==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-00 1FP8 . COMPND 2 MOLECULE: 4-ALPHA-GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.C.M.UITDEHAAG,G.J.EUVERINK,B.A.VAN DER VEEN,M.VAN DER . 500 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.8 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 23 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 2 2 1 1 0 1 1 1 3 3 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 1 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 0 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 55 0, 0.0 2,-0.9 0, 0.0 333,-0.0 0.000 360.0 360.0 360.0 146.1 16.3 8.1 16.4 2 2 A E - 0 0 158 384,-0.0 384,-0.0 443,-0.0 355,-0.0 -0.741 360.0-169.2 -88.6 104.3 18.3 5.2 17.9 3 3 A L - 0 0 8 -2,-0.9 2,-0.1 1,-0.0 384,-0.0 -0.748 18.8-126.8 -93.7 137.5 20.9 6.7 20.3 4 4 A P - 0 0 38 0, 0.0 2,-1.0 0, 0.0 -1,-0.0 -0.435 36.3 -94.8 -77.7 159.2 23.7 4.5 21.6 5 5 A R S S+ 0 0 74 -2,-0.1 2,-0.2 495,-0.1 441,-0.2 -0.651 79.7 119.7 -76.4 104.8 24.2 4.3 25.3 6 6 A A E -a 446 0A 0 439,-2.5 441,-1.0 -2,-1.0 2,-0.3 -0.833 50.9-123.3-151.4-172.8 26.9 6.9 25.8 7 7 A F E +a 447 0A 0 492,-0.5 35,-2.6 33,-0.3 36,-0.7 -0.913 21.0 174.5-139.1 165.6 28.0 10.2 27.4 8 8 A G E -ab 448 43A 0 439,-2.4 441,-1.9 -2,-0.3 2,-0.3 -0.914 24.2-112.0-156.8-177.4 29.3 13.6 26.4 9 9 A L E -ab 449 44A 0 34,-2.0 36,-2.4 -2,-0.3 2,-0.5 -0.963 16.6-135.7-130.9 146.0 30.2 17.1 27.5 10 10 A L E +ab 450 45A 9 439,-2.7 441,-2.0 -2,-0.3 2,-0.2 -0.879 37.8 148.8-101.3 127.5 28.7 20.5 27.0 11 11 A L - 0 0 3 34,-2.8 -2,-0.1 -2,-0.5 5,-0.1 -0.773 37.4-140.3-162.1 113.0 31.1 23.3 26.1 12 12 A H > - 0 0 10 -2,-0.2 3,-1.8 34,-0.1 4,-0.3 -0.505 28.0-121.4 -72.5 142.0 30.6 26.4 24.0 13 13 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.798 109.3 66.1 -54.2 -32.0 33.7 27.2 21.9 14 14 A T G 3 S+ 0 0 2 1,-0.3 9,-2.2 8,-0.1 10,-0.0 0.785 94.8 61.2 -62.4 -25.4 34.1 30.7 23.4 15 15 A S G < S+ 0 0 2 -3,-1.8 462,-3.1 7,-0.2 -1,-0.3 0.531 78.1 111.9 -78.9 -9.0 34.8 28.9 26.7 16 16 A L S < S- 0 0 2 -3,-1.7 13,-0.1 -4,-0.3 2,-0.1 -0.336 72.3-114.9 -64.1 149.5 38.0 27.2 25.4 17 17 A P + 0 0 22 0, 0.0 7,-0.3 0, 0.0 461,-0.1 -0.330 60.7 101.5 -79.1 168.1 41.3 28.4 26.9 18 18 A G - 0 0 24 459,-0.2 3,-0.3 5,-0.1 4,-0.1 -0.634 65.4 -54.2 138.4 163.7 43.8 30.2 24.7 19 19 A P S S+ 0 0 54 0, 0.0 3,-0.3 0, 0.0 68,-0.0 -0.268 96.5 42.5 -74.3 157.3 45.3 33.6 23.8 20 20 A Y S S- 0 0 63 1,-0.2 66,-0.1 70,-0.1 83,-0.0 0.693 113.7 -71.7 85.2 26.3 43.5 36.7 22.5 21 21 A G S S+ 0 0 2 -3,-0.3 75,-0.4 70,-0.2 2,-0.3 0.328 106.1 46.2 82.6 -5.6 40.4 37.0 24.6 22 22 A V S S- 0 0 3 -3,-0.3 -7,-0.2 73,-0.1 -8,-0.1 -0.956 84.2 -93.7-167.4 145.3 38.1 34.2 23.5 23 23 A G - 0 0 1 -9,-2.2 2,-0.3 -2,-0.3 -5,-0.1 -0.349 48.5-170.6 -59.8 142.1 38.0 30.5 22.6 24 24 A V - 0 0 9 -7,-0.3 2,-1.8 -10,-0.0 5,-0.3 -0.809 37.3 -92.8-130.9 172.5 38.5 29.9 18.9 25 25 A L S S+ 0 0 6 46,-2.4 48,-0.2 -2,-0.3 2,-0.1 -0.423 90.4 89.8 -85.1 64.0 38.3 27.0 16.4 26 26 A G S >> S- 0 0 2 -2,-1.8 4,-2.1 46,-0.1 3,-0.6 -0.381 92.8 -35.4-132.6-149.1 42.0 26.1 16.7 27 27 A Q H 3> S+ 0 0 88 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.830 128.9 52.2 -48.7 -45.8 44.5 23.9 18.5 28 28 A E H 3> S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.891 108.1 52.1 -62.6 -38.5 42.8 24.2 21.9 29 29 A A H <> S+ 0 0 1 -3,-0.6 4,-1.9 -5,-0.3 -2,-0.2 0.936 111.6 46.7 -62.3 -43.9 39.5 23.1 20.4 30 30 A R H X S+ 0 0 82 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.869 110.3 53.4 -64.7 -35.9 41.3 20.1 18.9 31 31 A D H X S+ 0 0 84 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.854 107.2 52.2 -66.2 -35.9 43.0 19.4 22.3 32 32 A F H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.885 108.2 49.9 -67.6 -38.9 39.5 19.4 23.9 33 33 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.898 110.6 50.6 -65.7 -38.8 38.2 16.9 21.4 34 34 A R H X S+ 0 0 146 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.918 109.9 50.2 -63.6 -44.0 41.2 14.7 22.1 35 35 A F H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.945 109.9 51.2 -57.6 -49.4 40.5 15.0 25.9 36 36 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-0.2 0.895 111.0 47.3 -56.3 -43.9 36.9 14.0 25.2 37 37 A K H ><5S+ 0 0 97 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.910 110.5 51.8 -65.6 -41.3 38.0 11.0 23.3 38 38 A E H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.9 53.3 -62.7 -33.0 40.5 10.0 26.0 39 39 A A T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 455,-0.2 0.482 119.1-114.0 -80.3 -3.0 37.7 10.3 28.5 40 40 A G T < 5 + 0 0 7 -3,-1.5 -33,-0.3 1,-0.3 -3,-0.2 0.595 66.1 148.6 81.1 9.7 35.6 8.0 26.5 41 41 A G < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -33,-0.2 -0.502 30.3-172.1 -77.6 148.3 33.0 10.6 25.6 42 42 A R + 0 0 73 -35,-2.6 167,-2.4 -2,-0.2 2,-0.3 0.326 61.8 59.8-122.6 5.3 31.3 10.4 22.2 43 43 A Y E -bc 8 209A 2 -36,-0.7 -34,-2.0 165,-0.2 2,-0.4 -0.996 50.5-169.2-140.6 143.8 29.4 13.7 22.1 44 44 A W E -bc 9 210A 1 165,-2.0 167,-2.9 -2,-0.3 2,-0.4 -0.987 14.5-161.9-130.0 117.6 30.2 17.4 22.2 45 45 A Q E +bc 10 211A 1 -36,-2.4 -34,-2.8 -2,-0.4 2,-0.3 -0.869 11.5 176.2-107.0 135.8 27.4 19.9 22.7 46 46 A V - 0 0 0 165,-2.3 -34,-0.1 -2,-0.4 3,-0.1 -0.834 27.8-114.3-128.4 166.9 27.7 23.6 21.8 47 47 A L - 0 0 3 -2,-0.3 166,-0.2 1,-0.2 12,-0.0 -0.368 63.9 -51.3 -91.9 175.8 25.3 26.5 21.8 48 48 A P - 0 0 9 0, 0.0 -1,-0.2 0, 0.0 166,-0.1 -0.180 50.1-149.5 -49.3 140.8 24.2 28.4 18.6 49 49 A L + 0 0 11 164,-0.3 19,-2.4 -3,-0.1 22,-0.1 0.152 52.0 113.2-104.2 19.4 27.3 29.5 16.6 50 50 A G S S- 0 0 9 8,-0.4 18,-0.2 17,-0.3 17,-0.2 -0.266 75.6 -71.9 -88.4 176.1 26.1 32.7 14.8 51 51 A P - 0 0 3 0, 0.0 11,-1.5 0, 0.0 12,-0.4 -0.417 51.4-145.0 -67.3 136.1 27.2 36.4 15.2 52 52 A T - 0 0 20 9,-0.2 2,-0.1 -2,-0.1 9,-0.1 -0.600 15.3-171.8-103.3 162.7 26.1 38.1 18.4 53 53 A G > - 0 0 17 7,-0.5 3,-3.0 4,-0.3 4,-0.2 -0.334 57.1 -11.9-127.0-151.0 25.0 41.6 19.2 54 54 A Y T 3 S+ 0 0 236 1,-0.3 -1,-0.2 -2,-0.1 3,-0.2 -0.316 133.4 30.2 -55.0 124.5 24.3 43.6 22.4 55 55 A G T 3 S- 0 0 34 1,-0.1 -1,-0.3 -3,-0.1 417,-0.1 0.101 103.6-119.4 109.9 -20.5 24.1 41.0 25.2 56 56 A D < + 0 0 47 -3,-3.0 -1,-0.1 1,-0.2 -2,-0.1 0.732 58.9 159.4 57.4 26.2 26.6 38.7 23.5 57 57 A S > - 0 0 20 -3,-0.2 3,-1.7 -4,-0.2 -4,-0.3 -0.663 43.9-151.2 -88.0 127.0 23.9 36.0 23.4 58 58 A P T 3 S+ 0 0 8 0, 0.0 -8,-0.4 0, 0.0 3,-0.3 0.641 96.8 62.9 -67.3 -10.0 24.2 33.1 20.9 59 59 A Y T 3 S+ 0 0 19 1,-0.2 2,-0.1 155,-0.1 158,-0.1 0.362 99.1 52.6 -95.7 3.0 20.4 33.0 21.0 60 60 A Q S < S+ 0 0 83 -3,-1.7 -7,-0.5 -10,-0.1 -1,-0.2 -0.562 80.0 169.7-135.0 69.0 19.8 36.4 19.5 61 61 A S - 0 0 18 -3,-0.3 158,-0.4 -9,-0.1 -9,-0.2 -0.465 46.5-129.6 -86.9 153.6 22.0 36.4 16.3 62 62 A F S S+ 0 0 40 -11,-1.5 161,-3.0 1,-0.2 2,-0.3 0.571 100.0 23.9 -72.9 -8.7 22.1 38.9 13.4 63 63 A S - 0 0 4 -12,-0.4 -1,-0.2 159,-0.2 -2,-0.1 -0.974 60.0-147.6-158.7 143.6 21.7 35.8 11.3 64 64 A A S S+ 0 0 34 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.462 105.1 35.2 -88.3 -2.3 20.3 32.3 11.5 65 65 A F S S+ 0 0 15 72,-0.1 -1,-0.1 2,-0.1 73,-0.1 0.678 94.6 93.3-120.2 -31.7 22.9 31.0 9.0 66 66 A A - 0 0 6 71,-0.1 2,-0.3 1,-0.1 -3,-0.1 -0.131 68.4-120.9 -66.8 160.4 26.2 33.0 9.6 67 67 A G - 0 0 1 -17,-0.2 -17,-0.3 1,-0.0 125,-0.1 -0.689 32.6 -98.7 -99.6 156.5 29.0 31.9 11.8 68 68 A N > - 0 0 9 -19,-2.4 3,-1.9 -2,-0.3 4,-0.3 -0.634 24.8-154.6 -77.4 114.4 30.3 33.9 14.8 69 69 A P G > S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.740 90.0 70.3 -61.2 -22.6 33.4 35.9 13.7 70 70 A Y G 3 S+ 0 0 18 1,-0.2 -2,-0.0 -46,-0.0 -48,-0.0 0.666 93.0 59.2 -68.1 -15.1 34.7 36.0 17.3 71 71 A L G < S+ 0 0 0 -3,-1.9 -46,-2.4 -22,-0.1 -1,-0.2 0.544 76.8 113.8 -91.3 -7.9 35.4 32.3 17.0 72 72 A I < - 0 0 0 -3,-1.2 2,-0.6 -4,-0.3 120,-0.1 -0.462 69.2-129.5 -66.6 127.8 37.8 32.6 14.1 73 73 A D - 0 0 10 -48,-0.2 4,-0.4 -2,-0.2 -1,-0.1 -0.705 20.4-169.4 -79.1 118.1 41.3 31.6 15.0 74 74 A L > + 0 0 5 -2,-0.6 4,-2.4 1,-0.2 3,-0.3 0.665 69.5 82.7 -83.5 -16.7 43.6 34.5 13.9 75 75 A R H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 87.2 53.3 -55.9 -44.8 46.8 32.6 14.5 76 76 A P H > S+ 0 0 54 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.898 112.3 46.3 -59.8 -35.8 46.7 30.8 11.1 77 77 A L H 4>S+ 0 0 11 -4,-0.4 5,-2.4 -3,-0.3 3,-0.4 0.875 110.2 52.8 -71.8 -37.1 46.3 34.1 9.4 78 78 A A H ><5S+ 0 0 34 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.853 103.5 58.6 -65.5 -34.2 49.1 35.7 11.5 79 79 A E H 3<5S+ 0 0 166 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 104.7 49.7 -64.7 -30.0 51.3 32.8 10.4 80 80 A R T 3<5S- 0 0 132 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.318 120.5-113.5 -90.0 7.3 50.7 33.8 6.8 81 81 A G T < 5S+ 0 0 27 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.670 79.7 128.7 71.2 18.3 51.6 37.4 7.7 82 82 A Y S - 0 0 46 -2,-0.5 4,-2.4 -75,-0.4 5,-0.2 -0.897 8.3-169.3-105.2 97.1 35.4 40.6 28.1 97 97 A Y H > S+ 0 0 28 -2,-0.8 4,-2.4 1,-0.2 -1,-0.1 0.744 80.5 59.6 -61.6 -24.8 33.2 41.3 25.1 98 98 A G H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 110.7 38.6 -68.8 -50.8 33.9 45.0 25.2 99 99 A L H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.875 115.6 55.5 -66.2 -36.6 37.7 44.5 24.7 100 100 A L H X>S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.5 0.939 108.9 46.6 -61.6 -46.2 36.9 41.7 22.3 101 101 A Y H X5S+ 0 0 147 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.920 114.1 47.9 -60.4 -45.6 34.8 44.0 20.2 102 102 A A H <5S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.754 124.9 29.2 -68.7 -25.3 37.4 46.7 20.3 103 103 A W H X5S+ 0 0 24 -4,-1.9 4,-1.5 -3,-0.2 -2,-0.2 0.836 115.1 50.8-105.7 -42.0 40.2 44.4 19.4 104 104 A K H X5S+ 0 0 4 -4,-3.1 4,-2.8 -5,-0.3 5,-0.2 0.910 105.3 52.8 -69.1 -44.3 39.0 41.5 17.2 105 105 A W H X S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.915 113.4 51.4 -65.7 -35.9 40.0 45.7 13.6 107 107 A A H X S+ 0 0 5 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.907 109.8 49.0 -63.3 -42.6 42.2 42.6 13.6 108 108 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.895 111.3 49.2 -64.4 -39.9 39.9 40.8 11.3 109 109 A K H X S+ 0 0 49 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.918 111.2 50.5 -64.5 -42.6 39.8 43.8 9.0 110 110 A E H X S+ 0 0 73 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 108.0 52.6 -60.7 -44.2 43.5 44.0 9.1 111 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.854 106.6 53.9 -61.7 -35.3 43.8 40.3 8.2 112 112 A F H X S+ 0 0 6 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.883 107.1 49.8 -67.6 -39.1 41.5 40.8 5.2 113 113 A R H X S+ 0 0 144 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.939 111.5 50.0 -63.2 -45.2 43.8 43.6 3.8 114 114 A G H X S+ 0 0 11 -4,-2.4 4,-3.5 -32,-0.6 5,-0.4 0.909 111.4 49.4 -57.9 -42.1 46.7 41.2 4.3 115 115 A F H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.951 107.4 51.2 -62.7 -52.6 44.7 38.5 2.4 116 116 A K H < S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.743 119.6 40.9 -58.4 -20.8 43.8 40.7 -0.5 117 117 A E H < S+ 0 0 147 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.889 130.6 18.5 -94.2 -46.7 47.5 41.6 -0.7 118 118 A K H < S+ 0 0 112 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.588 87.6 119.8-105.0 -12.6 49.3 38.3 -0.1 119 119 A A < - 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0 0 13 -2,-0.3 3,-1.0 -3,-0.2 70,-0.2 -0.291 42.6 -89.9 -93.7-176.0 21.8 23.3 31.3 394 394 A H T 3 S+ 0 0 16 1,-0.2 70,-1.5 69,-0.1 79,-0.2 0.684 127.5 55.8 -68.0 -18.1 23.6 26.5 30.2 395 395 A D T 3 S+ 0 0 55 68,-0.1 -1,-0.2 70,-0.1 2,-0.2 0.590 97.9 75.7 -89.5 -12.9 20.7 28.4 31.8 396 396 A N S < S- 0 0 23 -3,-1.0 67,-0.4 1,-0.1 68,-0.4 -0.512 91.2-101.5 -93.1 166.0 21.1 26.8 35.2 397 397 A D - 0 0 19 1,-0.2 -1,-0.1 -2,-0.2 62,-0.1 -0.301 55.8 -80.0 -75.4 169.3 23.8 27.6 37.8 398 398 A T > - 0 0 5 1,-0.1 4,-2.6 60,-0.1 5,-0.2 -0.281 47.6-107.4 -63.3 164.1 26.7 25.1 38.0 399 399 A T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.853 121.5 51.2 -66.5 -31.8 25.6 22.1 40.0 400 400 A L H > S+ 0 0 5 57,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.941 111.9 46.6 -68.1 -45.3 27.8 23.2 42.9 401 401 A G H > S+ 0 0 0 56,-0.6 4,-1.0 1,-0.2 -2,-0.2 0.900 111.4 51.7 -61.8 -41.8 26.3 26.6 42.9 402 402 A W H >X S+ 0 0 23 -4,-2.6 4,-0.7 1,-0.2 3,-0.6 0.910 109.0 51.3 -59.9 -44.2 22.8 25.2 42.7 403 403 A Y H >< S+ 0 0 41 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.877 104.1 56.6 -62.9 -40.9 23.5 23.0 45.7 404 404 A R H 3< S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.760 116.7 35.8 -63.6 -25.1 24.8 25.9 47.8 405 405 A T H << S+ 0 0 108 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.413 93.3 117.7-107.4 -1.9 21.4 27.7 47.3 406 406 A A S << S- 0 0 11 -4,-0.7 -3,-0.1 -3,-0.6 -37,-0.0 -0.257 71.5-102.0 -66.5 154.2 19.2 24.6 47.3 407 407 A T >> - 0 0 68 1,-0.1 4,-2.4 4,-0.0 3,-0.5 -0.453 28.7-113.2 -76.0 148.7 16.6 24.1 50.0 408 408 A P H 3> S+ 0 0 105 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 118.4 55.5 -50.1 -37.9 17.2 21.8 52.9 409 409 A H H 3> S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.926 108.2 46.3 -61.8 -45.8 14.5 19.5 51.6 410 410 A E H <> S+ 0 0 22 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.905 113.6 49.9 -63.2 -42.0 16.1 19.2 48.1 411 411 A K H X S+ 0 0 68 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.911 114.3 42.6 -64.9 -42.7 19.5 18.6 49.7 412 412 A A H X S+ 0 0 45 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.943 116.8 46.8 -69.4 -47.1 18.3 15.8 52.0 413 413 A F H X S+ 0 0 17 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.897 111.1 52.6 -62.5 -40.0 16.0 14.1 49.5 414 414 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.900 109.5 50.1 -61.7 -40.5 18.8 14.3 46.9 415 415 A A H X S+ 0 0 39 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.905 113.8 44.1 -65.2 -42.0 21.2 12.6 49.4 416 416 A R H X S+ 0 0 130 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 112.7 51.1 -69.1 -43.5 18.7 9.8 50.1 417 417 A Y H X S+ 0 0 5 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.940 111.1 48.3 -60.0 -48.2 17.8 9.3 46.5 418 418 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.3 0.953 110.5 51.4 -56.4 -50.9 21.4 9.0 45.5 419 419 A A H ><5S+ 0 0 52 -4,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.870 103.8 58.4 -53.7 -40.0 22.0 6.5 48.4 420 420 A D H 3<5S+ 0 0 128 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.816 108.1 47.3 -59.6 -30.3 19.0 4.5 47.1 421 421 A W T <<5S- 0 0 82 -3,-1.3 -1,-0.3 -4,-1.2 -2,-0.2 0.183 126.1-103.3 -95.6 14.9 21.0 4.2 43.9 422 422 A G T < 5S+ 0 0 64 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.556 79.7 132.9 77.4 7.6 24.2 3.2 45.7 423 423 A I < + 0 0 10 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.812 27.8 173.2 -99.6 133.4 25.8 6.7 45.3 424 424 A T + 0 0 93 -2,-0.5 2,-0.3 -3,-0.1 -9,-0.0 -0.930 5.6 176.3-135.3 154.4 27.4 8.4 48.3 425 425 A F - 0 0 38 -2,-0.3 3,-0.1 1,-0.1 6,-0.0 -0.982 19.5-160.2-155.1 160.8 29.5 11.5 48.9 426 426 A R S S+ 0 0 192 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.766 70.8 39.2-115.6 -40.4 31.1 13.5 51.7 427 427 A E S > S- 0 0 110 1,-0.1 3,-2.4 0, 0.0 4,-0.3 -0.851 77.7-113.8-119.0 154.9 31.8 17.1 50.6 428 428 A E G > S+ 0 0 66 -2,-0.3 3,-2.0 1,-0.3 -25,-0.1 0.816 112.6 64.9 -49.8 -38.7 29.9 19.7 48.5 429 429 A E G 3 S+ 0 0 74 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.733 99.4 56.5 -60.0 -20.6 32.6 19.6 45.8 430 430 A E G <> S+ 0 0 65 -3,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.549 82.6 85.0 -88.0 -9.1 31.6 16.0 45.2 431 431 A V H <> S+ 0 0 0 -3,-2.0 4,-2.6 -4,-0.3 5,-0.2 0.921 86.8 53.0 -60.4 -44.9 27.9 16.7 44.6 432 432 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.927 113.1 45.1 -57.1 -42.9 28.4 17.5 40.8 433 433 A W H > S+ 0 0 14 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.852 110.0 54.1 -69.3 -34.4 30.2 14.1 40.4 434 434 A A H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.936 111.5 45.3 -64.7 -45.3 27.6 12.3 42.4 435 435 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.849 109.2 54.4 -67.6 -34.3 24.8 13.6 40.2 436 436 A M H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.883 108.6 50.9 -65.8 -36.3 26.7 12.9 37.0 437 437 A H H X S+ 0 0 45 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.925 107.0 53.0 -65.7 -44.9 27.1 9.3 38.2 438 438 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 3,-0.2 0.920 109.7 48.7 -56.6 -44.8 23.3 9.1 38.9 439 439 A G H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 5,-0.2 0.868 110.4 51.1 -64.1 -35.3 22.6 10.2 35.3 440 440 A M H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.774 107.8 52.6 -73.2 -25.8 25.1 7.7 34.0 441 441 A K H < S+ 0 0 72 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.703 96.6 95.5 -80.1 -20.3 23.4 4.9 35.9 442 442 A S S < S- 0 0 1 -4,-1.1 -63,-0.1 -3,-0.2 -3,-0.1 -0.001 88.5-112.1 -66.5 172.7 20.0 5.9 34.4 443 443 A V S S+ 0 0 60 -65,-0.3 -56,-0.1 -438,-0.0 -1,-0.1 0.537 77.0 122.0 -84.0 -7.2 18.3 4.4 31.4 444 444 A A - 0 0 0 -5,-0.2 -58,-0.2 1,-0.1 -56,-0.1 -0.357 61.9-141.6 -58.5 129.7 18.8 7.7 29.4 445 445 A R S S+ 0 0 70 -60,-2.7 -439,-2.5 -58,-0.4 2,-0.4 0.931 84.2 36.7 -61.1 -46.8 20.7 6.9 26.3 446 446 A L E -ag 6 388A 0 -59,-1.4 -57,-2.6 -61,-0.3 2,-0.5 -0.894 59.9-173.0-114.1 140.8 22.8 10.1 26.5 447 447 A A E -ag 7 389A 0 -441,-1.0 -439,-2.4 -2,-0.4 2,-0.4 -0.998 12.7-176.1-126.3 120.0 24.2 11.9 29.5 448 448 A V E -a 8 0A 1 -59,-2.1 -57,-0.4 -2,-0.5 -439,-0.3 -0.983 2.8-168.2-123.7 130.5 25.7 15.2 28.7 449 449 A Y E -a 9 0A 0 -441,-1.9 -439,-2.7 -2,-0.4 -404,-0.1 -0.942 23.6-119.0-124.6 138.6 27.4 17.4 31.2 450 450 A P E >> -a 10 0A 10 0, 0.0 3,-1.7 0, 0.0 4,-1.1 -0.453 28.8-122.7 -68.7 142.0 28.7 21.0 31.2 451 451 A V H 3> S+ 0 0 0 -441,-2.0 4,-2.0 1,-0.3 5,-0.2 0.802 108.0 70.8 -56.8 -27.8 32.4 21.2 31.8 452 452 A Q H 34>S+ 0 0 19 1,-0.2 5,-2.5 -442,-0.2 4,-0.4 0.832 99.6 46.8 -59.0 -32.2 31.7 23.4 34.8 453 453 A D H <45S+ 0 0 0 -3,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.838 105.6 56.9 -79.4 -32.4 30.4 20.4 36.7 454 454 A V H <5S+ 0 0 1 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.1 40.4 -61.6 -37.3 33.3 18.2 35.7 455 455 A L T <5S- 0 0 21 -4,-2.0 -1,-0.2 -23,-0.0 -2,-0.2 0.567 107.1-132.9 -85.5 -11.6 35.4 20.9 37.3 456 456 A A T 5 + 0 0 19 -4,-0.4 -3,-0.2 -5,-0.2 2,-0.2 0.906 43.4 170.9 58.3 44.6 33.0 21.3 40.2 457 457 A L < - 0 0 35 -5,-2.5 -57,-0.6 1,-0.1 -56,-0.6 -0.510 25.3-123.0 -84.8 155.0 33.1 25.1 39.9 458 458 A G > - 0 0 1 -58,-0.2 3,-2.4 -2,-0.2 4,-0.1 0.016 45.9 -65.8 -84.5-166.4 30.7 27.4 41.8 459 459 A S G > S+ 0 0 50 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.717 121.6 75.6 -53.7 -25.7 28.2 30.1 40.7 460 460 A E G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -63,-0.0 -3,-0.0 0.783 96.1 49.3 -60.7 -24.1 31.1 32.2 39.4 461 461 A A G < S+ 0 0 3 -3,-2.4 -1,-0.3 14,-0.1 -2,-0.2 0.321 77.2 135.1 -98.1 7.0 31.3 29.9 36.4 462 462 A R < - 0 0 37 -3,-1.8 13,-0.3 1,-0.1 12,-0.3 -0.335 46.2-151.1 -55.8 133.2 27.6 30.0 35.6 463 463 A M S S+ 0 0 9 -67,-0.4 10,-3.3 1,-0.3 11,-0.5 0.951 72.7 7.3 -75.3 -51.9 27.2 30.4 31.8 464 464 A N - 0 0 16 -70,-1.5 -1,-0.3 -68,-0.4 8,-0.1 -0.997 53.8-165.1-137.5 137.8 23.9 32.3 31.6 465 465 A Y > - 0 0 109 -2,-0.4 3,-2.0 3,-0.2 2,-0.2 -0.898 27.6-134.4-120.2 96.8 21.7 33.7 34.3 466 466 A P T 3 S+ 0 0 67 0, 0.0 -2,-0.0 0, 0.0 -71,-0.0 -0.337 92.9 18.3 -54.4 114.2 18.2 34.4 32.8 467 467 A G T 3 S+ 0 0 78 1,-0.4 -3,-0.0 -2,-0.2 0, 0.0 -0.088 90.9 118.2 114.9 -34.6 17.3 37.9 34.0 468 468 A R < - 0 0 84 -3,-2.0 -1,-0.4 1,-0.1 -3,-0.2 -0.560 61.9-140.8 -70.0 122.3 20.7 39.0 35.0 469 469 A P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.636 72.9 7.1 -58.1 -22.1 21.6 42.1 32.9 470 470 A S S S+ 0 0 85 1,-0.1 -5,-0.1 -5,-0.1 -2,-0.0 -0.960 92.6 63.4-155.4 173.4 25.3 41.2 32.3 471 471 A G > + 0 0 49 -2,-0.3 3,-0.5 1,-0.3 2,-0.2 0.578 69.7 137.2 84.2 10.3 28.0 38.7 32.8 472 472 A N T 3 + 0 0 20 1,-0.2 -1,-0.3 -417,-0.1 -8,-0.2 -0.589 61.5 14.3 -92.4 154.1 26.4 36.1 30.6 473 473 A W T 3 S+ 0 0 11 -10,-3.3 -1,-0.2 -2,-0.2 -9,-0.1 0.720 97.9 108.9 60.3 24.9 28.1 33.8 28.0 474 474 A A < + 0 0 13 -3,-0.5 -379,-2.7 -11,-0.5 -2,-0.1 0.680 34.8 116.3-106.3 -21.0 31.5 34.8 29.5 475 475 A W B -H 94 0B 21 -13,-0.3 2,-0.3 -381,-0.2 -381,-0.3 -0.111 38.3-177.4 -54.5 146.1 33.0 31.9 31.3 476 476 A R - 0 0 14 -383,-1.6 -460,-0.2 -384,-0.1 -461,-0.1 -0.994 26.5-117.0-145.9 148.6 36.2 30.3 30.1 477 477 A L - 0 0 9 -462,-3.1 -384,-0.3 -2,-0.3 -459,-0.2 -0.430 32.3-123.8 -76.6 156.7 38.5 27.4 31.0 478 478 A L > - 0 0 70 -461,-0.1 3,-2.4 -2,-0.1 4,-0.4 -0.740 42.6 -81.4 -99.9 153.5 42.0 28.2 32.2 479 479 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -463,-0.0 -0.341 117.6 2.8 -55.9 126.3 44.9 26.6 30.3 480 480 A G T 3 S+ 0 0 70 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.421 92.8 124.0 77.6 -2.2 45.4 23.1 31.7 481 481 A E < + 0 0 50 -3,-2.4 2,-1.2 1,-0.2 -1,-0.1 0.901 64.6 63.1 -58.3 -42.9 42.3 23.4 34.0 482 482 A L S S- 0 0 28 -4,-0.4 -1,-0.2 3,-0.0 -2,-0.1 -0.727 86.4-166.8 -85.3 98.5 40.7 20.3 32.5 483 483 A S > - 0 0 23 -2,-1.2 4,-1.5 1,-0.1 3,-0.3 -0.342 36.0-110.6 -87.1 166.1 43.4 17.7 33.5 484 484 A P H > S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.817 118.9 62.2 -62.5 -30.1 43.9 14.1 32.3 485 485 A E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.909 100.7 51.0 -61.4 -44.0 42.8 13.1 35.8 486 486 A H H > S+ 0 0 41 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.892 110.5 51.0 -59.6 -39.1 39.4 14.6 35.2 487 487 A G H X S+ 0 0 4 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.898 107.8 50.7 -65.7 -42.1 39.3 12.6 32.0 488 488 A A H X S+ 0 0 58 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.840 108.1 53.5 -66.4 -32.9 40.2 9.4 33.7 489 489 A R H X S+ 0 0 117 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.936 111.1 45.2 -66.6 -46.2 37.4 9.9 36.3 490 490 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.913 112.8 52.0 -62.1 -43.9 34.8 10.4 33.5 491 491 A R H X S+ 0 0 94 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.928 109.8 47.9 -60.0 -45.8 36.2 7.4 31.7 492 492 A A H X S+ 0 0 60 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.877 112.8 49.1 -63.8 -37.7 36.0 5.2 34.8 493 493 A M H < S+ 0 0 24 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.898 113.2 46.3 -67.9 -41.5 32.4 6.3 35.5 494 494 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-1.1 0.900 111.1 53.9 -66.3 -40.7 31.4 5.7 31.9 495 495 A E H ><5S+ 0 0 125 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.832 107.3 50.4 -63.1 -33.2 33.1 2.3 32.0 496 496 A A T 3<5S+ 0 0 77 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.510 113.1 46.5 -84.7 -4.4 31.1 1.3 35.1 497 497 A T T < 5S- 0 0 8 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.173 113.6-106.6-123.3 18.2 27.8 2.3 33.5 498 498 A E T < 5S+ 0 0 156 -3,-0.6 -3,-0.2 -4,-0.2 -4,-0.1 0.907 87.6 116.5 58.5 44.8 28.1 0.7 30.1 499 499 A R < 0 0 0 -5,-2.5 -492,-0.5 -8,-0.1 -4,-0.2 0.255 360.0 360.0-121.6 7.1 28.6 4.0 28.3 500 500 A L 0 0 95 -6,-0.6 -459,-0.1 -494,-0.1 -495,-0.1 -0.515 360.0 360.0 -77.8 360.0 32.1 3.4 27.0