==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUL-10 3O3P . COMPND 2 MOLECULE: MANNOSYL-3-PHOSPHOGLYCERATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RUBROBACTER XYLANOPHILUS; . AUTHOR S.MACEDO-RIBEIRO,P.J.B.PEREIRA,N.EMPADINHAS,M.S.DA COSTA . 635 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 7.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 52 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 5 2 2 2 5 1 1 1 0 2 1 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 0 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 PARALLEL BRIDGES PER LADDER . 3 2 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 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 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 G 0 0 117 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-132.2 61.7 -36.7 17.6 2 11 A P - 0 0 21 0, 0.0 226,-0.1 0, 0.0 227,-0.1 -0.894 360.0-138.0-103.8 137.6 58.8 -34.9 19.5 3 12 A A S S- 0 0 45 -2,-0.4 2,-0.3 1,-0.1 598,-0.1 0.804 80.0 -0.3 -64.6 -32.9 56.7 -36.9 22.0 4 13 A S S > S- 0 0 27 1,-0.1 4,-2.7 598,-0.1 5,-0.2 -0.943 72.7-100.6-149.1 169.7 53.4 -35.3 20.8 5 14 A A H > S+ 0 0 5 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.838 125.6 57.3 -56.9 -33.3 51.7 -32.9 18.4 6 15 A A H > S+ 0 0 28 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.893 107.0 45.5 -64.8 -41.8 51.8 -30.7 21.5 7 16 A E H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 114.9 47.0 -70.1 -44.0 55.5 -30.9 21.8 8 17 A W H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.955 108.8 54.2 -59.3 -51.2 56.1 -30.3 18.1 9 18 A F H X S+ 0 0 29 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.812 109.1 52.6 -53.4 -31.9 53.7 -27.4 18.1 10 19 A R H < S+ 0 0 179 -4,-1.2 3,-0.4 -5,-0.2 -1,-0.2 0.971 120.0 29.2 -64.4 -56.6 55.9 -26.1 21.0 11 20 A Q H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.599 123.8 44.5 -85.8 -15.7 59.2 -26.3 19.1 12 21 A R H < S+ 0 0 46 -4,-2.8 221,-2.3 -5,-0.2 2,-0.6 0.285 82.7 93.9-124.4 10.2 58.1 -25.9 15.5 13 22 A S E < +a 233 0A 28 -4,-0.6 221,-0.2 -3,-0.4 2,-0.2 -0.922 52.1 174.7-106.1 119.8 55.7 -23.0 15.3 14 23 A Y E -a 234 0A 34 219,-3.0 221,-2.9 -2,-0.6 2,-0.4 -0.541 27.9-123.4-113.8 178.4 57.3 -19.6 14.5 15 24 A D E > -a 235 0A 60 219,-0.2 3,-2.5 -2,-0.2 4,-0.4 -0.975 19.5-130.7-121.6 138.6 56.3 -16.0 13.8 16 25 A Y G > S+ 0 0 70 219,-2.0 3,-2.1 -2,-0.4 220,-0.1 0.818 105.9 75.8 -57.4 -25.1 57.4 -14.2 10.6 17 26 A G G 3 S+ 0 0 47 1,-0.3 -1,-0.3 218,-0.2 219,-0.0 0.786 87.4 59.0 -53.7 -29.3 58.4 -11.5 13.0 18 27 A Q G < S+ 0 0 104 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.620 100.7 58.5 -78.4 -13.5 61.5 -13.6 13.9 19 28 A F < - 0 0 6 -3,-2.1 -1,-0.2 -4,-0.4 123,-0.1 -0.622 69.4-169.4-121.0 74.3 62.7 -13.7 10.3 20 29 A P >> - 0 0 47 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.429 31.1-122.7 -57.4 137.4 63.3 -10.1 9.1 21 30 A P H 3> S+ 0 0 17 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.763 107.6 59.7 -60.5 -31.8 63.9 -10.4 5.3 22 31 A E H 3> S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.904 106.4 49.2 -64.3 -40.3 67.4 -8.7 5.3 23 32 A D H <> S+ 0 0 68 -3,-0.6 4,-3.9 2,-0.2 5,-0.2 0.956 113.5 46.0 -56.5 -53.2 68.6 -11.5 7.7 24 33 A L H X S+ 0 0 0 -4,-1.7 4,-4.1 2,-0.2 5,-0.3 0.938 111.9 51.2 -57.2 -48.6 67.1 -14.2 5.4 25 34 A A H X S+ 0 0 1 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.959 114.4 44.4 -54.4 -50.9 68.6 -12.5 2.4 26 35 A R H X S+ 0 0 121 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.959 116.1 45.8 -55.7 -53.1 72.0 -12.4 4.2 27 36 A R H X S+ 0 0 94 -4,-3.9 4,-2.7 1,-0.2 5,-0.2 0.933 112.4 51.0 -57.5 -47.7 71.6 -16.0 5.4 28 37 A K H X>S+ 0 0 12 -4,-4.1 5,-1.5 1,-0.2 4,-1.1 0.924 110.2 50.1 -55.8 -47.6 70.5 -17.2 1.9 29 38 A R H ><5S+ 0 0 150 -4,-2.7 3,-0.6 -5,-0.3 -1,-0.2 0.923 110.2 50.9 -56.0 -46.9 73.5 -15.5 0.4 30 39 A E H 3<5S+ 0 0 134 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.927 113.5 43.5 -57.1 -47.8 75.8 -17.2 2.9 31 40 A L H 3<5S- 0 0 80 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.621 104.0-132.3 -74.9 -12.6 74.3 -20.6 2.2 32 41 A G T <<5 + 0 0 54 -4,-1.1 2,-0.2 -3,-0.6 -3,-0.2 0.800 52.8 152.0 61.3 29.7 74.4 -20.0 -1.6 33 42 A L < - 0 0 51 -5,-1.5 2,-0.3 -6,-0.2 -1,-0.2 -0.631 33.4-150.9 -86.7 150.0 70.8 -21.2 -1.9 34 43 A T - 0 0 50 -2,-0.2 87,-2.4 -3,-0.1 86,-0.7 -0.909 8.1-144.7-113.8 149.7 68.4 -20.0 -4.6 35 44 A V E -b 121 0A 0 -2,-0.3 31,-2.3 84,-0.2 32,-1.5 -0.956 6.9-162.9-116.4 132.2 64.7 -19.8 -4.3 36 45 A S E -bc 122 67A 1 85,-3.0 87,-3.4 -2,-0.4 2,-0.5 -0.958 10.8-152.9-106.1 125.5 62.0 -20.5 -6.9 37 46 A A E -bc 123 68A 0 30,-3.5 32,-3.1 -2,-0.5 2,-0.5 -0.858 9.8-160.9 -96.0 130.0 58.5 -19.2 -6.2 38 47 A V E -bc 124 69A 0 85,-3.1 87,-2.5 -2,-0.5 32,-0.2 -0.950 6.7-169.5-116.3 122.9 55.8 -21.2 -8.0 39 48 A L E - c 0 70A 0 30,-3.4 32,-1.8 -2,-0.5 2,-0.4 -0.846 11.9-152.4-115.8 95.3 52.3 -19.7 -8.4 40 49 A P E - c 0 71A 14 0, 0.0 87,-0.8 0, 0.0 2,-0.5 -0.542 27.5-164.7 -63.3 121.4 49.7 -22.2 -9.6 41 50 A S E + c 0 72A 5 30,-2.9 32,-2.4 -2,-0.4 2,-0.4 -0.952 27.6 163.3-129.1 124.7 47.3 -19.8 -11.5 42 51 A R S S- 0 0 169 -2,-0.5 30,-0.1 30,-0.2 64,-0.0 -0.904 80.2 -27.2-141.2 108.1 43.8 -20.3 -12.7 43 52 A N S S+ 0 0 65 -2,-0.4 3,-0.2 1,-0.1 -1,-0.1 0.933 88.0 135.3 49.3 57.1 41.7 -17.2 -13.6 44 53 A V >> + 0 0 8 1,-0.1 4,-2.5 2,-0.1 3,-1.9 -0.119 14.0 133.4-118.5 33.7 43.6 -14.9 -11.2 45 54 A A H 3> S+ 0 0 26 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.861 72.3 54.2 -52.6 -38.9 44.0 -11.9 -13.6 46 55 A D H 34 S+ 0 0 115 -3,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.633 121.3 25.2 -74.5 -12.5 42.9 -9.5 -11.0 47 56 A T H <> S+ 0 0 11 -3,-1.9 4,-1.3 80,-0.1 3,-0.4 0.744 100.7 70.5-124.4 -33.7 45.5 -10.7 -8.4 48 57 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.867 95.7 59.4 -58.0 -40.4 48.7 -12.2 -9.7 49 58 A G H X S+ 0 0 5 -4,-0.5 4,-2.2 -5,-0.3 -1,-0.2 0.921 106.9 47.6 -52.0 -45.6 50.0 -8.9 -11.1 50 59 A G H > S+ 0 0 41 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.807 112.2 48.8 -66.2 -32.2 49.9 -7.5 -7.6 51 60 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.942 110.0 50.0 -77.4 -48.0 51.7 -10.4 -6.1 52 61 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.905 110.7 52.2 -53.4 -43.5 54.4 -10.5 -8.7 53 62 A D H X S+ 0 0 76 -4,-2.2 4,-2.7 -5,-0.3 3,-0.2 0.963 108.8 48.9 -57.2 -52.5 54.9 -6.7 -8.0 54 63 A E H X S+ 0 0 60 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.866 109.1 52.1 -60.6 -39.3 55.2 -7.2 -4.3 55 64 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.3 0.878 111.2 48.7 -62.4 -37.4 57.8 -10.0 -4.7 56 65 A H H X S+ 0 0 65 -4,-1.9 4,-1.3 -3,-0.2 -2,-0.2 0.911 110.1 50.7 -66.1 -43.3 59.7 -7.6 -6.9 57 66 A A H X S+ 0 0 22 -4,-2.7 4,-1.2 1,-0.2 3,-0.3 0.922 111.9 48.5 -61.2 -41.8 59.4 -4.9 -4.3 58 67 A L H >X S+ 0 0 2 -4,-2.5 4,-3.1 1,-0.2 3,-0.5 0.932 103.7 58.4 -64.1 -48.9 60.7 -7.3 -1.7 59 68 A N H 3< S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.806 102.0 58.7 -50.4 -29.6 63.6 -8.4 -3.8 60 69 A E H 3< S+ 0 0 168 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.930 113.0 35.7 -65.6 -45.4 64.7 -4.8 -3.8 61 70 A R H << S+ 0 0 134 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.849 141.3 4.0 -73.1 -35.3 64.9 -4.6 -0.0 62 71 A A S < S- 0 0 1 -4,-3.1 2,-0.6 -5,-0.1 -1,-0.3 -0.832 73.6-127.5-161.3 109.2 66.2 -8.1 0.3 63 72 A P + 0 0 65 0, 0.0 -34,-0.1 0, 0.0 -4,-0.1 -0.461 56.0 132.9 -65.8 105.7 67.1 -10.6 -2.5 64 73 A L + 0 0 1 -2,-0.6 2,-0.5 1,-0.2 -29,-0.2 0.643 54.2 56.9-126.9 -35.7 65.1 -13.7 -1.6 65 74 A I + 0 0 9 -3,-0.2 -1,-0.2 -10,-0.2 -29,-0.2 -0.925 48.3 175.6-112.3 119.2 63.3 -15.0 -4.7 66 75 A D S S+ 0 0 85 -31,-2.3 2,-0.4 -2,-0.5 -30,-0.2 0.743 71.3 30.7 -91.9 -26.5 65.4 -15.8 -7.8 67 76 A Q E -c 36 0A 4 -32,-1.5 -30,-3.5 2,-0.0 2,-0.6 -0.996 59.4-163.1-139.4 130.7 62.7 -17.2 -10.0 68 77 A I E -c 37 0A 12 -2,-0.4 21,-2.6 -32,-0.2 2,-0.5 -0.952 15.5-173.5-114.8 110.3 59.0 -16.4 -10.3 69 78 A L E -cd 38 89A 0 -32,-3.1 -30,-3.4 -2,-0.6 2,-0.6 -0.919 11.7-167.1-106.4 124.1 57.0 -19.0 -12.1 70 79 A V E -cd 39 90A 0 19,-3.1 21,-2.7 -2,-0.5 2,-0.8 -0.941 7.4-162.7-102.0 121.0 53.4 -18.6 -13.0 71 80 A V E -cd 40 91A 1 -32,-1.8 -30,-2.9 -2,-0.6 2,-0.3 -0.905 17.5-155.1-105.5 104.8 51.9 -21.9 -14.1 72 81 A D E -cd 41 92A 7 19,-3.4 21,-3.3 -2,-0.8 22,-0.4 -0.585 23.8-145.8 -91.6 139.6 48.7 -21.0 -15.8 73 82 A A - 0 0 12 -32,-2.4 3,-0.1 -2,-0.3 19,-0.1 -0.096 63.8 -93.0 -85.3 35.9 45.7 -23.2 -16.3 74 83 A D - 0 0 82 17,-0.2 -32,-0.1 1,-0.1 18,-0.1 0.908 59.7-153.4 48.3 43.8 45.2 -21.5 -19.7 75 84 A S > - 0 0 16 -34,-0.3 3,-0.8 1,-0.2 5,-0.2 -0.122 16.1-141.4 -47.4 137.4 42.9 -19.2 -17.8 76 85 A E T 3 S+ 0 0 193 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.541 93.4 72.2 -77.0 -3.6 40.3 -17.7 -20.0 77 86 A D T 3 S- 0 0 63 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.500 115.0-100.9 -98.5 -1.1 40.7 -14.4 -18.2 78 87 A G S <> S+ 0 0 37 -3,-0.8 4,-2.4 3,-0.0 3,-0.2 0.538 72.6 143.9 97.2 9.9 44.1 -13.3 -19.5 79 88 A T H > + 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 69.3 52.4 -46.3 -50.3 46.0 -14.4 -16.4 80 89 A A H > S+ 0 0 32 -5,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 110.8 46.7 -57.1 -47.9 49.0 -15.6 -18.4 81 90 A G H > S+ 0 0 46 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.883 111.9 52.8 -60.9 -38.4 49.3 -12.2 -20.2 82 91 A V H X S+ 0 0 35 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.930 111.2 44.0 -65.2 -44.8 49.0 -10.4 -17.0 83 92 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-0.8 0.919 114.5 50.3 -69.2 -41.2 51.7 -12.3 -15.2 84 93 A A H ><5S+ 0 0 53 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.913 107.0 53.5 -60.9 -44.2 54.0 -12.0 -18.3 85 94 A S H 3<5S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.663 107.9 53.1 -68.1 -14.7 53.5 -8.3 -18.5 86 95 A H T <<5S- 0 0 62 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.429 124.9 -99.5 -99.0 -2.3 54.5 -8.0 -14.8 87 96 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 -4,-0.3 -19,-0.2 0.484 75.6 132.9 102.6 3.3 57.8 -9.9 -15.3 88 97 A A < - 0 0 10 -5,-2.0 2,-0.4 -21,-0.1 -1,-0.3 -0.525 63.3-110.6 -80.1 153.2 57.1 -13.4 -14.2 89 98 A E E -d 69 0A 57 -21,-2.6 -19,-3.1 -2,-0.2 2,-0.4 -0.750 42.2-156.1 -73.6 131.3 58.1 -16.5 -16.2 90 99 A V E +d 70 0A 41 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.938 17.8 173.9-118.6 134.2 54.8 -17.9 -17.4 91 100 A Y E -d 71 0A 66 -21,-2.7 -19,-3.4 -2,-0.4 2,-0.4 -0.975 31.1-119.5-133.7 153.4 54.0 -21.5 -18.5 92 101 A S E >> -d 72 0A 8 -2,-0.3 4,-1.5 -21,-0.2 3,-1.5 -0.764 17.5-137.4 -88.3 132.7 50.9 -23.4 -19.4 93 102 A E T 34 S+ 0 0 19 -21,-3.3 -20,-0.1 -2,-0.4 -1,-0.1 0.746 106.6 54.5 -57.8 -21.5 50.1 -26.3 -17.2 94 103 A N T 34 S+ 0 0 30 -22,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.589 104.7 51.7 -90.8 -12.7 49.3 -28.2 -20.4 95 104 A E T X4 S+ 0 0 145 -3,-1.5 3,-1.0 2,-0.1 2,-0.2 0.734 92.1 83.0 -96.7 -27.9 52.6 -27.6 -22.1 96 105 A L T 3< S+ 0 0 15 -4,-1.5 4,-0.2 1,-0.3 16,-0.1 -0.560 112.4 0.3 -72.6 142.7 54.8 -28.8 -19.2 97 106 A M T > S+ 0 0 31 -2,-0.2 3,-3.1 15,-0.2 -1,-0.3 0.880 82.3 177.5 44.6 43.0 55.3 -32.6 -19.2 98 107 A S G X + 0 0 84 -3,-1.0 3,-2.1 1,-0.3 -1,-0.1 0.714 66.7 78.3 -54.5 -21.3 53.1 -32.5 -22.3 99 108 A G G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.670 88.5 59.3 -57.5 -17.6 53.6 -36.3 -22.5 100 109 A Y G < S- 0 0 77 -3,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.247 106.3-131.1 -95.4 10.3 50.9 -36.5 -19.7 101 110 A G < - 0 0 37 -3,-2.1 -1,-0.3 -4,-0.1 3,-0.1 -0.185 59.5 -8.7 66.7-167.4 48.2 -34.8 -21.7 102 111 A D S S- 0 0 117 1,-0.1 -8,-0.1 -3,-0.1 2,-0.1 -0.224 85.7 -91.0 -66.1 152.0 46.2 -31.9 -20.3 103 112 A A - 0 0 18 1,-0.1 2,-0.8 107,-0.0 -1,-0.1 -0.315 22.6-146.1 -64.9 136.2 46.5 -30.9 -16.6 104 113 A H > - 0 0 59 1,-0.2 107,-2.0 -3,-0.1 4,-0.6 -0.657 59.9 -71.1 -98.8 70.2 44.2 -32.5 -14.0 105 114 A G H > S- 0 0 31 -2,-0.8 4,-2.0 105,-0.2 3,-0.4 -0.099 80.2 -31.3 87.2-172.1 43.9 -29.5 -11.7 106 115 A K H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 130.2 53.2 -57.8 -46.1 46.0 -27.6 -9.2 107 116 A G H > S+ 0 0 0 104,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.877 107.8 51.4 -57.4 -40.9 48.1 -30.6 -8.1 108 117 A D H X S+ 0 0 0 -4,-0.6 4,-2.8 -3,-0.4 -1,-0.2 0.913 110.4 48.8 -66.2 -43.0 49.1 -31.4 -11.7 109 118 A A H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.905 111.1 50.5 -61.0 -41.6 50.2 -27.9 -12.3 110 119 A M H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.879 112.4 46.5 -68.2 -37.2 52.3 -27.9 -9.1 111 120 A W H >< S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.2 4,-0.3 0.962 112.0 49.4 -64.8 -52.4 53.9 -31.1 -10.0 112 121 A R H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 4,-0.3 0.856 97.6 70.0 -61.4 -33.7 54.7 -30.1 -13.6 113 122 A A H >X S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 4,-0.8 0.828 85.1 70.6 -49.4 -33.3 56.2 -26.8 -12.3 114 123 A L T << S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.6 3,-0.2 0.765 85.9 67.0 -58.2 -24.2 59.1 -28.9 -10.9 115 124 A S T <4 S+ 0 0 34 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.675 113.6 28.0 -73.3 -16.0 60.3 -29.5 -14.4 116 125 A V T <4 S+ 0 0 34 -3,-2.0 2,-0.5 -4,-0.3 -1,-0.2 0.294 88.9 113.6-127.8 5.9 61.2 -25.8 -14.8 117 126 A T < - 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