==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-05 1YP4 . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE ADENYLYLTRANSFERASE SMALL . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM TUBEROSUM; . AUTHOR X.JIN,M.A.BALLICORA,J.PREISS,J.H.GEIGER . 1725 10 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1233 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 294 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 192 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 174 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 47 2.7 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 *** . 1 0 0 12 2 3 9 4 9 9 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 27 11 1 8 6 6 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 . 6 10 3 7 6 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 1 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 11 A T 0 0 122 0, 0.0 2,-0.3 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0-125.9 29.7 -22.5 50.7 2 12 A C - 0 0 46 134,-0.0 2,-0.3 137,-0.0 4,-0.0 -0.947 360.0-131.5-127.3 145.2 28.9 -21.6 54.3 3 13 A L - 0 0 8 -2,-0.3 3,-0.1 868,-0.0 136,-0.0 -0.712 21.2-141.2 -93.0 141.3 30.8 -21.9 57.6 4 14 A D S S+ 0 0 136 1,-0.4 2,-0.2 -2,-0.3 -2,-0.0 -0.856 95.8 27.6-152.7 112.7 29.3 -23.5 60.7 5 15 A P S S- 0 0 40 0, 0.0 -1,-0.4 0, 0.0 114,-0.1 0.493 114.6-117.9 -63.9 152.1 29.8 -22.2 63.3 6 16 A D >> - 0 0 47 -2,-0.2 4,-2.2 -3,-0.1 3,-1.4 -0.265 15.6-111.8 -67.0 151.9 30.3 -18.9 61.4 7 17 A A H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 51,-0.2 0.722 111.2 69.8 -51.1 -30.1 33.6 -17.0 61.4 8 18 A S H 34 S+ 0 0 31 1,-0.2 -1,-0.3 2,-0.2 51,-0.2 0.888 115.5 21.7 -59.7 -41.8 32.1 -14.2 63.5 9 19 A R H <4 S+ 0 0 137 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.687 130.6 42.3-100.0 -23.3 31.8 -16.4 66.6 10 20 A S H < S+ 0 0 4 -4,-2.2 109,-3.0 108,-0.2 110,-1.7 0.399 101.2 68.8-109.2 3.7 34.4 -19.2 65.9 11 21 A V E < -a 120 0A 1 -4,-1.5 2,-0.5 -5,-0.2 48,-0.4 -0.949 54.3-161.0-126.9 144.5 37.4 -17.3 64.4 12 22 A L E -a 121 0A 0 108,-1.9 110,-3.2 -2,-0.4 2,-0.4 -0.979 14.8-147.1-122.7 118.9 39.9 -14.9 65.9 13 23 A G E -ab 122 60A 0 46,-2.6 48,-2.2 -2,-0.5 2,-0.5 -0.742 14.1-172.5 -87.9 132.1 41.8 -12.7 63.6 14 24 A I E -ab 123 61A 0 108,-3.0 110,-2.2 -2,-0.4 2,-0.4 -0.955 6.7-159.9-127.3 109.8 45.4 -11.9 64.7 15 25 A I E -ab 124 62A 0 46,-3.2 48,-3.1 -2,-0.5 2,-1.5 -0.755 14.8-144.8 -95.1 132.4 47.2 -9.3 62.7 16 26 A L E +ab 125 63A 29 108,-3.5 110,-1.6 -2,-0.4 48,-0.1 -0.669 25.2 179.6 -93.9 80.2 51.0 -9.1 62.8 17 27 A G E - 0 0 0 46,-1.7 2,-0.2 -2,-1.5 47,-0.2 0.674 45.9 -76.2 -56.1 -27.4 51.1 -5.3 62.4 18 28 A G E - b 0 64A 22 45,-0.6 47,-2.2 -3,-0.1 -1,-0.2 -0.689 29.7-118.7 144.0 161.4 54.9 -4.9 62.5 19 29 A G S S- 0 0 27 -2,-0.2 47,-0.5 45,-0.2 14,-0.4 0.301 83.3 -31.9 -99.8-128.3 58.0 -4.8 64.7 20 30 A A S S- 0 0 16 80,-0.1 79,-0.0 45,-0.1 8,-0.0 0.534 81.7-121.6 -73.0 -5.3 60.3 -1.9 65.0 21 31 A G + 0 0 5 1,-0.1 3,-0.5 74,-0.1 7,-0.3 0.823 58.7 153.6 68.7 33.8 59.4 -1.0 61.4 22 32 A T + 0 0 117 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.770 66.3 54.8 -64.9 -26.8 63.0 -1.1 60.3 23 33 A R S S+ 0 0 156 1,-0.2 243,-0.8 242,-0.1 -1,-0.2 0.761 110.5 40.5 -80.6 -28.2 62.0 -2.0 56.7 24 34 A L S > S+ 0 0 0 -3,-0.5 3,-2.4 241,-0.2 4,-0.4 0.163 93.5 177.5-107.0 19.0 59.7 0.9 56.0 25 35 A Y T 3 + 0 0 61 -3,-0.4 241,-0.2 1,-0.3 -3,-0.0 -0.415 59.4 20.9 -65.5 141.9 61.8 3.6 57.7 26 36 A P T > S+ 0 0 4 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.909 114.6 67.3 -92.6 18.9 61.4 6.5 57.9 27 37 A L T < S+ 0 0 0 -3,-2.4 -2,-0.2 1,-0.3 -6,-0.0 0.730 109.5 46.9 -66.8 -15.6 57.6 6.1 57.2 28 38 A T T > S+ 0 0 0 -4,-0.4 3,-2.4 -7,-0.3 2,-0.6 0.320 74.4 136.4-106.6 5.9 57.7 4.4 60.5 29 39 A K T < S- 0 0 53 -3,-1.6 394,-0.1 1,-0.3 3,-0.1 -0.408 97.9 -20.1 -58.9 107.1 59.8 7.0 62.4 30 40 A K T 3 S+ 0 0 108 -2,-0.6 2,-0.4 1,-0.1 -1,-0.3 0.790 122.9 106.2 60.1 29.8 57.8 7.1 65.7 31 41 A R S < S- 0 0 9 -3,-2.4 -1,-0.1 37,-0.1 37,-0.1 -0.934 75.5-122.9-141.9 114.8 54.8 5.6 63.9 32 42 A A > - 0 0 0 -2,-0.4 3,-2.0 35,-0.2 4,-0.4 -0.264 31.9-114.7 -54.2 141.1 53.7 2.0 64.4 33 43 A K G > S+ 0 0 10 -14,-0.4 3,-1.6 1,-0.3 11,-0.3 0.823 111.9 62.2 -50.3 -40.8 53.8 0.3 61.0 34 44 A P G 3 S+ 0 0 0 0, 0.0 11,-2.3 0, 0.0 -1,-0.3 0.732 100.3 56.4 -60.8 -21.0 50.0 -0.3 60.9 35 45 A A G < S+ 0 0 0 -3,-2.0 -2,-0.2 9,-0.2 -3,-0.1 0.571 73.8 126.9 -89.0 -7.8 49.4 3.4 60.9 36 46 A V < - 0 0 0 -3,-1.6 8,-2.5 -4,-0.4 9,-0.1 -0.277 68.0-110.2 -55.6 127.5 51.5 4.2 57.8 37 47 A P E -J 43 0B 8 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.307 41.2-173.6 -60.4 136.5 49.4 6.2 55.3 38 48 A L E > -J 42 0B 4 4,-2.9 4,-2.6 1,-0.1 3,-0.3 -0.987 51.3 -5.2-139.6 145.1 48.4 4.4 52.1 39 49 A G T 4 S- 0 0 0 -2,-0.3 2,-2.0 1,-0.2 -1,-0.1 0.794 109.8 -75.6 44.7 41.2 46.7 5.2 48.8 40 50 A A T 4 S+ 0 0 9 1,-0.2 293,-2.1 290,-0.1 -1,-0.2 -0.201 130.8 38.2 72.6 -47.8 45.9 8.8 49.7 41 51 A N T 4 S+ 0 0 7 -2,-2.0 255,-0.2 -3,-0.3 -1,-0.2 0.399 107.7 58.3-117.3 4.2 43.0 8.1 52.0 42 52 A Y E < -J 38 0B 7 -4,-2.6 -4,-2.9 253,-0.1 2,-0.3 -0.557 61.9-130.9-124.2-171.7 43.9 4.9 54.0 43 53 A R E > -J 37 0B 15 -6,-0.3 3,-2.0 -2,-0.2 4,-0.5 -0.950 35.8-106.9-136.8 153.2 46.5 3.3 56.3 44 54 A L T > S+ 0 0 4 -8,-2.5 3,-2.2 -2,-0.3 -9,-0.2 0.886 116.2 61.7 -46.4 -50.1 48.2 -0.1 56.0 45 55 A I T 3> S+ 0 0 2 -11,-2.3 4,-1.9 1,-0.3 -1,-0.3 0.717 88.7 72.3 -52.6 -25.4 46.1 -1.6 58.8 46 56 A D H <> S+ 0 0 0 -3,-2.0 4,-1.9 -12,-0.3 248,-0.4 0.837 89.3 63.2 -63.4 -29.9 43.0 -0.9 56.8 47 57 A I H <> S+ 0 0 2 -3,-2.2 4,-2.4 -4,-0.5 5,-0.2 0.989 110.2 31.3 -60.6 -64.7 43.9 -3.8 54.4 48 58 A P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.869 119.6 53.7 -65.4 -32.4 43.9 -6.8 56.8 49 59 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.862 111.0 47.1 -67.9 -33.6 41.1 -5.3 59.0 50 60 A S H X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.3 5,-0.3 0.941 108.8 53.3 -72.2 -47.0 38.9 -4.8 55.9 51 61 A N H X S+ 0 0 1 -4,-2.4 4,-0.6 -5,-0.3 83,-0.4 0.911 112.0 46.8 -54.5 -41.8 39.6 -8.3 54.6 52 62 A C H ><>S+ 0 0 0 -4,-2.0 5,-3.3 2,-0.2 3,-0.6 0.936 113.3 48.2 -63.9 -47.8 38.5 -9.7 58.0 53 63 A L H ><5S+ 0 0 62 -4,-2.1 3,-1.2 1,-0.3 -2,-0.2 0.881 112.3 47.2 -60.7 -41.7 35.4 -7.5 58.1 54 64 A N H 3<5S+ 0 0 37 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.620 110.1 57.0 -75.8 -11.2 34.4 -8.4 54.6 55 65 A S T <<5S- 0 0 0 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.152 120.8-107.4-103.2 15.3 35.0 -12.1 55.6 56 66 A N T < 5S+ 0 0 67 -3,-1.2 2,-0.7 1,-0.2 -3,-0.2 0.745 77.5 136.1 65.6 23.4 32.6 -12.0 58.5 57 67 A I < + 0 0 1 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.909 19.0 163.7-104.8 108.7 35.5 -12.0 61.0 58 68 A S + 0 0 29 -2,-0.7 25,-2.7 -47,-0.2 2,-0.8 0.625 50.9 79.8-101.4 -17.8 34.7 -9.4 63.7 59 69 A K E + c 0 83A 43 -48,-0.4 -46,-2.6 23,-0.3 2,-0.4 -0.841 63.1 169.2 -95.2 109.7 37.1 -10.2 66.6 60 70 A I E -bc 13 84A 0 23,-2.9 25,-2.4 -2,-0.8 2,-0.4 -0.976 22.3-169.9-130.4 134.1 40.4 -8.7 65.6 61 71 A Y E -bc 14 85A 1 -48,-2.2 -46,-3.2 -2,-0.4 2,-0.6 -0.958 11.0-154.3-117.7 137.3 43.7 -8.1 67.5 62 72 A V E -bc 15 86A 0 23,-3.5 25,-3.1 -2,-0.4 2,-0.4 -0.947 9.6-158.3-115.4 110.6 46.5 -6.1 66.0 63 73 A L E +bc 16 87A 6 -48,-3.1 -46,-1.7 -2,-0.6 -45,-0.6 -0.754 20.2 163.3 -89.8 132.6 49.9 -7.0 67.4 64 74 A T E -bc 18 88A 4 23,-1.6 25,-1.5 -2,-0.4 26,-0.4 -0.959 41.0-134.0-152.3 127.6 52.6 -4.3 67.1 65 75 A Q E S+ 0 0 6 -47,-2.2 25,-1.8 -2,-0.3 2,-0.3 0.882 96.2 22.6 -49.7 -46.6 56.0 -4.1 68.9 66 76 A F E S- c 0 90A 0 -47,-0.5 25,-0.2 23,-0.2 2,-0.1 -0.847 83.1-126.9-120.9 161.9 55.4 -0.4 69.6 67 77 A N - 0 0 5 25,-1.2 2,-0.3 23,-1.0 -35,-0.2 -0.409 15.9-157.1 -98.6 178.3 52.2 1.6 69.9 68 78 A S > - 0 0 5 -37,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.951 21.9-137.9-159.0 136.2 51.1 4.8 68.2 69 79 A A H > S+ 0 0 15 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.911 107.4 50.9 -62.5 -43.0 48.5 7.6 69.0 70 80 A S H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.863 107.5 53.7 -64.7 -33.8 47.3 7.8 65.3 71 81 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.946 111.0 46.3 -64.0 -47.6 46.8 4.0 65.1 72 82 A N H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.890 114.0 46.6 -63.2 -40.1 44.6 4.1 68.2 73 83 A R H X S+ 0 0 86 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.953 113.7 50.0 -67.5 -44.1 42.6 7.0 67.0 74 84 A H H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.924 115.5 40.4 -58.4 -50.7 42.2 5.5 63.6 75 85 A L H X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.903 116.6 52.3 -65.4 -41.2 41.1 2.1 64.9 76 86 A S H < S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.971 119.4 32.4 -58.0 -57.9 38.9 3.7 67.5 77 87 A R H < S+ 0 0 127 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.812 122.6 45.7 -72.7 -33.2 37.1 6.0 65.1 78 88 A A H < S- 0 0 15 -4,-2.8 217,-0.2 -5,-0.3 -3,-0.2 0.758 128.3 -11.7 -84.2 -26.5 37.0 3.8 62.0 79 89 A Y < 0 0 40 -4,-2.0 -4,-0.0 -5,-0.3 -3,-0.0 -0.136 360.0 360.0-137.3-125.7 35.9 0.6 63.6 80 90 A A 0 0 87 -2,-0.1 -4,-0.2 0, 0.0 -3,-0.1 0.656 360.0 360.0 -14.2 360.0 35.5 -0.9 67.1 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 100 A G 0 0 70 0, 0.0 2,-0.3 0, 0.0 -23,-0.3 0.000 360.0 360.0 360.0-153.3 33.1 -7.7 67.8 83 101 A F E -c 59 0A 25 -25,-2.7 -23,-2.9 2,-0.0 2,-0.4 -0.965 360.0-141.2-175.6 159.9 36.3 -5.5 68.2 84 102 A V E +c 60 0A 11 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.939 35.9 174.1-133.7 107.4 39.6 -4.3 66.8 85 103 A E E -c 61 0A 30 -25,-2.4 -23,-3.5 -2,-0.4 2,-0.4 -0.955 29.6-130.7-127.9 140.0 42.3 -3.9 69.4 86 104 A V E -c 62 0A 25 -2,-0.4 2,-0.7 -25,-0.2 -23,-0.2 -0.666 14.5-167.6 -84.9 128.3 46.0 -3.1 69.6 87 105 A L E -c 63 0A 1 -25,-3.1 -23,-1.6 -2,-0.4 2,-0.3 -0.921 18.1-167.3-117.2 98.4 48.2 -5.5 71.6 88 106 A A E -c 64 0A 0 -2,-0.7 -23,-0.2 -25,-0.2 3,-0.2 -0.622 26.4-155.5 -91.5 147.6 51.5 -3.7 71.9 89 107 A A E S+ 0 0 11 -25,-1.5 2,-0.4 1,-0.3 -23,-0.2 0.784 92.3 27.4 -86.4 -32.3 54.7 -5.2 73.1 90 108 A Q E S-c 66 0A 44 -25,-1.8 2,-1.8 -26,-0.4 -23,-1.0 -0.987 74.2-143.3-134.7 121.1 56.0 -1.8 74.2 91 109 A Q S S+ 0 0 23 -2,-0.4 -25,-0.1 -3,-0.2 -26,-0.0 -0.474 70.1 90.7 -85.9 69.7 53.7 1.1 75.2 92 110 A S S S- 0 0 33 -2,-1.8 -25,-1.2 2,-0.2 -2,-0.1 -0.969 73.8-132.0-156.9 145.5 55.6 3.9 73.7 93 111 A P S S+ 0 0 28 0, 0.0 2,-0.2 0, 0.0 -27,-0.1 0.540 76.6 107.2 -78.8 -5.8 55.6 5.6 70.3 94 112 A E S S- 0 0 98 1,-0.1 -2,-0.2 -64,-0.1 -27,-0.1 -0.462 83.8-103.7 -75.9 143.9 59.3 5.4 70.1 95 113 A N - 0 0 31 -2,-0.2 -1,-0.1 1,-0.1 -75,-0.1 -0.527 40.1-122.3 -67.8 118.6 60.9 2.9 67.7 96 114 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -30,-0.1 -0.365 15.1-158.3 -62.1 138.6 62.2 -0.0 69.8 97 115 A D S S+ 0 0 169 2,-0.1 2,-0.3 -2,-0.0 -2,-0.1 0.446 71.5 82.6 -95.0 -2.3 65.9 -0.6 69.4 98 116 A W S S- 0 0 118 1,-0.0 2,-0.3 2,-0.0 -78,-0.1 -0.772 81.7-113.8-104.1 150.4 65.4 -4.2 70.7 99 117 A F + 0 0 146 -2,-0.3 2,-0.3 -80,-0.1 -2,-0.1 -0.599 29.9 172.6 -89.3 139.6 64.3 -7.2 68.6 100 118 A Q - 0 0 31 -2,-0.3 -80,-0.1 4,-0.0 2,-0.1 -0.972 19.7-146.9-141.8 122.3 61.1 -9.2 68.9 101 119 A G > - 0 0 5 -2,-0.3 4,-2.5 1,-0.1 134,-0.2 -0.424 28.8-106.5 -85.7 166.6 60.1 -11.9 66.4 102 120 A T H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 133,-0.2 0.832 120.3 53.5 -61.6 -35.6 56.5 -12.8 65.4 103 121 A A H > S+ 0 0 0 131,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.925 110.5 48.3 -65.5 -42.0 56.5 -16.0 67.4 104 122 A D H > S+ 0 0 42 130,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.934 109.7 53.2 -60.0 -48.4 57.6 -14.0 70.5 105 123 A A H X S+ 0 0 12 -4,-2.5 4,-0.9 129,-0.3 -2,-0.2 0.932 114.6 39.6 -52.8 -52.8 54.8 -11.4 69.8 106 124 A V H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.895 112.3 58.2 -67.1 -38.6 52.1 -14.0 69.6 107 125 A R H >< S+ 0 0 52 -4,-2.7 3,-1.5 1,-0.2 4,-0.4 0.934 99.8 57.0 -56.4 -49.9 53.6 -16.0 72.5 108 126 A Q H 3< S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.3 3,-0.2 0.804 116.0 35.3 -53.1 -35.3 53.4 -13.1 74.9 109 127 A Y H >X S+ 0 0 3 -4,-0.9 4,-1.9 -3,-0.5 3,-1.7 0.354 81.8 106.5-104.8 7.8 49.6 -12.7 74.4 110 128 A L H < S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.809 103.6 65.9 -64.0 -28.3 43.7 -15.2 72.8 114 132 A E T 3< S+ 0 0 52 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.730 89.3 65.3 -64.9 -22.9 43.1 -18.3 75.0 115 133 A E T < S+ 0 0 89 -3,-1.3 2,-0.5 -4,-0.3 -1,-0.2 0.635 85.9 87.1 -74.7 -15.8 40.2 -16.5 76.7 116 134 A H S < S- 0 0 17 -3,-1.3 2,-1.7 -4,-0.3 -104,-0.1 -0.752 79.2-133.6 -90.6 127.1 38.2 -16.4 73.5 117 135 A T + 0 0 126 -2,-0.5 2,-0.2 -106,-0.1 -3,-0.1 -0.583 56.2 133.3 -80.7 84.7 36.0 -19.3 72.7 118 136 A V - 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