==== 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 LYASE 17-AUG-07 2Z7B . COMPND 2 MOLECULE: MLR6791 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR K.M.MCCULLOCH,T.MUKHERJEE,S.E.EALICK,T.P.BEGLEY . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 10.5 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 . 2 0.8 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 . 1 0.4 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 . 10 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -2 A S > 0 0 81 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -69.4 9.9 36.7 46.7 2 -1 A F H > + 0 0 153 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.775 360.0 55.6 -76.7 -26.0 11.4 33.4 47.8 3 0 A T H > S+ 0 0 104 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.941 110.7 42.8 -69.0 -48.7 7.9 32.1 48.5 4 1 A X H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.876 111.8 55.0 -64.8 -38.9 6.7 32.9 45.0 5 2 A R H X S+ 0 0 86 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.884 104.2 54.2 -62.3 -39.3 9.9 31.5 43.5 6 3 A R H X S+ 0 0 113 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.842 103.8 56.8 -63.7 -33.4 9.3 28.2 45.4 7 4 A K H X S+ 0 0 130 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.886 106.7 48.1 -65.6 -39.5 5.9 28.0 43.8 8 5 A V H X S+ 0 0 26 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.878 112.2 50.1 -68.1 -37.7 7.4 28.2 40.3 9 6 A F H X S+ 0 0 29 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.928 108.9 51.5 -65.7 -44.4 9.9 25.5 41.2 10 7 A E H X S+ 0 0 77 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.899 107.9 52.3 -60.3 -40.8 7.1 23.3 42.5 11 8 A E H X S+ 0 0 55 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.879 107.8 51.2 -64.5 -37.8 5.1 23.7 39.3 12 9 A L H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.901 111.6 47.5 -65.6 -40.1 8.2 22.6 37.2 13 10 A V H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 113.7 47.7 -66.1 -44.6 8.6 19.6 39.4 14 11 A T H X S+ 0 0 38 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.940 110.4 51.3 -61.0 -47.6 4.9 18.8 39.1 15 12 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.905 109.7 51.1 -56.9 -42.0 4.9 19.3 35.3 16 13 A T H X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.937 111.3 47.2 -60.9 -47.0 7.9 16.9 35.1 17 14 A K H X S+ 0 0 60 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.901 113.0 49.3 -60.6 -44.2 6.1 14.2 37.2 18 15 A I H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 6,-0.2 0.941 110.8 48.7 -60.7 -49.6 2.9 14.6 35.1 19 16 A L H <>S+ 0 0 1 -4,-2.8 5,-2.6 1,-0.2 6,-1.9 0.846 114.4 46.7 -61.4 -34.8 4.8 14.3 31.8 20 17 A L H ><5S+ 0 0 52 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.2 0.929 113.9 46.7 -72.2 -45.7 6.6 11.2 33.0 21 18 A N H 3<5S+ 0 0 53 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.808 112.6 50.3 -67.0 -30.6 3.4 9.6 34.4 22 19 A E T 3<5S- 0 0 32 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.367 115.5-114.9 -89.6 4.6 1.5 10.4 31.2 23 20 A G T < 5S+ 0 0 39 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.726 85.9 112.6 72.5 22.5 4.2 8.9 29.0 24 21 A I < + 0 0 2 -5,-2.6 73,-0.3 -6,-0.2 2,-0.3 0.883 69.5 51.8 -89.6 -46.5 5.2 12.1 27.3 25 22 A X - 0 0 12 -6,-1.9 2,-0.2 -9,-0.2 -2,-0.1 -0.662 66.2-165.2 -96.8 149.9 8.6 12.5 28.8 26 23 A D - 0 0 82 2,-0.5 72,-0.1 -2,-0.3 -2,-0.0 -0.411 50.3 -74.6-115.2-170.5 11.4 10.0 28.9 27 24 A T S S+ 0 0 77 1,-0.2 2,-0.7 -2,-0.2 21,-0.1 0.868 127.8 55.1 -57.8 -34.9 14.7 9.7 30.8 28 25 A F S S+ 0 0 145 21,-0.1 -2,-0.5 22,-0.0 69,-0.3 -0.895 85.3 86.1-105.9 112.0 15.9 12.4 28.4 29 26 A G - 0 0 2 -2,-0.7 2,-0.3 67,-0.1 67,-0.2 -0.828 44.9-168.1 169.7 155.4 13.7 15.5 28.4 30 27 A H E -A 95 0A 8 65,-1.9 65,-2.4 -2,-0.2 2,-0.4 -0.981 10.6-148.4-163.0 150.6 13.4 18.7 30.4 31 28 A I E -A 94 0A 7 -2,-0.3 14,-0.5 63,-0.2 2,-0.3 -0.956 16.1-171.9-125.0 142.6 11.1 21.6 31.0 32 29 A S E -A 93 0A 0 61,-2.5 61,-1.1 -2,-0.4 2,-0.4 -0.816 9.7-150.3-128.0 168.9 12.0 25.2 31.9 33 30 A A E -AB 92 43A 5 10,-1.6 10,-3.5 -2,-0.3 59,-0.2 -0.997 22.9-118.6-144.1 135.3 10.2 28.4 32.9 34 31 A R E - B 0 42A 15 57,-2.6 8,-0.3 -2,-0.4 6,-0.1 -0.537 45.5-100.9 -70.3 134.4 11.1 32.0 32.4 35 32 A D > - 0 0 8 6,-2.7 3,-0.7 3,-0.5 6,-0.3 -0.426 28.0-150.2 -58.4 115.6 11.6 33.7 35.8 36 33 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.599 98.2 49.1 -65.5 -8.8 8.3 35.6 36.2 37 34 A E T 3 S+ 0 0 122 1,-0.3 -2,-0.1 -36,-0.0 -3,-0.0 0.641 123.9 25.3-101.3 -22.3 10.2 38.2 38.2 38 35 A D X - 0 0 63 -3,-0.7 3,-2.1 3,-0.2 -3,-0.5 -0.809 58.9-163.0-150.0 103.8 13.0 38.6 35.7 39 36 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.685 90.5 68.0 -56.8 -22.0 12.6 37.9 31.9 40 37 A A T 3 S+ 0 0 48 -6,-0.1 23,-0.8 22,-0.0 2,-0.3 0.483 101.8 58.1 -79.2 -0.6 16.4 37.8 31.5 41 38 A S E < - C 0 62A 12 -3,-2.1 -6,-2.7 -6,-0.3 2,-0.3 -0.916 59.7-176.5-130.4 156.0 16.4 34.6 33.5 42 39 A F E -BC 34 61A 0 19,-1.9 19,-2.6 -2,-0.3 2,-0.4 -0.971 22.1-121.6-146.2 159.1 14.8 31.2 33.3 43 40 A F E +BC 33 60A 4 -10,-3.5 -10,-1.6 -2,-0.3 2,-0.3 -0.861 31.3 161.4-110.2 140.0 14.7 28.1 35.5 44 41 A L E - C 0 59A 0 15,-1.9 15,-2.9 -2,-0.4 -12,-0.1 -0.974 38.2-106.8-156.1 137.3 15.8 24.5 34.6 45 42 A A E - C 0 58A 6 -14,-0.5 29,-0.5 -2,-0.3 13,-0.2 -0.299 40.6-104.1 -66.3 146.6 16.8 21.4 36.6 46 43 A Q - 0 0 20 11,-2.6 2,-1.0 1,-0.2 27,-0.3 -0.222 58.5 -70.9 -63.4 161.8 20.4 20.4 36.8 47 44 A K S S+ 0 0 97 25,-1.8 2,-0.3 24,-0.0 -1,-0.2 -0.398 88.7 123.7 -61.3 96.9 21.4 17.4 34.7 48 45 A L S S- 0 0 65 -2,-1.0 5,-0.1 -3,-0.1 -3,-0.0 -0.937 71.2 -72.2-149.1 168.6 19.6 14.5 36.5 49 46 A A > - 0 0 47 -2,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.498 45.2-129.6 -65.6 129.8 17.2 11.7 36.0 50 47 A P G > S+ 0 0 8 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.846 106.3 60.8 -49.2 -40.6 13.7 13.3 35.6 51 48 A S G 3 S+ 0 0 86 1,-0.2 -2,-0.1 -31,-0.0 -24,-0.0 0.591 105.6 48.8 -66.0 -11.2 12.2 11.0 38.2 52 49 A L G < S+ 0 0 118 -3,-2.4 -1,-0.2 2,-0.1 2,-0.2 0.423 79.9 123.7-109.1 -0.6 14.6 12.4 40.8 53 50 A I < + 0 0 8 -3,-1.3 2,-0.2 -4,-0.4 -36,-0.1 -0.418 33.2 173.4 -67.9 130.2 14.1 16.1 40.2 54 51 A T > - 0 0 65 -2,-0.2 3,-1.9 1,-0.0 4,-0.3 -0.739 50.4 -93.9-125.5 175.2 13.1 18.1 43.3 55 52 A V G > S+ 0 0 31 1,-0.3 3,-1.1 -2,-0.2 -2,-0.0 0.813 123.7 61.7 -62.0 -27.4 12.7 21.9 43.9 56 53 A D G 3 S+ 0 0 105 1,-0.2 -1,-0.3 -11,-0.0 -3,-0.0 0.435 95.4 62.6 -78.9 1.9 16.3 21.9 45.2 57 54 A D G < S+ 0 0 20 -3,-1.9 -11,-2.6 2,-0.1 2,-0.3 0.454 75.2 111.8-104.1 -3.6 17.5 20.8 41.8 58 55 A I E < -C 45 0A 15 -3,-1.1 -13,-0.3 -4,-0.3 2,-0.3 -0.544 51.3-157.5 -77.3 133.1 16.4 23.8 39.8 59 56 A Q E -C 44 0A 2 -15,-2.9 -15,-1.9 -2,-0.3 2,-0.5 -0.708 13.8-125.0-107.9 160.1 19.1 26.1 38.5 60 57 A R E -C 43 0A 85 -2,-0.3 8,-0.4 -17,-0.2 9,-0.4 -0.912 30.9-176.9-106.5 126.4 19.0 29.8 37.4 61 58 A F E -C 42 0A 2 -19,-2.6 -19,-1.9 -2,-0.5 6,-0.2 -0.877 18.7-135.9-122.4 154.7 20.2 30.6 33.9 62 59 A N E > -C 41 0A 56 4,-1.6 3,-2.2 -2,-0.3 -21,-0.2 -0.436 44.7 -90.4 -96.3 177.0 20.6 33.8 31.9 63 60 A L T 3 S+ 0 0 42 -23,-0.8 22,-0.2 1,-0.3 -22,-0.1 0.456 127.6 62.8 -70.2 3.7 19.5 34.3 28.3 64 61 A D T 3 S- 0 0 105 2,-0.2 -1,-0.3 21,-0.0 3,-0.1 0.363 117.9-111.9-104.4 0.3 23.0 33.1 27.3 65 62 A G S < S+ 0 0 0 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.799 74.1 129.8 74.7 30.6 22.4 29.7 28.9 66 63 A E - 0 0 83 -4,-0.1 -4,-1.6 11,-0.1 2,-0.3 -0.917 35.6-167.2-120.6 146.6 24.9 30.2 31.8 67 64 A T - 0 0 37 -2,-0.4 -6,-0.1 -6,-0.2 6,-0.0 -0.946 29.7-142.6-132.7 152.1 24.5 29.7 35.5 68 65 A S S S+ 0 0 131 -8,-0.4 -1,-0.1 -2,-0.3 -7,-0.1 0.650 73.4 113.1 -81.2 -17.5 26.4 30.5 38.7 69 66 A D - 0 0 41 -9,-0.4 -2,-0.2 1,-0.2 -10,-0.0 -0.319 64.7-146.8 -57.3 134.0 25.3 27.1 40.0 70 67 A N + 0 0 153 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.543 67.9 99.3 -81.8 -8.3 28.3 24.8 40.4 71 68 A R S S- 0 0 69 1,-0.1 -2,-0.0 -25,-0.0 -24,-0.0 -0.477 86.6 -89.2 -82.7 151.8 26.2 21.7 39.5 72 69 A P - 0 0 77 0, 0.0 -25,-1.8 0, 0.0 2,-0.2 -0.242 45.6-154.6 -57.3 141.9 26.2 20.1 36.0 73 70 A S - 0 0 15 -27,-0.3 -27,-0.1 -3,-0.1 2,-0.1 -0.739 26.8 -83.4-117.7 166.4 23.5 21.4 33.6 74 71 A Y > - 0 0 18 -29,-0.5 3,-1.2 -2,-0.2 4,-0.1 -0.449 30.1-139.2 -68.6 138.9 21.7 20.0 30.6 75 72 A L T > S+ 0 0 81 1,-0.3 3,-0.6 -2,-0.1 -1,-0.1 0.808 102.8 56.1 -68.3 -29.4 23.7 20.3 27.4 76 73 A E T >> + 0 0 11 1,-0.2 3,-1.6 2,-0.1 4,-0.6 0.108 69.5 111.6 -91.4 21.9 20.5 21.2 25.5 77 74 A R H X> + 0 0 36 -3,-1.2 4,-1.9 1,-0.3 3,-0.6 0.778 66.8 70.1 -64.2 -24.8 19.8 24.2 27.8 78 75 A Y H <> S+ 0 0 34 -3,-0.6 4,-2.0 64,-0.3 -1,-0.3 0.721 86.2 66.2 -65.7 -21.3 20.6 26.4 24.9 79 76 A I H <> S+ 0 0 1 -3,-1.6 4,-0.9 63,-0.3 -1,-0.2 0.910 106.6 41.5 -65.7 -41.0 17.4 25.2 23.3 80 77 A H H < + 0 0 27 -4,-2.5 3,-1.4 1,-0.1 -1,-0.2 -0.769 59.0 175.3-125.0 86.5 10.1 34.7 21.8 88 85 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.775 82.4 61.2 -58.3 -28.3 9.3 37.2 24.6 89 86 A D T 3 S+ 0 0 89 -3,-0.1 2,-0.3 2,-0.0 -5,-0.1 0.725 85.5 92.2 -72.0 -23.9 5.7 35.8 24.7 90 87 A V < + 0 0 0 -3,-1.4 83,-0.2 -7,-0.2 3,-0.1 -0.576 42.6 170.0 -76.8 131.8 7.0 32.3 25.6 91 88 A Q + 0 0 62 81,-2.8 -57,-2.6 -2,-0.3 2,-0.3 0.426 66.7 35.1-118.2 -7.2 7.2 31.6 29.4 92 89 A C E -AD 33 172A 0 80,-1.5 80,-1.3 -59,-0.2 2,-0.4 -0.990 58.6-168.4-152.0 140.4 7.9 27.9 29.2 93 90 A V E -AD 32 171A 0 -61,-1.1 -61,-2.5 -2,-0.3 2,-0.4 -0.999 6.6-169.1-132.6 133.1 9.8 25.5 26.9 94 91 A L E -AD 31 170A 0 76,-2.9 76,-2.8 -2,-0.4 2,-0.4 -0.977 3.7-168.5-126.7 135.4 9.7 21.7 26.9 95 92 A H E +AD 30 169A 0 -65,-2.4 -65,-1.9 -2,-0.4 2,-0.3 -0.986 24.1 141.1-123.5 130.9 11.9 19.3 25.1 96 93 A T E - D 0 168A 0 72,-2.1 72,-3.1 -2,-0.4 -67,-0.1 -0.901 55.6-121.7-152.5 179.3 11.1 15.5 24.8 97 94 A H - 0 0 47 -73,-0.3 5,-0.1 -69,-0.3 -72,-0.1 -0.332 41.3-165.5-123.2 43.8 11.2 12.6 22.5 98 95 A S > - 0 0 2 1,-0.1 4,-2.8 70,-0.1 3,-0.5 -0.092 17.9-132.0 -39.1 113.8 7.4 12.1 22.8 99 96 A P T 4 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -75,-0.1 0.807 98.7 39.9 -36.0 -64.5 6.7 8.5 21.4 100 97 A A T 4 S+ 0 0 20 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.815 120.5 46.1 -64.7 -32.9 3.8 9.1 19.0 101 98 A V T >4 S+ 0 0 0 -3,-0.5 3,-1.8 1,-0.2 4,-0.5 0.849 92.9 80.9 -78.2 -36.2 5.3 12.4 17.7 102 99 A L G >< S+ 0 0 55 -4,-2.8 3,-2.2 1,-0.3 4,-0.3 0.799 83.4 59.4 -39.7 -48.3 8.8 11.1 17.3 103 100 A P G > S+ 0 0 49 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.838 96.2 62.8 -55.4 -33.7 8.2 9.5 13.8 104 101 A Y G < S+ 0 0 10 -3,-1.8 3,-0.3 -4,-0.3 -2,-0.2 0.650 90.6 69.8 -66.8 -13.1 7.2 12.9 12.4 105 102 A C G < S+ 0 0 3 -3,-2.2 60,-1.7 -4,-0.5 -1,-0.3 0.599 111.3 28.5 -78.2 -13.9 10.8 14.0 13.2 106 103 A F S < S+ 0 0 126 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.242 106.3 74.8-135.5 21.5 12.1 11.7 10.4 107 104 A V S S- 0 0 64 -4,-0.3 57,-0.0 -3,-0.3 0, 0.0 -0.897 74.1-123.5-128.3 160.2 9.4 11.3 7.7 108 105 A D S S+ 0 0 153 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.859 81.0 102.8 -71.6 -33.0 8.2 13.6 5.0 109 106 A T S S- 0 0 51 1,-0.1 -2,-0.2 -3,-0.0 2,-0.1 -0.264 72.9-131.1 -54.4 120.1 4.5 13.5 6.1 110 107 A P - 0 0 61 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.435 13.0-118.5 -76.7 147.4 3.7 16.7 8.0 111 108 A L + 0 0 2 14,-0.4 14,-1.8 -7,-0.1 78,-0.1 -0.778 46.0 171.7 -87.6 105.2 2.0 16.7 11.4 112 109 A R - 0 0 89 -2,-1.0 12,-0.2 12,-0.2 11,-0.1 -0.855 39.3 -90.1-115.4 150.9 -1.3 18.5 10.8 113 110 A P + 0 0 2 0, 0.0 91,-1.9 0, 0.0 3,-0.1 -0.339 41.6 167.4 -61.4 134.7 -4.3 19.0 13.1 114 111 A V + 0 0 33 1,-0.2 2,-0.3 89,-0.2 88,-0.1 0.441 66.1 33.2-124.5 -12.2 -7.0 16.3 12.7 115 112 A T S > S- 0 0 48 89,-0.1 3,-2.0 1,-0.0 4,-0.4 -0.936 88.6-104.5-138.8 163.5 -9.1 17.1 15.8 116 113 A H G > S+ 0 0 121 -2,-0.3 3,-1.3 1,-0.3 4,-0.3 0.815 116.7 66.3 -58.7 -30.3 -10.0 20.2 17.6 117 114 A X G 3 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.643 102.1 48.0 -67.8 -13.0 -7.6 19.3 20.4 118 115 A G G X S+ 0 0 0 -3,-2.0 3,-2.5 1,-0.1 4,-0.3 0.447 77.3 104.6-105.8 -0.8 -4.7 19.7 17.9 119 116 A A G X + 0 0 2 -3,-1.3 3,-1.4 -4,-0.4 94,-0.2 0.768 66.6 72.1 -50.1 -32.1 -5.8 23.1 16.6 120 117 A F G 3 S+ 0 0 15 -4,-0.3 39,-0.3 1,-0.3 -1,-0.3 0.674 82.6 74.3 -61.1 -16.2 -3.0 24.8 18.6 121 118 A I G < S- 0 0 2 -3,-2.5 38,-0.4 1,-0.2 3,-0.4 0.860 90.6-149.7 -64.7 -36.6 -0.5 23.3 16.2 122 119 A G < - 0 0 22 -3,-1.4 -1,-0.2 -4,-0.3 3,-0.1 -0.645 58.0 -25.4 94.5-158.9 -1.4 25.7 13.4 123 120 A E S S- 0 0 156 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.925 126.5 -35.0 -54.1 -50.2 -1.1 24.6 9.7 124 121 A S - 0 0 29 -3,-0.4 -1,-0.2 -12,-0.2 -12,-0.2 -0.967 70.0 -85.4-166.9 161.8 1.5 22.0 10.6 125 122 A V - 0 0 5 -14,-1.8 -14,-0.4 -2,-0.3 36,-0.2 -0.674 48.1-124.5 -80.4 122.7 4.5 21.5 12.9 126 123 A P - 0 0 20 0, 0.0 36,-2.9 0, 0.0 2,-0.5 -0.331 19.1-139.8 -65.5 149.2 7.6 23.0 11.5 127 124 A V E -e 162 0A 72 34,-0.2 2,-0.5 27,-0.1 36,-0.2 -0.950 4.0-148.8-117.3 117.9 10.7 20.8 11.1 128 125 A Y E -e 163 0A 12 34,-3.8 36,-2.6 -2,-0.5 2,-0.6 -0.736 12.9-164.3 -84.1 123.6 14.2 22.0 11.9 129 126 A E > - 0 0 41 -2,-0.5 3,-1.5 34,-0.2 4,-0.4 -0.904 11.4-166.0-114.7 104.8 16.7 20.3 9.7 130 127 A I T >> S+ 0 0 10 -2,-0.6 4,-1.9 1,-0.3 3,-0.8 0.757 85.9 67.0 -59.3 -26.2 20.3 20.6 10.9 131 128 A R H 3> S+ 0 0 123 1,-0.2 4,-1.5 3,-0.2 -1,-0.3 0.788 83.3 75.0 -66.1 -28.5 21.6 19.4 7.6 132 129 A D H <4 S+ 0 0 130 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 119.7 8.7 -52.2 -39.3 20.3 22.5 5.8 133 130 A K H <4 S+ 0 0 118 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.508 137.7 40.1-121.6 -10.0 23.1 24.7 7.3 134 131 A H H < S- 0 0 69 -4,-1.9 3,-0.4 1,-0.2 -3,-0.2 0.323 95.9-123.4-126.4 10.4 25.5 22.2 8.9 135 132 A G < - 0 0 36 -4,-1.5 3,-0.4 1,-0.2 -1,-0.2 -0.078 39.3 -67.9 75.8-179.8 25.8 19.1 6.7 136 133 A D S S+ 0 0 112 1,-0.2 -1,-0.2 -5,-0.1 -5,-0.1 -0.301 111.9 76.5-108.0 48.1 25.1 15.5 7.5 137 134 A E + 0 0 184 -3,-0.4 -1,-0.2 -2,-0.1 -2,-0.1 0.185 68.0 113.0-136.9 13.6 27.9 14.7 9.9 138 135 A T S S- 0 0 51 -3,-0.4 -7,-0.0 1,-0.1 -3,-0.0 -0.236 76.1-114.9 -83.8 174.3 26.6 16.4 13.0 139 136 A D - 0 0 120 2,-0.1 3,-0.1 -2,-0.0 -1,-0.1 0.323 41.0-126.7 -91.7 6.7 25.5 14.9 16.3 140 137 A L + 0 0 50 1,-0.2 -10,-0.1 2,-0.0 2,-0.1 0.424 68.6 129.8 64.2 -2.3 21.9 16.0 15.8 141 138 A F - 0 0 82 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.283 63.8-132.9 -80.1 165.8 22.1 17.6 19.2 142 139 A G + 0 0 0 -3,-0.1 -63,-0.3 1,-0.1 -64,-0.3 -0.529 56.5 134.6-115.1 61.3 21.2 21.2 20.2 143 140 A G + 0 0 41 -2,-0.3 -67,-0.1 -65,-0.1 -1,-0.1 -0.274 54.0 56.7-107.4 47.8 24.2 21.9 22.3 144 141 A S S > S- 0 0 30 -2,-0.1 4,-3.0 1,-0.1 5,-0.3 -0.899 76.6-121.4-171.6 141.8 25.2 25.4 21.0 145 142 A P H > S+ 0 0 61 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.858 111.2 51.2 -54.1 -42.7 23.7 28.9 20.8 146 143 A D H > S+ 0 0 88 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.931 114.6 41.4 -64.6 -47.9 24.1 29.1 17.0 147 144 A V H >> S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.956 117.5 47.7 -64.5 -49.2 22.5 25.7 16.3 148 145 A C H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.712 104.9 62.3 -64.9 -18.4 19.8 26.4 18.8 149 146 A A H 3X S+ 0 0 32 -4,-1.1 4,-2.0 -5,-0.3 -1,-0.3 0.885 103.2 48.4 -72.2 -38.6 19.4 29.8 17.2 150 147 A D H < S+ 0 0 1 -4,-2.3 3,-2.2 -5,-0.2 -1,-0.2 0.893 80.8 164.1 -63.4 -38.2 10.1 27.5 15.3 156 153 A G T 3< S- 0 0 34 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 -0.376 70.4 -30.0 59.2-124.6 9.3 31.1 14.2 157 154 A S T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.213 109.7 112.9-109.8 11.4 6.1 32.1 15.8 158 155 A Q S < S- 0 0 58 -3,-2.2 -36,-0.1 -4,-0.1 -37,-0.1 -0.101 71.8-120.2 -79.5-179.7 4.5 28.7 16.1 159 156 A T S S+ 0 0 20 -38,-0.4 12,-2.1 -39,-0.3 2,-0.3 0.638 89.2 26.4 -95.8 -17.7 3.7 26.6 19.1 160 157 A V E - F 0 170A 1 -39,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.982 56.5-171.8-145.4 155.0 5.8 23.5 18.3 161 158 A V E - F 0 169A 0 8,-1.9 8,-2.3 -2,-0.3 2,-0.4 -0.982 14.9-142.7-149.5 137.1 8.9 22.6 16.4 162 159 A L E -eF 127 168A 2 -36,-2.9 -34,-3.8 -2,-0.3 2,-0.7 -0.833 7.9-145.6-102.6 138.6 10.4 19.2 15.5 163 160 A X E >> -eF 128 167A 2 4,-2.8 3,-2.0 -2,-0.4 4,-1.5 -0.918 36.6-110.8-103.0 111.0 14.2 18.6 15.5 164 161 A A T 34 S- 0 0 7 -36,-2.6 -58,-0.2 -2,-0.7 -34,-0.2 -0.094 93.0 -4.7 -46.9 130.8 14.8 16.1 12.7 165 162 A R T 34 S+ 0 0 74 -60,-1.7 -1,-0.3 -63,-0.2 -59,-0.1 0.748 132.6 66.1 55.2 27.9 15.9 12.7 13.8 166 163 A H T <4 S- 0 0 19 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.527 93.8 -77.6-136.8 -72.3 16.0 14.1 17.4 167 164 A G E < - F 0 163A 0 -4,-1.5 -4,-2.8 -62,-0.1 2,-0.3 -0.932 40.7 -68.6-175.3-159.9 12.9 15.2 19.2 168 165 A V E -DF 96 162A 0 -72,-3.1 -72,-2.1 -2,-0.3 2,-0.5 -0.919 22.2-157.6-126.5 147.0 10.2 17.7 19.9 169 166 A V E -DF 95 161A 0 -8,-2.3 -8,-1.9 -2,-0.3 2,-0.4 -0.985 9.7-168.4-125.9 124.5 10.1 21.2 21.4 170 167 A N E -DF 94 160A 2 -76,-2.8 -76,-2.9 -2,-0.5 2,-0.3 -0.908 6.5-175.2-111.0 137.2 6.8 22.6 22.9 171 168 A V E +D 93 0A 0 -12,-2.1 2,-0.3 -2,-0.4 -78,-0.2 -0.861 12.1 145.8-127.4 164.8 6.4 26.3 23.9 172 169 A G E -D 92 0A 3 -80,-1.3 -81,-2.8 -2,-0.3 -80,-1.5 -0.977 56.5 -90.9-179.0 176.9 3.7 28.3 25.5 173 170 A K S S+ 0 0 137 -2,-0.3 2,-0.3 -83,-0.2 3,-0.1 0.438 104.6 19.4 -87.8 -0.6 2.8 31.2 27.9 174 171 A S S > S- 0 0 38 -82,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.982 76.6-112.5-162.0 156.7 2.7 29.1 31.0 175 172 A V H > S+ 0 0 7 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.933 119.5 52.9 -58.5 -44.9 4.0 25.8 32.4 176 173 A R H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 108.3 50.5 -58.9 -37.6 0.4 24.5 32.5 177 174 A E H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.917 110.1 48.7 -68.1 -43.8 -0.1 25.4 28.9 178 175 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.891 111.8 49.4 -64.2 -39.2 3.0 23.7 27.7 179 176 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.932 112.9 47.6 -64.5 -45.0 2.1 20.5 29.6 180 177 A F H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.955 115.1 45.1 -59.5 -51.5 -1.5 20.6 28.2 181 178 A R H X S+ 0 0 38 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.875 111.2 52.5 -61.7 -40.2 -0.2 21.1 24.6 182 179 A A H X S+ 0 0 1 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.908 110.3 49.3 -63.8 -40.4 2.5 18.4 25.0 183 180 A F H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.939 116.0 40.9 -64.8 -47.6 -0.1 15.9 26.1 184 181 A Y H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.743 108.0 59.9 -76.1 -20.4 -2.5 16.7 23.3 185 182 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.916 107.3 49.0 -68.2 -41.8 0.2 16.9 20.7 186 183 A E H X S+ 0 0 24 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.922 113.0 45.7 -61.7 -44.2 1.1 13.3 21.6 187 184 A Q H X S+ 0 0 74 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.880 112.4 51.6 -68.5 -36.3 -2.6 12.2 21.3 188 185 A E H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.911 110.0 48.1 -66.1 -43.3 -3.0 14.1 18.0 189 186 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.903 111.0 51.7 -64.8 -40.3 0.0 12.4 16.5 190 187 A A H X S+ 0 0 44 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.930 111.3 48.1 -61.2 -43.9 -1.2 9.0 17.6 191 188 A A H X S+ 0 0 44 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.925 111.8 47.4 -63.5 -48.2 -4.6 9.7 16.1 192 189 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.906 110.4 53.1 -61.5 -41.7 -3.2 10.9 12.7 193 190 A T H X S+ 0 0 55 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.935 111.9 45.2 -59.9 -45.6 -0.8 7.9 12.5 194 191 A A H >< S+ 0 0 35 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.945 113.4 51.3 -62.4 -47.7 -3.7 5.5 13.1 195 192 A G H >X S+ 0 0 20 -4,-2.9 4,-2.3 1,-0.2 3,-1.7 0.874 98.6 63.5 -57.9 -41.5 -5.9 7.4 10.6 196 193 A L H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.5 41.2 -57.4 -28.6 -3.3 7.3 7.8 197 194 A K T << S+ 0 0 165 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.439 112.0 55.0-100.3 2.5 -3.5 3.5 7.7 198 195 A I T <4 S- 0 0 142 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.770 120.6 -60.7 -98.6 -37.9 -7.3 3.3 8.1 199 196 A G S < S- 0 0 40 -4,-2.3 2,-0.4 0, 0.0 -1,-0.3 -0.939 79.2 -27.9-178.9-160.4 -8.3 5.5 5.2 200 197 A N - 0 0 174 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.677 60.6-132.6 -82.5 127.8 -8.1 8.9 3.6 201 198 A V - 0 0 42 -2,-0.4 2,-0.7 -5,-0.1 -1,-0.0 -0.628 10.6-157.5 -84.8 131.6 -7.7 11.7 6.2 202 199 A K - 0 0 197 -2,-0.3 3,-0.1 -88,-0.1 -1,-0.0 -0.923 25.8-153.3-108.3 103.5 -9.9 14.8 6.0 203 200 A Y - 0 0 56 -2,-0.7 -89,-0.2 1,-0.1 2,-0.1 -0.158 24.3 -84.7 -74.6 166.8 -7.9 17.4 8.0 204 201 A L - 0 0 18 -91,-1.9 -1,-0.1 -89,-0.1 -89,-0.1 -0.445 50.1-118.5 -67.9 145.9 -9.0 20.5 9.9 205 202 A S > - 0 0 45 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.419 22.3-108.6 -82.5 161.5 -9.4 23.5 7.6 206 203 A P H > S+ 0 0 108 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.891 122.8 54.4 -57.6 -34.8 -7.4 26.6 8.1 207 204 A G H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 109.3 44.3 -64.9 -42.1 -10.6 28.2 9.3 208 205 A E H > S+ 0 0 105 2,-0.2 4,-3.0 1,-0.2 5,-0.5 0.839 110.1 56.8 -71.7 -34.0 -11.3 25.5 12.0 209 206 A I H X S+ 0 0 25 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.916 111.2 43.6 -62.8 -41.4 -7.6 25.7 13.0 210 207 A K H < S+ 0 0 136 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.929 121.7 37.7 -69.1 -47.6 -8.0 29.4 13.7 211 208 A T H >< S+ 0 0 87 -4,-2.3 3,-1.1 1,-0.2 4,-0.2 0.932 120.9 42.8 -72.3 -47.9 -11.4 29.2 15.5 212 209 A A H >< S+ 0 0 22 -4,-3.0 3,-1.5 1,-0.3 -3,-0.2 0.819 102.7 67.8 -69.7 -31.2 -10.8 25.9 17.4 213 210 A G T 3< S+ 0 0 28 -4,-1.4 -1,-0.3 -5,-0.5 -2,-0.1 0.348 97.4 57.1 -72.0 10.7 -7.3 26.9 18.4 214 211 A K T < S+ 0 0 145 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.468 86.0 73.2-116.7 -8.3 -8.9 29.6 20.6 215 212 A L < + 0 0 117 -3,-1.5 2,-2.3 -4,-0.2 4,-0.3 0.340 62.7 108.7 -88.3 6.8 -11.1 27.5 22.8 216 213 A V + 0 0 32 -4,-0.2 -1,-0.2 1,-0.1 4,-0.1 -0.364 52.7 112.2 -80.3 59.9 -8.1 26.2 24.7 217 214 A G S > S+ 0 0 41 -2,-2.3 3,-1.9 2,-0.1 4,-0.4 0.688 80.0 7.5 -96.9-105.8 -9.1 28.3 27.7 218 215 A A T 3> S+ 0 0 84 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.615 115.5 82.2 -56.8 -10.7 -10.4 26.9 31.0 219 216 A Q H 3> S+ 0 0 56 -4,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.889 78.2 64.6 -62.4 -40.5 -9.4 23.6 29.5 220 217 A I H <> S+ 0 0 12 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.904 105.6 42.4 -50.0 -50.1 -5.8 24.0 30.5 221 218 A D H > S+ 0 0 74 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.844 109.7 56.2 -69.7 -34.9 -6.5 24.0 34.2 222 219 A R H X S+ 0 0 181 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.937 110.1 47.3 -62.3 -44.0 -9.0 21.1 34.0 223 220 A G H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.937 111.2 50.7 -61.3 -46.6 -6.3 19.0 32.4 224 221 A W H X S+ 0 0 16 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.907 111.9 46.8 -58.3 -43.9 -3.7 20.1 35.0 225 222 A N H X S+ 0 0 92 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.879 112.6 51.0 -66.8 -37.9 -6.0 19.1 37.9 226 223 A H H X S+ 0 0 109 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.971 114.0 41.6 -63.7 -55.6 -6.8 15.8 36.2 227 224 A W H X S+ 0 0 7 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.843 114.3 54.1 -62.7 -31.0 -3.2 14.8 35.7 228 225 A S H X S+ 0 0 11 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.927 109.2 47.4 -68.0 -42.6 -2.3 16.1 39.1 229 226 A Q H X S+ 0 0 83 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.907 107.6 56.4 -63.0 -41.4 -5.0 14.0 40.6 230 227 A R H X S+ 0 0 91 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.843 104.0 54.8 -60.1 -32.0 -3.8 11.0 38.6 231 228 A L H <>S+ 0 0 3 -4,-1.4 5,-2.6 2,-0.2 4,-0.4 0.894 107.9 48.1 -67.5 -40.2 -0.4 11.6 40.2 232 229 A R H ><5S+ 0 0 142 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.912 108.3 54.9 -65.9 -41.2 -1.9 11.4 43.7 233 230 A Q H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.867 110.7 45.5 -59.1 -37.4 -3.7 8.2 42.7 234 231 A A T 3<5S- 0 0 61 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.484 112.4-120.6 -85.5 -3.5 -0.4 6.6 41.7 235 232 A G T < 5S+ 0 0 64 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.769 72.0 134.5 69.6 25.0 1.3 7.8 44.9 236 233 A L < 0 0 78 -5,-2.6 -4,-0.2 1,-0.4 -1,-0.1 0.035 360.0 360.0 -93.4 26.5 3.8 9.8 42.8 237 234 A A 0 0 103 -6,-0.3 -1,-0.4 -5,-0.2 -3,-0.1 -0.157 360.0 360.0 69.5 360.0 3.4 12.8 45.1