==== 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 TRANSFERASE 01-NOV-09 3KIA . 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 . 621 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 7.7 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 . 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 . 50 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 2 3 4 2 2 0 2 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 14 A A > 0 0 7 0, 0.0 4,-1.1 0, 0.0 589,-0.0 0.000 360.0 360.0 360.0 -65.6 51.5 -33.3 18.5 2 15 A A H > + 0 0 56 2,-0.2 4,-1.6 3,-0.1 5,-0.2 0.840 360.0 49.7 -89.9 -37.4 51.7 -31.0 21.6 3 16 A E H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.842 114.1 49.8 -67.4 -30.8 55.5 -31.2 22.0 4 17 A W H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.899 104.4 56.2 -70.4 -42.8 55.7 -30.4 18.3 5 18 A F H X S+ 0 0 27 -4,-1.1 4,-1.0 1,-0.2 -2,-0.2 0.895 110.3 45.2 -59.7 -43.2 53.3 -27.4 18.5 6 19 A R H < S+ 0 0 182 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.914 120.7 37.8 -63.5 -47.1 55.4 -25.7 21.1 7 20 A Q H < S+ 0 0 86 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.541 122.3 38.8 -89.3 -10.2 58.7 -26.3 19.3 8 21 A R H < S+ 0 0 50 -4,-1.9 221,-2.5 -5,-0.1 2,-0.4 0.399 87.4 93.4-128.5 3.0 57.8 -25.8 15.7 9 22 A S E < +a 229 0A 26 -4,-1.0 2,-0.3 -5,-0.2 221,-0.2 -0.843 53.0 179.2 -96.0 137.7 55.3 -23.0 15.5 10 23 A Y E -a 230 0A 32 219,-2.1 221,-3.5 -2,-0.4 2,-0.4 -0.896 28.1-125.5-133.1 159.6 56.8 -19.6 14.8 11 24 A D E > -a 231 0A 73 -2,-0.3 3,-2.0 219,-0.2 4,-0.2 -0.881 23.6-129.5-103.6 143.6 55.7 -16.0 14.2 12 25 A Y G > S+ 0 0 66 219,-1.9 3,-1.6 -2,-0.4 220,-0.1 0.694 104.1 74.9 -67.9 -16.1 56.8 -14.2 11.0 13 26 A G G 3 S+ 0 0 45 1,-0.3 -1,-0.3 218,-0.2 219,-0.0 0.762 84.6 67.6 -62.0 -25.4 58.1 -11.4 13.2 14 27 A Q G < S+ 0 0 108 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.652 98.9 53.2 -68.5 -17.2 61.0 -13.7 14.1 15 28 A F S < S- 0 0 5 -3,-1.6 -1,-0.2 -4,-0.2 123,-0.1 -0.706 71.8-165.8-125.7 79.9 62.3 -13.6 10.5 16 29 A P >> - 0 0 43 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.468 30.3-121.6 -60.2 139.2 62.8 -10.1 9.2 17 30 A P H 3> S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.785 110.4 54.9 -51.6 -39.1 63.3 -10.2 5.4 18 31 A E H 3> S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.855 107.1 50.0 -69.5 -35.3 66.7 -8.6 5.5 19 32 A D H <> S+ 0 0 63 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.940 112.9 46.4 -65.5 -48.1 68.0 -11.2 7.9 20 33 A L H X S+ 0 0 0 -4,-1.9 4,-3.6 2,-0.2 -2,-0.2 0.924 110.9 52.2 -58.9 -47.7 66.7 -14.1 5.8 21 34 A A H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.937 112.7 45.5 -54.1 -47.4 68.2 -12.5 2.6 22 35 A R H X S+ 0 0 138 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.884 114.7 48.2 -63.9 -39.5 71.5 -12.3 4.4 23 36 A R H X S+ 0 0 94 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.875 110.7 52.0 -68.4 -38.2 71.1 -15.9 5.6 24 37 A K H X>S+ 0 0 18 -4,-3.6 4,-1.5 2,-0.2 5,-1.1 0.944 111.0 45.6 -63.3 -50.8 70.1 -17.0 2.1 25 38 A R H <5S+ 0 0 164 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.918 111.4 54.3 -58.4 -44.4 73.2 -15.5 0.5 26 39 A E H <5S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.7 41.9 -55.5 -35.9 75.3 -16.9 3.3 27 40 A L H <5S- 0 0 79 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.616 102.5-130.5 -93.7 -14.5 74.0 -20.4 2.6 28 41 A G T <5 + 0 0 54 -4,-1.5 2,-0.2 -3,-0.4 -3,-0.2 0.591 55.2 146.4 76.2 11.7 74.1 -20.2 -1.2 29 42 A L < - 0 0 46 -5,-1.1 2,-0.3 87,-0.1 -1,-0.2 -0.563 36.1-150.3 -83.9 143.6 70.5 -21.4 -1.6 30 43 A T - 0 0 49 -2,-0.2 87,-2.5 84,-0.1 86,-0.5 -0.848 8.1-146.7-108.0 149.6 68.1 -20.2 -4.4 31 44 A V E -b 117 0A 0 -2,-0.3 31,-2.0 85,-0.2 32,-1.7 -0.964 6.4-163.3-120.4 130.2 64.4 -20.0 -4.1 32 45 A S E -bc 118 63A 1 85,-2.3 87,-3.2 -2,-0.4 2,-0.5 -0.952 10.6-151.8-107.2 124.7 61.7 -20.6 -6.8 33 46 A A E -bc 119 64A 0 30,-3.1 32,-2.9 -2,-0.5 2,-0.5 -0.840 11.6-160.1 -91.0 126.7 58.2 -19.3 -6.1 34 47 A V E -bc 120 65A 0 85,-3.1 87,-2.6 -2,-0.5 32,-0.2 -0.939 7.3-170.6-113.1 126.8 55.6 -21.3 -7.9 35 48 A L E - c 0 66A 0 30,-3.7 32,-1.2 -2,-0.5 2,-0.2 -0.816 11.5-153.8-117.9 91.4 52.1 -19.8 -8.5 36 49 A P E - c 0 67A 19 0, 0.0 87,-0.6 0, 0.0 2,-0.5 -0.480 25.8-161.9 -60.9 124.9 49.5 -22.2 -9.8 37 50 A S E + c 0 68A 3 30,-2.3 32,-2.3 -2,-0.2 2,-0.3 -0.950 27.4 163.3-124.9 128.6 47.1 -19.9 -11.7 38 51 A R S S- 0 0 166 -2,-0.5 30,-0.0 30,-0.2 32,-0.0 -0.855 79.4 -29.4-142.1 103.4 43.6 -20.4 -12.8 39 52 A N S S+ 0 0 67 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 0.948 88.9 133.3 54.3 57.6 41.5 -17.3 -13.8 40 53 A V >> + 0 0 5 1,-0.1 3,-2.6 2,-0.1 4,-2.5 -0.062 14.0 133.2-123.5 30.0 43.3 -15.0 -11.4 41 54 A A T 34 S+ 0 0 26 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.774 72.4 55.8 -52.1 -30.7 43.9 -12.1 -13.9 42 55 A D T 34 S+ 0 0 116 -3,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.551 120.3 25.9 -82.5 -6.7 42.7 -9.7 -11.3 43 56 A T T <> S+ 0 0 9 -3,-2.6 4,-1.7 80,-0.1 3,-0.3 0.696 98.2 74.0-128.0 -33.0 45.2 -10.7 -8.6 44 57 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.891 94.0 61.5 -55.3 -40.1 48.5 -12.3 -10.0 45 58 A G H > S+ 0 0 5 -4,-0.4 4,-2.3 -5,-0.3 -1,-0.2 0.925 104.9 45.8 -51.3 -52.4 49.7 -8.8 -11.1 46 59 A G H > S+ 0 0 41 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.878 113.4 49.4 -59.8 -41.8 49.6 -7.5 -7.6 47 60 A I H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.954 110.5 48.9 -65.6 -50.2 51.4 -10.5 -6.1 48 61 A I H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.896 113.0 49.9 -55.0 -41.2 54.1 -10.5 -8.7 49 62 A D H X S+ 0 0 76 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.936 109.3 50.0 -62.4 -49.5 54.6 -6.8 -8.0 50 63 A E H X S+ 0 0 60 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.887 109.7 51.4 -56.6 -42.9 54.8 -7.2 -4.3 51 64 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 10,-0.2 0.870 110.1 48.7 -64.6 -38.6 57.4 -10.0 -4.7 52 65 A H H X S+ 0 0 63 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.908 110.9 51.7 -64.6 -42.0 59.5 -7.7 -6.9 53 66 A A H X S+ 0 0 25 -4,-2.7 4,-1.4 1,-0.2 3,-0.4 0.941 110.8 47.8 -58.3 -47.7 59.1 -5.0 -4.3 54 67 A L H X S+ 0 0 1 -4,-2.9 4,-3.7 1,-0.2 3,-0.5 0.933 106.4 56.3 -59.9 -48.3 60.3 -7.4 -1.6 55 68 A N H < S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 103.5 55.8 -53.6 -33.1 63.3 -8.6 -3.7 56 69 A E H < S+ 0 0 166 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.908 115.4 36.8 -67.3 -41.6 64.4 -4.9 -3.8 57 70 A R H < S+ 0 0 133 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.896 140.7 6.4 -72.4 -44.8 64.4 -4.7 -0.0 58 71 A A S < S- 0 0 1 -4,-3.7 2,-0.7 -5,-0.2 -1,-0.3 -0.870 74.8-129.3-149.1 107.3 65.7 -8.2 0.5 59 72 A P + 0 0 60 0, 0.0 -34,-0.2 0, 0.0 -4,-0.1 -0.412 58.6 130.8 -57.3 101.0 66.8 -10.6 -2.3 60 73 A L + 0 0 1 -2,-0.7 2,-0.6 1,-0.2 -29,-0.2 0.669 52.1 55.9-126.1 -38.3 64.8 -13.7 -1.4 61 74 A I + 0 0 7 -3,-0.3 -1,-0.2 -10,-0.2 -29,-0.2 -0.906 50.9 178.7-108.4 118.8 63.0 -15.1 -4.4 62 75 A D S S+ 0 0 89 -31,-2.0 2,-0.4 -2,-0.6 -30,-0.2 0.822 71.0 30.3 -85.9 -35.7 65.1 -15.9 -7.5 63 76 A Q E -c 32 0A 4 -32,-1.7 -30,-3.1 2,-0.0 2,-0.6 -0.985 62.5-158.5-131.3 122.5 62.5 -17.3 -9.9 64 77 A I E -c 33 0A 15 -2,-0.4 21,-2.5 19,-0.2 2,-0.6 -0.907 19.3-171.5-101.7 119.0 58.9 -16.3 -10.0 65 78 A L E -cd 34 85A 0 -32,-2.9 -30,-3.7 -2,-0.6 2,-0.7 -0.892 13.1-172.0-124.1 101.4 57.0 -19.1 -11.7 66 79 A V E -cd 35 86A 0 19,-2.4 21,-2.3 -2,-0.6 2,-0.9 -0.829 6.1-165.5 -92.0 114.6 53.3 -18.7 -12.8 67 80 A V E -cd 36 87A 0 -32,-1.2 -30,-2.3 -2,-0.7 21,-0.2 -0.821 18.7-156.7-102.0 97.8 51.9 -22.1 -14.0 68 81 A D E -cd 37 88A 5 19,-2.6 21,-3.1 -2,-0.9 2,-0.3 -0.394 22.9-141.7 -84.1 147.3 48.7 -21.1 -15.8 69 82 A A - 0 0 16 -32,-2.3 3,-0.2 19,-0.2 -1,-0.1 -0.272 62.7 -90.5 -96.9 47.8 45.6 -23.3 -16.4 70 83 A D - 0 0 89 -2,-0.3 2,-0.1 1,-0.2 -32,-0.1 0.906 60.7-151.6 44.7 49.6 45.1 -21.8 -19.9 71 84 A S > - 0 0 13 -34,-0.2 3,-1.6 1,-0.2 5,-0.3 -0.279 16.9-148.2 -60.4 124.4 42.9 -19.3 -18.1 72 85 A E T 3 S+ 0 0 194 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.698 94.2 67.7 -63.1 -17.9 40.2 -17.9 -20.3 73 86 A D T 3 S- 0 0 65 1,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.433 117.9-104.6 -88.0 1.9 40.4 -14.6 -18.4 74 87 A G <> + 0 0 38 -3,-1.6 4,-1.8 3,-0.1 3,-0.5 0.671 68.9 148.1 87.9 19.3 43.9 -13.8 -19.7 75 88 A T H > + 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 68.5 57.1 -50.4 -46.9 45.8 -14.6 -16.6 76 89 A A H > S+ 0 0 33 -5,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.879 106.5 48.7 -58.5 -40.9 48.9 -15.8 -18.5 77 90 A G H > S+ 0 0 45 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.909 110.0 51.7 -63.6 -43.7 49.2 -12.4 -20.3 78 91 A V H X S+ 0 0 36 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.942 110.8 47.6 -58.6 -49.4 48.9 -10.5 -17.0 79 92 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.1 0.945 113.7 47.8 -58.4 -48.1 51.6 -12.6 -15.3 80 93 A A H ><5S+ 0 0 55 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.948 108.8 53.2 -58.5 -49.2 53.9 -12.2 -18.4 81 94 A S H 3<5S+ 0 0 94 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.634 107.6 53.4 -62.6 -14.7 53.3 -8.4 -18.5 82 95 A H T <<5S- 0 0 60 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.417 125.3 -96.5-102.1 -1.7 54.3 -8.1 -14.9 83 96 A G T < 5S+ 0 0 53 -3,-2.0 -3,-0.2 -4,-0.4 -19,-0.2 0.470 76.9 133.3 106.3 2.6 57.6 -9.9 -15.2 84 97 A A < - 0 0 12 -5,-2.0 2,-0.6 -6,-0.2 -1,-0.3 -0.452 61.7-111.1 -82.7 156.7 56.9 -13.5 -14.2 85 98 A E E -d 65 0A 57 -21,-2.5 -19,-2.4 -2,-0.1 2,-0.5 -0.790 40.9-159.3 -80.4 122.0 57.9 -16.7 -16.1 86 99 A V E +d 66 0A 42 -2,-0.6 2,-0.3 -21,-0.2 -19,-0.2 -0.899 18.0 169.5-112.5 133.0 54.7 -18.1 -17.4 87 100 A Y E -d 67 0A 63 -21,-2.3 -19,-2.6 -2,-0.5 2,-0.4 -0.962 33.0-119.3-131.3 153.8 54.1 -21.7 -18.5 88 101 A S E >> -d 68 0A 20 -2,-0.3 3,-1.4 -21,-0.2 4,-1.3 -0.768 17.9-133.5 -89.5 137.8 50.9 -23.5 -19.4 89 102 A E T 34 S+ 0 0 20 -21,-3.1 -20,-0.1 -2,-0.4 -1,-0.1 0.755 108.0 57.5 -58.7 -21.6 50.1 -26.5 -17.2 90 103 A N T 34 S+ 0 0 31 -22,-0.3 -1,-0.3 1,-0.2 7,-0.1 0.642 101.6 51.1 -87.5 -16.6 49.4 -28.3 -20.4 91 104 A E T X4 S+ 0 0 113 -3,-1.4 3,-0.9 2,-0.1 2,-0.3 0.691 93.4 86.4 -91.6 -22.4 52.8 -27.8 -22.0 92 105 A L T 3< S- 0 0 10 -4,-1.3 4,-0.2 1,-0.3 16,-0.1 -0.605 114.1 -7.5 -76.5 136.8 54.7 -29.1 -18.9 93 106 A M T > S+ 0 0 30 -2,-0.3 3,-2.3 15,-0.2 -1,-0.3 0.868 84.8 174.6 42.7 43.4 55.1 -32.9 -18.9 94 107 A S G X + 0 0 79 -3,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.617 63.2 78.8 -62.0 -13.9 52.8 -32.7 -22.0 95 108 A G G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.512 87.5 60.8 -67.5 -5.1 53.3 -36.4 -22.5 96 109 A Y G < S- 0 0 76 -3,-2.3 -1,-0.3 1,-0.4 -2,-0.2 0.396 109.9-123.6-102.4 0.7 50.8 -36.9 -19.7 97 110 A G < - 0 0 36 -3,-1.6 -1,-0.4 -7,-0.1 3,-0.1 -0.374 60.6 -15.0 88.6-170.1 48.0 -35.1 -21.6 98 111 A D S S- 0 0 119 1,-0.1 2,-0.2 -2,-0.1 -8,-0.1 -0.280 88.0 -89.6 -65.2 156.4 46.2 -32.0 -20.3 99 112 A A - 0 0 16 1,-0.1 2,-1.4 107,-0.0 -1,-0.1 -0.442 25.3-137.8 -73.9 134.3 46.6 -31.3 -16.6 100 113 A H > - 0 0 81 -2,-0.2 107,-2.2 1,-0.1 4,-0.9 -0.691 60.6 -71.6 -88.9 81.7 44.2 -32.9 -14.1 101 114 A G H >> S- 0 0 32 -2,-1.4 4,-1.8 105,-0.2 3,-0.5 0.089 83.0 -31.3 69.6-171.2 43.6 -29.9 -11.9 102 115 A K H 3> S+ 0 0 60 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.841 129.8 55.8 -56.7 -43.4 45.7 -28.1 -9.3 103 116 A G H 3> S+ 0 0 0 104,-1.1 4,-2.4 -3,-0.2 -1,-0.3 0.918 107.9 50.3 -56.3 -43.6 47.7 -31.1 -8.1 104 117 A D H < S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-0.5 0.959 113.4 49.6 -60.8 -50.6 53.7 -31.5 -9.9 108 121 A R H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.3 4,-0.3 0.787 98.3 69.5 -59.6 -29.9 54.4 -30.3 -13.5 109 122 A A H >X S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 4,-1.0 0.851 86.7 67.3 -57.5 -34.3 55.9 -27.0 -12.0 110 123 A L G X< S+ 0 0 7 -3,-1.3 3,-0.6 -4,-0.8 -1,-0.2 0.849 86.3 69.1 -55.6 -36.5 58.8 -29.0 -10.7 111 124 A S G <4 S+ 0 0 35 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.677 114.3 26.1 -59.4 -19.3 60.0 -29.7 -14.3 112 125 A V G <4 S+ 0 0 30 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.3 0.398 89.8 111.9-126.7 0.3 60.9 -26.0 -14.7 113 126 A T << - 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