==== 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 08-MAR-07 2P2X . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SUGAHARA,N.ONO,M.TAKETA,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUC . 532 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 1 0.2 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 7 1 1 0 3 3 0 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 2 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 . 5 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 0 143 0, 0.0 106,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 73.8 56.8 97.3 57.3 2 2 A V E -ab 79 107A 13 76,-0.7 78,-2.8 104,-0.1 2,-0.5 -0.941 360.0-122.1-149.3 171.1 53.7 97.8 59.4 3 3 A L E -ab 80 108A 0 104,-2.6 106,-2.6 -2,-0.3 2,-0.4 -0.977 20.3-163.2-125.3 124.5 50.7 96.1 61.0 4 4 A Y E -ab 81 109A 38 76,-2.5 78,-3.0 -2,-0.5 2,-0.6 -0.857 7.6-156.9-104.8 135.7 47.1 97.0 60.2 5 5 A F E -ab 82 110A 0 104,-2.6 106,-3.5 -2,-0.4 2,-0.4 -0.961 22.8-172.9-110.5 112.4 44.2 95.9 62.4 6 6 A I E -ab 83 111A 0 76,-2.0 78,-1.5 -2,-0.6 2,-0.3 -0.921 18.6-137.2-116.3 132.3 41.1 96.1 60.2 7 7 A G E -a 84 0A 0 104,-2.0 10,-0.5 -2,-0.4 80,-0.2 -0.606 7.0-162.6 -82.5 141.7 37.4 95.6 61.2 8 8 A L - 0 0 5 76,-2.5 7,-0.4 78,-0.7 2,-0.2 0.650 40.0-122.6 -97.3 -18.5 35.3 93.4 59.0 9 9 A G B -E 86 0B 1 77,-0.8 77,-3.7 75,-0.4 -1,-0.3 -0.500 28.0 -64.3 108.4-177.9 31.9 94.6 60.2 10 10 A L S S+ 0 0 3 75,-0.2 30,-0.4 -2,-0.2 -1,-0.1 0.833 109.5 0.1 -84.4 -37.9 28.8 93.1 61.8 11 11 A Y S S+ 0 0 55 1,-0.3 30,-2.7 199,-0.2 31,-0.2 0.783 115.0 5.8-123.8 -52.9 27.1 90.8 59.2 12 12 A D S > S- 0 0 17 198,-0.2 3,-1.8 29,-0.2 -1,-0.3 -0.765 80.1 -85.6-131.3 179.3 28.7 90.3 55.8 13 13 A E G > S+ 0 0 40 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.695 117.5 67.2 -60.8 -22.0 31.9 91.3 53.8 14 14 A R G 3 S+ 0 0 67 1,-0.2 271,-3.6 270,-0.1 272,-0.3 0.396 80.7 80.1 -80.6 4.6 30.4 94.6 52.7 15 15 A D G < + 0 0 3 -3,-1.8 -1,-0.2 -7,-0.4 2,-0.2 0.336 69.4 101.7 -91.5 6.6 30.5 95.9 56.3 16 16 A I S < S- 0 0 3 -3,-0.9 268,-2.8 97,-0.1 269,-0.3 -0.543 82.9-107.0 -84.2 154.4 34.2 96.7 56.1 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-3.0 95,-0.4 266,-0.3 -0.627 18.8-122.2 -85.3 148.6 35.0 100.4 55.6 18 18 A V H > S+ 0 0 11 264,-2.3 4,-2.5 1,-0.3 5,-0.3 0.895 118.5 55.7 -51.9 -40.5 36.2 101.5 52.1 19 19 A K H > S+ 0 0 17 261,-3.0 4,-1.1 263,-0.4 -1,-0.3 0.936 109.8 45.6 -56.1 -48.2 39.3 102.7 54.0 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.8 92,-0.2 3,-0.3 0.927 113.1 48.8 -62.4 -48.1 39.7 99.2 55.4 21 21 A L H X S+ 0 0 9 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.979 109.2 50.1 -56.3 -62.5 39.2 97.5 52.0 22 22 A E H X S+ 0 0 72 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.731 114.4 47.6 -50.2 -26.2 41.6 99.6 50.0 23 23 A I H < S+ 0 0 27 -4,-1.1 3,-0.3 -3,-0.3 -1,-0.2 0.900 110.4 49.3 -82.2 -45.1 44.2 99.0 52.7 24 24 A A H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.906 106.6 59.3 -59.9 -39.5 43.6 95.3 52.8 25 25 A K H 3< S+ 0 0 72 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.888 106.5 46.0 -55.6 -42.5 43.9 95.2 49.0 26 26 A K T 3< S+ 0 0 164 -4,-0.9 2,-0.3 -3,-0.3 -1,-0.3 0.035 91.2 111.4 -93.2 28.4 47.4 96.6 49.0 27 27 A C < - 0 0 1 -3,-1.6 53,-0.2 1,-0.1 3,-0.1 -0.780 60.7-144.8-104.0 147.5 48.8 94.4 51.8 28 28 A D S S+ 0 0 82 51,-1.7 2,-0.4 -2,-0.3 52,-0.2 0.939 85.8 19.6 -73.5 -48.3 51.4 91.6 51.4 29 29 A Y E -c 80 0A 109 50,-1.3 52,-2.1 24,-0.1 2,-0.5 -0.964 66.3-159.3-126.6 143.9 50.0 89.2 53.9 30 30 A V E +cd 81 55A 5 24,-0.6 26,-1.9 -2,-0.4 52,-0.2 -0.895 12.5 177.1-129.5 105.5 46.5 89.0 55.4 31 31 A F E +cd 82 56A 9 50,-2.9 52,-2.4 -2,-0.5 2,-0.3 -0.424 7.5 168.2 -94.7 173.6 45.8 87.2 58.7 32 32 A A E -cd 83 57A 0 24,-1.2 26,-3.6 50,-0.3 2,-0.3 -0.975 23.1-145.9-170.5 174.8 42.4 86.9 60.5 33 33 A E - 0 0 0 50,-0.7 3,-0.1 -2,-0.3 26,-0.1 -0.950 4.8-171.0-156.2 137.9 40.5 85.3 63.3 34 34 A F + 0 0 60 24,-0.4 50,-0.1 -2,-0.3 5,-0.1 -0.338 66.7 88.8-128.1 49.8 36.8 84.4 63.4 35 35 A Y S S+ 0 0 23 135,-0.1 135,-0.4 3,-0.1 -1,-0.1 0.486 72.8 65.1-121.7 -12.3 36.5 83.3 67.1 36 36 A T S S- 0 0 17 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.693 119.4 -12.9 -85.5 -20.5 35.7 86.6 68.8 37 37 A S - 0 0 5 496,-0.1 2,-0.4 49,-0.0 -1,-0.1 -0.942 69.7-103.0-160.7-174.7 32.4 86.9 67.1 38 38 A L - 0 0 32 -2,-0.3 2,-1.1 -28,-0.1 -3,-0.1 -0.955 10.0-158.0-131.9 119.7 30.2 85.6 64.2 39 39 A M > - 0 0 18 -2,-0.4 3,-1.0 1,-0.1 -28,-0.2 -0.789 14.0-171.3 -92.8 98.4 29.5 87.2 60.9 40 40 A A T 3 S+ 0 0 36 -2,-1.1 -1,-0.1 -30,-0.4 -28,-0.1 0.485 73.0 55.5 -70.9 -2.7 26.3 85.4 60.0 41 41 A G T 3 S+ 0 0 22 -30,-2.7 2,-0.3 -31,-0.1 -28,-0.2 0.257 101.6 37.8-119.7 19.2 26.1 86.7 56.4 42 42 A T < - 0 0 27 -3,-1.0 2,-0.3 -31,-0.2 -3,-0.1 -0.882 59.5-126.4-152.6-177.6 29.3 85.8 54.6 43 43 A T > - 0 0 68 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.900 32.6-112.6-133.9 160.0 32.2 83.3 54.0 44 44 A L H > S+ 0 0 67 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.857 119.9 57.3 -60.4 -31.2 35.9 83.3 54.1 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.944 105.6 47.2 -63.1 -48.4 35.7 82.9 50.3 46 46 A R H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.848 114.0 47.7 -63.6 -35.4 33.6 86.1 49.8 47 47 A I H X S+ 0 0 5 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.974 112.3 48.7 -68.9 -54.0 35.9 88.1 52.0 48 48 A Q H X>S+ 0 0 52 -4,-2.6 4,-2.4 1,-0.2 5,-1.5 0.879 112.0 50.2 -51.2 -43.4 39.0 86.8 50.3 49 49 A K H <5S+ 0 0 181 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.942 112.4 45.8 -61.5 -49.3 37.5 87.6 46.9 50 50 A L H <5S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 119.3 42.0 -60.6 -40.3 36.6 91.1 48.0 51 51 A I H <5S- 0 0 4 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.737 100.0-139.7 -78.6 -25.3 40.0 91.6 49.4 52 52 A G T <5 + 0 0 57 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.900 67.4 99.3 65.1 39.5 41.7 89.9 46.5 53 53 A K S - 0 0 36 -2,-0.2 4,-3.0 -26,-0.1 5,-0.3 -0.563 30.9-102.6-100.7 165.0 43.2 80.4 66.2 60 60 A R H > S+ 0 0 119 1,-0.2 4,-4.1 2,-0.2 5,-0.3 0.939 127.4 45.3 -50.4 -47.3 42.9 82.0 69.6 61 61 A E H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.875 108.9 55.5 -65.5 -36.1 46.0 80.1 70.6 62 62 A D H > S+ 0 0 48 3,-0.2 4,-1.4 2,-0.2 8,-0.3 0.964 119.4 34.1 -59.0 -47.7 47.8 81.1 67.4 63 63 A V H X S+ 0 0 1 -4,-3.0 4,-1.3 3,-0.2 -2,-0.2 0.968 122.9 42.4 -70.5 -58.0 47.0 84.7 68.3 64 64 A E H < S+ 0 0 76 -4,-4.1 -3,-0.2 -5,-0.3 -2,-0.2 0.736 130.6 25.2 -64.5 -25.3 47.3 84.7 72.1 65 65 A L H < S+ 0 0 108 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.502 135.1 23.0-118.7 -7.3 50.4 82.5 72.2 66 66 A N H >X S+ 0 0 58 -4,-1.4 4,-3.5 -5,-0.4 3,-1.5 0.229 74.6 116.4-146.4 20.6 52.2 83.0 68.9 67 67 A F H 3X>S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.3 5,-1.5 0.936 86.1 48.1 -57.2 -47.7 51.1 86.3 67.4 68 68 A E H 345S+ 0 0 75 1,-0.2 -1,-0.3 3,-0.2 -5,-0.1 0.523 119.2 43.1 -69.8 -4.6 54.7 87.6 67.7 69 69 A N H <45S+ 0 0 101 -3,-1.5 -2,-0.2 -7,-0.2 -1,-0.2 0.713 124.9 29.0-108.9 -34.9 55.8 84.3 66.1 70 70 A I H <5S+ 0 0 27 -4,-3.5 -3,-0.2 -8,-0.3 4,-0.2 0.793 135.3 17.2 -96.5 -34.8 53.2 83.9 63.3 71 71 A V T >X5S+ 0 0 0 -4,-2.9 4,-1.3 -5,-0.5 3,-0.8 0.892 113.3 54.0-106.0 -62.3 52.4 87.6 62.5 72 72 A L H 3>4 S+ 0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.912 105.0 43.6 -43.0 -54.0 57.8 88.8 62.0 74 74 A L H X> S+ 0 0 59 -3,-0.8 4,-2.8 1,-0.2 3,-1.8 0.856 101.1 72.1 -61.2 -34.4 56.4 89.3 58.5 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.3 5,-0.2 0.733 90.9 58.7 -54.5 -23.5 55.3 92.8 59.6 76 76 A K T << S+ 0 0 87 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.731 116.6 30.9 -80.4 -22.6 59.0 93.9 59.5 77 77 A E T <4 S+ 0 0 152 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.2 0.688 128.8 19.6-105.4 -25.5 59.5 93.0 55.9 78 78 A N S < S- 0 0 35 -4,-2.8 -76,-0.7 -76,-0.1 2,-0.7 -0.814 84.4 -91.2-137.9 176.2 56.0 93.6 54.5 79 79 A D E -a 2 0A 49 -2,-0.3 -51,-1.7 -78,-0.2 -50,-1.3 -0.837 49.3-165.3 -90.7 114.7 52.7 95.4 55.2 80 80 A V E -ac 3 29A 0 -78,-2.8 -76,-2.5 -2,-0.7 2,-0.4 -0.785 9.3-155.8-106.7 151.2 50.6 92.9 57.2 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-2.9 -2,-0.3 2,-0.6 -0.987 4.7-165.6-129.5 128.2 46.8 93.0 57.8 82 82 A F E -ac 5 31A 0 -78,-3.0 -76,-2.0 -2,-0.4 -50,-0.3 -0.942 16.8-163.9-113.0 108.8 45.0 91.3 60.7 83 83 A L E +ac 6 32A 0 -52,-2.4 -50,-0.7 -2,-0.6 -76,-0.2 -0.572 11.2 173.8 -92.0 156.3 41.2 91.2 60.1 84 84 A T E -a 7 0A 0 -78,-1.5 -76,-2.5 2,-0.2 -75,-0.4 -0.984 37.9 -89.2-155.8 158.3 38.5 90.5 62.7 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.303 92.6 -16.9 -67.1 160.8 34.7 90.6 62.9 86 86 A G B S-E 9 0B 1 -77,-3.7 -77,-0.8 -79,-0.1 -78,-0.7 0.008 127.9 -11.2 41.5-143.1 33.1 93.9 63.9 87 87 A D > - 0 0 0 446,-2.6 3,-1.3 -80,-0.2 25,-0.1 -0.717 66.1-137.2 -86.2 132.9 35.6 96.3 65.4 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.688 98.1 44.7 -64.7 -17.9 38.9 94.8 66.4 89 89 A L T 3 S+ 0 0 7 444,-0.1 2,-0.6 5,-0.1 304,-0.4 0.132 89.7 99.4-113.5 22.6 39.3 96.4 69.8 90 90 A V S < S- 0 0 0 -3,-1.3 26,-0.1 1,-0.2 3,-0.1 -0.935 100.7 -14.0-115.3 118.0 35.8 95.9 71.1 91 91 A A S S+ 0 0 33 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.899 117.8 93.0 61.9 42.4 35.1 93.1 73.5 92 92 A T S S- 0 0 23 -3,-0.2 -1,-0.3 441,-0.1 3,-0.3 -0.940 77.8-129.0-151.2 165.8 38.4 91.5 72.7 93 93 A T S > S+ 0 0 79 -2,-0.3 3,-1.4 1,-0.2 4,-0.4 0.100 75.2 112.4-108.3 23.6 41.9 91.6 74.2 94 94 A H T >> + 0 0 3 -6,-0.4 3,-2.4 1,-0.3 4,-0.6 0.807 59.3 76.3 -63.1 -31.4 43.5 92.4 70.8 95 95 A A H >> S+ 0 0 16 1,-0.3 3,-0.7 -3,-0.3 4,-0.5 0.768 89.8 59.4 -50.8 -26.6 44.4 95.9 72.0 96 96 A E H X> S+ 0 0 55 -3,-1.4 4,-1.2 1,-0.2 3,-0.6 0.759 90.1 69.1 -73.3 -28.1 47.2 94.1 73.9 97 97 A L H <> S+ 0 0 4 -3,-2.4 4,-2.4 -4,-0.4 -1,-0.2 0.722 91.4 62.4 -63.1 -21.2 48.6 92.8 70.6 98 98 A R H S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.4 0.857 110.8 50.4 -42.9 -42.5 53.8 95.0 67.9 102 102 A K H ><5S+ 0 0 97 -4,-2.1 3,-1.8 3,-0.2 -1,-0.2 0.952 109.4 46.5 -63.9 -52.5 55.6 97.9 69.5 103 103 A R H 3<5S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.711 110.3 56.2 -67.3 -17.6 58.1 95.9 71.5 104 104 A A T 3<5S- 0 0 35 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.597 122.0-109.6 -85.1 -9.3 58.8 93.9 68.3 105 105 A G T < 5S+ 0 0 62 -3,-1.8 2,-0.5 -4,-0.4 -3,-0.2 0.878 73.7 135.2 83.9 41.4 59.6 97.2 66.6 106 106 A V < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.898 50.9-136.6-132.9 111.9 56.5 97.2 64.4 107 107 A E E -b 2 0A 128 -106,-0.5 -104,-2.6 -2,-0.5 2,-0.3 -0.311 28.2-163.9 -58.9 139.2 54.3 100.3 63.7 108 108 A S E -b 3 0A 12 -106,-0.2 2,-0.3 -10,-0.0 -104,-0.2 -0.963 11.2-166.6-131.8 149.5 50.6 99.4 63.9 109 109 A Y E -b 4 0A 51 -106,-2.6 -104,-2.6 -2,-0.3 2,-0.5 -0.944 12.6-139.1-132.6 154.1 47.4 101.1 62.8 110 110 A V E -b 5 0A 7 -2,-0.3 2,-0.6 367,-0.2 -104,-0.2 -0.959 10.2-170.6-120.4 125.5 43.7 100.5 63.5 111 111 A I E -b 6 0A 2 -106,-3.5 -104,-2.0 -2,-0.5 -94,-0.1 -0.954 21.9-144.5-114.0 115.6 40.9 100.7 61.0 112 112 A H - 0 0 7 -2,-0.6 -95,-0.4 -106,-0.2 -105,-0.2 -0.065 16.4-173.9 -73.5 174.6 37.4 100.6 62.7 113 113 A A - 0 0 0 -97,-0.1 268,-0.3 266,-0.1 266,-0.1 -0.962 46.1 -60.7-160.0 161.0 34.2 99.0 61.5 114 114 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -105,-0.2 -0.222 58.4-157.6 -51.8 137.1 30.6 98.9 62.7 115 115 A S >> - 0 0 0 264,-0.3 4,-2.3 -29,-0.2 3,-1.4 -0.933 28.0-128.7-123.2 145.0 30.5 97.3 66.2 116 116 A I H 3> S+ 0 0 0 -2,-0.4 4,-1.0 1,-0.3 -1,-0.1 0.814 107.3 69.6 -58.1 -27.8 27.7 95.6 68.1 117 117 A Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.845 113.6 24.8 -59.9 -35.3 28.5 98.0 70.9 118 118 A S H X4 S+ 0 0 0 -3,-1.4 3,-1.6 1,-0.1 -1,-0.2 0.656 109.0 74.4-103.3 -18.5 27.2 101.0 69.0 119 119 A A H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 4,-0.2 0.684 75.1 81.5 -65.6 -21.2 24.8 99.0 66.7 120 120 A V G ><>S+ 0 0 1 -4,-1.0 3,-2.3 1,-0.3 5,-0.5 0.680 70.6 84.8 -56.9 -14.9 22.5 98.7 69.8 121 121 A G G X 5S+ 0 0 2 -3,-1.6 3,-2.4 1,-0.3 -1,-0.3 0.879 75.1 67.9 -54.9 -35.5 21.4 102.2 68.8 122 122 A I G < 5S+ 0 0 5 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.636 85.6 70.9 -60.0 -14.4 19.0 100.6 66.3 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.660 110.1-119.6 -78.5 -15.3 17.1 99.3 69.4 124 124 A G T < 5S+ 0 0 7 -3,-2.4 2,-0.3 1,-0.4 125,-0.2 0.299 72.2 129.2 95.6 -11.6 15.9 102.8 70.1 125 125 A L < - 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0 0 2 -9,-1.4 58,-0.5 -2,-0.5 2,-0.2 -0.199 24.7-144.2 -50.9 130.2 24.5 81.3 72.7 177 177 A T > - 0 0 28 1,-0.1 4,-2.1 56,-0.1 5,-0.1 -0.499 24.2-108.8 -94.8 168.4 21.1 82.6 71.8 178 178 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.790 121.4 54.8 -64.9 -26.6 19.0 85.3 73.6 179 179 A N H > S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.954 106.7 47.5 -70.4 -50.9 16.8 82.5 74.8 180 180 A E H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.879 111.7 52.9 -56.4 -40.0 19.6 80.5 76.3 181 181 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.920 110.1 46.8 -63.2 -45.2 20.8 83.7 78.0 182 182 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.955 110.6 52.3 -61.7 -50.5 17.4 84.4 79.5 183 183 A E H X S+ 0 0 87 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.901 111.1 47.9 -50.8 -46.7 17.1 80.7 80.7 184 184 A L H X S+ 0 0 22 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 109.2 53.2 -63.2 -42.3 20.5 81.0 82.4 185 185 A L H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.898 106.0 52.9 -61.1 -42.0 19.5 84.4 84.0 186 186 A L H >X S+ 0 0 31 -4,-2.4 4,-1.5 2,-0.2 3,-0.9 0.938 108.1 50.7 -58.8 -48.0 16.3 82.9 85.5 187 187 A K H 3X S+ 0 0 107 -4,-1.8 4,-1.8 1,-0.3 3,-0.5 0.927 108.4 52.0 -56.3 -43.5 18.3 80.1 87.1 188 188 A V H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.5 0.734 101.1 63.9 -65.3 -20.1 20.7 82.8 88.5 189 189 A E H - 0 0 43 -2,-0.4 3,-2.7 -3,-0.2 23,-0.4 -0.861 62.6 -87.5-138.1 172.3 12.2 87.6 86.3 199 199 A D T 3 S+ 0 0 83 1,-0.3 23,-2.2 -2,-0.3 24,-0.3 0.784 127.1 51.3 -49.5 -29.2 9.4 86.5 84.0 200 200 A D T 3 S+ 0 0 102 21,-0.2 -1,-0.3 20,-0.1 2,-0.2 0.461 83.3 114.1 -90.8 -2.4 8.1 90.0 84.2 201 201 A T < - 0 0 29 -3,-2.7 20,-2.5 1,-0.1 2,-0.4 -0.467 67.5-124.0 -73.0 140.8 11.3 91.8 83.3 202 202 A L E +J 220 0E 28 18,-0.2 2,-0.3 -2,-0.2 18,-0.2 -0.689 36.0 178.2 -84.4 133.8 11.4 93.8 80.1 203 203 A V E -J 219 0E 0 16,-3.4 16,-2.3 -2,-0.4 2,-0.4 -0.941 20.5-146.6-136.7 158.2 14.2 92.7 77.7 204 204 A V E -JK 218 237E 0 33,-2.8 33,-3.0 -2,-0.3 2,-0.4 -0.988 11.5-163.5-127.6 134.8 15.3 93.7 74.2 205 205 A V E -JK 217 236E 0 12,-3.4 12,-2.4 -2,-0.4 2,-0.5 -0.963 4.8-170.6-121.4 136.3 16.9 91.3 71.7 206 206 A L E -JK 216 235E 0 29,-1.8 29,-1.0 -2,-0.4 2,-0.5 -0.988 10.6-171.2-126.2 118.6 18.9 92.3 68.6 207 207 A A E -JK 215 234E 0 8,-2.8 8,-2.3 -2,-0.5 27,-0.2 -0.944 62.6 -4.3-119.1 130.5 19.7 89.5 66.2 208 208 A R S > S- 0 0 37 25,-2.2 3,-1.5 -2,-0.5 -1,-0.2 0.957 74.9-163.9 60.3 54.4 22.0 89.7 63.2 209 209 A A T 3 S+ 0 0 0 1,-0.2 -1,-0.1 -3,-0.2 3,-0.1 -0.402 72.2 43.4 -65.3 146.2 22.8 93.4 63.4 210 210 A G T 3 S+ 0 0 4 1,-0.5 -1,-0.2 166,-0.1 -199,-0.2 0.083 88.2 107.4 103.5 -25.8 24.3 94.6 60.2 211 211 A S S < S- 0 0 8 -3,-1.5 -1,-0.5 1,-0.1 165,-0.2 -0.427 84.4-113.8 -79.7 164.1 21.9 92.7 58.0 212 212 A L S S+ 0 0 71 1,-0.3 164,-0.2 -3,-0.1 -1,-0.1 0.680 113.5 33.9 -73.0 -14.5 19.2 94.7 56.2 213 213 A N S S+ 0 0 115 -5,-0.2 -1,-0.3 162,-0.1 -4,-0.1 -0.456 78.4 173.4-139.3 65.4 16.6 93.0 58.3 214 214 A P - 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0 0 13 0, 0.0 -79,-0.1 0, 0.0 -78,-0.1 -0.187 6.8-151.6 -62.0 157.7 16.8 98.2 79.8 240 240 A G - 0 0 23 -81,-0.2 2,-0.9 1,-0.2 -80,-0.2 0.343 66.0 -19.0 -98.0-126.4 17.0 100.4 82.9 241 241 A K S S- 0 0 120 -82,-0.7 -1,-0.2 -85,-0.1 -80,-0.1 -0.743 79.3-136.4 -88.6 106.7 14.4 103.2 83.4 242 242 A L - 0 0 22 -2,-0.9 2,-0.3 -3,-0.1 -117,-0.0 -0.075 3.0-132.1 -60.1 154.9 12.9 103.9 80.0 243 243 A H > - 0 0 98 1,-0.1 4,-2.7 20,-0.0 3,-0.2 -0.775 27.6-115.1 -94.0 154.4 12.3 107.3 78.5 244 244 A I H > S+ 0 0 105 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.886 120.6 52.3 -54.5 -34.8 8.9 107.8 77.0 245 245 A V H > S+ 0 0 66 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.830 108.3 48.6 -72.5 -33.4 10.7 108.2 73.7 246 246 A E H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.915 109.2 53.9 -67.9 -41.7 12.6 104.9 74.1 247 247 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.874 106.1 54.0 -59.0 -40.2 9.3 103.2 75.0 248 248 A E H X S+ 0 0 74 -4,-1.8 4,-3.4 -5,-0.2 5,-0.2 0.911 108.9 45.8 -64.0 -44.4 7.8 104.5 71.7 249 249 A Y H X>S+ 0 0 4 -4,-1.5 4,-3.2 2,-0.2 5,-1.3 0.900 112.1 52.7 -66.4 -39.5 10.5 103.2 69.5 250 250 A L H X>S+ 0 0 0 -4,-2.3 6,-1.5 3,-0.2 5,-1.0 0.935 115.9 40.2 -60.0 -46.7 10.4 99.8 71.3 251 251 A V H X5S+ 0 0 8 -4,-2.4 4,-0.5 4,-0.3 -2,-0.2 0.961 122.2 40.8 -65.9 -53.3 6.6 99.7 70.8 252 252 A E H <5S+ 0 0 25 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.808 135.7 12.6 -68.3 -34.6 6.6 101.0 67.2 253 253 A I H <5S+ 0 0 43 -4,-3.2 -3,-0.2 -5,-0.2 -37,-0.2 0.728 130.1 44.8-115.2 -32.0 9.7 99.2 65.8 254 254 A A H < - 0 0 40 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.407 36.9-130.1 -59.5 125.5 3.6 95.7 74.6 258 258 A R G > S+ 0 0 144 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.698 99.4 79.4 -52.1 -20.4 2.0 99.2 74.4 259 259 A E G > S+ 0 0 107 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.832 78.1 68.9 -59.3 -31.9 1.7 99.1 78.2 260 260 A I G < S+ 0 0 17 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.737 83.8 74.0 -60.2 -21.6 5.4 100.1 78.5 261 261 A L G < S+ 0 0 49 -3,-1.7 2,-2.3 -4,-0.3 -1,-0.3 0.890 79.4 74.9 -58.2 -41.9 4.5 103.5 77.1 262 262 A R S < S- 0 0 183 -3,-1.3 -1,-0.2 -4,-0.4 -3,-0.0 -0.490 81.5-165.1 -75.3 78.3 2.9 104.4 80.4 263 263 A V - 0 0 40 -2,-2.3 2,-1.0 1,-0.1 -2,-0.1 -0.249 21.1-120.3 -65.5 150.6 6.1 105.0 82.3 264 264 A N 0 0 150 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.776 360.0 360.0 -97.7 93.7 6.2 105.2 86.1 265 265 A V 0 0 183 -2,-1.0 -1,-0.2 0, 0.0 -2,-0.0 0.932 360.0 360.0 -81.0 360.0 7.7 108.6 87.0 266 !* 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 0.0 267 1 B M 0 0 80 0, 0.0 106,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -5.1 9.4 103.2 48.8 268 2 B V E -no 345 373H 17 76,-1.7 78,-2.8 104,-0.2 2,-0.5 -0.968 360.0-166.3-127.8 138.0 12.6 102.7 50.8 269 3 B L E -no 346 374H 0 104,-3.1 106,-2.2 -2,-0.4 2,-0.5 -0.981 9.4-161.0-122.8 122.1 14.7 105.0 53.0 270 4 B Y E -no 347 375H 36 76,-3.4 78,-3.0 -2,-0.5 2,-1.0 -0.891 10.0-152.8-105.7 127.8 18.2 104.0 54.1 271 5 B F E -no 348 376H 2 104,-2.8 106,-2.9 -2,-0.5 2,-0.5 -0.853 25.2-167.5 -95.4 104.0 19.9 105.6 57.1 272 6 B I E -no 349 377H 0 76,-2.5 78,-1.9 -2,-1.0 2,-0.2 -0.826 15.7-134.2-104.1 126.0 23.6 105.3 56.0 273 7 B G E -n 350 0H 1 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.492 8.7-158.5 -72.9 141.4 26.4 105.9 58.5 274 8 B L - 0 0 4 76,-2.7 7,-0.3 78,-0.5 2,-0.2 0.569 36.0-124.0-100.0 -12.2 29.2 108.1 57.1 275 9 B G B -R 352 0I 0 77,-1.5 77,-3.6 75,-0.4 -1,-0.3 -0.634 29.0 -68.5 106.1-162.8 32.0 107.0 59.5 276 10 B L S S- 0 0 4 -2,-0.2 30,-0.4 75,-0.2 31,-0.2 0.883 103.6 -3.7 -98.4 -55.6 34.3 108.9 61.9 277 11 B Y S S+ 0 0 48 1,-0.2 30,-1.8 28,-0.2 31,-0.5 0.859 112.0 16.1-114.1 -67.5 36.8 111.1 60.1 278 12 B D S > S- 0 0 25 29,-0.2 3,-1.7 28,-0.1 -1,-0.2 -0.513 81.8 -88.3-116.3-177.0 37.0 111.1 56.3 279 13 B E T 3 S+ 0 0 37 1,-0.3 3,-0.3 28,-0.3 -261,-0.1 0.533 118.2 63.4 -71.9 -3.4 35.0 110.1 53.2 280 14 B R T 3 S+ 0 0 104 1,-0.2 -261,-3.0 -262,-0.1 -260,-0.3 0.384 79.8 80.9-100.5 4.0 36.5 106.6 53.3 281 15 B D < + 0 0 6 -3,-1.7 -1,-0.2 -7,-0.3 -2,-0.1 0.499 67.1 104.3 -87.4 -2.8 35.1 105.6 56.7 282 16 B I S S- 0 0 1 -3,-0.3 -264,-2.3 -8,-0.2 -263,-0.4 -0.450 82.2-108.5 -71.1 151.0 31.7 104.7 55.1 283 17 B T B > -F 17 0C 0 -10,-0.5 4,-2.2 95,-0.3 -266,-0.3 -0.501 20.6-116.5 -81.9 157.5 31.2 101.0 54.8 284 18 B V H > S+ 0 0 12 -268,-2.8 4,-2.4 1,-0.2 5,-0.3 0.918 118.5 56.0 -57.8 -41.2 31.3 99.4 51.4 285 19 B K H > S+ 0 0 2 -271,-3.6 4,-2.2 -269,-0.3 -1,-0.2 0.940 108.0 47.9 -56.2 -47.1 27.7 98.4 52.0 286 20 B G H > S+ 0 0 0 -272,-0.3 4,-1.8 92,-0.2 -1,-0.2 0.867 110.4 51.4 -62.0 -38.7 26.8 102.0 52.6 287 21 B L H X S+ 0 0 21 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.893 112.2 44.4 -66.4 -43.2 28.7 103.3 49.5 288 22 B E H X S+ 0 0 90 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.952 114.0 49.2 -67.3 -48.2 27.0 100.9 47.1 289 23 B I H X S+ 0 0 15 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.852 109.9 52.4 -59.7 -36.0 23.6 101.4 48.5 290 24 B A H >< S+ 0 0 0 -4,-1.8 3,-1.4 -5,-0.2 -1,-0.2 0.956 107.1 52.5 -65.0 -47.6 24.0 105.2 48.3 291 25 B K H 3< S+ 0 0 89 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.863 108.1 51.4 -55.4 -38.1 25.0 104.9 44.6 292 26 B K H 3< S+ 0 0 178 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.622 90.8 101.6 -76.8 -12.6 21.9 102.9 43.8 293 27 B C << - 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