==== 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 16-MAR-04 1VJO . COMPND 2 MOLECULE: ALANINE--GLYOXYLATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 377 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 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 . 1 0.3 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 . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 0 0 1 3 0 0 1 3 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 5 A I 0 0 228 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 110.6 70.4 45.8 39.3 2 6 A S - 0 0 108 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.575 360.0 -96.3 -86.3 155.0 69.4 42.4 40.6 3 7 A I - 0 0 159 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.555 30.3-138.5 -74.7 129.6 65.9 41.0 40.0 4 8 A N - 0 0 117 -2,-0.3 3,-0.3 1,-0.1 -1,-0.1 -0.802 20.6-179.6 -86.8 116.9 63.3 41.6 42.7 5 9 A D > + 0 0 98 -2,-0.6 3,-1.4 1,-0.2 -1,-0.1 0.192 47.0 113.3-103.7 19.3 61.2 38.4 43.2 6 10 A N T 3 S+ 0 0 135 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.816 87.2 35.4 -61.3 -34.1 59.0 39.8 46.0 7 11 A Q T 3 S+ 0 0 179 -3,-0.3 2,-1.9 2,-0.1 -1,-0.3 0.181 82.9 121.3-105.2 15.9 55.8 39.7 43.8 8 12 A R < - 0 0 193 -3,-1.4 -3,-0.1 2,-0.0 -1,-0.1 -0.568 53.7-159.8 -74.2 80.2 56.9 36.5 41.9 9 13 A L - 0 0 124 -2,-1.9 2,-0.8 1,-0.1 -2,-0.1 -0.291 15.6-136.9 -66.2 144.9 53.8 34.5 42.9 10 14 A Q - 0 0 198 -2,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.880 38.2-179.8-102.6 98.8 54.0 30.7 42.8 11 15 A L - 0 0 132 -2,-0.8 3,-0.1 3,-0.0 0, 0.0 -0.668 25.6-137.1-106.8 156.3 50.6 29.9 41.2 12 16 A E - 0 0 171 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.691 51.3 -70.0 -98.4 161.7 48.8 26.7 40.2 13 17 A P S S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.196 72.0 -75.2 -53.7 141.5 46.9 26.4 36.9 14 18 A L + 0 0 149 -3,-0.1 2,-0.3 1,-0.0 -3,-0.0 -0.004 53.2 174.6 -37.2 127.1 43.7 28.5 36.7 15 19 A E + 0 0 173 -3,-0.1 -3,-0.0 2,-0.0 -1,-0.0 -0.957 4.1 175.6-136.4 126.2 40.7 27.1 38.6 16 20 A V - 0 0 104 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.944 31.6-106.0-130.0 151.2 37.4 29.1 38.8 17 21 A P - 0 0 82 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.292 37.0-109.8 -67.1 154.6 34.0 28.4 40.3 18 22 A S - 0 0 103 2,-0.0 2,-0.4 319,-0.0 0, 0.0 -0.742 40.7-176.5 -84.5 139.0 31.0 27.7 38.0 19 23 A R - 0 0 62 -2,-0.4 2,-0.8 318,-0.0 318,-0.2 -1.000 29.4-142.1-139.4 131.4 28.5 30.4 37.9 20 24 A L E -a 337 0A 11 316,-2.9 318,-2.9 -2,-0.4 2,-1.2 -0.889 29.8-146.1 -88.6 112.8 25.1 30.8 36.3 21 25 A L E +a 338 0A 30 -2,-0.8 7,-0.4 316,-0.2 318,-0.1 -0.664 40.0 150.8 -92.2 92.3 25.3 34.4 35.3 22 26 A L + 0 0 0 316,-1.9 332,-2.0 -2,-1.2 318,-0.5 -0.171 43.1 102.2-114.8 33.9 21.8 35.9 35.5 23 27 A G S S- 0 0 0 3,-0.4 330,-0.1 316,-0.3 316,-0.1 -0.274 97.7 -71.3-100.2-167.3 22.9 39.4 36.3 24 28 A P S S+ 0 0 29 0, 0.0 3,-0.1 0, 0.0 329,-0.1 0.682 104.9 10.7 -58.4 -19.1 23.1 42.6 34.2 25 29 A G S S+ 0 0 25 1,-0.4 2,-0.2 329,-0.1 180,-0.1 -0.659 90.0 45.8 147.2 155.5 26.2 41.0 32.4 26 30 A P - 0 0 51 0, 0.0 -3,-0.4 0, 0.0 -1,-0.4 0.650 61.3-157.9 -79.0 166.0 28.3 39.3 31.4 27 31 A S - 0 0 7 177,-2.5 2,-0.4 182,-0.3 -5,-0.1 -0.572 35.6 -82.5 -94.9 169.7 26.2 36.3 30.5 28 32 A N - 0 0 43 -7,-0.4 330,-0.4 -2,-0.2 331,-0.3 -0.609 50.4-128.3 -71.4 123.1 27.6 32.7 30.1 29 33 A A - 0 0 14 -2,-0.4 180,-0.2 1,-0.1 179,-0.1 -0.507 30.2 -95.2 -69.7 153.6 29.1 32.5 26.6 30 34 A H >> - 0 0 58 178,-2.1 4,-1.8 -2,-0.1 3,-1.2 -0.442 33.6-119.2 -66.2 136.0 27.9 29.6 24.4 31 35 A P H 3> S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.803 112.7 53.0 -43.9 -39.8 30.4 26.5 24.6 32 36 A S H 3> S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 236,-0.1 0.803 107.9 52.4 -70.7 -28.1 31.2 26.6 20.8 33 37 A V H <> S+ 0 0 0 -3,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.891 109.7 47.7 -71.7 -42.6 32.1 30.3 21.2 34 38 A L H >X S+ 0 0 87 -4,-1.8 3,-1.1 1,-0.2 4,-0.7 0.919 110.2 52.9 -63.1 -42.3 34.5 29.6 24.0 35 39 A Q H >< S+ 0 0 122 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.885 100.6 62.4 -61.3 -35.7 36.0 26.7 22.0 36 40 A A H 3< S+ 0 0 12 -4,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.715 95.4 60.2 -65.0 -21.1 36.6 29.1 19.1 37 41 A X H << S+ 0 0 51 -3,-1.1 2,-1.5 -4,-0.7 -1,-0.3 0.794 91.4 70.9 -73.7 -25.6 39.0 31.2 21.3 38 42 A N S << S+ 0 0 130 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 -0.456 77.1 105.0 -91.3 57.5 41.2 28.1 21.8 39 43 A V S S- 0 0 76 -2,-1.5 224,-0.1 -3,-0.2 -3,-0.0 -0.985 82.2 -95.6-137.3 140.0 42.5 28.2 18.2 40 44 A S - 0 0 97 -2,-0.3 -2,-0.0 1,-0.1 2,-0.0 -0.318 46.1-115.0 -62.2 140.7 45.9 29.4 17.1 41 45 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.284 23.3-159.7 -70.9 155.7 46.0 33.1 16.0 42 46 A V - 0 0 56 1,-0.1 217,-0.1 4,-0.1 0, 0.0 -0.809 42.7 -70.8-120.1 174.6 46.8 34.4 12.6 43 47 A G > - 0 0 37 -2,-0.3 3,-1.6 1,-0.1 6,-0.3 -0.274 35.5-121.8 -68.5 150.6 48.0 38.0 11.8 44 48 A H T 3 S+ 0 0 40 1,-0.3 -1,-0.1 5,-0.1 211,-0.1 0.639 117.0 38.8 -65.6 -15.5 45.6 40.9 12.2 45 49 A L T 3 S+ 0 0 63 4,-0.1 -1,-0.3 212,-0.0 -2,-0.1 0.202 84.6 125.0-117.4 14.9 46.3 41.7 8.4 46 50 A D S X> S- 0 0 67 -3,-1.6 4,-2.6 1,-0.1 3,-1.0 -0.558 71.0-123.3 -69.9 132.2 46.4 38.1 7.2 47 51 A P H 3> S+ 0 0 101 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.804 112.8 57.2 -48.5 -30.5 43.8 37.7 4.3 48 52 A A H 3> S+ 0 0 59 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.863 109.0 43.9 -69.1 -40.1 42.2 34.9 6.3 49 53 A F H <> S+ 0 0 2 -3,-1.0 4,-2.2 -6,-0.3 -1,-0.2 0.888 111.9 52.8 -68.2 -42.8 41.6 37.2 9.2 50 54 A L H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.881 107.9 52.9 -57.8 -39.3 40.5 40.0 6.9 51 55 A A H X S+ 0 0 46 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.880 107.8 51.4 -58.9 -41.4 38.0 37.5 5.5 52 56 A L H X S+ 0 0 22 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.898 108.3 50.7 -64.1 -38.1 36.8 36.8 9.0 53 57 A X H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.896 106.4 54.8 -66.9 -38.6 36.3 40.5 9.6 54 58 A D H X S+ 0 0 72 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 108.7 49.6 -60.1 -41.2 34.3 40.8 6.4 55 59 A E H X S+ 0 0 74 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.896 108.5 51.6 -61.9 -44.4 32.1 38.0 7.8 56 60 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.931 109.6 51.2 -59.6 -44.0 31.7 39.8 11.2 57 61 A Q H X S+ 0 0 15 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.960 111.2 46.2 -60.9 -48.6 30.6 42.9 9.3 58 62 A S H X S+ 0 0 69 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.928 114.9 46.8 -57.1 -48.3 28.0 41.1 7.2 59 63 A L H X S+ 0 0 40 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.851 110.7 51.7 -67.7 -32.2 26.6 39.3 10.3 60 64 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.907 108.2 52.8 -67.9 -40.4 26.5 42.4 12.4 61 65 A R H X>S+ 0 0 61 -4,-2.5 5,-2.2 -5,-0.2 4,-1.0 0.938 113.1 45.0 -57.2 -44.9 24.5 44.1 9.6 62 66 A Y H ><5S+ 0 0 84 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.954 114.0 46.7 -61.1 -52.3 22.1 41.2 9.7 63 67 A V H 3<5S+ 0 0 2 -4,-2.9 122,-0.3 1,-0.3 126,-0.2 0.874 119.7 39.5 -66.7 -30.8 21.7 41.0 13.5 64 68 A W H 3<5S- 0 0 0 -4,-2.5 127,-1.9 -5,-0.2 -1,-0.3 0.581 106.9-124.7 -91.7 -11.1 21.2 44.8 13.8 65 69 A Q T <<5 + 0 0 72 -4,-1.0 127,-1.7 -3,-0.6 128,-0.4 0.960 67.2 125.2 59.5 53.9 19.0 45.2 10.7 66 70 A T < - 0 0 6 -5,-2.2 -1,-0.3 125,-0.2 -2,-0.1 -0.973 54.1-157.9-131.6 155.0 21.2 47.8 9.1 67 71 A E + 0 0 162 -2,-0.3 4,-0.1 -3,-0.1 -6,-0.1 0.193 45.7 142.8-107.8 11.3 23.0 48.0 5.7 68 72 A N - 0 0 15 1,-0.1 151,-0.1 -7,-0.1 -2,-0.1 -0.325 47.1-147.4 -51.8 122.8 25.6 50.6 7.0 69 73 A P S S+ 0 0 99 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 0.920 92.9 65.2 -52.9 -47.6 29.0 50.0 5.5 70 74 A L + 0 0 24 148,-0.5 148,-1.9 2,-0.0 2,-0.4 -0.580 68.0 129.1 -83.8 78.4 30.7 51.2 8.7 71 75 A T E +B 217 0B 0 -2,-1.9 2,-0.2 146,-0.2 146,-0.2 -0.970 31.8 139.9-129.6 115.1 29.4 48.4 10.9 72 76 A I E -B 216 0B 0 144,-2.4 144,-2.2 -2,-0.4 2,-0.4 -0.801 52.5 -97.4-141.8 178.7 32.4 46.9 12.8 73 77 A A E -B 215 0B 1 -2,-0.2 2,-0.4 142,-0.2 -16,-0.0 -0.922 31.7-139.5-103.2 143.4 33.5 45.5 16.1 74 78 A V E -B 214 0B 2 140,-2.9 140,-2.2 -2,-0.4 2,-2.0 -0.802 19.3-123.4 -94.1 142.2 35.4 47.8 18.5 75 79 A S S S+ 0 0 13 -2,-0.4 2,-0.3 138,-0.2 138,-0.2 -0.533 87.2 60.7 -88.2 72.6 38.3 46.1 20.3 76 80 A G S S- 0 0 18 -2,-2.0 138,-1.0 136,-0.5 136,-0.3 -0.939 92.6 -77.9-179.7 173.1 37.0 47.0 23.7 77 81 A T >> - 0 0 68 -2,-0.3 4,-1.6 134,-0.1 3,-1.4 -0.057 63.5 -76.0 -83.9-174.0 33.9 46.3 25.9 78 82 A G H 3> S+ 0 0 7 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.865 131.1 59.8 -53.7 -35.2 30.5 48.1 25.5 79 83 A T H 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.829 103.5 51.6 -63.0 -34.3 31.9 51.2 27.2 80 84 A A H <> S+ 0 0 19 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.938 111.8 44.2 -71.0 -45.4 34.5 51.5 24.4 81 85 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.899 114.4 52.5 -63.4 -36.4 31.9 51.3 21.6 82 86 A X H >X S+ 0 0 4 -4,-2.6 4,-1.6 -5,-0.2 3,-0.5 0.954 111.0 45.5 -59.7 -53.5 29.7 53.7 23.6 83 87 A E H 3X S+ 0 0 51 -4,-2.7 4,-3.2 1,-0.3 5,-0.3 0.859 106.6 60.2 -63.6 -31.4 32.6 56.2 23.9 84 88 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.873 102.1 52.5 -66.6 -37.3 33.4 55.7 20.2 85 89 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 3,-0.7 0.959 114.3 48.0 -70.7 -49.4 30.4 60.1 21.4 87 91 A A H 3< S+ 0 0 0 -4,-3.2 147,-0.4 1,-0.2 -1,-0.2 0.863 116.3 44.0 -59.8 -41.4 34.0 60.8 20.3 88 92 A N H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.663 122.2 37.4 -79.1 -16.9 33.2 60.4 16.6 89 93 A A H << S+ 0 0 3 -4,-1.0 2,-0.5 -3,-0.7 -2,-0.2 0.625 102.7 76.0-108.5 -19.8 29.9 62.5 16.8 90 94 A V < + 0 0 1 -4,-2.3 -1,-0.1 -5,-0.2 27,-0.1 -0.852 48.3 178.3-109.3 126.3 30.7 65.3 19.2 91 95 A E > - 0 0 21 -2,-0.5 3,-2.6 25,-0.1 24,-0.1 -0.906 51.0 -78.5-110.3 150.6 32.8 68.4 18.5 92 96 A P T 3 S+ 0 0 93 0, 0.0 25,-0.2 0, 0.0 24,-0.2 -0.193 120.2 21.1 -49.1 126.8 33.3 71.1 21.2 93 97 A G T 3 S+ 0 0 54 23,-3.2 24,-0.1 1,-0.4 2,-0.1 0.167 86.1 137.1 99.2 -13.2 30.3 73.2 21.5 94 98 A D < - 0 0 29 -3,-2.6 24,-3.2 1,-0.1 2,-0.5 -0.407 57.4-124.5 -60.9 137.4 27.9 70.7 19.9 95 99 A V E -c 118 0B 27 22,-0.2 50,-2.7 48,-0.2 51,-1.4 -0.773 29.8-169.9 -87.1 126.3 24.6 70.6 21.8 96 100 A V E -cd 119 146B 0 22,-2.1 24,-2.7 -2,-0.5 2,-0.5 -0.983 7.3-158.4-125.7 117.6 24.0 67.0 22.9 97 101 A L E -cd 120 147B 0 49,-2.9 51,-3.0 -2,-0.5 2,-0.5 -0.901 9.5-167.3-100.3 124.7 20.6 66.1 24.4 98 102 A I E -cd 121 148B 1 22,-2.4 24,-1.9 -2,-0.5 2,-0.9 -0.959 18.3-142.8-116.3 128.7 20.5 63.0 26.5 99 103 A G E -c 122 0B 4 49,-2.5 2,-0.7 -2,-0.5 51,-0.4 -0.796 25.6-161.3 -86.1 108.5 17.3 61.2 27.6 100 104 A V E +c 123 0B 8 22,-3.3 24,-1.9 -2,-0.9 3,-0.1 -0.825 37.8 137.5-100.5 112.8 18.3 60.1 31.1 101 105 A A S S+ 0 0 11 -2,-0.7 26,-0.7 22,-0.2 2,-0.3 -0.054 71.4 5.6-139.5 33.2 16.1 57.3 32.6 102 106 A G S > S- 0 0 0 24,-0.1 4,-1.5 1,-0.1 3,-0.4 -0.965 95.6 -63.5 169.1 179.5 18.8 55.2 34.2 103 107 A Y H > S+ 0 0 86 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.837 124.1 52.8 -56.8 -39.0 22.4 54.7 35.0 104 108 A F H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 102.0 60.0 -79.2 -27.2 23.7 54.6 31.4 105 109 A G H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.929 106.5 47.4 -54.8 -48.7 21.9 57.9 30.6 106 110 A N H X S+ 0 0 80 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.860 108.7 54.1 -62.1 -36.0 24.0 59.5 33.3 107 111 A R H X S+ 0 0 70 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.936 106.4 52.1 -64.3 -41.6 27.2 57.9 31.9 108 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.882 107.3 53.5 -57.3 -43.5 26.4 59.4 28.5 109 113 A V H X S+ 0 0 41 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.931 110.7 46.6 -55.8 -46.5 26.1 62.8 30.1 110 114 A D H X S+ 0 0 82 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.951 115.2 45.4 -62.7 -52.1 29.5 62.4 31.7 111 115 A X H X S+ 0 0 14 -4,-2.9 4,-1.0 1,-0.2 3,-0.3 0.923 109.5 54.0 -58.2 -46.7 31.1 61.2 28.4 112 116 A A H ><>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.2 3,-1.1 0.910 106.1 52.7 -60.9 -41.2 29.6 63.9 26.3 113 117 A G H ><5S+ 0 0 39 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.865 102.7 59.7 -61.7 -34.4 30.9 66.7 28.6 114 118 A R H 3<5S+ 0 0 183 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.721 102.4 52.1 -68.8 -21.3 34.4 65.3 28.2 115 119 A Y T <<5S- 0 0 30 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.191 127.3 -99.4 -96.6 14.8 34.3 65.7 24.4 116 120 A G T < 5 + 0 0 33 -3,-1.8 -23,-3.2 1,-0.2 -3,-0.2 0.603 67.8 158.2 83.6 15.0 33.3 69.4 24.9 117 121 A A < - 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