==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUL-06 2HUI . COMPND 2 MOLECULE: ALANINE GLYOXYLATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEDES AEGYPTI; . AUTHOR Q.HAN,H.ROBINSON,Y.G.GAO,N.VOGELAAR,S.R.WILSON,M.RIZZI,J.LI . 770 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 58 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 2 4 2 0 0 2 6 0 0 0 0 3 3 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 0 2 2 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 . 6 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 0 203 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.9 -8.8 -4.9 -15.0 2 2 A E - 0 0 141 2,-0.0 2,-0.8 0, 0.0 3,-0.1 -0.912 360.0-172.7-105.1 115.8 -8.5 -3.4 -11.5 3 3 A Y + 0 0 65 -2,-0.6 449,-0.0 1,-0.2 574,-0.0 -0.841 6.9 179.7-111.8 92.6 -10.0 -5.5 -8.7 4 4 A K S S+ 0 0 115 -2,-0.8 2,-0.4 448,-0.1 -1,-0.2 0.770 72.7 63.0 -60.9 -29.9 -9.8 -3.5 -5.5 5 5 A V S S- 0 0 17 444,-0.2 449,-0.0 443,-0.1 447,-0.0 -0.871 81.3-151.6-101.0 132.2 -11.5 -6.4 -3.6 6 6 A T - 0 0 96 -2,-0.4 443,-0.1 1,-0.1 3,-0.1 -0.654 32.2 -78.3-109.2 155.5 -9.5 -9.6 -3.5 7 7 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.334 61.0-111.2 -51.9 122.3 -10.5 -13.4 -3.3 8 8 A P > - 0 0 10 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.384 14.8-146.3 -67.9 128.9 -11.2 -13.8 0.4 9 9 A A G > S+ 0 0 58 1,-0.2 3,-1.7 2,-0.2 4,-0.4 0.839 95.1 68.9 -55.9 -35.4 -8.8 -16.0 2.3 10 10 A V G > S+ 0 0 18 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.836 91.1 58.5 -55.1 -34.4 -11.6 -17.3 4.4 11 11 A L G < S+ 0 0 8 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.602 93.0 68.1 -78.2 -8.5 -13.2 -19.2 1.5 12 12 A R G < S+ 0 0 146 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.611 87.8 86.2 -78.1 -17.1 -9.9 -21.2 1.1 13 13 A E S < S- 0 0 122 -3,-1.3 3,-0.0 -4,-0.4 2,-0.0 -0.490 95.0 -90.0 -80.8 155.5 -10.6 -22.9 4.4 14 14 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.360 39.4-111.3 -60.1 139.7 -12.9 -26.0 4.7 15 15 A L - 0 0 11 -4,-0.1 2,-0.5 -3,-0.1 -4,-0.0 -0.638 38.2-153.8 -62.1 129.4 -16.6 -25.5 5.3 16 16 A V + 0 0 92 -2,-0.3 423,-0.1 419,-0.2 -3,-0.0 -0.963 24.7 166.6-123.1 126.5 -17.3 -26.7 8.8 17 17 A T - 0 0 18 -2,-0.5 -2,-0.0 412,-0.0 419,-0.0 -0.750 21.4-153.8-137.3 84.5 -20.6 -28.0 10.0 18 18 A P - 0 0 34 0, 0.0 2,-0.8 0, 0.0 -2,-0.0 -0.288 21.9-121.2 -57.3 140.8 -20.6 -29.8 13.4 19 19 A N + 0 0 112 410,-0.1 2,-0.3 2,-0.0 410,-0.1 -0.810 43.1 176.7 -88.7 111.8 -23.4 -32.4 13.8 20 20 A K - 0 0 4 -2,-0.8 2,-0.8 408,-0.4 321,-0.2 -0.738 38.9-113.4-112.8 161.5 -25.3 -31.3 16.9 21 21 A L E -a 341 0A 25 319,-2.3 321,-2.9 -2,-0.3 2,-1.5 -0.878 32.5-151.7 -94.5 104.6 -28.4 -32.5 18.7 22 22 A L E +a 342 0A 2 -2,-0.8 7,-0.4 319,-0.2 341,-0.1 -0.633 33.6 156.1 -85.6 85.2 -30.8 -29.6 18.0 23 23 A M + 0 0 0 -2,-1.5 335,-2.4 319,-0.8 321,-0.3 0.087 43.4 99.1 -99.4 20.8 -33.1 -29.8 21.1 24 24 A G S S- 0 0 2 3,-0.3 333,-0.1 333,-0.3 318,-0.1 -0.106 101.1 -76.4 -82.4-165.8 -34.1 -26.1 20.8 25 25 A P S S+ 0 0 12 0, 0.0 3,-0.2 0, 0.0 332,-0.1 0.284 99.9 29.5 -84.9 14.5 -37.4 -25.1 19.2 26 26 A G S S+ 0 0 6 1,-0.5 405,-0.2 332,-0.1 2,-0.1 -0.321 85.8 39.8 130.3 149.7 -36.1 -25.6 15.7 27 27 A P - 0 0 0 0, 0.0 -1,-0.5 0, 0.0 -3,-0.3 0.525 69.1-153.8 -71.1 156.9 -34.7 -26.5 13.3 28 28 A S - 0 0 2 177,-2.6 400,-0.1 182,-0.2 -5,-0.1 -0.595 33.2 -75.6 -96.6 163.8 -34.8 -30.2 14.3 29 29 A N - 0 0 16 -7,-0.4 333,-0.6 331,-0.2 334,-0.1 -0.357 51.4-123.7 -61.5 129.1 -32.3 -32.8 13.2 30 30 A A - 0 0 15 -2,-0.1 180,-0.1 1,-0.1 179,-0.1 -0.467 23.2-111.1 -73.0 137.1 -32.8 -33.9 9.6 31 31 A P > - 0 0 7 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.354 26.7-118.8 -53.8 148.4 -33.4 -37.6 8.8 32 32 A Q H > S+ 0 0 116 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.878 116.1 61.0 -56.5 -36.0 -30.5 -39.1 6.9 33 33 A R H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.885 105.8 45.9 -61.4 -38.5 -33.0 -39.8 4.1 34 34 A V H > S+ 0 0 0 -3,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.939 113.0 48.1 -71.7 -43.9 -33.6 -36.1 3.8 35 35 A L H >< S+ 0 0 12 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.926 111.7 51.2 -57.6 -45.3 -30.0 -35.1 3.9 36 36 A D H >< S+ 0 0 92 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.914 105.8 55.4 -58.8 -43.3 -29.1 -37.8 1.3 37 37 A A H >< S+ 0 0 3 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.732 95.6 67.7 -62.5 -23.1 -31.9 -36.5 -1.0 38 38 A M T << S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.529 89.1 63.3 -84.7 -1.8 -30.4 -33.0 -1.0 39 39 A S T < S+ 0 0 26 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.374 78.6 117.4 -91.4 2.0 -27.3 -34.2 -2.9 40 40 A R S < S- 0 0 70 -3,-1.4 3,-0.1 -4,-0.1 227,-0.1 -0.324 78.4 -89.4 -65.4 153.1 -29.6 -35.0 -5.9 41 41 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.266 46.4 -99.8 -65.8 151.8 -28.9 -33.1 -9.2 42 42 A I - 0 0 7 372,-0.1 364,-0.4 -3,-0.1 2,-0.3 -0.397 38.2-154.6 -67.0 140.9 -30.8 -29.8 -9.7 43 43 A L - 0 0 0 -2,-0.1 220,-0.3 -3,-0.1 221,-0.1 -0.868 26.7 -92.0-114.1 157.5 -33.8 -29.9 -12.0 44 44 A G > - 0 0 0 -2,-0.3 3,-1.2 1,-0.1 6,-0.2 -0.378 35.7-122.4 -64.9 145.5 -35.4 -27.2 -14.2 45 45 A H T 3 S+ 0 0 26 1,-0.3 -1,-0.1 367,-0.2 216,-0.1 0.686 110.6 34.5 -67.7 -19.7 -38.2 -25.3 -12.3 46 46 A L T 3 S+ 0 0 58 4,-0.1 -1,-0.3 211,-0.0 -2,-0.1 0.221 87.1 125.7-117.1 11.3 -40.8 -26.2 -15.0 47 47 A H S X> S- 0 0 19 -3,-1.2 4,-2.4 1,-0.1 3,-0.9 -0.427 71.3-117.8 -69.5 146.4 -39.5 -29.7 -15.9 48 48 A P H 3> S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.858 115.2 55.9 -55.2 -36.4 -42.1 -32.5 -15.6 49 49 A E H 3> S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 353,-0.2 0.843 109.0 47.9 -65.8 -33.2 -40.1 -34.3 -13.0 50 50 A T H <> S+ 0 0 0 -3,-0.9 4,-2.5 -6,-0.2 -1,-0.2 0.922 111.1 49.0 -70.1 -47.3 -40.1 -31.1 -10.9 51 51 A L H X S+ 0 0 26 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.872 109.2 54.6 -63.0 -31.6 -43.9 -30.6 -11.3 52 52 A K H X S+ 0 0 91 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.937 107.6 48.5 -65.0 -47.7 -44.4 -34.2 -10.3 53 53 A I H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.947 113.1 48.5 -56.1 -46.0 -42.4 -33.7 -7.1 54 54 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.928 110.5 51.0 -61.7 -45.9 -44.6 -30.5 -6.4 55 55 A D H X S+ 0 0 55 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.905 111.0 48.2 -54.8 -43.7 -47.8 -32.4 -7.1 56 56 A D H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 109.2 53.2 -68.8 -42.3 -46.7 -35.2 -4.7 57 57 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.927 105.5 54.9 -54.1 -47.0 -45.9 -32.6 -2.0 58 58 A K H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 107.4 49.4 -56.4 -44.2 -49.4 -31.1 -2.5 59 59 A E H X S+ 0 0 76 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.923 112.1 49.4 -61.3 -42.7 -51.0 -34.5 -1.8 60 60 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.900 111.2 47.4 -63.2 -45.6 -48.7 -34.9 1.3 61 61 A V H X S+ 0 0 2 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.919 107.8 56.0 -65.3 -37.4 -49.6 -31.5 2.7 62 62 A R H X>S+ 0 0 55 -4,-2.5 5,-2.2 -5,-0.2 4,-1.4 0.919 111.4 45.9 -57.5 -41.2 -53.3 -32.1 2.1 63 63 A Y H <5S+ 0 0 8 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.960 114.3 45.3 -61.7 -55.0 -52.9 -35.2 4.3 64 64 A L H <5S+ 0 0 5 -4,-2.6 122,-0.2 1,-0.2 -2,-0.2 0.877 121.5 38.8 -61.4 -39.8 -50.9 -33.5 7.0 65 65 A F H <5S- 0 0 0 -4,-3.1 127,-2.7 -5,-0.2 -1,-0.2 0.697 105.4-130.0 -75.9 -23.9 -53.3 -30.5 7.1 66 66 A Q T <5 + 0 0 4 -4,-1.4 127,-1.7 -5,-0.3 128,-0.4 0.981 61.8 131.1 58.5 61.2 -56.4 -32.7 6.6 67 67 A T < - 0 0 0 -5,-2.2 -1,-0.2 125,-0.2 -2,-0.1 -0.983 54.7-160.3-135.9 150.3 -57.7 -30.5 3.8 68 68 A N + 0 0 90 -2,-0.3 4,-0.1 -3,-0.1 -6,-0.1 0.143 46.1 146.6-102.8 11.9 -59.1 -31.0 0.3 69 69 A N - 0 0 21 1,-0.2 3,-0.2 2,-0.1 151,-0.1 -0.230 44.5-151.5 -53.8 128.4 -58.4 -27.3 -0.6 70 70 A I S S+ 0 0 105 1,-0.2 2,-2.0 149,-0.1 -1,-0.2 0.870 90.2 71.4 -66.2 -35.3 -57.4 -26.9 -4.2 71 71 A A E S+B 219 0B 0 148,-0.6 148,-2.1 180,-0.1 2,-0.4 -0.456 70.9 129.0 -82.2 65.5 -55.3 -23.8 -3.3 72 72 A T E +B 218 0B 0 -2,-2.0 2,-0.2 146,-0.2 146,-0.2 -0.990 24.3 118.9-123.1 128.0 -52.6 -25.9 -1.5 73 73 A F E -B 217 0B 2 144,-2.5 144,-3.1 -2,-0.4 2,-0.4 -0.842 54.7 -90.3-162.5-170.1 -49.0 -25.3 -2.3 74 74 A C E -B 216 0B 0 142,-0.3 2,-0.4 -2,-0.2 -16,-0.0 -0.973 26.2-135.3-124.3 147.4 -45.6 -24.3 -0.9 75 75 A L E -B 215 0B 3 140,-2.7 140,-2.6 -2,-0.4 2,-1.9 -0.794 20.2-125.9 -95.6 139.4 -44.0 -20.8 -0.6 76 76 A S S S+ 0 0 19 -2,-0.4 388,-0.4 162,-0.3 2,-0.3 -0.496 83.5 75.6 -84.3 68.9 -40.4 -20.4 -1.5 77 77 A A S S- 0 0 1 -2,-1.9 138,-0.2 386,-0.1 -2,-0.2 -0.954 86.9 -85.9-165.9 164.3 -39.6 -18.8 1.8 78 78 A S >> - 0 0 0 384,-0.4 3,-2.1 -2,-0.3 4,-0.7 -0.078 63.6 -76.3 -72.1 178.2 -39.0 -19.7 5.5 79 79 A G H >> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 3,-1.3 0.829 130.8 63.1 -49.5 -38.8 -41.9 -19.9 8.0 80 80 A H H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.830 94.3 63.8 -55.0 -35.6 -42.2 -16.1 8.2 81 81 A G H <> S+ 0 0 0 -3,-2.1 4,-2.7 2,-0.2 -1,-0.3 0.797 96.7 56.7 -58.0 -33.8 -43.1 -16.2 4.5 82 82 A G H - 0 0 16 -2,-0.4 3,-2.4 1,-0.1 24,-0.0 -0.829 53.0 -62.9-116.0 163.3 -56.3 -4.7 1.8 93 93 A D T 3 S+ 0 0 109 -2,-0.3 25,-0.2 1,-0.3 24,-0.1 -0.155 122.8 9.8 -45.5 126.0 -55.7 -1.2 3.1 94 94 A G T 3 S+ 0 0 48 23,-2.9 -1,-0.3 1,-0.3 24,-0.2 0.286 86.1 146.0 86.7 -10.7 -57.9 -0.5 6.2 95 95 A D < - 0 0 34 -3,-2.4 24,-3.0 22,-0.1 2,-0.6 -0.342 51.6-121.8 -56.7 139.2 -59.2 -4.0 6.6 96 96 A V E -c 119 0B 28 22,-0.2 50,-2.6 48,-0.2 51,-1.3 -0.762 33.3-177.6 -89.1 120.8 -59.8 -4.8 10.3 97 97 A I E -cd 120 147B 0 22,-2.0 24,-2.9 -2,-0.6 2,-0.5 -0.981 14.8-150.5-115.7 136.3 -57.7 -7.9 11.5 98 98 A L E -cd 121 148B 0 49,-3.0 51,-2.6 -2,-0.4 2,-0.6 -0.905 8.9-153.6-102.8 126.1 -57.9 -9.2 15.0 99 99 A I E -cd 122 149B 1 22,-2.9 24,-3.0 -2,-0.5 2,-0.9 -0.912 6.7-148.0 -99.0 118.4 -54.8 -10.9 16.3 100 100 A G E -c 123 0B 1 49,-2.7 2,-0.7 -2,-0.6 51,-0.5 -0.800 23.3-153.6 -80.1 104.6 -55.3 -13.6 19.0 101 101 A H E +c 124 0B 10 22,-3.3 24,-3.1 -2,-0.9 3,-0.1 -0.748 38.1 150.7 -95.1 112.7 -52.0 -13.1 21.0 102 102 A T S S- 0 0 6 -2,-0.7 2,-0.3 1,-0.2 57,-0.2 0.043 74.9 -42.3-121.2 19.8 -50.7 -16.1 22.9 103 103 A G S >> S- 0 0 2 1,-0.1 3,-2.0 53,-0.1 4,-0.8 -0.958 100.5 -23.7 146.0-168.4 -47.1 -15.1 22.6 104 104 A H H >> S+ 0 0 16 243,-0.3 4,-2.3 -2,-0.3 3,-0.8 0.802 120.7 65.4 -44.9 -43.0 -44.4 -13.6 20.3 105 105 A W H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.756 96.0 58.7 -64.6 -20.0 -46.2 -14.7 17.1 106 106 A G H <> S+ 0 0 1 -3,-2.0 4,-2.0 2,-0.2 -1,-0.3 0.867 107.5 46.5 -69.1 -39.9 -49.0 -12.3 17.9 107 107 A D H S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 -1,-0.2 0.890 110.5 46.3 -56.9 -43.6 -50.4 -6.8 9.2 114 114 A T H ><5S+ 0 0 83 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.945 109.6 54.3 -67.8 -39.0 -49.7 -3.1 10.0 115 115 A R H 3<5S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.842 106.0 54.0 -55.1 -38.3 -46.9 -3.0 7.4 116 116 A Y T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.376 125.5-103.2 -80.5 1.5 -49.5 -4.3 4.9 117 117 A G T < 5S+ 0 0 31 -3,-2.0 -23,-2.9 1,-0.2 -3,-0.2 0.561 70.4 146.4 91.3 11.5 -51.8 -1.3 5.7 118 118 A A < - 0 0 15 -5,-2.4 2,-0.9 -25,-0.2 -1,-0.2 -0.314 57.6-115.0 -77.2 164.5 -54.4 -3.2 7.9 119 119 A D E -c 96 0B 64 -24,-3.0 -22,-2.0 -2,-0.0 2,-0.4 -0.883 44.3-151.9 -97.8 99.8 -56.3 -1.8 10.9 120 120 A V E +c 97 0B 38 -2,-0.9 2,-0.3 -24,-0.2 -22,-0.2 -0.676 20.4 179.3 -94.1 127.2 -54.8 -4.0 13.5 121 121 A R E -c 98 0B 68 -24,-2.9 -22,-2.9 -2,-0.4 2,-0.4 -0.912 11.5-154.1-119.2 147.9 -56.6 -5.1 16.7 122 122 A V E -c 99 0B 79 -2,-0.3 2,-0.5 -24,-0.2 -22,-0.2 -0.981 13.6-170.2-129.0 133.9 -55.2 -7.4 19.4 123 123 A V E -c 100 0B 25 -24,-3.0 -22,-3.3 -2,-0.4 2,-0.4 -0.996 24.9-147.2-115.6 126.2 -56.7 -9.7 22.0 124 124 A K E -c 101 0B 138 -2,-0.5 -22,-0.2 -24,-0.2 3,-0.1 -0.748 5.1-127.9-104.6 133.0 -54.2 -11.0 24.5 125 125 A S - 0 0 19 -24,-3.1 6,-0.1 -2,-0.4 2,-0.1 -0.248 33.9 -99.5 -57.0 154.2 -54.0 -14.3 26.3 126 126 A K > - 0 0 121 4,-0.4 3,-2.2 1,-0.1 -1,-0.1 -0.465 66.2 -71.3 -64.2 152.6 -53.6 -14.6 30.1 127 127 A V T 3 S- 0 0 119 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.280 117.8 -2.1 -57.5 131.4 -50.0 -15.3 30.9 128 128 A G T 3 S+ 0 0 8 1,-0.2 181,-2.9 180,-0.1 2,-0.3 0.593 116.2 104.7 62.1 17.0 -49.0 -18.8 30.0 129 129 A Q < - 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0 0 0 0, 0.0 -1,-0.5 0, 0.0 -3,-0.3 0.493 68.5-155.4 -70.7 157.3 -30.6 -23.4 -13.3 414 28 B S - 0 0 2 177,-2.3 2,-0.1 178,-0.2 -372,-0.1 -0.630 34.2 -76.0 -97.5 163.8 -27.2 -24.6 -14.4 415 29 B N - 0 0 22 -7,-0.3 333,-0.6 331,-0.2 334,-0.1 -0.374 51.6-124.1 -64.7 126.6 -25.6 -28.0 -13.3 416 30 B A - 0 0 14 -2,-0.1 180,-0.1 1,-0.1 179,-0.1 -0.445 24.8-108.7 -69.8 137.6 -24.4 -27.9 -9.7 417 31 B P >> - 0 0 6 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.406 27.4-118.8 -57.6 142.8 -20.7 -28.8 -9.1 418 32 B Q H 3> S+ 0 0 115 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.855 115.5 61.0 -52.5 -36.6 -20.4 -32.1 -7.3 419 33 B R H 3> S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.882 105.6 46.6 -59.2 -38.5 -18.8 -30.2 -4.4 420 34 B V H <> S+ 0 0 0 -3,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.941 111.8 49.1 -74.1 -40.1 -21.9 -28.2 -4.0 421 35 B L H >< S+ 0 0 9 -4,-2.1 3,-0.6 1,-0.2 4,-0.2 0.927 110.9 50.6 -57.7 -46.5 -24.3 -31.2 -4.1 422 36 B D H >< S+ 0 0 92 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.919 105.9 56.7 -57.7 -44.4 -22.2 -33.1 -1.5 423 37 B A H >< S+ 0 0 4 -4,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.775 94.7 66.7 -60.7 -28.5 -22.2 -30.1 0.9 424 38 B M T << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.497 89.8 64.6 -78.9 0.2 -25.9 -30.0 0.9 425 39 B S T < S+ 0 0 30 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.383 77.9 116.8 -90.7 -3.2 -25.9 -33.4 2.7 426 40 B R S < S- 0 0 70 -3,-1.8 3,-0.1 -4,-0.1 227,-0.1 -0.282 79.0 -89.5 -62.0 153.2 -24.2 -31.7 5.7 427 41 B P - 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