==== 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 22-MAR-07 2EJZ . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,M.TAKETA,N.ONO,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUCTUR . 532 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 9.0 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 24.6 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 6 0 0 0 3 3 1 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 3 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 PARALLEL BRIDGES PER LADDER . 5 2 2 2 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 0 128 0, 0.0 106,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -43.0 55.9 97.5 56.3 2 2 A V E -a 107 0A 4 104,-0.1 78,-3.0 72,-0.1 2,-0.4 -0.814 360.0-127.6-131.5 171.0 52.7 97.8 58.4 3 3 A L E -ab 108 80A 0 104,-2.5 106,-2.3 -2,-0.3 2,-0.5 -0.977 18.5-159.2-121.3 129.3 49.8 95.9 59.9 4 4 A Y E -ab 109 81A 34 76,-3.1 78,-2.8 -2,-0.4 2,-0.7 -0.928 7.5-155.1-110.8 127.6 46.2 96.9 59.4 5 5 A F E -ab 110 82A 0 104,-3.1 106,-3.1 -2,-0.5 2,-0.5 -0.911 25.1-174.6 -97.5 115.0 43.4 95.7 61.7 6 6 A I E -ab 111 83A 0 76,-2.4 78,-1.7 -2,-0.7 2,-0.2 -0.950 17.4-142.3-121.0 122.0 40.3 96.0 59.5 7 7 A G E - b 0 84A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.559 3.6-160.2 -79.5 142.7 36.8 95.4 60.6 8 8 A L - 0 0 0 76,-3.1 7,-0.4 1,-0.3 3,-0.2 0.499 42.4-129.9 -96.6 -9.6 34.4 93.7 58.2 9 9 A G B -E 86 0B 0 77,-1.7 77,-3.5 75,-0.4 -1,-0.3 -0.294 34.9 -42.1 94.8-176.7 31.3 94.9 60.0 10 10 A L S S- 0 0 1 75,-0.2 -1,-0.2 5,-0.2 199,-0.1 0.850 115.2 -6.3 -59.4 -53.5 28.1 93.5 61.4 11 11 A M S S+ 0 0 19 1,-0.3 29,-3.2 -3,-0.2 2,-0.2 0.786 113.8 5.7-120.7 -46.8 26.6 91.0 59.0 12 12 A D S > S- 0 0 29 27,-0.2 3,-2.3 -4,-0.2 -1,-0.3 -0.817 78.7 -83.6-139.0 179.0 28.3 90.6 55.6 13 13 A E G > S+ 0 0 18 1,-0.3 3,-1.1 -2,-0.2 271,-0.2 0.724 118.6 65.2 -59.2 -22.9 31.3 91.6 53.4 14 14 A R G 3 S+ 0 0 67 1,-0.2 271,-2.9 270,-0.1 272,-0.3 0.511 83.7 76.4 -79.4 -2.0 29.5 94.8 52.3 15 15 A D G < S+ 0 0 1 -3,-2.3 -1,-0.2 -7,-0.4 -5,-0.2 0.442 71.5 104.9 -86.1 1.5 29.7 96.1 55.9 16 16 A I S < S- 0 0 0 -3,-1.1 268,-2.4 97,-0.1 269,-0.3 -0.498 80.5-110.5 -75.7 151.2 33.3 96.9 55.4 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.7 95,-0.3 266,-0.3 -0.510 19.9-117.2 -81.7 155.4 34.1 100.6 55.0 18 18 A V H > S+ 0 0 9 264,-2.5 4,-3.0 262,-0.4 5,-0.3 0.910 119.3 54.6 -55.3 -41.4 35.2 101.9 51.7 19 19 A K H > S+ 0 0 2 261,-2.5 4,-2.1 263,-0.3 5,-0.2 0.940 108.6 46.8 -56.7 -51.0 38.4 102.9 53.5 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.6 92,-0.2 -1,-0.2 0.899 113.2 49.6 -60.2 -41.5 38.9 99.4 54.7 21 21 A L H X S+ 0 0 18 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.950 111.0 47.2 -63.5 -50.5 38.2 97.9 51.3 22 22 A E H X S+ 0 0 91 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.860 115.9 45.9 -61.4 -36.0 40.6 100.2 49.4 23 23 A I H >X S+ 0 0 18 -4,-2.1 3,-1.0 -5,-0.3 4,-0.5 0.926 110.7 51.8 -72.9 -44.4 43.4 99.6 51.9 24 24 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.865 103.3 60.1 -59.0 -37.4 42.9 95.8 52.0 25 25 A K H 3< S+ 0 0 104 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.790 106.3 47.5 -61.5 -28.5 43.1 95.8 48.2 26 26 A K H << S+ 0 0 174 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.467 88.5 109.4 -92.5 -4.3 46.6 97.2 48.4 27 27 A C << - 0 0 0 -3,-1.2 53,-0.2 -4,-0.5 3,-0.1 -0.462 62.1-144.4 -76.6 146.4 47.9 94.8 51.1 28 28 A D S S+ 0 0 81 51,-2.1 2,-0.4 1,-0.2 52,-0.2 0.909 85.4 21.6 -74.2 -43.5 50.5 92.1 50.3 29 29 A Y E -c 80 0A 110 50,-1.5 52,-2.1 24,-0.1 2,-0.4 -0.963 68.7-158.8-128.3 144.3 49.1 89.5 52.7 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.2 -2,-0.4 2,-0.3 -0.977 11.7 174.9-130.1 123.8 45.6 89.2 54.2 31 31 A F E +cd 82 56A 9 50,-3.1 52,-3.2 -2,-0.4 2,-0.3 -0.764 5.6 176.3-116.5 165.5 44.6 87.3 57.3 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.4 50,-0.3 2,-0.3 -0.983 18.6-147.1-163.3 161.0 41.3 87.0 59.1 33 33 A E - 0 0 0 50,-1.8 26,-0.1 -2,-0.3 24,-0.0 -0.984 7.2-174.9-135.0 144.7 39.5 85.4 62.0 34 34 A F + 0 0 49 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.248 65.4 87.9-132.8 42.8 35.8 84.4 62.3 35 35 A Y S S+ 0 0 15 23,-0.1 135,-0.4 3,-0.1 136,-0.1 0.541 73.7 65.9-115.6 -14.6 35.6 83.2 65.9 36 36 A T S S- 0 0 12 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.667 119.0 -8.8 -82.9 -15.4 34.9 86.5 67.7 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.960 74.6 -97.7-164.9 176.3 31.5 86.8 66.0 38 38 A L + 0 0 38 -2,-0.3 2,-0.2 -28,-0.1 3,-0.1 -0.939 36.5 172.5-114.8 124.3 29.2 85.3 63.3 39 39 A M - 0 0 13 -2,-0.5 -27,-0.2 1,-0.2 -28,-0.1 -0.620 50.3 -58.0-115.6 177.9 28.9 86.8 59.9 40 40 A A > - 0 0 33 -29,-3.2 3,-2.4 -2,-0.2 4,-0.3 -0.295 49.2-123.0 -57.5 138.6 27.1 85.6 56.7 41 41 A G T 3 S+ 0 0 86 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.785 112.2 52.6 -55.0 -27.9 28.5 82.2 55.7 42 42 A T T 3> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.328 79.7 99.1 -91.9 8.1 29.4 83.6 52.3 43 43 A T H <> S+ 0 0 2 -3,-2.4 4,-2.8 2,-0.2 5,-0.2 0.886 80.5 50.1 -61.9 -41.9 31.4 86.6 53.7 44 44 A L H > S+ 0 0 60 -3,-0.4 4,-3.0 -4,-0.3 5,-0.2 0.976 113.6 41.5 -62.3 -60.1 34.8 84.9 53.2 45 45 A G H > S+ 0 0 46 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.923 120.5 45.4 -54.9 -45.5 34.4 83.9 49.6 46 46 A R H X S+ 0 0 138 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.879 113.2 48.0 -68.2 -38.6 32.7 87.2 48.7 47 47 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.3 0.892 111.2 52.1 -70.1 -36.3 35.2 89.3 50.7 48 48 A Q H X>S+ 0 0 47 -4,-3.0 4,-1.4 -5,-0.2 5,-1.3 0.942 113.5 44.2 -61.2 -45.7 38.1 87.4 49.0 49 49 A K H <5S+ 0 0 183 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.865 113.9 52.1 -65.6 -36.1 36.5 88.2 45.6 50 50 A L H <5S+ 0 0 59 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.905 119.3 32.2 -69.0 -44.0 35.9 91.7 46.7 51 51 A I H <5S- 0 0 7 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.561 102.6-131.9 -90.5 -8.6 39.4 92.5 47.8 52 52 A G T <5 + 0 0 58 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.891 66.8 110.6 60.4 43.2 40.9 90.2 45.1 53 53 A K S - 0 0 39 -2,-0.3 4,-2.1 -26,-0.1 5,-0.2 -0.398 34.9-100.3 -87.2 169.0 41.9 80.1 64.7 60 60 A R H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.894 126.4 49.5 -57.6 -39.6 41.8 81.5 68.3 61 61 A E H >>S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-1.1 0.923 106.1 55.5 -66.5 -42.6 44.9 79.5 69.1 62 62 A D H >5S+ 0 0 40 3,-0.2 4,-0.9 2,-0.2 7,-0.2 0.915 118.4 35.2 -54.4 -44.4 46.7 80.8 66.0 63 63 A V H X5S+ 0 0 2 -4,-2.1 4,-1.7 3,-0.2 5,-0.2 0.979 121.6 40.3 -74.4 -63.2 46.0 84.4 67.1 64 64 A E H <5S+ 0 0 69 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.827 131.7 26.5 -60.4 -32.9 46.2 84.3 70.9 65 65 A L H <5S+ 0 0 102 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.831 136.4 20.9-100.1 -37.3 49.2 82.0 71.0 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 5,-1.7 0.926 85.0 49.3 -56.7 -44.8 50.0 86.0 66.2 68 68 A E H 345S+ 0 0 77 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.537 114.8 45.8 -72.8 -5.3 53.6 87.2 66.5 69 69 A N H <45S+ 0 0 101 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.694 123.9 28.9-105.7 -28.5 54.9 84.0 64.7 70 70 A I H <5S+ 0 0 31 -4,-2.3 4,-0.2 -8,-0.2 -3,-0.2 0.838 133.3 19.5-100.2 -44.0 52.4 83.9 61.9 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.4 3,-1.1 0.901 115.6 55.8 -96.5 -52.8 51.3 87.5 61.1 72 72 A L T 344 S+ 0 0 70 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.873 107.0 44.7 -56.5 -35.5 56.9 88.4 60.7 74 74 A L G X> S+ 0 0 53 -3,-1.1 3,-1.4 1,-0.2 4,-1.2 0.851 101.9 64.9 -75.5 -37.1 55.3 89.3 57.3 75 75 A A G 3< S+ 0 0 0 -4,-1.4 32,-0.2 1,-0.2 -1,-0.2 0.484 88.1 76.2 -65.6 0.2 54.3 92.8 58.4 76 76 A K G <4 S+ 0 0 93 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.839 116.1 9.2 -80.4 -33.7 58.1 93.4 58.7 77 77 A E T <4 S+ 0 0 159 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.273 128.7 49.0-128.3 8.3 58.7 93.8 54.9 78 78 A N S < S- 0 0 47 -4,-1.2 2,-0.6 -76,-0.0 -51,-0.1 -0.958 83.9-101.9-145.7 161.7 55.1 93.8 53.6 79 79 A D - 0 0 44 -2,-0.3 -51,-2.1 -78,-0.2 -50,-1.5 -0.780 46.5-171.3 -86.3 120.8 51.7 95.5 54.1 80 80 A V E -bc 3 29A 0 -78,-3.0 -76,-3.1 -2,-0.6 2,-0.4 -0.912 12.5-159.0-119.7 144.0 49.6 93.1 56.0 81 81 A A E -bc 4 30A 0 -52,-2.1 -50,-3.1 -2,-0.4 2,-0.5 -0.927 3.9-162.7-120.6 146.0 45.9 93.2 56.9 82 82 A F E -bc 5 31A 0 -78,-2.8 -76,-2.4 -2,-0.4 2,-0.3 -0.967 17.0-156.8-127.8 109.8 44.0 91.3 59.6 83 83 A L E +bc 6 32A 1 -52,-3.2 -50,-1.8 -2,-0.5 -76,-0.2 -0.679 15.0 174.1 -93.3 144.0 40.3 91.2 59.1 84 84 A T E -b 7 0A 0 -78,-1.7 -76,-3.1 -2,-0.3 -75,-0.4 -0.965 36.7 -94.1-143.6 157.3 37.7 90.6 61.8 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.329 91.5 -15.2 -66.8 157.0 33.9 90.6 62.2 86 86 A G B S-E 9 0B 2 -77,-3.5 -77,-1.7 -79,-0.1 -78,-0.2 -0.149 129.0 -13.7 49.0-136.8 32.4 94.0 63.3 87 87 A D > - 0 0 0 446,-2.7 3,-1.1 -80,-0.2 25,-0.1 -0.864 69.0-132.0 -96.6 132.9 34.9 96.4 64.8 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.750 100.7 40.8 -53.8 -32.2 38.3 94.7 65.6 89 89 A L T > S+ 0 0 10 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.435 87.5 103.0-102.2 -0.9 38.6 96.1 69.1 90 90 A V T < S- 0 0 0 -3,-1.1 -3,-0.1 443,-0.3 26,-0.1 -0.756 102.5 -15.8 -91.2 117.3 35.1 95.8 70.4 91 91 A A T 3 S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.859 118.1 96.3 59.8 37.3 34.4 93.0 72.9 92 92 A T S < S- 0 0 22 -3,-0.5 -1,-0.3 441,-0.1 3,-0.3 -0.869 79.1-125.5-138.3 170.9 37.7 91.2 71.8 93 93 A T S > S+ 0 0 85 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 0.161 77.3 112.2-103.5 20.3 41.2 91.1 73.1 94 94 A H T >> + 0 0 1 -6,-0.4 3,-1.1 1,-0.3 4,-0.6 0.737 60.0 73.9 -65.7 -22.8 42.6 92.2 69.8 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-1.5 -3,-0.3 4,-0.6 0.897 89.2 60.5 -59.5 -34.9 43.8 95.5 71.2 96 96 A E H X> S+ 0 0 48 -3,-1.1 4,-1.5 1,-0.3 3,-0.8 0.801 91.4 68.3 -62.5 -27.1 46.6 93.7 73.0 97 97 A L H <> S+ 0 0 3 -3,-1.1 4,-2.3 -4,-0.4 -1,-0.3 0.791 90.0 62.4 -64.2 -25.4 47.8 92.5 69.6 98 98 A R H S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 3,-0.3 0.940 109.8 48.2 -60.6 -47.3 53.0 94.6 67.0 102 102 A K H ><5S+ 0 0 98 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.919 108.4 52.7 -60.5 -45.6 54.9 97.4 68.6 103 103 A R H 3<5S+ 0 0 166 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.801 108.5 52.1 -62.6 -27.3 57.3 95.2 70.5 104 104 A A T 3<5S- 0 0 43 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.313 121.8-109.1 -89.6 7.8 58.1 93.5 67.2 105 105 A G T < 5S+ 0 0 51 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.806 74.6 138.2 72.5 27.9 58.9 96.9 65.7 106 106 A V < - 0 0 7 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.915 48.7-137.8-111.0 129.7 55.7 96.8 63.5 107 107 A E E -a 2 0A 105 -106,-0.7 -104,-2.5 -2,-0.5 2,-0.3 -0.639 24.3-163.1 -81.9 140.6 53.5 99.8 63.0 108 108 A S E -a 3 0A 15 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.947 11.2-167.4-129.8 150.5 49.8 99.1 63.1 109 109 A Y E -a 4 0A 49 -106,-2.3 -104,-3.1 -2,-0.3 2,-0.5 -0.975 13.6-139.6-133.4 147.7 46.7 101.0 62.0 110 110 A V E -a 5 0A 6 -2,-0.3 2,-0.6 368,-0.2 -104,-0.2 -0.936 9.0-168.1-116.0 127.3 43.0 100.4 62.8 111 111 A I E -a 6 0A 3 -106,-3.1 -104,-2.4 -2,-0.5 -94,-0.1 -0.954 21.8-144.9-112.5 112.7 40.2 100.7 60.4 112 112 A H - 0 0 8 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.166 17.4-175.8 -72.9 168.0 36.8 100.7 62.1 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.928 45.3 -58.1-154.2 168.2 33.5 99.1 60.9 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.304 58.2-159.3 -56.5 137.5 29.9 99.0 62.1 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-0.9 -0.893 29.0-127.8-122.1 149.3 29.8 97.3 65.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.829 107.3 69.5 -63.2 -26.8 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 0.847 111.2 28.0 -60.3 -35.8 27.8 97.9 70.3 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-2.0 1,-0.1 -1,-0.2 0.707 106.9 74.1 -97.5 -22.8 26.6 101.0 68.4 119 119 A A H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 4,-0.2 0.670 73.2 86.3 -62.8 -15.8 24.0 99.2 66.3 120 120 A V G ><> + 0 0 1 -4,-0.8 3,-2.3 1,-0.3 5,-0.6 0.731 69.0 81.6 -55.1 -19.9 21.9 98.9 69.5 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.829 76.8 68.3 -55.8 -29.9 20.7 102.3 68.5 122 122 A I G < 5S+ 0 0 5 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.631 85.7 69.4 -68.3 -9.5 18.3 100.5 66.1 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.570 110.3-119.2 -82.2 -9.4 16.3 99.2 69.2 124 124 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.393 73.0 130.8 87.8 -6.2 15.1 102.8 69.9 125 125 A L S - 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0 0 6 76,-2.7 7,-0.3 1,-0.3 3,-0.2 0.520 39.3-136.3 -96.6 -9.7 28.6 108.1 56.9 275 9 B G B -R 352 0I 1 77,-1.9 77,-3.3 75,-0.5 -1,-0.3 -0.428 36.1 -39.6 92.2-164.8 31.0 107.0 59.6 276 10 B L S S- 0 0 5 5,-0.2 30,-0.3 75,-0.2 -1,-0.2 0.871 108.9 -16.0 -75.4 -50.1 33.6 108.7 61.6 277 11 B M S S+ 0 0 6 1,-0.3 30,-2.1 -3,-0.2 31,-0.3 0.722 107.7 21.2-131.7 -47.1 35.7 111.3 59.7 278 12 B D S > S- 0 0 22 29,-0.2 3,-2.1 28,-0.1 -1,-0.3 -0.695 81.3 -86.2-127.6-179.3 35.8 111.3 55.9 279 13 B E G > S+ 0 0 47 1,-0.3 3,-0.7 -2,-0.2 -261,-0.1 0.694 119.3 61.9 -60.8 -19.3 33.9 110.3 52.8 280 14 B R G 3 S+ 0 0 62 1,-0.2 -261,-2.5 -262,-0.1 -262,-0.4 0.466 82.5 80.6 -87.0 0.6 35.5 106.8 52.9 281 15 B D G < + 0 0 6 -3,-2.1 -1,-0.2 -7,-0.3 -5,-0.2 0.486 68.7 98.8 -85.5 -1.4 34.0 105.9 56.2 282 16 B I S < S- 0 0 1 -3,-0.7 -264,-2.5 -4,-0.2 -263,-0.3 -0.480 82.3-110.4 -77.0 155.3 30.7 105.0 54.7 283 17 B T B > -F 17 0C 0 -10,-0.5 4,-2.8 -266,-0.3 -266,-0.3 -0.478 18.1-114.2 -87.2 162.7 30.3 101.2 54.2 284 18 B V H > S+ 0 0 11 -268,-2.4 4,-2.6 -270,-0.3 5,-0.2 0.911 121.1 52.1 -58.5 -41.2 30.3 99.5 50.8 285 19 B K H > S+ 0 0 3 -271,-2.9 4,-2.0 -269,-0.3 -1,-0.2 0.933 110.9 46.5 -60.0 -47.7 26.6 98.6 51.5 286 20 B G H > S+ 0 0 0 -272,-0.3 4,-2.6 92,-0.2 -2,-0.2 0.895 113.0 48.7 -63.7 -41.4 25.8 102.2 52.3 287 21 B L H X S+ 0 0 19 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.944 111.4 48.1 -65.1 -49.1 27.5 103.6 49.2 288 22 B E H X S+ 0 0 85 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.884 115.2 45.9 -60.7 -39.0 25.9 101.1 46.8 289 23 B I H >< S+ 0 0 16 -4,-2.0 3,-1.1 -5,-0.2 4,-0.4 0.935 110.6 52.2 -70.0 -45.2 22.5 101.8 48.2 290 24 B A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.882 105.1 57.5 -57.4 -39.4 22.9 105.6 48.3 291 25 B K H 3< S+ 0 0 104 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.758 106.0 49.5 -63.4 -26.3 23.9 105.4 44.6 292 26 B K T << S+ 0 0 170 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.3 0.422 88.7 105.3 -93.6 0.0 20.6 103.8 43.7 293 27 B C < - 0 0 1 -3,-1.3 53,-0.2 -4,-0.4 3,-0.1 -0.618 63.4-146.8 -84.8 140.7 18.5 106.3 45.5 294 28 B D S S+ 0 0 84 51,-1.6 2,-0.4 -2,-0.3 52,-0.2 0.827 87.9 28.0 -72.0 -33.3 16.5 108.9 43.5 295 29 B Y E -p 346 0H 103 50,-1.4 52,-2.2 24,-0.1 2,-0.4 -0.985 68.2-164.7-132.6 141.5 16.9 111.5 46.3 296 30 B V E -p 347 0H 7 24,-0.4 26,-2.6 -2,-0.4 2,-0.3 -0.983 8.1-179.4-131.7 121.3 19.7 111.9 48.9 297 31 B F E -pq 348 322H 6 50,-3.2 52,-3.2 -2,-0.4 2,-0.3 -0.783 3.3-177.3-113.3 160.8 19.4 114.0 52.0 298 32 B A E -pq 349 323H 0 24,-1.9 26,-2.9 -2,-0.3 2,-0.4 -0.983 13.3-153.8-153.8 156.5 22.0 114.6 54.7 299 33 B E E + q 0 324H 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.990 10.2 180.0-134.5 143.8 22.3 116.4 58.0 300 34 B F + 0 0 33 24,-0.6 25,-0.1 -2,-0.4 50,-0.1 -0.101 61.5 91.7-133.9 33.9 25.5 117.7 59.6 301 35 B Y S S+ 0 0 8 23,-0.2 135,-0.4 1,-0.1 3,-0.1 0.719 81.3 56.0 -99.7 -28.6 24.2 119.3 62.8 302 36 B T S S- 0 0 23 1,-0.3 2,-0.3 134,-0.1 -1,-0.1 0.804 133.3 -27.7 -69.4 -28.9 24.6 116.2 65.1 303 37 B S - 0 0 6 232,-0.1 2,-0.4 49,-0.0 -1,-0.3 -0.968 64.3-116.2-170.4 173.1 28.2 116.2 64.1 304 38 B L - 0 0 16 -2,-0.3 2,-1.9 -3,-0.1 3,-0.1 -0.990 19.8-127.3-130.0 134.9 30.5 117.3 61.2 305 39 B M > - 0 0 13 -2,-0.4 3,-1.6 1,-0.2 -28,-0.1 -0.596 32.2-177.8 -78.1 86.0 32.7 115.1 59.0 306 40 B A T 3 S+ 0 0 50 -2,-1.9 -1,-0.2 -30,-0.3 -28,-0.1 0.607 72.6 61.3 -63.9 -14.4 35.9 117.1 59.7 307 41 B G T 3 S+ 0 0 35 -30,-2.1 -1,-0.3 -3,-0.1 2,-0.2 0.318 113.2 19.7 -97.2 10.1 38.0 114.9 57.4 308 42 B T S < S- 0 0 16 -3,-1.6 2,-0.3 -31,-0.3 3,-0.1 -0.819 71.8-116.9-154.6-168.7 36.1 115.7 54.3 309 43 B T > - 0 0 74 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.915 32.8-106.9-138.3 165.5 33.6 118.2 52.6 310 44 B L H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.904 120.7 57.0 -60.0 -37.9 30.1 118.0 51.2 311 45 B G H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 105.1 48.1 -59.8 -45.1 31.7 118.2 47.8 312 46 B R H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.853 113.0 48.9 -66.0 -33.6 33.9 115.2 48.3 313 47 B I H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.926 110.7 49.8 -71.5 -43.9 30.9 113.2 49.6 314 48 B Q H X>S+ 0 0 63 -4,-2.8 4,-2.4 1,-0.2 5,-1.1 0.904 110.3 51.7 -59.6 -41.8 28.7 114.2 46.7 315 49 B K H <5S+ 0 0 179 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.915 110.5 47.7 -61.1 -46.0 31.4 113.2 44.3 316 50 B L H <5S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.918 117.7 40.8 -62.8 -45.2 31.8 109.8 45.9 317 51 B I H <5S- 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.781 97.5-140.4 -74.9 -27.3 28.1 109.1 45.9 318 52 B G T <5 + 0 0 61 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.835 66.3 106.6 69.5 31.0 27.6 110.6 42.4 319 53 B K S - 0 0 54 -2,-0.4 4,-2.2 -26,-0.1 5,-0.2 -0.348 35.5 -97.2 -88.4 173.3 19.1 121.7 59.2 326 60 B R H > S+ 0 0 114 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.909 127.5 47.5 -57.2 -43.2 18.1 120.6 62.7 327 61 B E H >>S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 5,-1.3 0.897 106.5 56.6 -66.1 -41.2 14.7 122.3 62.2 328 62 B D H >5S+ 0 0 38 3,-0.2 4,-0.7 2,-0.2 7,-0.2 0.927 119.0 33.7 -53.9 -46.9 14.2 120.7 58.8 329 63 B V H X5S+ 0 0 1 -4,-2.2 4,-1.7 3,-0.2 -2,-0.2 0.988 122.8 40.9 -73.4 -64.3 14.6 117.3 60.4 330 64 B E H <5S+ 0 0 75 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.828 131.3 24.5 -57.1 -37.5 13.1 117.7 63.9 331 65 B L H <5S+ 0 0 104 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.826 135.4 23.5 -98.8 -37.0 10.1 119.8 62.8 332 66 B N H >XS+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 5,-1.8 0.893 82.0 54.3 -50.7 -43.0 11.0 115.5 58.3 334 68 B E H 345S+ 0 0 89 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.643 114.5 38.2 -69.7 -15.8 7.5 114.3 57.3 335 69 B N H <45S+ 0 0 89 -3,-1.8 -1,-0.2 -7,-0.2 -2,-0.2 0.537 125.0 36.3-110.6 -7.9 7.0 117.1 54.8 336 70 B I H <5S+ 0 0 21 -4,-1.6 4,-0.3 -3,-0.4 -3,-0.2 0.816 132.0 15.6-105.7 -50.9 10.5 117.3 53.3 337 71 B V T >X5S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 3,-0.5 0.913 118.8 55.3 -92.3 -52.0 11.8 113.7 53.2 338 72 B L H 3>4 S+ 0 0 67 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.928 108.5 43.9 -55.7 -44.2 6.7 112.7 50.7 340 74 B L H X> S+ 0 0 47 -3,-0.5 3,-1.0 -4,-0.3 4,-0.9 0.838 107.7 58.7 -68.2 -34.8 9.5 111.8 48.2 341 75 B A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 32,-0.2 0.691 91.3 72.9 -69.3 -16.9 10.1 108.4 49.8 342 76 B K T << S+ 0 0 124 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.822 116.8 16.1 -67.9 -30.1 6.5 107.5 49.2 343 77 B E T <4 S+ 0 0 162 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.295 130.2 37.2-125.3 7.4 7.1 107.1 45.4 344 78 B N S < S- 0 0 48 -4,-0.9 -76,-1.1 -76,-0.0 2,-0.6 -0.908 86.3 -92.9-148.3 172.9 10.9 106.8 45.2 345 79 B D E -n 268 0H 59 -2,-0.3 -51,-1.6 -53,-0.2 -50,-1.4 -0.848 48.0-172.3 -93.4 125.3 13.9 105.4 47.0 346 80 B V E -np 269 295H 0 -78,-2.8 -76,-3.3 -2,-0.6 2,-0.4 -0.939 12.8-154.0-124.0 143.9 15.3 108.0 49.4 347 81 B A E -np 270 296H 0 -52,-2.2 -50,-3.2 -2,-0.4 2,-0.5 -0.909 3.1-163.5-116.8 143.4 18.5 108.2 51.5 348 82 B F E -np 271 297H 0 -78,-2.9 -76,-2.4 -2,-0.4 2,-0.4 -0.957 16.6-158.3-125.8 108.2 19.1 110.1 54.7 349 83 B L E +np 272 298H 0 -52,-3.2 -50,-1.7 -2,-0.5 -76,-0.2 -0.714 13.9 175.3 -93.0 137.6 22.8 110.4 55.5 350 84 B T E -n 273 0H 3 -78,-1.8 -76,-2.7 -2,-0.4 -75,-0.5 -0.992 36.6-101.1-139.6 145.9 24.1 111.1 59.0 351 85 B P S S- 0 0 2 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.282 91.7 -2.9 -60.6 152.1 27.6 111.3 60.4 352 86 B G B S-R 275 0I 2 -77,-3.3 -77,-1.9 -79,-0.1 29,-0.2 -0.397 122.1 -16.9 69.9-140.0 28.5 108.1 62.4 353 87 B D S > S- 0 0 1 182,-1.9 3,-1.4 -80,-0.2 4,-0.4 -0.869 76.2-107.6-106.2 134.7 26.0 105.3 62.8 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.226 100.1 20.8 -60.1 151.5 22.3 106.0 62.2 355 89 B L T 3 S+ 0 0 7 1,-0.1 -228,-0.3 -233,-0.1 6,-0.2 0.550 91.0 106.4 67.4 8.5 19.9 106.2 65.2 356 90 B V < + 0 0 6 -3,-1.4 -229,-0.4 179,-0.1 -228,-0.2 0.904 58.7 84.1 -79.7 -43.9 22.8 106.9 67.6 357 91 B A S >> S- 0 0 20 -4,-0.4 3,-1.7 1,-0.1 4,-0.6 -0.382 95.1-119.0 -58.2 129.7 21.7 110.5 67.9 358 92 B T T 34 S+ 0 0 61 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.795 105.9 39.9 -41.1 -47.3 19.0 110.5 70.6 359 93 B T T 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 3,-0.4 0.545 94.0 82.3 -88.0 -5.9 16.1 111.8 68.5 360 94 B H T X4 S+ 0 0 4 -3,-1.7 3,-1.4 1,-0.2 4,-0.5 0.848 80.0 63.9 -69.2 -33.7 16.8 110.0 65.2 361 95 B A T >X S+ 0 0 9 -4,-0.6 3,-1.7 -3,-0.4 4,-0.6 0.885 95.4 61.8 -56.7 -37.2 15.1 106.7 66.2 362 96 B E H >> S+ 0 0 51 -3,-0.4 4,-1.7 -4,-0.3 3,-0.8 0.756 88.8 71.3 -61.2 -24.4 11.8 108.5 66.4 363 97 B L H <> S+ 0 0 3 -3,-1.4 4,-1.9 -4,-0.4 -1,-0.3 0.775 90.6 58.9 -64.4 -25.7 12.1 109.4 62.7 364 98 B R H <> S+ 0 0 29 -3,-1.7 4,-2.1 -4,-0.5 -1,-0.3 0.786 101.9 54.2 -73.5 -26.4 11.4 105.7 61.9 365 99 B I H <>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 3,-0.6 0.946 109.3 48.1 -59.2 -49.0 8.1 106.9 58.5 368 102 B K H ><5S+ 0 0 99 -4,-2.1 3,-2.2 1,-0.3 -2,-0.2 0.933 108.5 54.0 -57.0 -47.7 5.8 104.1 59.6 369 103 B R H 3<5S+ 0 0 166 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.771 108.9 50.4 -58.9 -25.8 3.0 106.6 60.2 370 104 B A T <<5S- 0 0 36 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.352 118.8-110.8 -94.5 5.5 3.4 107.8 56.7 371 105 B G T < 5S+ 0 0 46 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.802 74.5 137.0 70.5 28.2 3.2 104.3 55.2 372 106 B V < - 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