==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-AUG-08 3E8M . COMPND 2 MOLECULE: ACYLNEURAMINATE CYTIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Z.LU,L.WANG,D.DUNAWAY-MARIANO,K.N.ALLEN . 656 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 4.9 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 . 4 0.6 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 . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.0 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 8 0 0 4 0 10 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 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 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 142 0, 0.0 3,-0.1 0, 0.0 150,-0.0 0.000 360.0 360.0 360.0 152.3 -60.1 24.9 -15.3 2 2 A K - 0 0 94 1,-0.1 2,-0.2 113,-0.1 95,-0.0 -0.247 360.0 -75.8 -65.1 161.5 -60.3 27.6 -12.6 3 3 A E - 0 0 127 2,-0.0 2,-0.5 1,-0.0 -1,-0.1 -0.407 50.7-169.3 -64.3 123.7 -59.1 31.1 -13.3 4 4 A I + 0 0 12 -2,-0.2 94,-0.2 -3,-0.1 3,-0.1 -0.984 18.1 170.6-118.9 126.4 -55.3 31.2 -13.2 5 5 A K + 0 0 81 92,-3.0 2,-0.3 -2,-0.5 93,-0.2 0.445 69.7 26.2-109.8 -7.1 -53.5 34.6 -13.3 6 6 A L E -a 98 0A 0 91,-1.1 93,-2.1 42,-0.2 2,-0.5 -0.951 60.3-152.0-159.5 134.3 -49.9 33.4 -12.6 7 7 A I E -ab 99 50A 0 42,-2.3 44,-2.5 -2,-0.3 2,-0.3 -0.963 18.8-171.8-109.8 124.7 -47.9 30.3 -13.1 8 8 A L E -ab 100 51A 0 91,-3.0 93,-1.5 -2,-0.5 2,-0.3 -0.879 5.3-177.5-115.7 150.7 -45.1 29.6 -10.7 9 9 A T E -ab 101 52A 0 42,-1.8 44,-2.3 -2,-0.3 93,-0.2 -0.996 24.2-136.4-151.6 141.5 -42.5 26.9 -11.0 10 10 A D - 0 0 6 91,-2.3 5,-0.3 -2,-0.3 44,-0.2 -0.386 19.9-147.0 -76.1 167.4 -39.5 25.4 -9.2 11 11 A I S >>>S+ 0 0 1 42,-0.3 3,-2.4 3,-0.2 4,-1.9 0.818 70.5 66.1-102.0 -72.5 -36.4 24.5 -11.3 12 12 A D T 345S+ 0 0 8 1,-0.3 91,-0.2 2,-0.2 -1,-0.1 -0.380 116.9 11.5 -69.2 127.3 -34.5 21.4 -10.1 13 13 A G T 345S+ 0 0 4 -2,-0.2 -1,-0.3 6,-0.1 126,-0.2 0.347 132.8 52.3 88.2 -5.8 -36.6 18.3 -10.5 14 14 A V T <45S+ 0 0 0 -3,-2.4 126,-2.3 125,-0.2 129,-0.5 0.604 120.7 24.3-117.4 -66.4 -39.2 20.1 -12.6 15 15 A W T <5S+ 0 0 2 -4,-1.9 18,-0.4 -5,-0.3 2,-0.3 0.552 138.3 30.6 -75.5 -9.9 -37.3 21.8 -15.5 16 16 A T S -G 349 0C 19 -18,-0.4 3,-1.8 316,-0.2 4,-0.4 -0.986 5.6-143.7-118.7 125.4 -35.4 20.6 -22.0 34 34 A T G >> S+ 0 0 22 314,-2.6 3,-1.7 -2,-0.5 4,-0.5 0.779 96.0 75.0 -57.1 -26.5 -36.4 22.8 -24.9 35 35 A S G >4 S+ 0 0 20 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.869 85.4 63.9 -52.5 -38.2 -39.9 21.4 -24.7 36 36 A D G X> S+ 0 0 2 -3,-1.8 3,-1.2 1,-0.3 4,-1.1 0.730 83.9 74.4 -64.6 -20.6 -40.5 23.5 -21.6 37 37 A S H <> S+ 0 0 43 -3,-1.7 4,-2.4 -4,-0.4 3,-0.3 0.859 88.2 62.8 -56.7 -31.5 -40.1 26.7 -23.7 38 38 A A H S+ 0 0 0 -3,-1.2 4,-2.2 -4,-0.4 -1,-0.2 0.920 107.4 43.7 -63.2 -41.0 -44.9 26.2 -21.5 40 40 A I H X S+ 0 0 6 -4,-1.1 4,-2.8 -3,-0.3 5,-0.3 0.932 112.1 55.2 -67.0 -44.1 -43.7 29.9 -21.6 41 41 A F H X S+ 0 0 89 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 111.5 42.1 -51.6 -52.3 -45.1 30.2 -25.1 42 42 A W H X S+ 0 0 4 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.898 113.0 52.4 -69.8 -39.0 -48.6 29.1 -24.1 43 43 A A H <>S+ 0 0 0 -4,-2.2 5,-2.8 -5,-0.2 3,-0.4 0.967 114.2 43.4 -56.7 -51.5 -48.7 31.1 -20.9 44 44 A H H ><5S+ 0 0 71 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.883 108.4 58.5 -64.7 -35.9 -47.7 34.2 -22.8 45 45 A N H 3<5S+ 0 0 76 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.868 110.4 44.1 -58.5 -34.9 -50.2 33.4 -25.6 46 46 A K T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.346 120.7-109.1 -94.4 7.1 -52.9 33.4 -23.0 47 47 A G T < 5S+ 0 0 62 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.752 73.4 137.0 75.5 26.3 -51.6 36.6 -21.3 48 48 A I < - 0 0 24 -5,-2.8 -1,-0.2 -6,-0.2 -42,-0.2 -0.905 47.1-135.2-111.5 128.0 -50.4 34.8 -18.2 49 49 A P - 0 0 31 0, 0.0 -42,-2.3 0, 0.0 2,-0.4 -0.441 13.7-145.6 -78.2 158.1 -47.1 35.6 -16.5 50 50 A V E -b 7 0A 0 -44,-0.2 22,-1.7 -2,-0.1 21,-0.8 -0.969 12.7-170.5-121.6 137.4 -44.6 33.0 -15.3 51 51 A G E -bc 8 72A 0 -44,-2.5 -42,-1.8 -2,-0.4 2,-0.4 -0.978 13.1-143.4-127.1 146.0 -42.3 33.1 -12.3 52 52 A I E -bc 9 73A 0 20,-2.4 22,-2.5 -2,-0.4 2,-0.4 -0.893 12.5-172.4-101.8 133.4 -39.5 30.9 -11.1 53 53 A L E + c 0 74A 0 -44,-2.3 2,-0.3 -2,-0.4 -42,-0.3 -0.996 16.8 162.5-120.7 125.2 -39.0 30.3 -7.4 54 54 A T - 0 0 1 20,-2.1 23,-2.6 -2,-0.4 22,-0.3 -0.999 40.8-149.7-144.7 142.1 -35.8 28.4 -6.5 55 55 A G S S+ 0 0 29 -2,-0.3 2,-0.1 21,-0.3 -1,-0.1 0.676 84.9 78.1 -76.3 -21.9 -33.8 27.8 -3.3 56 56 A E S S- 0 0 50 20,-0.1 20,-2.6 19,-0.1 21,-0.4 -0.366 70.2-150.8 -77.0 166.3 -30.6 27.5 -5.5 57 57 A K + 0 0 165 18,-0.2 2,-0.3 19,-0.1 3,-0.1 -0.879 30.6 147.8-144.7 111.0 -28.9 30.5 -6.9 58 58 A T > - 0 0 9 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.985 55.8-132.9-142.9 149.0 -27.0 30.1 -10.2 59 59 A E H > S+ 0 0 63 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.844 108.1 70.2 -63.7 -32.8 -26.0 32.0 -13.3 60 60 A I H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 105.7 36.3 -45.1 -55.9 -27.2 28.8 -15.1 61 61 A V H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.876 112.8 56.9 -74.0 -38.1 -30.8 29.6 -14.1 62 62 A R H X S+ 0 0 90 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.946 110.9 45.5 -56.4 -44.8 -30.5 33.4 -14.6 63 63 A R H X S+ 0 0 44 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.903 113.2 48.6 -66.1 -41.8 -29.4 32.8 -18.1 64 64 A R H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.925 111.1 50.3 -64.4 -43.2 -32.1 30.2 -18.9 65 65 A A H <>S+ 0 0 7 -4,-2.8 5,-2.4 1,-0.2 4,-0.3 0.893 110.8 51.0 -60.9 -41.2 -34.8 32.5 -17.5 66 66 A E H ><5S+ 0 0 122 -4,-2.1 3,-1.2 -5,-0.3 -2,-0.2 0.927 109.4 47.6 -66.0 -45.8 -33.6 35.4 -19.6 67 67 A K H 3<5S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.942 113.5 47.9 -62.1 -43.8 -33.5 33.6 -22.8 68 68 A L T 3<5S- 0 0 20 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.415 109.3-124.1 -75.2 0.9 -37.0 32.2 -22.2 69 69 A K T < 5 - 0 0 163 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.1 0.872 38.4-173.7 57.1 41.5 -38.3 35.7 -21.3 70 70 A V < - 0 0 22 -5,-2.4 -1,-0.2 -6,-0.1 -19,-0.1 -0.452 22.0-138.2 -66.5 137.2 -39.6 34.5 -17.9 71 71 A D S S+ 0 0 71 -21,-0.8 2,-0.4 1,-0.2 -20,-0.2 0.862 79.2 18.7 -71.1 -38.0 -41.5 37.3 -16.2 72 72 A Y E -c 51 0A 76 -22,-1.7 -20,-2.4 2,-0.0 2,-0.4 -0.996 59.9-173.0-138.4 140.8 -40.2 36.9 -12.7 73 73 A L E +c 52 0A 53 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.976 3.9 177.7-137.0 122.7 -37.2 35.1 -11.2 74 74 A F E +c 53 0A 83 -22,-2.5 -20,-2.1 -2,-0.4 3,-0.3 -0.983 10.7 178.4-125.1 115.3 -36.5 34.6 -7.5 75 75 A Q + 0 0 42 -2,-0.5 -18,-0.2 -22,-0.2 -20,-0.2 -0.725 61.4 34.8-110.0 165.2 -33.3 32.7 -6.5 76 76 A G S S+ 0 0 38 -20,-2.6 2,-0.4 -22,-0.3 -21,-0.3 0.802 78.8 174.5 61.7 29.3 -31.9 31.9 -3.1 77 77 A V - 0 0 23 -23,-2.6 -1,-0.2 -21,-0.4 3,-0.2 -0.530 21.3-174.7 -76.2 123.7 -35.5 31.6 -1.8 78 78 A V S S+ 0 0 147 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.805 79.8 26.1 -83.5 -33.8 -35.6 30.4 1.8 79 79 A D > - 0 0 75 1,-0.1 4,-2.5 2,-0.0 -1,-0.3 -0.906 63.8-169.5-138.6 100.9 -39.4 30.1 2.0 80 80 A K H > S+ 0 0 6 26,-0.5 4,-2.4 -2,-0.4 5,-0.2 0.852 87.7 55.2 -64.4 -36.2 -41.2 29.5 -1.3 81 81 A L H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.950 110.8 45.4 -61.4 -47.4 -44.7 30.1 0.2 82 82 A S H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.936 112.0 51.6 -59.8 -46.0 -43.6 33.5 1.5 83 83 A A H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.913 111.0 48.0 -58.6 -41.9 -41.9 34.4 -1.8 84 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.926 111.6 50.6 -63.8 -45.1 -45.1 33.5 -3.7 85 85 A E H X S+ 0 0 77 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.901 110.7 48.8 -57.7 -44.2 -47.2 35.5 -1.3 86 86 A E H X S+ 0 0 103 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.903 113.6 45.1 -68.9 -39.6 -45.0 38.6 -1.7 87 87 A L H X S+ 0 0 10 -4,-2.3 4,-1.8 -5,-0.2 3,-0.3 0.947 114.5 49.1 -65.1 -48.2 -45.0 38.4 -5.5 88 88 A C H X>S+ 0 0 3 -4,-2.8 5,-2.3 1,-0.2 4,-1.3 0.902 106.9 55.8 -59.5 -39.5 -48.7 37.9 -5.6 89 89 A N H <5S+ 0 0 111 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.879 107.0 49.8 -60.2 -38.9 -49.3 40.8 -3.3 90 90 A E H <5S+ 0 0 149 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.880 116.1 43.0 -64.5 -38.2 -47.4 43.1 -5.6 91 91 A L H <5S- 0 0 63 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.529 111.6-115.7 -87.4 -10.4 -49.5 41.8 -8.5 92 92 A G T <5 + 0 0 60 -4,-1.3 2,-0.3 -3,-0.3 -3,-0.2 0.655 67.2 142.9 85.0 17.4 -52.9 41.8 -6.8 93 93 A I < - 0 0 23 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.691 45.2-140.3-104.8 141.7 -53.2 38.0 -7.1 94 94 A N > - 0 0 101 -2,-0.3 3,-2.3 1,-0.1 -89,-0.2 -0.744 25.5-120.9 -90.6 147.0 -54.7 35.5 -4.7 95 95 A L G > S+ 0 0 26 -2,-0.3 20,-2.0 1,-0.3 3,-1.9 0.809 113.5 65.6 -60.4 -27.3 -52.9 32.1 -4.3 96 96 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 18,-0.3 18,-0.1 0.699 98.5 54.6 -65.6 -17.8 -56.1 30.4 -5.4 97 97 A Q G < S+ 0 0 34 -3,-2.3 -92,-3.0 -93,-0.1 -91,-1.1 0.192 96.7 91.9 -96.1 13.4 -55.5 32.1 -8.8 98 98 A V E < -a 6 0A 0 -3,-1.9 18,-1.8 -94,-0.2 17,-1.0 -0.881 58.9-157.3-111.4 140.0 -51.9 30.5 -8.9 99 99 A A E -ad 7 116A 0 -93,-2.1 -91,-3.0 -2,-0.4 2,-0.4 -0.982 20.9-175.9-107.5 125.8 -50.8 27.3 -10.5 100 100 A Y E -ad 8 117A 0 16,-2.3 18,-2.7 -2,-0.5 2,-0.4 -0.989 12.5-164.9-126.7 136.9 -47.5 26.1 -8.9 101 101 A I E +ad 9 118A 0 -93,-1.5 -91,-2.3 -2,-0.4 2,-0.3 -0.978 23.6 145.9-121.1 129.3 -45.4 23.1 -9.8 102 102 A G - 0 0 0 16,-1.8 21,-0.1 -2,-0.4 -89,-0.1 -0.923 32.8-151.8-152.1 173.1 -42.7 21.7 -7.5 103 103 A D + 0 0 14 -2,-0.3 2,-0.2 -91,-0.2 24,-0.2 0.474 60.7 41.2-132.7 -5.1 -41.1 18.4 -6.6 104 104 A D S >> S- 0 0 19 19,-0.1 3,-2.3 23,-0.1 4,-0.6 -0.741 89.9 -69.8-147.0-175.5 -39.7 18.2 -3.1 105 105 A L G >4 S+ 0 0 28 1,-0.3 3,-1.2 -2,-0.2 4,-0.4 0.843 121.5 54.4 -50.3 -44.0 -39.9 19.0 0.6 106 106 A N G 34 S+ 0 0 98 1,-0.3 -26,-0.5 2,-0.1 -1,-0.3 0.527 106.5 54.7 -77.0 -0.0 -39.4 22.7 0.3 107 107 A D G <> S+ 0 0 0 -3,-2.3 4,-2.7 2,-0.1 -1,-0.3 0.559 84.9 85.8 -95.9 -17.5 -42.3 22.9 -2.2 108 108 A A H > S+ 0 0 1 -4,-0.2 3,-2.0 1,-0.2 4,-1.0 0.915 109.9 57.4 -70.0 -43.1 -46.8 26.3 -1.3 111 111 A L H 3< S+ 0 0 4 -4,-2.7 3,-0.5 1,-0.3 -2,-0.2 0.871 103.9 54.9 -54.0 -37.9 -48.3 23.3 -3.1 112 112 A K T 3< S+ 0 0 127 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.576 111.0 44.7 -72.8 -8.2 -50.9 23.0 -0.4 113 113 A R T <4 S+ 0 0 143 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.513 92.1 92.3-115.7 -9.3 -52.0 26.6 -0.7 114 114 A V S < S- 0 0 13 -4,-1.0 -18,-0.3 -3,-0.5 3,-0.2 -0.423 77.7-118.2 -90.2 164.5 -52.3 27.2 -4.5 115 115 A G S S+ 0 0 4 -20,-2.0 2,-0.4 -17,-1.0 -16,-0.2 0.878 104.5 20.3 -68.1 -39.2 -55.3 26.9 -6.8 116 116 A I E S-d 99 0A 6 -18,-1.8 -16,-2.3 2,-0.0 2,-0.5 -0.969 73.8-165.3-134.1 119.2 -53.7 24.2 -8.9 117 117 A A E -d 100 0A 0 -2,-0.4 15,-2.6 -3,-0.2 16,-1.0 -0.895 6.5-170.3-102.1 129.9 -50.8 22.2 -7.6 118 118 A G E +d 101 0A 0 -18,-2.7 -16,-1.8 -2,-0.5 16,-0.1 -0.958 7.1 179.9-119.9 143.6 -48.6 20.1 -9.9 119 119 A V - 0 0 5 14,-0.4 16,-0.4 -2,-0.4 -16,-0.2 -0.995 30.0-115.1-139.1 130.7 -46.0 17.6 -9.1 120 120 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 18,-0.2 -0.235 25.5-115.9 -63.6 157.4 -43.9 15.6 -11.6 121 121 A A T 3 S+ 0 0 31 16,-2.5 17,-0.2 1,-0.3 16,-0.1 0.720 114.1 59.8 -64.7 -22.0 -44.2 11.8 -11.8 122 122 A S T 3 S+ 0 0 35 15,-0.3 -1,-0.3 -109,-0.2 16,-0.1 0.484 84.1 104.5 -81.5 -9.1 -40.6 11.5 -10.7 123 123 A A S < S- 0 0 3 -3,-1.8 -19,-0.1 1,-0.2 5,-0.1 -0.256 84.3 -80.1 -76.0 162.7 -41.1 13.3 -7.4 124 124 A P >> - 0 0 22 0, 0.0 4,-2.6 0, 0.0 3,-1.3 -0.272 40.9-113.8 -59.1 148.0 -41.3 11.6 -4.0 125 125 A F H 3> S+ 0 0 115 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.852 113.6 57.8 -48.9 -46.0 -44.5 10.0 -3.0 126 126 A Y H 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.772 113.2 40.8 -62.9 -27.3 -45.2 12.4 -0.2 127 127 A I H X4 S+ 0 0 0 -3,-1.3 3,-2.1 -24,-0.2 4,-0.5 0.867 108.5 58.8 -85.0 -42.3 -45.1 15.3 -2.6 128 128 A R H >< S+ 0 0 105 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.853 96.9 62.1 -55.3 -37.0 -46.9 13.7 -5.5 129 129 A R T 3< S+ 0 0 141 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.678 96.0 61.7 -69.6 -9.2 -50.0 13.1 -3.3 130 130 A L T < S+ 0 0 23 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.626 79.2 107.9 -83.0 -16.5 -50.2 16.9 -3.0 131 131 A S < - 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