==== 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 19-JAN-07 2E8H . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SUGAHARA,M.TAKETA,Y.TANAKA,Y.MATSUURA,N.KUNISHIMA,RIKEN ST . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 9.2 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 8 1 0 0 4 2 1 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 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 1 3 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 0 149 0, 0.0 106,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -9.4 56.0 97.0 56.3 2 2 A V E -ab 79 107A 8 76,-0.8 78,-3.0 104,-0.1 2,-0.4 -0.951 360.0-138.9-137.0 156.3 52.7 97.6 58.0 3 3 A L E -ab 80 108A 0 104,-2.7 106,-2.3 -2,-0.3 2,-0.5 -0.958 15.7-153.0-118.0 133.4 49.9 95.7 59.6 4 4 A Y E -ab 81 109A 30 76,-3.0 78,-3.2 -2,-0.4 2,-1.1 -0.892 6.7-158.2-110.5 118.7 46.2 96.6 59.1 5 5 A F E +ab 82 110A 0 104,-3.8 106,-3.2 -2,-0.5 2,-0.5 -0.750 27.3 179.2 -90.9 93.4 43.4 95.8 61.6 6 6 A I E -ab 83 111A 0 76,-1.4 78,-1.5 -2,-1.1 2,-0.3 -0.839 19.3-148.7-107.6 124.9 40.4 95.9 59.3 7 7 A G E -a 84 0A 0 104,-2.5 10,-0.5 -2,-0.5 80,-0.2 -0.632 1.2-156.1 -88.6 146.0 36.9 95.2 60.5 8 8 A L - 0 0 2 76,-2.7 7,-0.3 78,-0.5 2,-0.2 0.537 39.2-122.1-100.1 -13.4 34.4 93.6 58.1 9 9 A G B -E 86 0B 1 77,-1.4 77,-3.9 75,-0.4 -1,-0.3 -0.658 33.7 -56.4 108.9-159.7 31.1 94.8 59.6 10 10 A L S S- 0 0 2 -2,-0.2 30,-0.3 75,-0.2 -1,-0.1 0.918 109.3 -1.7 -94.1 -51.4 28.0 93.2 61.0 11 11 A Y S S+ 0 0 52 1,-0.3 30,-2.2 199,-0.2 31,-0.3 0.814 115.4 9.5-118.1 -57.1 26.2 90.9 58.6 12 12 A D S > S- 0 0 19 198,-0.2 3,-2.2 29,-0.1 -1,-0.3 -0.780 79.8 -88.8-129.2 177.9 27.8 90.5 55.1 13 13 A E G > S+ 0 0 31 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.709 117.9 66.4 -60.8 -19.3 31.0 91.4 53.2 14 14 A R G 3 S+ 0 0 61 1,-0.2 271,-2.7 270,-0.1 270,-0.4 0.545 80.6 79.1 -80.7 -4.2 29.4 94.8 52.1 15 15 A D G < S+ 0 0 1 -3,-2.2 -1,-0.2 -7,-0.3 -2,-0.2 0.473 70.3 104.3 -80.4 -0.8 29.5 96.0 55.7 16 16 A I S < S- 0 0 1 -3,-1.0 268,-2.6 -4,-0.1 269,-0.3 -0.500 81.4-110.0 -74.9 150.7 33.2 96.7 55.3 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.4 95,-0.3 266,-0.3 -0.473 20.6-116.3 -80.2 156.9 33.9 100.4 54.9 18 18 A V H > S+ 0 0 10 264,-2.4 4,-2.4 262,-0.3 5,-0.2 0.898 119.6 54.5 -58.0 -39.2 35.1 101.8 51.5 19 19 A K H > S+ 0 0 3 261,-2.6 4,-2.0 263,-0.3 5,-0.2 0.944 108.3 48.9 -58.3 -48.0 38.4 102.7 53.3 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -2,-0.2 0.903 112.0 47.6 -59.4 -45.1 38.7 99.1 54.5 21 21 A L H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.920 110.4 49.6 -64.4 -47.6 38.1 97.6 51.1 22 22 A E H X S+ 0 0 93 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.901 116.4 42.9 -60.7 -41.0 40.5 99.8 49.1 23 23 A I H >< S+ 0 0 19 -4,-2.0 3,-0.8 -5,-0.2 4,-0.3 0.899 112.9 51.8 -71.9 -41.8 43.3 99.1 51.6 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.853 103.9 59.4 -62.4 -34.9 42.6 95.4 51.9 25 25 A K H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.780 108.5 45.2 -63.7 -27.7 42.7 95.2 48.1 26 26 A K T << S+ 0 0 167 -3,-0.8 -1,-0.2 -4,-0.7 2,-0.2 0.286 85.7 111.2-101.5 7.6 46.3 96.4 48.1 27 27 A C < - 0 0 0 -3,-1.1 53,-0.2 -4,-0.3 3,-0.1 -0.555 62.4-141.4 -82.1 149.2 47.7 94.3 50.9 28 28 A D S S+ 0 0 82 51,-2.1 2,-0.4 1,-0.2 52,-0.2 0.913 87.6 22.8 -74.6 -42.2 50.3 91.7 50.1 29 29 A Y E -c 80 0A 107 50,-1.5 52,-2.0 24,-0.1 2,-0.5 -0.965 68.0-160.3-128.2 142.6 48.9 89.1 52.6 30 30 A V E +cd 81 55A 6 24,-0.5 26,-2.2 -2,-0.4 2,-0.3 -0.972 12.4 174.2-128.2 118.6 45.5 88.9 54.1 31 31 A F E +cd 82 56A 6 50,-3.3 52,-3.0 -2,-0.5 2,-0.3 -0.750 7.5 175.7-113.8 166.0 44.7 87.0 57.3 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.2 50,-0.3 2,-0.3 -0.986 21.4-144.0-163.6 165.5 41.4 86.8 59.3 33 33 A E E - d 0 58A 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.992 8.9-178.3-137.9 142.2 39.5 85.3 62.2 34 34 A F + 0 0 56 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.160 64.7 86.9-132.3 37.9 35.9 84.3 62.4 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.583 75.4 65.0-111.0 -15.8 35.6 83.1 66.0 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.649 119.0 -10.4 -82.2 -13.8 34.9 86.4 67.8 37 37 A S - 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.972 69.5-104.0-167.9 175.6 31.6 86.8 66.1 38 38 A L - 0 0 36 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.967 11.0-161.6-121.5 125.1 29.3 85.5 63.3 39 39 A M > - 0 0 12 -2,-0.5 3,-1.2 1,-0.1 -28,-0.2 -0.812 16.5-173.7-101.8 89.1 28.7 87.3 60.0 40 40 A A T 3 S+ 0 0 38 -2,-1.0 -1,-0.1 -30,-0.3 -28,-0.1 0.592 70.7 54.9 -61.9 -17.0 25.5 85.4 59.1 41 41 A G T 3 S+ 0 0 14 -30,-2.2 2,-0.3 -31,-0.1 -1,-0.2 0.198 103.9 43.9-108.5 19.9 25.0 86.8 55.6 42 42 A T < - 0 0 21 -3,-1.2 2,-0.3 -31,-0.3 -3,-0.1 -0.880 61.3-137.9-148.2 178.9 28.3 86.0 53.8 43 43 A T > - 0 0 69 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.911 34.7-105.9-138.0 163.9 30.9 83.4 53.3 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.932 121.0 54.1 -57.0 -44.7 34.7 83.3 53.2 45 45 A G H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.907 106.2 49.8 -56.1 -46.3 34.5 82.9 49.4 46 46 A R H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 113.2 47.5 -62.5 -36.2 32.3 86.0 49.0 47 47 A I H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.928 111.0 50.5 -69.6 -45.4 34.7 88.0 51.1 48 48 A Q H X>S+ 0 0 59 -4,-3.1 4,-2.5 1,-0.2 5,-0.9 0.904 110.6 50.8 -57.9 -42.1 37.7 86.7 49.1 49 49 A K H <5S+ 0 0 185 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.903 110.0 49.0 -63.2 -43.3 36.0 87.7 45.9 50 50 A L H <5S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.920 119.6 36.9 -63.4 -45.2 35.2 91.2 47.1 51 51 A I H <5S- 0 0 5 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.747 100.4-134.6 -80.3 -25.1 38.8 91.8 48.2 52 52 A G T <5 + 0 0 59 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.702 68.2 103.9 78.1 19.4 40.4 89.9 45.4 53 53 A K S - 0 0 36 -2,-0.3 4,-1.9 -26,-0.1 5,-0.2 -0.373 35.9 -98.7 -87.9 171.9 41.9 79.9 64.9 60 60 A R H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.896 126.2 50.6 -59.6 -38.3 41.8 81.4 68.4 61 61 A E H >>S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 5,-1.0 0.912 105.3 55.1 -67.3 -41.2 45.0 79.5 69.2 62 62 A D H >5S+ 0 0 46 3,-0.2 4,-0.8 2,-0.2 7,-0.3 0.912 118.4 35.8 -56.3 -42.4 46.8 80.7 66.1 63 63 A V H X5S+ 0 0 2 -4,-1.9 4,-1.7 3,-0.2 5,-0.2 0.974 120.4 41.6 -75.8 -61.9 46.1 84.3 67.2 64 64 A E H <5S+ 0 0 75 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.827 132.8 23.4 -60.2 -33.4 46.3 84.3 71.0 65 65 A L H <5S+ 0 0 107 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.2 0.760 136.5 25.1-103.7 -30.6 49.4 82.0 71.0 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.1 1,-0.3 5,-1.4 0.947 85.9 48.2 -53.2 -51.5 50.0 86.0 66.2 68 68 A E H 345S+ 0 0 74 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.521 115.8 45.8 -67.7 -5.4 53.7 87.1 66.3 69 69 A N H <45S+ 0 0 103 -3,-1.7 -1,-0.2 -7,-0.3 -2,-0.2 0.645 123.6 29.6-107.8 -24.8 54.8 83.9 64.6 70 70 A I H <5S+ 0 0 24 -4,-2.2 4,-0.3 -3,-0.4 -3,-0.2 0.861 132.9 19.3-100.6 -52.3 52.2 83.7 61.8 71 71 A V T >X5S+ 0 0 0 -4,-2.1 4,-1.0 -5,-0.4 3,-1.0 0.937 115.7 56.1 -88.6 -54.2 51.2 87.3 61.0 72 72 A L H >>4 S+ 0 0 61 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.881 106.5 46.7 -51.7 -37.7 56.9 88.1 60.4 74 74 A L H X> S+ 0 0 51 -3,-1.0 4,-2.1 -4,-0.3 3,-1.3 0.776 102.0 63.9 -74.8 -26.9 55.2 89.0 57.1 75 75 A A H << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.7 32,-0.2 0.647 89.2 70.6 -71.6 -14.2 54.4 92.6 58.1 76 76 A K T << S+ 0 0 108 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.599 118.1 16.6 -79.1 -10.8 58.1 93.3 58.3 77 77 A E T <4 S+ 0 0 166 -3,-1.3 2,-0.2 -4,-0.1 -2,-0.2 0.485 129.3 37.3-132.8 -18.5 58.5 93.1 54.5 78 78 A N S < S- 0 0 40 -4,-2.1 -76,-0.8 -76,-0.0 2,-0.7 -0.751 84.2 -97.4-130.7 176.4 54.9 93.4 53.3 79 79 A D E -a 2 0A 54 -2,-0.2 -51,-2.1 -78,-0.2 -50,-1.5 -0.889 47.3-169.5 -97.6 116.2 51.6 95.2 53.9 80 80 A V E -ac 3 29A 0 -78,-3.0 -76,-3.0 -2,-0.7 2,-0.4 -0.858 11.3-158.5-113.5 146.7 49.5 92.7 55.9 81 81 A A E -ac 4 30A 0 -52,-2.0 -50,-3.3 -2,-0.4 2,-0.5 -0.945 3.8-162.2-122.6 142.7 45.8 92.9 56.8 82 82 A F E -ac 5 31A 0 -78,-3.2 -76,-1.4 -2,-0.4 -50,-0.3 -0.943 17.0-159.0-125.6 106.2 44.0 91.1 59.6 83 83 A L E +ac 6 32A 0 -52,-3.0 -50,-1.7 -2,-0.5 -76,-0.2 -0.600 13.6 174.3 -89.6 148.5 40.3 91.0 59.1 84 84 A T E -a 7 0A 0 -78,-1.5 -76,-2.7 -2,-0.2 -75,-0.4 -0.976 37.0 -95.8-146.3 156.2 37.7 90.4 61.8 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.315 92.6 -11.0 -67.4 161.6 33.8 90.4 62.0 86 86 A G B S-E 9 0B 1 -77,-3.9 -77,-1.4 -79,-0.1 -78,-0.5 -0.124 129.7 -14.6 48.3-140.8 32.3 93.7 63.2 87 87 A D > - 0 0 0 446,-1.9 3,-1.4 -80,-0.2 25,-0.1 -0.829 68.7-132.2 -93.7 131.8 34.9 96.2 64.6 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.726 100.6 40.3 -54.5 -28.5 38.3 94.5 65.3 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.336 88.0 108.0-107.7 6.3 38.8 95.9 68.8 90 90 A V S < S- 0 0 0 -3,-1.4 3,-0.1 1,-0.2 26,-0.1 -0.746 101.0 -21.0 -96.7 119.3 35.2 95.7 70.2 91 91 A A S S+ 0 0 44 -2,-0.6 -1,-0.2 1,-0.2 2,-0.2 0.860 118.4 103.4 51.3 33.2 34.6 93.0 72.8 92 92 A T S S- 0 0 22 -3,-0.5 -1,-0.2 441,-0.1 301,-0.2 -0.767 77.5-128.4-123.6 179.3 37.7 91.2 71.6 93 93 A T S > S+ 0 0 82 -2,-0.2 3,-0.7 1,-0.1 4,-0.4 0.157 78.7 107.8-109.9 16.4 41.2 90.9 72.9 94 94 A H T >> + 0 0 0 -6,-0.4 3,-1.1 1,-0.2 4,-0.5 0.728 59.9 76.7 -66.5 -20.2 42.8 92.0 69.6 95 95 A A H >> S+ 0 0 16 1,-0.3 3,-2.3 2,-0.2 4,-0.6 0.955 90.4 56.3 -56.0 -43.3 43.8 95.4 71.1 96 96 A E H X> S+ 0 0 53 -3,-0.7 4,-1.6 1,-0.3 3,-1.0 0.770 92.2 71.9 -58.2 -26.4 46.6 93.7 72.9 97 97 A L H <> S+ 0 0 3 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.3 0.727 88.6 61.6 -63.7 -20.5 47.8 92.5 69.5 98 98 A R H S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 3,-0.5 0.943 110.3 49.7 -61.7 -47.9 53.1 94.4 66.7 102 102 A K H ><5S+ 0 0 98 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.944 108.6 52.1 -56.5 -49.3 54.8 97.4 68.3 103 103 A R H 3<5S+ 0 0 166 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 108.0 52.6 -60.6 -26.3 57.3 95.2 70.2 104 104 A A T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.326 121.5-108.9 -90.4 7.8 58.1 93.4 66.9 105 105 A G T < 5S+ 0 0 70 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.827 75.0 136.9 72.5 30.2 58.8 96.8 65.3 106 106 A V < - 0 0 5 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.942 49.5-137.1-114.6 127.8 55.7 96.7 63.1 107 107 A E E -b 2 0A 118 -106,-0.8 -104,-2.7 -2,-0.5 2,-0.3 -0.603 23.9-161.8 -79.3 140.0 53.5 99.7 62.7 108 108 A S E -b 3 0A 10 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.937 10.2-165.6-127.4 149.9 49.8 99.0 62.8 109 109 A Y E -b 4 0A 62 -106,-2.3 -104,-3.8 -2,-0.3 2,-0.5 -0.973 13.6-139.0-131.3 147.1 46.6 100.8 61.7 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.921 10.1-168.8-113.6 125.6 43.0 100.3 62.6 111 111 A I E -b 6 0A 4 -106,-3.2 -104,-2.5 -2,-0.5 -94,-0.1 -0.944 20.7-146.0-113.0 111.8 40.1 100.5 60.1 112 112 A H - 0 0 8 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.229 16.2-174.4 -73.4 164.2 36.8 100.4 61.9 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.921 45.6 -62.4-149.2 165.6 33.5 98.9 60.7 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.307 57.9-158.1 -57.6 138.2 30.0 98.9 62.0 115 115 A S >> - 0 0 0 264,-0.3 4,-2.3 -29,-0.2 3,-0.9 -0.871 29.3-125.2-120.1 153.3 29.8 97.2 65.4 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.824 107.8 70.5 -63.8 -27.1 27.0 95.6 67.4 117 117 A Y H 34 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.864 111.8 26.3 -59.9 -36.8 27.9 98.0 70.2 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-2.2 1,-0.1 -1,-0.2 0.720 108.0 73.9 -97.6 -24.8 26.5 101.0 68.3 119 119 A A H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.670 74.1 84.5 -62.6 -13.7 24.0 99.1 66.2 120 120 A V G ><> + 0 0 1 -4,-0.9 3,-2.4 1,-0.3 5,-0.5 0.728 69.0 83.5 -59.6 -16.7 21.9 98.8 69.4 121 121 A G G X 5S+ 0 0 1 -3,-2.2 3,-1.8 1,-0.3 -1,-0.3 0.830 75.8 69.0 -55.1 -28.9 20.7 102.2 68.3 122 122 A I G < 5S+ 0 0 5 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.651 85.2 69.3 -68.2 -10.4 18.2 100.5 66.0 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.579 110.5-118.2 -81.3 -10.6 16.3 99.2 69.1 124 124 A G T < 5S+ 0 0 2 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.358 73.0 131.9 90.0 -7.2 15.2 102.7 69.9 125 125 A L S - 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0 0 40 -4,-0.1 -1,-0.3 49,-0.0 2,-0.3 -0.975 62.3-123.9-167.4 167.5 28.3 116.2 63.9 304 38 B L - 0 0 9 -2,-0.3 2,-1.1 -3,-0.1 3,-0.1 -0.854 22.6-121.9-121.1 158.0 30.6 117.1 61.0 305 39 B M > - 0 0 14 -2,-0.3 3,-1.8 1,-0.2 -28,-0.1 -0.765 32.6-176.8 -99.8 85.1 32.9 115.0 58.9 306 40 B A T 3 S+ 0 0 47 -2,-1.1 -1,-0.2 -30,-0.3 -28,-0.1 0.632 74.5 57.3 -59.8 -18.8 36.1 116.8 59.7 307 41 B G T 3 S+ 0 0 19 -30,-2.0 -1,-0.3 -31,-0.1 2,-0.2 0.297 115.5 22.2 -98.0 12.3 38.3 114.7 57.4 308 42 B T S < S- 0 0 16 -3,-1.8 2,-0.3 -31,-0.3 -3,-0.1 -0.830 72.6-116.1-155.1-170.1 36.3 115.5 54.2 309 43 B T > - 0 0 69 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.925 30.4-110.1-137.9 163.6 33.9 117.9 52.6 310 44 B L H > S+ 0 0 67 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.914 120.1 55.7 -58.9 -40.5 30.3 117.9 51.3 311 45 B G H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 107.7 46.4 -60.6 -40.1 31.8 118.2 47.8 312 46 B R H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 113.1 49.7 -71.8 -34.6 33.9 115.1 48.3 313 47 B I H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.942 112.1 48.7 -67.7 -44.3 31.0 113.2 49.7 314 48 B Q H X>S+ 0 0 66 -4,-3.2 4,-2.3 1,-0.2 5,-1.0 0.917 110.3 50.1 -60.1 -45.8 28.8 114.2 46.8 315 49 B K H <5S+ 0 0 172 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 110.8 50.6 -61.4 -38.4 31.4 113.3 44.2 316 50 B L H <5S+ 0 0 49 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.912 116.7 38.4 -66.4 -44.7 31.9 109.8 45.8 317 51 B I H <5S- 0 0 4 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.748 98.7-139.1 -79.0 -23.6 28.1 109.1 45.8 318 52 B G T <5 + 0 0 59 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.842 67.1 102.6 68.3 33.2 27.6 110.7 42.5 319 53 B K S - 0 0 46 -2,-0.4 4,-1.9 -26,-0.1 5,-0.2 -0.324 35.0 -98.8 -85.6 174.3 19.2 121.7 59.2 326 60 B R H > S+ 0 0 120 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.889 127.3 47.3 -60.6 -40.8 18.2 120.5 62.7 327 61 B E H >>S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 5,-1.3 0.908 105.8 57.7 -68.3 -41.3 14.9 122.2 62.3 328 62 B D H 45S+ 0 0 40 3,-0.2 4,-0.4 2,-0.2 7,-0.2 0.896 118.3 34.6 -52.8 -42.5 14.3 120.7 58.8 329 63 B V H X5S+ 0 0 0 -4,-1.9 4,-1.6 3,-0.2 -2,-0.2 0.984 122.3 39.9 -77.0 -65.0 14.7 117.3 60.5 330 64 B E H <5S+ 0 0 76 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.847 130.9 26.2 -56.9 -40.4 13.2 117.7 64.0 331 65 B L T <5S+ 0 0 102 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.854 135.1 22.6 -94.7 -36.9 10.2 119.8 62.9 332 66 B N T >>S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.3 5,-1.6 0.910 83.0 52.2 -50.4 -45.5 11.1 115.5 58.4 334 68 B E H 345S+ 0 0 79 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.630 113.7 42.7 -68.6 -14.2 7.6 114.3 57.4 335 69 B N H <45S+ 0 0 108 -3,-1.8 -1,-0.2 -7,-0.2 -2,-0.2 0.598 124.5 31.4-105.4 -16.2 7.1 117.3 55.0 336 70 B I H <5S+ 0 0 26 -4,-1.8 4,-0.3 -3,-0.4 -3,-0.2 0.819 132.0 19.6-105.8 -48.4 10.6 117.3 53.4 337 71 B V T X5S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.4 3,-0.5 0.926 116.8 54.0 -91.1 -53.9 11.8 113.7 53.3 338 72 B L H >4 S+ 0 0 69 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.925 107.4 47.0 -55.6 -43.8 6.7 112.6 50.8 340 74 B L H >> S+ 0 0 52 -3,-0.5 3,-0.9 -4,-0.3 4,-0.8 0.808 103.4 64.0 -66.4 -29.2 9.4 111.8 48.3 341 75 B A H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.3 32,-0.2 0.613 87.6 73.3 -71.0 -11.2 9.9 108.4 49.9 342 76 B K T << S+ 0 0 81 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.810 116.0 15.0 -72.9 -31.0 6.3 107.5 48.8 343 77 B E T <4 S+ 0 0 160 -3,-0.9 2,-0.3 -4,-0.4 -2,-0.2 0.274 127.8 42.9-126.3 8.4 7.2 107.1 45.1 344 78 B N S < S- 0 0 42 -4,-0.8 -76,-1.4 -76,-0.0 2,-0.6 -0.899 83.7 -96.7-146.3 172.8 11.0 106.9 45.2 345 79 B D E -n 268 0H 58 -2,-0.3 -51,-2.1 -78,-0.2 -50,-1.5 -0.868 47.0-169.3 -94.9 124.7 14.0 105.4 47.0 346 80 B V E -np 269 295H 0 -78,-3.0 -76,-3.5 -2,-0.6 2,-0.4 -0.936 11.5-157.3-122.1 142.0 15.3 108.0 49.4 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.0 -2,-0.4 2,-0.5 -0.908 4.1-165.6-117.3 144.0 18.5 108.2 51.5 348 82 B F E -np 271 297H 0 -78,-2.8 -76,-2.2 -2,-0.4 2,-0.3 -0.950 16.6-159.7-129.0 106.7 19.1 110.1 54.7 349 83 B L E +np 272 298H 0 -52,-2.9 -50,-1.4 -2,-0.5 -76,-0.2 -0.703 13.1 175.5 -93.2 140.3 22.8 110.3 55.5 350 84 B T E -n 273 0H 3 -78,-1.8 -76,-2.9 -2,-0.3 -75,-0.4 -0.991 37.5-100.7-140.6 145.7 24.2 111.1 59.0 351 85 B P S S- 0 0 13 0, 0.0 -75,-0.2 0, 0.0 2,-0.2 -0.326 92.7 -1.3 -61.1 150.3 27.8 111.1 60.3 352 86 B G B S-R 275 0I 14 -77,-3.2 -77,-1.7 -79,-0.1 29,-0.2 -0.447 122.6 -17.3 74.3-140.3 28.6 108.0 62.2 353 87 B D S > S- 0 0 4 -80,-0.2 3,-1.4 -2,-0.2 4,-0.4 -0.881 76.0-109.2-107.1 132.3 26.0 105.2 62.7 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.237 99.5 24.0 -59.9 151.0 22.3 106.0 62.1 355 89 B L T 3 S+ 0 0 7 1,-0.1 -228,-0.3 -233,-0.1 6,-0.3 0.480 90.4 105.4 73.0 3.6 20.1 106.2 65.1 356 90 B V < + 0 0 22 -3,-1.4 -229,-0.4 -230,-0.1 -228,-0.2 0.942 58.3 82.8 -76.5 -50.1 22.9 106.9 67.5 357 91 B A S >> S- 0 0 29 -4,-0.4 3,-1.9 1,-0.1 4,-0.6 -0.343 95.8-119.1 -54.5 127.7 21.9 110.5 67.8 358 92 B T T 34 S+ 0 0 57 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.755 104.9 43.4 -42.9 -43.0 19.2 110.4 70.5 359 93 B T T 34 S+ 0 0 67 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.559 93.1 81.0 -87.8 -4.3 16.2 111.8 68.5 360 94 B H T X> S+ 0 0 3 -3,-1.9 3,-1.4 1,-0.2 4,-0.5 0.861 79.3 65.0 -70.6 -35.0 16.8 109.9 65.2 361 95 B A H >X S+ 0 0 7 -4,-0.6 3,-2.0 -3,-0.3 4,-0.6 0.912 96.5 59.8 -52.6 -42.0 15.2 106.6 66.2 362 96 B E H >> S+ 0 0 48 -4,-0.3 4,-1.8 1,-0.3 3,-0.9 0.790 90.0 70.7 -58.3 -28.0 11.9 108.5 66.5 363 97 B L H <> S+ 0 0 3 -3,-1.4 4,-1.8 -4,-0.5 -1,-0.3 0.773 92.1 58.3 -60.9 -25.7 12.2 109.4 62.8 364 98 B R H <>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 3,-0.9 0.948 109.4 50.2 -61.7 -48.3 8.1 107.0 58.5 368 102 B K H ><5S+ 0 0 99 -4,-2.3 3,-2.4 1,-0.3 -2,-0.2 0.950 108.1 53.2 -54.1 -50.1 5.9 104.1 59.7 369 103 B R H 3<5S+ 0 0 174 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.739 108.7 51.5 -57.0 -24.2 3.1 106.6 60.3 370 104 B A T <<5S- 0 0 38 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.382 118.5-110.3 -95.6 3.8 3.5 107.8 56.8 371 105 B G T < 5S+ 0 0 38 -3,-2.4 2,-0.5 -4,-0.3 -3,-0.2 0.798 74.4 138.3 72.8 27.0 3.3 104.4 55.3 372 106 B V < - 0 0 6 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.922 49.7-137.0-109.9 129.0 6.9 104.5 54.4 373 107 B E E -o 268 0H 95 -106,-1.4 -104,-2.9 -2,-0.5 2,-0.4 -0.586 24.1-164.1 -79.3 143.0 9.2 101.5 54.8 374 108 B S E -o 269 0H 14 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.983 9.9-170.2-133.8 146.8 12.6 102.3 56.3 375 109 B Y E -o 270 0H 47 -106,-2.2 -104,-3.0 -2,-0.4 2,-0.5 -0.969 16.9-133.2-133.5 148.2 15.9 100.4 56.5 376 110 B V E -o 271 0H 7 -2,-0.3 2,-0.6 -164,-0.3 -104,-0.2 -0.891 11.1-167.7-110.3 128.0 19.1 101.1 58.4 377 111 B I E -o 272 0H 2 -106,-3.4 -104,-2.2 -2,-0.5 -94,-0.1 -0.953 23.4-144.5-113.9 110.4 22.6 100.8 56.9 378 112 B H + 0 0 4 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.241 21.0 176.6 -75.2 160.9 25.2 101.0 59.7 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -264,-0.1 -266,-0.1 -0.941 45.8 -61.8-153.2 165.5 28.6 102.6 59.7 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.228 51.1-161.7 -56.8 142.2 31.3 103.0 62.4 381 115 B S >> - 0 0 3 -268,-0.3 4,-2.9 -29,-0.2 3,-1.1 -0.897 31.2-121.6-123.8 152.9 30.4 105.0 65.4 382 116 B I H 3> S+ 0 0 29 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.790 110.4 72.2 -63.2 -23.9 32.6 106.7 68.0 383 117 B Y H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.867 114.4 21.7 -59.4 -36.1 30.8 104.6 70.5 384 118 B S H X4 S+ 0 0 0 -3,-1.1 3,-1.7 2,-0.1 -2,-0.2 0.702 115.3 67.8 -99.6 -30.2 32.6 101.5 69.2 385 119 B A H >< S+ 0 0 0 -4,-2.9 3,-2.3 1,-0.3 -3,-0.2 0.775 82.5 74.8 -64.7 -25.7 35.6 103.3 67.6 386 120 B V G ><>S+ 0 0 0 -4,-1.7 3,-2.6 1,-0.3 5,-0.5 0.649 71.5 88.9 -60.6 -10.6 36.9 104.3 71.1 387 121 B G G X 5S+ 0 0 2 -3,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.748 71.4 73.3 -55.9 -19.5 37.9 100.7 71.3 388 122 B I G < 5S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.611 80.1 71.0 -72.4 -11.2 41.1 102.0 69.7 389 123 B T G < 5S- 0 0 0 -3,-2.6 -1,-0.3 2,-0.2 -2,-0.2 0.590 111.7-118.8 -77.0 -10.5 42.0 103.6 73.1 390 124 B G T < 5S+ 0 0 4 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.446 71.5 134.4 87.7 -2.2 42.6 100.1 74.4 391 125 B L < - 0 0 3 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.694 66.5-106.3 -82.9 130.1 39.9 100.5 77.0 392 126 B H > - 0 0 42 -2,-0.4 3,-1.1 1,-0.1 4,-0.2 -0.324 21.7-138.7 -58.2 128.8 37.6 97.4 77.2 393 127 B I G > S+ 0 0 3 -304,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.857 99.2 58.9 -58.5 -38.0 34.2 98.2 75.6 394 128 B Y G 3 S+ 0 0 105 1,-0.3 -261,-2.1 -262,-0.1 -1,-0.3 0.764 97.0 64.2 -66.1 -21.2 32.2 96.4 78.3 395 129 B K G < S+ 0 0 21 -3,-1.1 32,-2.6 -263,-0.2 -1,-0.3 0.501 77.0 104.8 -81.5 -3.5 33.7 98.6 81.0 396 130 B F B < -s 427 0J 3 -3,-1.6 -263,-0.2 -4,-0.2 32,-0.2 -0.578 52.0-170.4 -77.2 141.8 32.1 101.8 79.6 397 131 B G - 0 0 0 30,-3.0 32,-0.2 1,-0.4 -267,-0.1 0.023 46.7 -19.9-106.9-146.0 29.2 103.1 81.6 398 132 B K S S- 0 0 70 19,-0.2 -1,-0.4 -269,-0.1 31,-0.3 -0.339 70.9-132.1 -60.0 144.3 26.6 105.8 81.0 399 133 B S - 0 0 4 -271,-2.1 2,-0.3 -269,-0.1 31,-0.2 -0.670 23.5-165.5-101.4 158.4 27.8 108.3 78.4 400 134 B A E -t 430 0K 9 29,-2.4 31,-3.0 -2,-0.2 2,-0.4 -0.898 17.7-136.8-139.9 168.6 27.7 112.1 78.7 401 135 B T E -t 431 0K 84 -2,-0.3 2,-0.7 29,-0.2 13,-0.3 -0.995 20.0-136.4-129.1 128.0 28.0 115.3 76.9 402 136 B V E -t 432 0K 0 29,-3.2 31,-1.4 -2,-0.4 2,-0.3 -0.770 26.3-166.7 -87.0 117.9 30.0 118.3 78.2 403 137 B A - 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