==== 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 02-SEP-04 1XCL . COMPND 2 MOLECULE: GUANIDINOACETATE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.KOMOTO,T.YAMADA,Y.TAKATA,F.TAKUSAGAWA . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 0 2 0 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 7 A P 0 0 150 0, 0.0 3,-0.0 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 125.7 -5.6 -11.3 -0.0 2 8 A L + 0 0 25 212,-0.2 2,-0.4 1,-0.1 213,-0.0 0.856 360.0 32.6 -53.1 -36.6 -4.0 -7.9 0.0 3 9 A F S S- 0 0 3 131,-0.1 -1,-0.1 29,-0.0 3,-0.1 -0.978 79.1-136.1-127.1 134.0 -7.5 -6.5 -0.2 4 10 A A > - 0 0 54 -2,-0.4 3,-2.3 1,-0.1 130,-0.2 -0.599 52.9 -76.9 -82.3 147.9 -10.7 -7.9 1.2 5 11 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.132 116.6 5.6 -46.0 134.0 -13.7 -7.7 -1.3 6 12 A G T 3 S+ 0 0 47 1,-0.2 129,-0.1 -3,-0.1 -2,-0.0 0.373 92.7 161.1 72.2 -7.4 -15.2 -4.2 -1.6 7 13 A E < - 0 0 49 -3,-2.3 127,-3.0 126,-0.1 128,-0.6 -0.103 18.8-173.6 -49.2 140.3 -12.5 -2.8 0.6 8 14 A D B +A 133 0A 100 125,-0.3 125,-0.3 126,-0.1 4,-0.2 -0.939 19.9 171.1-142.5 113.8 -11.8 0.9 0.5 9 15 A C > + 0 0 5 123,-4.0 4,-1.6 -2,-0.4 124,-0.2 0.244 54.7 106.2-102.4 8.8 -9.0 2.6 2.4 10 16 A G H >> S+ 0 0 28 122,-0.4 3,-0.8 1,-0.2 4,-0.5 0.961 78.9 40.7 -53.6 -65.0 -9.6 5.9 0.6 11 17 A P H 34 S+ 0 0 119 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.785 121.0 44.8 -57.4 -28.9 -11.3 7.9 3.5 12 18 A A H 3> S+ 0 0 45 -4,-0.2 4,-1.1 1,-0.1 -2,-0.2 0.612 89.4 86.4 -93.0 -13.0 -8.8 6.5 6.1 13 19 A W H << S+ 0 0 2 -4,-1.6 3,-0.3 -3,-0.8 73,-0.2 0.878 83.4 53.9 -56.4 -47.6 -5.5 6.9 4.2 14 20 A R T < S+ 0 0 149 -4,-0.5 72,-2.8 1,-0.2 73,-0.4 0.923 120.8 30.1 -55.4 -48.7 -4.6 10.5 5.0 15 21 A A T 4 S+ 0 0 81 -4,-0.3 -1,-0.2 70,-0.2 -2,-0.2 0.460 91.5 114.9 -92.6 -2.9 -4.9 10.0 8.8 16 22 A A S < S- 0 0 7 -4,-1.1 71,-0.4 -3,-0.3 70,-0.1 -0.479 78.5-103.1 -67.7 133.6 -3.9 6.4 8.9 17 23 A P - 0 0 108 0, 0.0 2,-0.9 0, 0.0 13,-0.4 -0.314 24.7-134.4 -60.9 140.6 -0.5 6.0 10.7 18 24 A A - 0 0 21 11,-0.1 2,-0.9 -3,-0.1 11,-0.2 -0.828 22.4-159.0 -96.7 96.7 2.5 5.4 8.5 19 25 A A E +B 28 0B 56 9,-2.7 9,-2.4 -2,-0.9 2,-0.6 -0.687 14.2 179.5 -87.1 105.5 4.4 2.5 10.2 20 26 A Y E -B 27 0B 42 -2,-0.9 7,-0.2 7,-0.2 -2,-0.0 -0.908 31.7-125.2 -99.5 119.7 8.1 2.4 9.2 21 27 A D > - 0 0 56 5,-1.5 3,-2.3 -2,-0.6 5,-0.2 -0.147 28.9 -96.2 -63.3 164.5 9.6 -0.6 11.1 22 28 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.556 126.0 48.6 -60.1 -8.2 12.7 -0.0 13.3 23 29 A S T 3 S- 0 0 79 3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.488 105.7-128.0-107.4 -6.4 15.0 -1.1 10.5 24 30 A D S < S+ 0 0 52 -3,-2.3 -2,-0.1 2,-0.2 3,-0.1 0.970 76.4 119.0 56.6 53.1 13.4 1.1 8.0 25 31 A T S S+ 0 0 43 1,-0.3 12,-2.2 11,-0.1 13,-0.4 0.390 70.1 37.5-123.0 -6.7 13.0 -1.8 5.6 26 32 A H E - C 0 36B 50 10,-0.2 -5,-1.5 -5,-0.2 2,-0.4 -0.993 57.4-158.8-147.7 149.9 9.1 -1.8 5.5 27 33 A L E -BC 20 35B 1 8,-2.3 8,-1.6 -2,-0.3 7,-1.1 -0.997 18.5-175.4-130.2 122.3 6.3 0.8 5.4 28 34 A Q E +BC 19 33B 89 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.4 -0.968 8.4 174.9-124.7 139.4 2.9 -0.3 6.5 29 35 A I E > S- C 0 32B 1 3,-1.5 3,-2.3 -2,-0.4 -11,-0.1 -0.987 72.9 -7.9-144.1 130.1 -0.4 1.6 6.4 30 36 A L T 3 S- 0 0 69 -13,-0.4 -12,-0.1 -2,-0.4 -1,-0.1 0.812 127.7 -58.1 52.6 36.0 -3.9 0.2 7.3 31 37 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.511 110.4 126.1 76.5 3.8 -2.4 -3.3 7.4 32 38 A K E < -C 29 0B 20 -3,-2.3 -3,-1.5 1,-0.0 2,-1.5 -0.721 66.8-126.7 -97.3 142.1 -1.2 -3.1 3.9 33 39 A P E +C 28 0B 9 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.706 41.1 166.0 -88.2 92.5 2.4 -3.7 2.8 34 40 A V E + 0 0 9 -2,-1.5 2,-0.3 -7,-1.1 -6,-0.2 0.874 57.6 7.3 -75.9 -43.4 2.9 -0.4 0.9 35 41 A M E -C 27 0B 1 -8,-1.6 -8,-2.3 28,-0.1 2,-0.4 -1.000 56.1-171.9-146.4 145.1 6.7 -0.3 0.5 36 42 A E E > -C 26 0B 8 -2,-0.3 3,-1.7 -10,-0.2 -10,-0.2 -0.999 27.8-131.8-139.8 134.8 9.7 -2.6 1.1 37 43 A R G > S+ 0 0 88 -12,-2.2 3,-1.8 -2,-0.4 -11,-0.1 0.669 95.4 78.7 -58.5 -21.0 13.4 -1.8 0.8 38 44 A W G 3 S+ 0 0 40 -13,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.731 83.2 65.7 -62.6 -20.2 14.2 -4.9 -1.3 39 45 A E G X> + 0 0 5 -3,-1.7 4,-2.6 1,-0.2 3,-1.7 0.515 67.7 114.1 -79.0 -3.6 12.9 -3.0 -4.4 40 46 A T H <> S+ 0 0 37 -3,-1.8 4,-2.6 1,-0.3 5,-0.2 0.797 73.2 49.9 -34.1 -52.8 15.7 -0.5 -4.1 41 47 A P H 3> S+ 0 0 60 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.871 115.7 43.5 -61.2 -35.0 17.4 -1.6 -7.4 42 48 A Y H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.899 111.6 52.6 -75.6 -42.7 14.0 -1.4 -9.2 43 49 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 -3,-0.2 0.922 109.6 50.2 -57.2 -43.7 13.1 2.0 -7.6 44 50 A H H X S+ 0 0 63 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.3 0.828 106.5 56.4 -64.6 -29.8 16.4 3.3 -8.7 45 51 A S H X S+ 0 0 35 -4,-0.9 4,-1.1 -5,-0.2 -2,-0.2 0.927 109.0 45.0 -66.4 -44.9 15.6 2.0 -12.2 46 52 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.885 113.3 52.0 -66.2 -37.8 12.4 4.1 -12.2 47 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.918 106.0 51.2 -64.6 -47.9 14.3 7.1 -10.9 48 54 A A H < S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 114.4 47.5 -61.2 -27.8 17.0 7.1 -13.5 49 55 A A H >< S+ 0 0 12 -4,-1.1 3,-1.4 -5,-0.2 -2,-0.2 0.931 111.6 46.6 -78.2 -49.2 14.3 6.9 -16.1 50 56 A A H 3< S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.3 108,-0.2 0.751 118.4 43.9 -63.8 -26.5 12.1 9.7 -14.7 51 57 A A T >< S+ 0 0 5 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.3 0.299 81.0 104.9-101.9 7.2 15.2 11.9 -14.3 52 58 A S T < S+ 0 0 59 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.562 84.2 45.3 -66.5 -8.3 16.7 11.1 -17.7 53 59 A R T 3 S- 0 0 108 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.486 96.9-147.5-111.0 -4.8 15.7 14.5 -19.0 54 60 A G < + 0 0 13 -3,-1.2 -1,-0.3 1,-0.1 22,-0.2 -0.412 60.4 83.0 69.2-153.1 16.8 16.6 -16.1 55 61 A G E S+d 76 0C 9 20,-0.5 22,-3.0 68,-0.1 23,-2.1 -0.307 94.5 0.8 65.0-136.7 14.6 19.7 -15.5 56 62 A R E -d 78 0C 47 21,-0.2 67,-1.5 20,-0.2 68,-1.4 -0.812 64.5-170.0 -97.3 120.7 11.4 19.3 -13.6 57 63 A V E -de 79 124C 0 21,-2.9 23,-2.7 -2,-0.6 2,-0.5 -0.900 7.8-158.9-111.4 132.7 10.5 16.0 -12.2 58 64 A L E -de 80 125C 0 66,-2.6 68,-2.7 -2,-0.4 2,-0.5 -0.943 9.6-170.3-108.9 128.4 7.1 15.1 -10.7 59 65 A E E -de 81 126C 0 21,-2.9 23,-2.4 -2,-0.5 2,-0.7 -0.982 8.5-155.3-122.1 123.7 7.0 12.0 -8.4 60 66 A V E S+de 82 127C 1 66,-2.9 68,-2.3 -2,-0.5 23,-0.2 -0.871 70.2 21.1-103.3 112.3 3.7 10.6 -7.2 61 67 A G - 0 0 0 21,-2.8 22,-0.2 -2,-0.7 67,-0.1 0.494 58.5-160.5 99.8 113.6 3.9 8.7 -3.9 62 68 A F > + 0 0 0 1,-0.1 3,-2.2 169,-0.1 2,-0.4 0.869 31.3 150.5 -92.7 -44.3 6.8 9.3 -1.6 63 69 A G T 3 S- 0 0 0 1,-0.3 -1,-0.1 168,-0.2 -28,-0.1 -0.252 78.5 -7.3 54.5-104.7 6.8 6.1 0.6 64 70 A M T 3 S- 0 0 8 -2,-0.4 -1,-0.3 -28,-0.1 -2,-0.0 0.156 89.8-118.8-112.3 17.0 10.3 5.3 1.7 65 71 A A S <> S+ 0 0 9 -3,-2.2 4,-1.9 1,-0.1 -2,-0.1 0.701 75.5 127.5 54.2 26.9 12.1 7.9 -0.4 66 72 A I H > S+ 0 0 6 -4,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.956 79.6 33.1 -77.9 -49.2 14.1 5.2 -2.2 67 73 A A H > S+ 0 0 0 164,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.876 119.4 56.8 -71.2 -35.3 13.2 6.4 -5.7 68 74 A A H > S+ 0 0 0 -6,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.905 104.2 49.5 -61.3 -46.1 13.2 10.0 -4.5 69 75 A S H < S+ 0 0 42 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.811 112.0 50.6 -64.4 -28.7 16.7 9.8 -3.1 70 76 A R H >< S+ 0 0 63 -4,-1.0 3,-0.7 2,-0.2 4,-0.3 0.825 105.0 55.1 -78.4 -31.8 17.8 8.4 -6.5 71 77 A V H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 5,-0.4 0.886 103.8 56.7 -65.5 -38.0 16.1 11.2 -8.4 72 78 A Q T 3< S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.665 95.9 64.7 -68.3 -16.5 18.0 13.7 -6.4 73 79 A Q T < S+ 0 0 140 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.570 91.6 82.4 -83.6 -8.2 21.3 12.1 -7.5 74 80 A A S < S- 0 0 11 -3,-1.6 2,-1.4 -4,-0.3 -22,-0.1 -0.517 100.6 -98.0 -92.8 164.8 20.5 13.1 -11.1 75 81 A P S S+ 0 0 115 0, 0.0 -20,-0.5 0, 0.0 -3,-0.1 -0.068 71.3 152.3 -73.1 33.9 21.2 16.6 -12.7 76 82 A I E -d 55 0C 5 -2,-1.4 -20,-0.2 -5,-0.4 3,-0.1 -0.111 40.6-155.1 -61.6 162.5 17.6 17.5 -12.1 77 83 A K E S+ 0 0 125 -22,-3.0 25,-0.7 1,-0.4 2,-0.3 0.736 74.7 11.0-108.8 -41.8 16.4 21.1 -11.5 78 84 A E E -df 56 102C 28 -23,-2.1 -21,-2.9 23,-0.1 2,-0.5 -0.997 56.1-156.8-142.6 144.9 13.2 20.7 -9.5 79 85 A H E -df 57 103C 0 23,-3.6 25,-2.2 -2,-0.3 2,-0.5 -0.856 11.3-171.4-127.0 94.7 11.6 17.8 -7.7 80 86 A W E -df 58 104C 40 -23,-2.7 -21,-2.9 -2,-0.5 2,-0.5 -0.739 10.6-168.7 -86.0 125.1 7.8 18.1 -7.2 81 87 A I E -df 59 105C 0 23,-2.2 25,-3.4 -2,-0.5 2,-0.5 -0.954 12.3-157.6-126.2 124.4 6.4 15.4 -5.0 82 88 A I E +df 60 106C 3 -23,-2.4 -21,-2.8 -2,-0.5 2,-0.3 -0.823 21.7 161.8 -98.6 129.9 2.8 14.4 -4.3 83 89 A E E - f 0 107C 1 23,-2.1 25,-1.9 -2,-0.5 26,-0.1 -0.943 19.9-175.2-150.1 125.8 1.9 12.6 -1.1 84 90 A C + 0 0 9 -2,-0.3 2,-0.4 23,-0.3 25,-0.2 0.735 58.2 91.3 -95.1 -25.5 -1.4 12.2 0.7 85 91 A N > - 0 0 0 1,-0.2 4,-2.5 23,-0.1 5,-0.2 -0.587 67.4-144.0 -76.0 130.5 -0.7 10.3 3.9 86 92 A D H > S+ 0 0 54 -72,-2.8 4,-1.5 -2,-0.4 -1,-0.2 0.903 98.5 49.8 -59.4 -45.1 0.0 12.7 6.8 87 93 A G H > S+ 0 0 31 -73,-0.4 4,-1.3 -71,-0.4 -1,-0.2 0.901 113.6 45.2 -62.2 -41.1 2.7 10.6 8.4 88 94 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.890 107.9 56.8 -69.4 -41.3 4.6 10.1 5.1 89 95 A F H X S+ 0 0 18 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.856 103.9 54.6 -59.3 -34.3 4.4 13.7 4.1 90 96 A Q H X S+ 0 0 99 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.913 108.1 48.8 -65.7 -39.4 6.1 14.5 7.4 91 97 A R H X S+ 0 0 74 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.910 110.8 50.9 -64.1 -40.2 8.8 12.1 6.4 92 98 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.854 109.6 50.8 -64.3 -36.1 8.9 13.9 3.0 93 99 A Q H X S+ 0 0 92 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.889 111.5 46.3 -69.7 -39.9 9.2 17.3 4.8 94 100 A N H < S+ 0 0 96 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.881 117.1 46.7 -67.4 -39.7 12.1 16.0 7.0 95 101 A W H >< S+ 0 0 16 -4,-2.4 3,-1.5 1,-0.2 4,-0.5 0.907 101.8 60.1 -69.5 -47.3 13.8 14.6 3.9 96 102 A A H >< S+ 0 0 21 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.796 92.2 73.1 -54.1 -29.5 13.4 17.6 1.5 97 103 A L T 3< S+ 0 0 151 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.830 102.0 38.5 -55.4 -37.3 15.4 19.6 4.0 98 104 A K T < S+ 0 0 141 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.411 89.7 119.3 -98.1 2.1 18.7 17.9 3.1 99 105 A Q < - 0 0 34 -3,-1.2 4,-0.1 -4,-0.5 -30,-0.0 -0.417 57.7-143.1 -75.2 142.4 18.1 17.5 -0.7 100 106 A P S S+ 0 0 95 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.789 83.5 54.3 -70.8 -32.8 20.5 19.1 -3.3 101 107 A H S S- 0 0 52 1,-0.1 -23,-0.1 -29,-0.0 -24,-0.1 -0.870 104.9 -82.9-109.8 144.4 17.8 20.0 -5.8 102 108 A K E -f 78 0C 124 -25,-0.7 -23,-3.6 -2,-0.4 2,-0.5 -0.096 44.3-158.4 -48.3 123.0 14.7 22.1 -5.2 103 109 A V E -f 79 0C 26 -25,-0.2 -23,-0.2 -7,-0.2 -1,-0.1 -0.912 9.5-166.8-107.9 129.9 11.9 20.0 -3.7 104 110 A V E -f 80 0C 38 -25,-2.2 -23,-2.2 -2,-0.5 2,-0.5 -0.871 13.8-158.1-117.9 92.7 8.3 21.1 -4.0 105 111 A P E -f 81 0C 50 0, 0.0 2,-0.6 0, 0.0 -23,-0.2 -0.625 6.6-168.1 -77.4 122.6 6.3 18.9 -1.6 106 112 A L E -f 82 0C 34 -25,-3.4 -23,-2.1 -2,-0.5 2,-0.3 -0.927 8.6-151.2-116.4 107.1 2.6 18.8 -2.4 107 113 A K E +f 83 0C 76 -2,-0.6 -23,-0.3 -25,-0.2 2,-0.2 -0.583 52.2 54.3 -80.0 134.6 0.3 17.2 0.2 108 114 A G S S- 0 0 12 -25,-1.9 2,-0.2 -2,-0.3 -23,-0.1 -0.663 89.6 -47.9 133.3 171.6 -2.8 15.5 -1.0 109 115 A L >> - 0 0 50 -2,-0.2 4,-3.0 -25,-0.2 3,-1.6 -0.499 44.9-128.3 -74.3 144.9 -4.3 12.9 -3.3 110 116 A W H 3> S+ 0 0 16 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.836 112.6 64.9 -63.5 -28.0 -3.0 13.1 -6.9 111 117 A E H 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.740 114.4 30.7 -64.1 -21.9 -6.7 13.1 -7.8 112 118 A E H <4 S+ 0 0 125 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.743 125.6 42.2-104.2 -36.2 -6.9 16.5 -6.0 113 119 A V H >< S+ 0 0 15 -4,-3.0 3,-1.9 1,-0.1 4,-0.2 0.875 102.9 64.1 -81.2 -41.8 -3.4 17.9 -6.5 114 120 A A G >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.3 -3,-0.1 0.862 94.5 60.0 -53.2 -43.6 -2.9 16.9 -10.2 115 121 A P G 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.675 100.0 58.4 -61.9 -13.6 -5.7 19.1 -11.5 116 122 A T G < S+ 0 0 108 -3,-1.9 -2,-0.2 -4,-0.1 -3,-0.1 0.434 90.1 93.4 -94.0 0.1 -3.9 22.2 -10.0 117 123 A L S < S- 0 0 11 -3,-2.0 2,-0.0 -4,-0.2 4,-0.0 -0.733 80.6-109.1 -97.4 140.2 -0.8 21.5 -12.1 118 124 A P > - 0 0 61 0, 0.0 3,-1.1 0, 0.0 4,-0.2 -0.281 35.0-100.0 -67.0 151.0 -0.1 23.1 -15.5 119 125 A D T 3 S+ 0 0 116 1,-0.3 33,-0.3 2,-0.1 32,-0.1 -0.315 105.6 9.5 -64.3 153.4 -0.2 21.2 -18.8 120 126 A G T 3 S+ 0 0 32 31,-3.5 -1,-0.3 33,-0.3 32,-0.2 0.720 87.7 132.3 44.1 34.0 3.2 20.3 -20.1 121 127 A H < + 0 0 45 -3,-1.1 2,-0.5 31,-0.3 32,-0.2 0.702 50.7 72.3 -84.5 -21.8 4.9 21.3 -16.9 122 128 A F E - g 0 153C 0 30,-2.7 32,-2.7 -4,-0.2 -65,-0.2 -0.858 48.4-169.6-115.9 132.0 7.1 18.2 -16.4 123 129 A D E S+ 0 0 34 -67,-1.5 35,-2.1 -2,-0.5 2,-0.3 0.673 88.6 14.8 -76.2 -19.5 10.2 16.8 -18.1 124 130 A G E -eg 57 158C 0 -68,-1.4 -66,-2.6 33,-0.3 2,-0.4 -0.973 63.0-163.4-158.7 140.8 9.7 13.6 -16.2 125 131 A I E -eg 58 159C 0 33,-2.3 35,-2.3 -2,-0.3 2,-0.5 -0.995 0.4-170.0-130.0 132.9 7.0 11.8 -14.2 126 132 A L E -eg 59 160C 0 -68,-2.7 -66,-2.9 -2,-0.4 2,-0.8 -0.958 9.0-168.1-122.8 108.6 7.4 8.9 -11.9 127 133 A Y E +eg 60 161C 0 33,-2.2 35,-1.7 -2,-0.5 2,-0.3 -0.855 25.6 144.7-104.3 104.6 4.2 7.4 -10.7 128 134 A D + 0 0 12 -68,-2.3 35,-0.1 -2,-0.8 2,-0.1 -0.749 21.5 138.2-140.7 94.0 4.4 5.0 -7.8 129 135 A T - 0 0 9 33,-0.4 -68,-0.1 -2,-0.3 12,-0.1 -0.156 47.2-105.3-115.0-162.5 1.4 5.2 -5.6 130 136 A Y - 0 0 4 -2,-0.1 2,-0.3 33,-0.1 -96,-0.1 -0.998 31.8 -99.3-136.7 146.0 -0.7 2.5 -3.8 131 137 A P - 0 0 0 0, 0.0 6,-0.1 0, 0.0 3,-0.0 -0.472 28.9-166.6 -66.0 124.9 -4.2 1.1 -4.5 132 138 A L S S+ 0 0 19 -2,-0.3 -123,-4.0 4,-0.1 -122,-0.4 0.659 70.1 28.2 -85.0 -20.5 -6.6 2.7 -2.1 133 139 A S B S-A 8 0A 20 -125,-0.3 3,-0.3 -124,-0.2 -125,-0.3 -0.924 77.8-117.4-135.9 165.3 -9.5 0.3 -2.8 134 140 A E S > S+ 0 0 63 -127,-3.0 3,-1.1 -2,-0.3 4,-0.3 0.866 115.4 58.3 -68.8 -32.3 -9.9 -3.3 -3.8 135 141 A E T 3 S+ 0 0 155 -128,-0.6 3,-0.2 1,-0.3 -1,-0.2 0.753 109.9 40.6 -67.5 -28.3 -11.7 -2.1 -6.9 136 142 A T T 3> S+ 0 0 19 -3,-0.3 4,-1.9 1,-0.2 3,-0.4 0.178 79.6 114.8-107.7 16.3 -8.7 -0.0 -8.1 137 143 A W T <4 S+ 0 0 25 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.899 92.7 22.8 -49.5 -47.6 -6.1 -2.6 -7.1 138 144 A H T 4 S+ 0 0 62 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.411 129.0 44.1-103.7 1.2 -5.2 -3.1 -10.8 139 145 A T T >> S+ 0 0 56 -3,-0.4 4,-1.5 2,-0.1 3,-0.8 0.598 71.4 98.2-126.1 -9.5 -6.3 0.2 -12.3 140 146 A H H 3X S+ 0 0 7 -4,-1.9 4,-1.6 1,-0.3 5,-0.1 0.817 86.7 54.2 -54.0 -33.9 -5.4 3.3 -10.3 141 147 A Q H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.880 104.2 55.2 -68.2 -35.6 -2.3 4.1 -12.4 142 148 A F H <> S+ 0 0 24 -3,-0.8 4,-3.0 1,-0.2 5,-0.4 0.891 103.8 56.2 -63.4 -37.3 -4.4 4.1 -15.5 143 149 A N H X S+ 0 0 70 -4,-1.5 4,-1.6 1,-0.2 5,-0.2 0.922 112.3 40.7 -61.0 -43.7 -6.7 6.7 -13.9 144 150 A F H X>S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-1.7 0.924 117.6 48.0 -69.9 -45.1 -3.7 9.0 -13.3 145 151 A I H <>S+ 0 0 1 -4,-3.0 5,-1.3 3,-0.2 6,-0.2 0.930 114.7 43.2 -62.5 -49.3 -2.1 8.3 -16.7 146 152 A K H <5S+ 0 0 89 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.886 123.7 38.6 -65.9 -38.8 -5.2 8.7 -18.8 147 153 A T H <5S- 0 0 83 -4,-1.6 -2,-0.2 -5,-0.4 -3,-0.2 0.951 137.3 -3.0 -77.8 -54.1 -6.2 11.8 -16.9 148 154 A H T X5S+ 0 0 9 -4,-3.0 4,-3.5 -5,-0.2 5,-0.3 0.808 108.6 76.2-112.0 -38.8 -3.0 13.7 -16.2 149 155 A A H > - 0 0 89 -32,-2.7 3,-2.7 -2,-0.3 2,-0.5 -0.451 45.2 -83.4 -75.3 156.4 6.3 18.4 -21.6 155 161 A P E 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.493 127.8 23.1 -63.6 115.8 6.9 17.5 -25.3 156 162 A G E 3 S+ 0 0 32 -2,-0.5 2,-0.2 1,-0.4 -2,-0.1 0.533 97.8 133.2 101.4 7.1 10.0 15.3 -25.0 157 163 A G E < - 0 0 0 -3,-2.7 71,-0.6 -35,-0.1 -1,-0.4 -0.547 48.6-133.2 -87.6 158.2 9.1 14.5 -21.4 158 164 A I E -gH 124 227C 5 -35,-2.1 -33,-2.3 -108,-0.2 2,-0.4 -0.916 11.3-156.8-120.4 144.2 9.3 10.9 -20.1 159 165 A L E +gH 125 226C 0 67,-3.9 67,-3.1 -2,-0.4 2,-0.3 -0.947 16.0 166.7-118.8 136.1 6.8 8.9 -18.1 160 166 A T E +g 126 0C 0 -35,-2.3 -33,-2.2 -2,-0.4 2,-0.3 -0.960 9.9 149.7-140.4 154.6 7.6 5.8 -16.0 161 167 A Y E -g 127 0C 0 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.965 20.9-155.4-168.3 179.5 5.5 4.1 -13.3 162 168 A C - 0 0 0 -35,-1.7 -33,-0.4 -2,-0.3 2,-0.2 -0.964 14.6-161.9-167.5 152.5 4.7 0.8 -11.6 163 169 A N > + 0 0 3 -2,-0.3 4,-2.6 -35,-0.1 3,-0.4 -0.734 18.8 172.1-137.7 86.7 1.9 -0.9 -9.7 164 170 A L H > S+ 0 0 9 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.794 75.9 59.4 -70.4 -28.9 3.7 -3.8 -8.0 165 171 A T H 4 S+ 0 0 7 2,-0.2 4,-0.5 3,-0.1 -1,-0.2 0.793 114.5 37.5 -70.0 -27.3 0.7 -4.8 -5.9 166 172 A S H >> S+ 0 0 0 -3,-0.4 4,-1.8 2,-0.1 3,-0.5 0.930 118.6 47.2 -85.2 -54.7 -1.2 -5.4 -9.2 167 173 A W H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.826 107.2 56.4 -56.2 -40.1 1.6 -6.9 -11.2 168 174 A G H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 49,-0.2 0.891 111.3 44.7 -60.2 -39.2 2.7 -9.3 -8.5 169 175 A E H <> S+ 0 0 63 -3,-0.5 4,-2.2 -4,-0.5 3,-0.4 0.793 113.5 50.2 -73.2 -32.4 -0.8 -10.7 -8.5 170 176 A L H X>S+ 0 0 13 -4,-1.8 5,-2.3 1,-0.2 4,-1.8 0.847 108.7 51.8 -74.1 -34.8 -0.9 -10.8 -12.3 171 177 A M H <5S+ 0 0 14 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.472 114.0 47.1 -79.5 -3.7 2.4 -12.6 -12.4 172 178 A K H 45S+ 0 0 103 -3,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.806 121.2 29.3-100.6 -47.2 0.9 -15.1 -9.9 173 179 A S H <5S+ 0 0 69 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.830 137.0 8.1 -85.4 -39.3 -2.4 -15.9 -11.5 174 180 A K T <5S+ 0 0 134 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.775 109.0 57.8-116.1 -35.5 -1.8 -15.4 -15.2 175 181 A Y < + 0 0 35 -5,-2.3 -1,-0.1 1,-0.1 3,-0.1 -0.805 19.4 166.7-118.3 151.5 1.8 -14.8 -16.3 176 182 A T S S+ 0 0 131 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.164 84.1 72.0-125.6 1.3 5.2 -16.4 -16.2 177 183 A D > - 0 0 79 1,-0.1 4,-2.0 2,-0.0 3,-0.3 -0.944 66.3-166.0-122.2 103.5 6.3 -13.8 -18.9 178 184 A I H > S+ 0 0 2 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.826 90.0 51.0 -60.7 -34.0 6.6 -10.3 -17.3 179 185 A T H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.811 108.2 52.4 -74.4 -28.6 6.7 -8.7 -20.8 180 186 A A H > S+ 0 0 22 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.890 108.4 51.2 -73.5 -38.1 3.6 -10.5 -21.9 181 187 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.5 0.958 112.3 46.2 -62.3 -48.8 1.8 -9.3 -18.8 182 188 A F H X>S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 5,-2.1 0.916 113.1 48.0 -58.9 -48.5 2.8 -5.7 -19.5 183 189 A E H <5S+ 0 0 79 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.892 119.8 37.9 -61.4 -42.1 1.9 -5.7 -23.2 184 190 A E H <5S+ 0 0 123 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.819 130.6 25.6 -81.9 -33.5 -1.5 -7.3 -22.6 185 191 A T H <5S+ 0 0 39 -4,-2.8 4,-0.2 -5,-0.2 -3,-0.2 0.685 131.1 30.2-105.0 -24.0 -2.6 -5.6 -19.4 186 192 A Q T >X5S+ 0 0 2 -4,-2.4 4,-1.7 -5,-0.5 3,-0.6 0.837 106.1 62.0-103.3 -46.2 -0.7 -2.3 -19.4 187 193 A V H 3> S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.904 106.9 42.4 -51.8 -46.7 -3.9 -0.9 -23.7 189 195 A A H <> S+ 0 0 6 -3,-0.6 4,-2.0 -4,-0.2 -2,-0.2 0.868 111.7 56.5 -68.0 -35.8 -4.4 1.9 -21.1 190 196 A L H <>S+ 0 0 0 -4,-1.7 5,-1.7 1,-0.2 4,-0.3 0.898 108.7 46.1 -61.9 -41.4 -1.2 3.6 -22.2 191 197 A L H ><5S+ 0 0 69 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.904 109.9 54.2 -68.3 -41.6 -2.5 3.8 -25.7 192 198 A E H 3<5S+ 0 0 137 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.842 101.5 59.9 -60.1 -34.7 -5.9 5.1 -24.5 193 199 A A T 3<5S- 0 0 12 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.600 128.8 -97.5 -70.3 -11.0 -4.0 7.8 -22.6 194 200 A G T < 5S+ 0 0 39 -3,-1.6 -3,-0.2 1,-0.4 2,-0.2 0.293 80.7 130.4 115.8 -13.0 -2.7 9.0 -25.9 195 201 A F < - 0 0 4 -5,-1.7 -1,-0.4 1,-0.1 2,-0.3 -0.512 53.0-126.0 -78.1 144.6 0.8 7.5 -26.1 196 202 A Q > - 0 0 128 31,-0.3 3,-1.1 -2,-0.2 31,-0.2 -0.627 13.9-123.7 -90.4 148.2 1.8 5.6 -29.2 197 203 A R G > S+ 0 0 104 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.835 111.5 60.7 -58.4 -34.3 3.1 2.1 -29.2 198 204 A E G 3 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.0 31,-0.0 0.818 106.6 49.1 -62.3 -29.9 6.3 3.2 -31.0 199 205 A N G < S+ 0 0 7 -3,-1.1 28,-2.1 28,-0.1 2,-0.5 0.134 92.3 86.1 -98.4 17.7 7.0 5.4 -28.0 200 206 A I E < +I 226 0C 3 -3,-1.5 2,-0.2 26,-0.2 26,-0.2 -0.956 52.0 164.0-122.6 116.0 6.5 2.9 -25.2 201 207 A C E -I 225 0C 71 24,-2.8 24,-3.1 -2,-0.5 2,-0.3 -0.682 15.8-161.9-119.4 173.6 9.5 0.8 -24.2 202 208 A T E -I 224 0C 47 22,-0.3 2,-0.4 -2,-0.2 20,-0.0 -0.981 7.7-148.4-155.6 152.0 10.3 -1.3 -21.2 203 209 A E E -I 223 0C 130 20,-1.5 20,-3.0 -2,-0.3 2,-0.4 -0.995 13.3-145.5-129.0 129.9 13.4 -2.8 -19.6 204 210 A V E +I 222 0C 59 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.781 19.0 179.5 -98.6 138.5 13.4 -6.1 -17.7 205 211 A M E -I 221 0C 51 16,-2.5 16,-2.8 -2,-0.4 2,-0.4 -0.961 29.6-113.0-134.9 153.0 15.7 -6.7 -14.8 206 212 A A E +I 220 0C 80 -2,-0.3 14,-0.3 14,-0.2 2,-0.3 -0.712 42.8 154.7 -87.8 131.5 16.3 -9.6 -12.4 207 213 A L - 0 0 25 12,-1.9 -2,-0.1 -2,-0.4 -168,-0.0 -0.824 30.7-148.3-157.5 115.7 15.3 -9.0 -8.8 208 214 A V - 0 0 116 -2,-0.3 10,-0.1 11,-0.1 3,-0.1 -0.790 21.1-139.4 -91.6 113.1 14.4 -11.9 -6.5 209 215 A P - 0 0 15 0, 0.0 -2,-0.0 0, 0.0 8,-0.0 -0.338 27.6 -93.2 -70.6 152.9 11.8 -10.8 -4.0 210 216 A P > - 0 0 45 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.303 29.8-119.6 -64.3 147.4 11.9 -11.9 -0.3 211 217 A A T 3 S+ 0 0 114 1,-0.3 0, 0.0 -3,-0.1 0, 0.0 0.826 114.0 52.3 -57.9 -33.7 10.0 -15.0 0.7 212 218 A D T 3 S+ 0 0 105 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.467 79.4 114.0 -84.2 -1.1 8.0 -12.9 3.2 213 219 A C < - 0 0 10 -3,-1.8 3,-0.2 1,-0.1 -177,-0.0 -0.602 49.7-165.1 -73.8 118.7 6.9 -10.3 0.6 214 220 A R S S+ 0 0 134 -2,-0.5 -212,-0.2 1,-0.2 -1,-0.1 0.529 78.2 44.6 -85.1 -7.0 3.2 -10.7 0.1 215 221 A Y S S+ 0 0 3 1,-0.2 2,-0.3 -213,-0.0 -47,-0.2 0.508 112.7 40.6-114.0 -6.0 2.6 -8.7 -3.1 216 222 A Y + 0 0 1 -3,-0.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.957 39.9 151.2-149.4 127.0 5.5 -9.9 -5.3 217 223 A A + 0 0 65 -2,-0.3 -1,-0.1 -49,-0.2 -49,-0.0 0.464 46.0 109.0-127.6 -11.2 7.0 -13.3 -6.0 218 224 A F - 0 0 33 1,-0.1 -46,-0.1 2,-0.1 -42,-0.0 -0.527 65.4-137.8 -73.7 133.5 8.3 -13.0 -9.6 219 225 A P S S+ 0 0 62 0, 0.0 -12,-1.9 0, 0.0 2,-0.3 0.089 80.1 66.7 -78.6 22.5 12.1 -12.7 -9.8 220 226 A Q E - I 0 206C 76 -14,-0.3 2,-0.3 2,-0.0 -14,-0.2 -0.995 62.1-156.1-144.0 148.6 12.0 -10.0 -12.5 221 227 A M E - I 0 205C 0 -16,-2.8 -16,-2.5 -2,-0.3 2,-0.5 -0.896 11.4-144.8-120.3 151.8 10.9 -6.3 -12.6 222 228 A I E - I 0 204C 0 -2,-0.3 -18,-0.2 -18,-0.2 -2,-0.0 -0.973 4.8-154.6-124.9 125.0 9.8 -4.3 -15.6 223 229 A T E - I 0 203C 3 -20,-3.0 -20,-1.5 -2,-0.5 2,-0.2 -0.844 12.5-144.1-100.0 114.0 10.5 -0.6 -16.2 224 230 A P E - I 0 202C 0 0, 0.0 2,-0.5 0, 0.0 -22,-0.3 -0.517 9.9-166.0 -76.6 141.2 8.2 1.3 -18.4 225 231 A L E + I 0 201C 33 -24,-3.1 -24,-2.8 -2,-0.2 2,-0.5 -0.863 15.7 175.2-129.2 95.1 9.7 4.1 -20.7 226 232 A V E +HI 159 200C 0 -67,-3.1 -67,-3.9 -2,-0.5 2,-0.2 -0.906 4.1 160.1-112.5 122.6 6.9 6.2 -22.0 227 233 A T E -H 158 0C 21 -28,-2.1 -31,-0.3 -2,-0.5 -69,-0.2 -0.706 44.8-129.2-127.3 177.7 7.4 9.4 -24.1 228 234 A K 0 0 41 -71,-0.6 -70,-0.1 -2,-0.2 -29,-0.1 0.580 360.0 360.0-102.3 -15.6 5.5 11.6 -26.6 229 235 A H 0 0 171 -72,-0.3 -1,-0.1 -30,-0.1 -73,-0.0 -0.873 360.0 360.0-143.6 360.0 8.3 11.4 -29.1 230 ! 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 0.0 231 236 A X 0 0 7 0, 0.0 -164,-2.3 0, 0.0 -168,-0.2 0.000 360.0 360.0 360.0 360.0 8.5 5.0 -3.4