 5.9 -37.7 130 144 A H - 0 0 83 -20,-2.5 -18,-0.0 -23,-0.1 -1,-0.0 -0.987 18.6-132.9-130.4 139.6 9.7 9.3 -38.8 131 145 A S - 0 0 57 -2,-0.4 25,-0.0 1,-0.1 -24,-0.0 -0.609 8.7-144.3 -82.6 147.9 9.8 12.8 -37.1 132 146 A P > + 0 0 19 0, 0.0 3,-2.2 0, 0.0 2,-0.1 0.657 63.5 118.5 -81.8 -18.2 6.6 14.9 -36.9 133 147 A K T 3 S+ 0 0 154 1,-0.3 25,-0.2 25,-0.1 24,-0.2 -0.300 85.0 2.7 -63.9 124.7 8.5 18.1 -37.4 134 148 A G T 3 S+ 0 0 58 23,-4.0 2,-0.4 1,-0.3 -1,-0.3 0.542 100.9 129.9 78.6 8.8 7.6 20.0 -40.5 135 149 A K < - 0 0 65 -3,-2.2 24,-1.3 22,-0.1 2,-0.5 -0.779 63.3-112.2 -98.3 144.2 4.9 17.5 -41.4 136 150 A R E -g 159 0C 78 -2,-0.4 51,-3.0 22,-0.2 52,-2.3 -0.579 24.6-161.2 -72.0 114.5 1.3 18.4 -42.2 137 151 A I E -gh 160 188C 1 22,-1.9 24,-2.0 -2,-0.5 2,-0.5 -0.888 6.6-160.3 -95.7 111.7 -1.2 17.4 -39.7 138 152 A G E -gh 161 189C 0 50,-2.3 52,-3.7 -2,-0.8 2,-0.6 -0.797 6.1-153.9 -88.5 125.3 -4.7 17.4 -41.2 139 153 A V E -gh 162 190C 0 22,-2.0 24,-2.8 -2,-0.5 2,-0.8 -0.912 4.1-153.1-107.2 120.4 -7.4 17.5 -38.6 140 154 A L E S+gh 163 191C 25 50,-4.1 52,-3.4 -2,-0.6 53,-1.1 -0.814 81.1 12.8 -92.0 104.1 -10.9 16.0 -39.5 141 155 A G - 0 0 0 22,-2.9 2,-1.3 -2,-0.8 23,-0.2 0.810 69.7-148.7 89.3 91.1 -13.4 17.9 -37.4 142 156 A L + 0 0 9 21,-0.5 -1,-0.1 22,-0.3 22,-0.1 -0.339 53.9 125.0 -85.7 56.4 -11.9 21.0 -35.7 143 157 A G S > S- 0 0 17 -2,-1.3 4,-2.9 49,-0.1 5,-0.2 0.118 84.4 -59.7 -87.1-152.4 -14.1 20.9 -32.6 144 158 A Q H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.988 142.2 40.0 -54.1 -63.9 -13.0 20.8 -29.0 145 159 A I H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 115.7 55.2 -53.3 -43.2 -11.0 17.6 -29.4 146 160 A G H > S+ 0 0 1 46,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.902 110.0 43.2 -58.1 -45.7 -9.8 18.9 -32.8 147 161 A R H X S+ 0 0 115 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.948 112.9 51.6 -68.8 -49.1 -8.5 22.2 -31.4 148 162 A A H X S+ 0 0 9 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.892 112.3 47.6 -48.4 -45.4 -6.8 20.6 -28.4 149 163 A L H X S+ 0 0 3 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.871 109.3 52.6 -72.2 -38.6 -5.1 18.1 -30.7 150 164 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.939 109.5 47.1 -62.3 -49.3 -3.9 20.7 -33.2 151 165 A S H >X S+ 0 0 52 -4,-2.4 4,-1.2 1,-0.2 3,-1.0 0.949 111.7 51.3 -61.2 -43.4 -2.2 22.9 -30.6 152 166 A R H 3< S+ 0 0 78 -4,-1.9 4,-0.3 -5,-0.3 3,-0.3 0.877 109.5 51.8 -58.6 -35.2 -0.5 19.9 -29.1 153 167 A A H ><>S+ 0 0 0 -4,-1.8 5,-1.3 1,-0.2 3,-0.5 0.677 99.2 64.2 -74.9 -21.1 0.7 19.0 -32.6 154 168 A E H X<5S+ 0 0 81 -4,-1.2 3,-1.9 -3,-1.0 -1,-0.2 0.857 92.4 63.0 -70.0 -35.4 2.1 22.5 -33.1 155 169 A A T 3<5S+ 0 0 88 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.695 97.3 58.0 -60.9 -21.9 4.6 21.9 -30.3 156 170 A F T < 5S- 0 0 88 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.369 126.3 -98.7 -92.7 5.7 6.2 19.1 -32.4 157 171 A G T < 5S+ 0 0 35 -3,-1.9 -23,-4.0 1,-0.3 2,-0.3 0.740 75.7 148.5 84.9 26.3 6.9 21.4 -35.3 158 172 A X < - 0 0 9 -5,-1.3 2,-0.5 -25,-0.2 -1,-0.3 -0.676 45.7-131.2 -93.1 145.6 3.8 20.4 -37.2 159 173 A S E -g 136 0C 49 -24,-1.3 -22,-1.9 -2,-0.3 2,-0.3 -0.862 26.6-132.4 -98.6 124.8 1.8 22.7 -39.5 160 174 A V E +g 137 0C 8 -2,-0.5 14,-1.6 -24,-0.2 2,-0.3 -0.571 31.4 164.6 -84.5 135.4 -1.9 22.6 -38.9 161 175 A R E -gi 138 174C 24 -24,-2.0 -22,-2.0 -2,-0.3 2,-0.3 -0.943 16.8-175.3-134.1 153.5 -4.5 22.2 -41.6 162 176 A Y E -gi 139 175C 3 12,-2.0 14,-2.2 -2,-0.3 2,-0.4 -0.986 32.0-122.8-151.9 159.9 -8.1 21.3 -40.9 163 177 A W E -g 140 0C 66 -24,-2.8 -22,-2.9 -2,-0.3 -21,-0.5 -1.000 42.8-171.0-121.9 135.1 -11.6 20.4 -42.1 164 178 A N - 0 0 19 -2,-0.4 2,-1.0 12,-0.3 -22,-0.3 0.711 42.4-158.6-130.1 -72.5 -13.6 22.6 -40.7 165 179 A R S S+ 0 0 147 -24,-0.1 2,-0.3 -22,-0.0 -22,-0.0 -0.350 100.4 3.8 81.5 -43.7 -17.3 23.0 -40.5 166 180 A S S S- 0 0 85 -2,-1.0 2,-0.3 -24,-0.1 -24,-0.1 -0.953 89.0 -97.4-155.5 167.3 -16.3 26.6 -39.9 167 181 A T - 0 0 103 -2,-0.3 2,-0.5 8,-0.1 7,-0.0 -0.631 32.8-131.3 -92.0 141.6 -13.1 28.6 -39.9 168 182 A L > - 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