==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE SUBSTRATE 27-APR-11 3RPZ . COMPND 2 MOLECULE: ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR I.A.SHUMILIN,M.CYMBOROWSKI,A.JOACHIMIAK,W.MINOR,MIDWEST CENT . 277 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.6 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 0 0 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 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 0 130 0, 0.0 167,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.1 14.1 -42.7 -37.4 2 1 A M - 0 0 100 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.484 360.0-125.8 -84.4 -1.0 10.5 -43.6 -36.4 3 2 A N - 0 0 157 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.931 34.7-169.4 49.4 58.0 9.2 -41.6 -39.4 4 3 A V - 0 0 26 1,-0.1 -1,-0.2 197,-0.1 197,-0.1 -0.534 19.9-122.5 -75.9 128.9 7.0 -39.5 -37.3 5 4 A P - 0 0 64 0, 0.0 197,-2.3 0, 0.0 2,-0.3 -0.374 18.2-117.0 -74.5 152.2 4.6 -37.5 -39.6 6 5 A F B -a 202 0A 76 195,-0.2 2,-0.9 -2,-0.1 197,-0.2 -0.627 19.1-123.7 -80.4 142.4 4.4 -33.7 -39.6 7 6 A W - 0 0 8 195,-2.3 2,-0.1 -2,-0.3 194,-0.0 -0.806 48.7-162.4 -81.0 108.0 1.2 -32.0 -38.7 8 7 A T > - 0 0 41 -2,-0.9 4,-2.2 195,-0.1 3,-0.5 -0.341 34.3 -98.1 -99.3 169.5 0.9 -30.1 -41.9 9 8 A E H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 123.4 57.3 -50.1 -39.0 -1.0 -27.1 -43.2 10 9 A E H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 106.8 47.1 -62.4 -40.8 -3.5 -29.5 -44.8 11 10 A H H > S+ 0 0 70 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.882 112.6 50.4 -67.8 -40.4 -4.2 -31.0 -41.4 12 11 A V H >X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 3,-1.1 0.961 111.1 47.8 -60.2 -50.9 -4.6 -27.6 -39.8 13 12 A R H 3< S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.889 112.1 50.5 -60.9 -38.2 -7.0 -26.4 -42.4 14 13 A A H 3< S+ 0 0 87 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.629 119.1 35.2 -71.1 -20.6 -9.1 -29.5 -42.1 15 14 A T H << S+ 0 0 29 -3,-1.1 -2,-0.2 -4,-0.8 217,-0.2 0.557 80.7 112.2-117.9 -11.3 -9.4 -29.3 -38.3 16 15 A L < - 0 0 23 -4,-2.0 2,-0.1 260,-0.2 214,-0.0 -0.414 68.1-118.6 -65.2 140.8 -9.6 -25.6 -37.3 17 16 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.364 15.4-118.5 -81.8 159.2 -13.1 -24.9 -36.0 18 17 A E - 0 0 168 211,-0.1 2,-0.5 -2,-0.1 259,-0.0 -0.420 13.9-136.5 -83.5 152.6 -15.9 -22.6 -37.2 19 18 A R - 0 0 135 -2,-0.1 4,-0.1 4,-0.0 210,-0.0 -0.839 32.0-139.9-107.3 95.5 -17.1 -19.8 -35.1 20 19 A D - 0 0 85 -2,-0.5 3,-0.2 2,-0.2 0, 0.0 -0.172 12.1-131.6 -67.4 146.3 -20.9 -20.0 -35.7 21 20 A A S S+ 0 0 98 1,-0.3 2,-1.1 3,-0.0 -1,-0.1 0.811 107.5 57.8 -54.2 -34.3 -23.1 -17.1 -36.2 22 21 A E S S+ 0 0 178 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.716 89.4 102.2-103.9 65.3 -25.5 -18.6 -33.6 23 22 A S - 0 0 38 -2,-1.1 2,-0.3 -3,-0.2 -4,-0.0 -0.946 47.1-165.9-135.1 160.0 -22.9 -18.8 -30.8 24 23 A H >> - 0 0 129 -2,-0.3 3,-1.5 1,-0.0 4,-0.8 -0.871 46.9 -85.2-135.1 176.8 -22.3 -16.8 -27.7 25 24 A K G >4 S+ 0 0 127 1,-0.3 3,-1.1 -2,-0.3 4,-0.3 0.857 125.4 59.6 -57.5 -36.9 -19.3 -16.7 -25.3 26 25 A G G >4 S+ 0 0 35 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.803 93.4 66.3 -58.6 -30.6 -20.7 -19.6 -23.3 27 26 A T G <4 S+ 0 0 58 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.871 105.8 43.2 -53.6 -39.0 -20.6 -21.7 -26.4 28 27 A Y G << S- 0 0 17 -3,-1.1 29,-0.8 -4,-0.8 -1,-0.2 0.356 111.7-133.1 -95.4 3.8 -16.8 -21.4 -26.3 29 28 A G < - 0 0 7 -3,-1.2 29,-2.3 -4,-0.3 28,-1.8 0.246 14.5 -79.3 77.5 166.6 -16.5 -22.0 -22.5 30 29 A T E -b 58 0A 36 27,-0.2 68,-2.8 66,-0.1 69,-0.6 -0.955 43.2-159.4-107.4 121.1 -14.7 -20.4 -19.6 31 30 A A E -bc 59 99A 0 27,-2.5 29,-2.6 -2,-0.5 2,-0.4 -0.725 6.8-142.2 -96.7 151.0 -11.0 -21.3 -19.2 32 31 A L E -bc 60 100A 0 67,-2.0 69,-2.4 -2,-0.3 2,-0.5 -0.983 11.1-167.2-113.2 130.4 -8.9 -21.1 -16.0 33 32 A L E -bc 61 101A 0 27,-2.5 29,-3.0 -2,-0.4 2,-0.7 -0.975 3.3-168.2-117.9 119.2 -5.3 -20.0 -16.1 34 33 A L E +bc 62 102A 0 67,-3.1 69,-2.0 -2,-0.5 2,-0.3 -0.907 42.9 116.4-108.6 101.5 -3.2 -20.5 -13.0 35 34 A A + 0 0 0 27,-1.1 70,-0.2 -2,-0.7 29,-0.2 -0.990 26.2 61.2-162.8 160.9 -0.0 -18.5 -13.6 36 35 A G - 0 0 0 68,-2.5 28,-0.6 -2,-0.3 2,-0.3 0.492 40.3-163.9 85.5 133.1 2.2 -15.6 -12.6 37 36 A S B > -J 40 0B 15 3,-1.0 3,-0.8 26,-0.1 7,-0.1 -0.872 41.3 -84.0-143.1 174.5 4.0 -14.9 -9.4 38 37 A D T 3 S+ 0 0 86 -2,-0.3 -1,-0.0 1,-0.3 67,-0.0 0.831 127.0 29.5 -57.1 -41.2 5.6 -11.9 -7.8 39 38 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.3 66,-0.1 3,-0.1 0.472 129.7 41.2 -98.0 -2.9 9.0 -12.1 -9.6 40 39 A M B < +J 37 0B 92 -3,-0.8 -3,-1.0 65,-0.3 4,-0.3 -0.470 69.7 137.6-132.7 59.7 7.6 -13.7 -12.8 41 40 A P >> + 0 0 35 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.835 59.3 69.2 -73.8 -33.7 4.4 -11.8 -13.3 42 41 A G H 3> S+ 0 0 38 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.799 83.5 69.7 -62.8 -30.5 4.7 -11.5 -17.0 43 42 A A H 3> S+ 0 0 9 -3,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.800 97.3 54.8 -54.5 -32.5 4.2 -15.1 -17.8 44 43 A A H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.883 109.0 45.4 -68.5 -40.5 0.6 -14.7 -16.7 45 44 A L H X S+ 0 0 32 -4,-0.9 4,-2.5 -3,-0.4 5,-0.2 0.917 114.2 50.4 -64.4 -43.5 0.0 -11.8 -19.2 46 45 A L H X S+ 0 0 28 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.947 115.3 40.6 -61.3 -48.0 1.7 -13.8 -21.9 47 46 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.881 114.1 54.5 -70.4 -35.5 -0.3 -16.9 -21.3 48 47 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.931 109.5 46.3 -63.7 -44.8 -3.5 -14.9 -20.8 49 48 A L H X S+ 0 0 17 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.937 112.0 51.8 -61.8 -44.1 -3.1 -13.1 -24.2 50 49 A G H < S+ 0 0 0 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.910 113.1 45.8 -58.0 -41.2 -2.4 -16.4 -25.9 51 50 A A H ><>S+ 0 0 0 -4,-2.3 3,-1.2 2,-0.2 5,-0.8 0.941 113.3 45.6 -68.4 -51.4 -5.5 -17.9 -24.4 52 51 A M H ><5S+ 0 0 40 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.810 112.0 53.2 -68.8 -28.0 -7.9 -15.1 -25.1 53 52 A R T 3<5S+ 0 0 120 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.640 98.7 71.2 -69.9 -17.2 -6.6 -14.8 -28.7 54 53 A S T < 5S- 0 0 0 -3,-1.2 175,-0.3 -4,-0.5 -1,-0.2 -0.008 116.7 -88.5-104.9 28.8 -7.2 -18.5 -29.2 55 54 A G T < 5S+ 0 0 12 -3,-0.6 -3,-0.1 1,-0.2 -2,-0.1 0.543 74.2 139.2 91.8 9.0 -11.0 -18.8 -29.4 56 55 A L < - 0 0 8 -5,-0.8 -27,-0.2 1,-0.1 -1,-0.2 -0.125 50.2-133.0 -68.1 174.4 -12.2 -19.3 -25.8 57 56 A G S S- 0 0 16 -28,-1.8 2,-0.3 -29,-0.8 -27,-0.2 0.852 80.6 -1.9 -93.1 -55.3 -15.4 -17.6 -24.5 58 57 A K E -b 30 0A 98 -29,-2.3 -27,-2.5 -33,-0.2 -1,-0.4 -0.957 61.6-149.4-133.5 156.6 -14.2 -16.3 -21.1 59 58 A L E -b 31 0A 2 18,-0.4 20,-2.4 -2,-0.3 2,-0.5 -0.994 4.2-167.2-131.0 127.8 -10.9 -16.4 -19.2 60 59 A V E -bd 32 79A 20 -29,-2.6 -27,-2.5 -2,-0.4 2,-0.6 -0.961 12.9-154.8-103.5 126.6 -10.5 -16.4 -15.4 61 60 A I E -bd 33 80A 0 18,-2.8 20,-2.3 -2,-0.5 2,-0.9 -0.936 2.2-160.2-105.9 118.5 -6.8 -15.8 -14.3 62 61 A G E +bd 34 81A 0 -29,-3.0 -27,-1.1 -2,-0.6 2,-0.3 -0.858 39.8 134.4 -97.1 100.4 -6.0 -17.2 -10.9 63 62 A T E - d 0 82A 0 -2,-0.9 20,-2.6 18,-0.8 21,-0.7 -0.903 58.8 -69.9-142.4 171.0 -2.9 -15.2 -9.9 64 63 A S >> - 0 0 3 -28,-0.6 3,-1.7 -2,-0.3 4,-1.6 -0.231 45.6-113.6 -62.6 149.4 -1.4 -13.4 -7.0 65 64 A E T 34 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.2 17,-0.0 0.807 116.8 54.5 -51.8 -37.9 -2.9 -10.0 -6.0 66 65 A N T 34 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.696 107.1 51.0 -73.8 -18.4 0.2 -8.2 -7.0 67 66 A V T X> S+ 0 0 1 -3,-1.7 3,-1.7 1,-0.1 4,-0.8 0.836 92.6 74.1 -86.4 -37.3 0.1 -9.7 -10.6 68 67 A I H >X S+ 0 0 11 -4,-1.6 4,-1.7 1,-0.3 3,-1.5 0.869 93.0 51.9 -44.2 -55.5 -3.6 -8.8 -11.4 69 68 A P H 34 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.720 104.3 58.7 -61.8 -19.9 -3.0 -5.1 -11.9 70 69 A L H <4 S+ 0 0 98 -3,-1.7 4,-0.2 -4,-0.2 -2,-0.2 0.663 109.5 43.2 -81.9 -17.8 -0.2 -5.7 -14.4 71 70 A I H XX S+ 0 0 1 -3,-1.5 4,-2.7 -4,-0.8 3,-1.3 0.869 97.4 73.0 -88.2 -44.8 -2.4 -7.7 -16.7 72 71 A V T 3< S+ 0 0 57 -4,-1.7 -2,-0.1 1,-0.3 6,-0.1 0.803 92.4 50.8 -48.2 -50.5 -5.6 -5.6 -16.7 73 72 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.831 121.0 35.4 -65.2 -25.9 -4.5 -2.7 -18.9 74 73 A V T <4 S+ 0 0 85 -3,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.817 133.4 25.6 -93.6 -34.4 -3.2 -5.0 -21.7 75 74 A L >< + 0 0 6 -4,-2.7 3,-1.3 1,-0.1 -1,-0.2 -0.644 67.1 160.8-129.7 70.0 -5.8 -7.8 -21.4 76 75 A P T 3 + 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.636 64.6 75.2 -69.4 -10.8 -8.9 -6.1 -19.9 77 76 A E T 3 S+ 0 0 123 -3,-0.1 -18,-0.4 -5,-0.0 2,-0.2 0.659 80.0 84.7 -78.3 -17.0 -11.1 -8.9 -21.2 78 77 A A < - 0 0 6 -3,-1.3 2,-0.2 -20,-0.1 -18,-0.2 -0.522 63.1-153.0 -83.3 150.4 -10.0 -11.4 -18.5 79 78 A T E -d 60 0A 81 -20,-2.4 -18,-2.8 -2,-0.2 2,-0.4 -0.645 19.6-117.8-113.2 177.3 -11.4 -11.6 -15.0 80 79 A Y E -d 61 0A 58 -20,-0.3 2,-0.6 -2,-0.2 -18,-0.2 -0.912 19.3-158.8-130.8 146.5 -9.7 -12.9 -11.8 81 80 A W E > -d 62 0A 63 -20,-2.3 3,-2.2 -2,-0.4 -18,-0.8 -0.981 45.9-127.0-113.1 101.7 -9.7 -15.5 -9.1 82 81 A R E 3 S-d 63 0A 112 -2,-0.6 -18,-0.2 1,-0.3 5,-0.1 -0.396 85.1 -8.7 -64.3 126.6 -7.7 -13.5 -6.6 83 82 A D T 3> S+ 0 0 42 -20,-2.6 4,-2.6 -2,-0.2 3,-0.5 0.803 91.8 158.4 53.9 35.2 -4.7 -15.6 -5.3 84 83 A G H <> + 0 0 0 -3,-2.2 4,-2.1 -21,-0.7 -2,-0.1 0.806 60.6 52.7 -62.4 -37.1 -6.3 -18.4 -7.2 85 84 A W H 4 S+ 0 0 18 -4,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.844 113.9 45.3 -70.5 -30.6 -3.2 -20.7 -7.7 86 85 A K H >4 S+ 0 0 110 -3,-0.5 3,-1.2 2,-0.2 4,-0.3 0.893 113.0 50.4 -72.4 -46.7 -2.6 -20.6 -4.0 87 86 A K H >X S+ 0 0 101 -4,-2.6 3,-1.7 1,-0.2 4,-0.7 0.837 99.4 65.6 -59.0 -31.7 -6.3 -21.2 -3.2 88 87 A A T 3< S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.733 88.5 68.4 -65.1 -21.0 -6.3 -24.1 -5.6 89 88 A A T <4 S+ 0 0 15 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.743 100.2 50.8 -66.7 -19.3 -3.9 -25.9 -3.2 90 89 A D T <4 S- 0 0 136 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.710 114.8 -0.2 -96.7 -19.0 -6.7 -26.1 -0.6 91 90 A A S < S- 0 0 49 -4,-0.7 -1,-0.2 -3,-0.3 3,-0.1 -0.996 75.9 -81.1-165.9 155.4 -9.8 -27.6 -2.3 92 91 A Q - 0 0 83 -2,-0.3 2,-0.3 1,-0.1 27,-0.1 -0.251 61.9 -95.6 -51.3 147.0 -11.4 -28.9 -5.4 93 92 A L - 0 0 28 25,-0.4 -1,-0.1 1,-0.1 -5,-0.0 -0.562 29.2-163.2 -70.4 132.1 -12.6 -26.2 -7.7 94 93 A E S S+ 0 0 170 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.685 70.1 79.1 -89.4 -18.1 -16.3 -25.4 -7.2 95 94 A E S S- 0 0 133 1,-0.0 2,-0.5 -3,-0.0 -2,-0.1 -0.578 81.9-124.3 -90.0 151.0 -16.5 -23.6 -10.5 96 95 A T - 0 0 135 -2,-0.2 2,-0.4 26,-0.1 -66,-0.1 -0.858 29.8-173.1 -96.3 127.6 -16.8 -25.5 -13.9 97 96 A Y - 0 0 24 -2,-0.5 -66,-0.2 1,-0.1 3,-0.1 -0.919 29.6-140.8-120.1 148.5 -14.2 -24.7 -16.5 98 97 A R S S- 0 0 96 -68,-2.8 2,-0.3 -2,-0.4 -67,-0.2 0.802 89.7 -11.6 -68.9 -34.1 -13.9 -25.9 -20.1 99 98 A A E -c 31 0A 0 -69,-0.6 -67,-2.0 25,-0.2 2,-0.4 -0.947 65.9-149.4-164.2 154.7 -10.1 -26.3 -19.7 100 99 A I E -ce 32 126A 0 25,-1.9 27,-2.6 -2,-0.3 2,-0.4 -0.996 5.4-167.4-135.5 137.8 -7.5 -25.4 -17.2 101 100 A A E -ce 33 127A 0 -69,-2.4 -67,-3.1 -2,-0.4 2,-0.3 -0.985 9.8-178.1-122.5 142.6 -3.8 -24.5 -17.5 102 101 A I E +ce 34 128A 0 25,-2.4 27,-2.1 -2,-0.4 30,-0.2 -0.994 45.9 41.7-137.1 137.2 -1.3 -24.3 -14.6 103 102 A G > + 0 0 0 -69,-2.0 3,-2.3 -2,-0.3 28,-1.7 -0.037 51.1 129.7 135.3 -38.9 2.3 -23.4 -14.2 104 103 A P T 3 S- 0 0 0 0, 0.0 -68,-2.5 0, 0.0 -1,-0.3 -0.361 94.9 -2.3 -55.4 127.0 3.7 -20.5 -16.3 105 104 A G T 3 S+ 0 0 7 1,-0.2 -65,-0.3 -70,-0.2 -66,-0.1 0.649 102.3 129.7 65.5 17.1 5.7 -18.2 -13.9 106 105 A L < - 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I 0 193A 45 -8,-2.1 -8,-2.9 -2,-0.3 2,-0.4 -0.927 20.4-135.2-136.6 157.5 3.4 -35.9 -34.7 202 201 A L E -aI 6 192A 23 -197,-2.3 -195,-2.3 -2,-0.3 -10,-0.2 -0.935 23.3-127.5-109.0 145.9 6.2 -33.4 -35.4 203 202 A N - 0 0 6 -12,-2.6 -12,-0.3 -2,-0.4 -13,-0.2 -0.797 15.6-165.8 -93.5 126.7 5.6 -29.7 -35.7 204 203 A P + 0 0 57 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.454 58.3 84.1 -91.1 -1.5 7.0 -28.2 -38.9 205 204 A T + 0 0 17 -14,-0.1 -14,-0.3 2,-0.0 -15,-0.2 -0.645 57.2 54.5-106.8 162.4 6.7 -24.5 -38.0 206 205 A G - 0 0 20 39,-0.5 2,-0.3 -2,-0.2 39,-0.1 -0.307 45.5-150.4 105.3 164.9 8.8 -22.0 -36.1 207 206 A N > - 0 0 50 -2,-0.1 3,-2.2 38,-0.1 4,-0.1 -0.884 47.0 -67.5-156.4-176.3 12.3 -20.6 -36.0 208 207 A G G > S+ 0 0 54 1,-0.3 3,-1.6 -2,-0.3 -19,-0.0 0.570 112.6 82.5 -66.6 -7.5 14.9 -19.2 -33.7 209 208 A A G 3 S+ 0 0 1 1,-0.3 -1,-0.3 50,-0.0 51,-0.0 0.816 88.9 57.7 -58.5 -27.5 12.8 -16.1 -33.2 210 209 A L G < S+ 0 0 29 -3,-2.2 2,-2.2 1,-0.2 -1,-0.3 0.567 77.8 97.0 -77.7 -10.5 11.1 -18.3 -30.6 211 210 A A < + 0 0 89 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.2 -0.431 68.1 90.2 -82.2 63.2 14.3 -18.9 -28.7 212 211 A K S > S- 0 0 83 -2,-2.2 3,-1.6 50,-0.0 4,-0.2 -0.980 87.3 -74.0-157.7 148.0 13.6 -16.1 -26.1 213 212 A G T 3 S+ 0 0 72 -2,-0.3 49,-0.5 1,-0.2 -2,-0.0 -0.112 109.2 23.7 -50.4 135.6 11.9 -15.9 -22.8 214 213 A G T 3> S+ 0 0 13 48,-0.1 4,-2.3 47,-0.1 -1,-0.2 0.100 84.2 105.5 103.2 -24.6 8.2 -16.0 -22.7 215 214 A T H <> S+ 0 0 19 -3,-1.6 4,-1.9 1,-0.2 -2,-0.1 0.883 83.6 48.1 -63.9 -33.9 7.4 -17.9 -25.9 216 215 A G H > S+ 0 0 15 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.816 108.0 56.3 -72.6 -26.8 6.5 -21.1 -24.1 217 216 A D H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.926 107.7 48.2 -66.3 -46.9 4.3 -19.2 -21.7 218 217 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.911 108.9 55.0 -54.4 -47.4 2.4 -17.8 -24.7 219 218 A L H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.925 102.2 55.8 -55.8 -45.6 2.1 -21.3 -26.2 220 219 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.930 109.9 47.2 -54.9 -43.7 0.5 -22.7 -22.9 221 220 A G H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.925 108.6 53.3 -62.9 -43.5 -2.2 -20.0 -23.3 222 221 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.931 109.7 48.6 -58.8 -43.6 -2.7 -20.8 -27.0 223 222 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.944 109.8 53.9 -59.8 -43.9 -3.3 -24.5 -26.1 224 223 A L H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.928 112.3 42.1 -58.4 -49.4 -5.7 -23.5 -23.4 225 224 A G H >X S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 4,-0.9 0.929 112.1 53.8 -64.8 -43.5 -7.8 -21.3 -25.7 226 225 A M H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 3,-0.8 0.882 100.8 60.9 -64.2 -30.4 -7.8 -23.9 -28.5 227 226 A L H 3< S+ 0 0 10 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.756 102.6 54.6 -61.7 -26.6 -9.0 -26.6 -26.2 228 227 A C H << S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.735 115.8 33.5 -80.4 -24.2 -12.1 -24.5 -25.7 229 228 A C H << S+ 0 0 16 -4,-0.9 2,-0.5 -3,-0.8 -2,-0.2 0.625 102.3 80.1-111.1 -13.0 -13.0 -24.1 -29.4 230 229 A H < - 0 0 13 -4,-2.1 6,-0.1 -5,-0.2 -214,-0.1 -0.817 64.0-150.6 -93.3 136.3 -11.9 -27.4 -30.9 231 230 A E S S+ 0 0 202 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.887 90.4 54.7 -65.7 -39.1 -14.2 -30.5 -30.4 232 231 A D S >> S- 0 0 64 -217,-0.2 4,-1.6 1,-0.1 3,-0.6 -0.860 73.4-155.5-100.2 114.7 -11.2 -32.8 -30.5 233 232 A P H 3> S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.777 92.9 63.5 -63.3 -24.4 -8.5 -31.8 -27.9 234 233 A K H 3> S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 104.6 46.1 -60.8 -44.8 -5.8 -33.6 -30.0 235 234 A H H <> S+ 0 0 54 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.859 107.5 57.8 -66.0 -37.2 -6.4 -31.1 -32.8 236 235 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.944 110.0 43.2 -57.6 -47.1 -6.4 -28.2 -30.3 237 236 A V H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.955 116.6 46.8 -63.5 -49.0 -2.9 -29.1 -29.1 238 237 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.922 114.3 46.6 -64.1 -41.9 -1.6 -29.8 -32.6 239 238 A N H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.853 110.9 52.5 -69.9 -33.1 -3.1 -26.5 -34.1 240 239 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.940 111.5 45.0 -65.8 -49.0 -1.8 -24.4 -31.2 241 240 A V H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.945 116.9 47.5 -61.5 -41.8 1.8 -25.7 -31.6 242 241 A Y H X S+ 0 0 18 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.950 114.0 43.8 -65.2 -50.8 1.6 -25.2 -35.4 243 242 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.868 108.6 59.1 -67.3 -35.7 0.1 -21.7 -35.3 244 243 A H H X S+ 0 0 15 -4,-2.4 4,-1.2 -5,-0.2 3,-0.2 0.956 111.5 41.7 -54.3 -47.8 2.5 -20.6 -32.6 245 244 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -39,-0.5 0.888 110.2 57.3 -68.1 -39.6 5.4 -21.5 -34.9 246 245 A A H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.835 100.9 58.3 -60.3 -33.7 3.6 -20.0 -37.9 247 246 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.2 -1,-0.2 0.898 105.5 48.9 -63.7 -41.8 3.4 -16.7 -36.1 248 247 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.3 -2,-0.2 0.871 109.1 53.1 -64.4 -35.5 7.2 -16.6 -35.8 249 248 A E H X S+ 0 0 76 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.892 108.0 50.2 -68.8 -37.9 7.6 -17.4 -39.4 250 249 A L H >X S+ 0 0 76 -4,-2.2 3,-1.5 1,-0.2 4,-0.5 0.944 108.9 54.2 -58.4 -49.0 5.3 -14.5 -40.4 251 250 A W H >X S+ 0 0 24 -4,-2.2 4,-1.4 1,-0.3 3,-1.1 0.897 102.5 55.5 -52.2 -46.6 7.4 -12.2 -38.2 252 251 A T H 3< S+ 0 0 48 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.616 86.8 80.0 -72.7 -5.5 10.7 -13.1 -39.8 253 252 A D H << S+ 0 0 120 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.921 120.5 4.0 -63.2 -40.9 9.4 -12.1 -43.2 254 253 A E H << S+ 0 0 177 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.2 0.383 126.8 62.5-127.2 6.2 10.1 -8.4 -42.5 255 254 A H S < S- 0 0 83 -4,-1.4 2,-0.2 -5,-0.2 5,-0.1 -0.956 85.8-100.2-132.8 148.6 11.7 -8.5 -39.0 256 255 A S > - 0 0 61 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.433 24.6-130.9 -68.0 138.6 14.9 -9.9 -37.7 257 256 A A T 3 S+ 0 0 37 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.676 105.5 63.9 -61.4 -17.2 14.6 -13.2 -35.8 258 257 A H T 3 S+ 0 0 163 1,-0.2 -1,-0.3 -48,-0.0 -2,-0.1 0.613 99.6 54.7 -76.0 -11.3 16.7 -11.7 -33.0 259 258 A T S < S+ 0 0 73 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.428 70.6 120.6-115.5 -1.5 14.1 -9.1 -32.2 260 259 A L - 0 0 2 -3,-0.4 2,-0.4 -4,-0.3 3,-0.0 -0.386 44.4-154.3 -66.9 139.8 10.7 -10.9 -31.5 261 260 A L >> - 0 0 87 1,-0.1 3,-2.1 -2,-0.1 4,-0.5 -0.951 23.7-122.1-109.8 139.7 9.0 -10.4 -28.2 262 261 A A H >> S+ 0 0 6 -49,-0.5 3,-1.6 -2,-0.4 4,-0.7 0.800 107.0 60.8 -51.9 -42.5 6.7 -13.3 -27.1 263 262 A H H >> S+ 0 0 74 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.793 93.2 66.8 -60.4 -24.5 3.6 -11.1 -26.7 264 263 A E H <> S+ 0 0 44 -3,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.783 87.2 68.2 -67.5 -23.1 3.8 -10.2 -30.4 265 264 A L H X S+ 0 0 22 -4,-1.7 4,-2.0 -3,-0.2 3,-0.8 0.762 94.1 79.8 -82.1 -30.5 0.2 -11.8 -35.1 269 268 A L H 3X S+ 0 0 1 -4,-1.8 4,-3.1 1,-0.2 5,-0.4 0.830 81.3 63.5 -53.9 -40.1 -2.1 -14.8 -34.6 270 269 A P H 3> S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.928 111.8 35.9 -53.1 -44.2 -5.3 -13.1 -35.8 271 270 A R H <> S+ 0 0 223 -3,-0.8 4,-1.2 -4,-0.3 -2,-0.2 0.855 118.0 51.8 -77.3 -38.0 -3.9 -12.6 -39.3 272 271 A V H >X S+ 0 0 11 -4,-2.0 3,-0.7 1,-0.2 4,-0.6 0.951 108.9 49.7 -64.5 -45.9 -2.0 -15.9 -39.4 273 272 A W H >< S+ 0 0 26 -4,-3.1 3,-1.6 1,-0.2 4,-0.2 0.915 104.7 59.2 -62.2 -39.7 -5.1 -17.9 -38.3 274 273 A K H >< S+ 0 0 144 -4,-1.4 3,-1.7 -5,-0.4 -1,-0.2 0.863 96.6 62.9 -55.4 -35.7 -7.2 -16.2 -41.0 275 274 A R H << S+ 0 0 141 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.718 102.3 50.0 -60.5 -26.6 -4.8 -17.6 -43.6 276 275 A F T << 0 0 2 -3,-1.6 -1,-0.3 -4,-0.6 -260,-0.2 0.303 360.0 360.0-100.1 8.2 -5.7 -21.1 -42.7 277 276 A E < 0 0 155 -3,-1.7 -264,-0.1 -4,-0.2 -259,-0.0 -0.479 360.0 360.0 -98.1 360.0 -9.5 -20.5 -42.9