==== 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 04-MAR-07 2EH4 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.2 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 . 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 24.3 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 7 0 0 0 4 3 1 4 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 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 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 0 136 0, 0.0 106,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 33.4 56.0 97.1 57.0 2 2 A V E -ab 79 107A 7 76,-0.9 78,-3.1 104,-0.1 2,-0.5 -0.944 360.0-134.4-141.8 161.0 52.8 97.6 58.9 3 3 A L E -ab 80 108A 0 104,-2.6 106,-2.2 -2,-0.3 2,-0.5 -0.971 17.4-160.6-119.1 127.0 49.9 95.7 60.5 4 4 A Y E -ab 81 109A 35 76,-3.2 78,-3.2 -2,-0.5 2,-0.7 -0.913 8.5-155.4-109.6 127.6 46.2 96.6 60.0 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.3 -2,-0.5 2,-0.5 -0.907 25.3-174.3 -97.1 114.1 43.5 95.5 62.3 6 6 A I E -ab 83 111A 0 76,-2.4 78,-1.7 -2,-0.7 2,-0.2 -0.941 17.6-144.4-120.6 121.1 40.4 95.7 60.1 7 7 A G E -a 84 0A 0 104,-2.5 10,-0.5 -2,-0.5 80,-0.2 -0.554 3.1-161.1 -79.0 141.9 36.8 95.1 61.2 8 8 A L - 0 0 4 76,-3.0 7,-0.3 1,-0.3 3,-0.2 0.434 40.3-127.7 -99.8 -5.2 34.5 93.4 58.7 9 9 A G B -E 86 0B 0 77,-1.6 77,-3.4 75,-0.4 -1,-0.3 -0.308 32.7 -48.3 94.8-174.5 31.3 94.5 60.4 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.2 0.838 110.4 -7.1 -74.5 -43.6 28.0 93.0 61.7 11 11 A Y S S+ 0 0 55 1,-0.3 30,-2.2 28,-0.2 31,-0.3 0.747 113.2 13.7-128.7 -51.0 26.5 90.6 59.1 12 12 A D S > S- 0 0 7 29,-0.2 3,-2.2 28,-0.1 -1,-0.3 -0.780 79.9 -89.5-129.9 176.3 28.0 90.3 55.6 13 13 A E G > S+ 0 0 27 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.692 117.8 65.9 -60.0 -19.4 31.1 91.2 53.7 14 14 A R G 3 S+ 0 0 64 1,-0.2 271,-2.9 270,-0.1 270,-0.4 0.524 81.0 79.3 -81.1 -4.0 29.6 94.6 52.6 15 15 A D G < S+ 0 0 1 -3,-2.2 -1,-0.2 -7,-0.3 -5,-0.2 0.465 70.0 103.3 -81.2 -0.6 29.6 95.8 56.3 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.5 97,-0.1 269,-0.3 -0.513 81.8-109.9 -76.7 149.6 33.3 96.5 55.9 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.2 95,-0.4 266,-0.3 -0.397 20.9-115.5 -77.9 162.0 34.1 100.2 55.5 18 18 A V H > S+ 0 0 11 264,-2.4 4,-2.6 262,-0.4 5,-0.2 0.902 119.4 54.0 -61.9 -39.7 35.3 101.6 52.2 19 19 A K H > S+ 0 0 2 261,-2.6 4,-2.0 263,-0.3 5,-0.2 0.930 108.5 48.6 -58.9 -47.7 38.5 102.5 54.0 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -1,-0.2 0.889 112.1 48.7 -61.8 -41.1 38.9 98.9 55.2 21 21 A L H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 111.1 47.9 -65.7 -48.7 38.3 97.4 51.8 22 22 A E H X S+ 0 0 92 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.860 116.3 44.8 -62.3 -35.4 40.7 99.7 49.9 23 23 A I H >< S+ 0 0 19 -4,-2.0 3,-1.0 -5,-0.2 4,-0.3 0.923 112.4 50.5 -74.1 -44.9 43.5 99.0 52.4 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.886 104.1 60.1 -59.4 -39.2 42.8 95.3 52.6 25 25 A K H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.749 108.7 44.1 -61.1 -25.7 43.0 95.1 48.8 26 26 A K T << S+ 0 0 162 -3,-1.0 -1,-0.3 -4,-0.6 2,-0.2 0.330 87.3 110.8-103.6 6.6 46.5 96.4 48.8 27 27 A C < - 0 0 0 -3,-1.4 53,-0.2 -4,-0.3 3,-0.1 -0.560 62.2-142.3 -81.4 146.9 47.9 94.3 51.7 28 28 A D S S+ 0 0 84 51,-2.1 2,-0.4 1,-0.2 52,-0.2 0.904 86.9 24.6 -74.2 -42.6 50.5 91.6 50.9 29 29 A Y E -c 80 0A 110 50,-1.5 52,-2.4 24,-0.1 2,-0.5 -0.980 68.4-162.7-127.8 138.3 49.2 89.1 53.5 30 30 A V E +cd 81 55A 8 24,-0.5 26,-2.1 -2,-0.4 2,-0.2 -0.971 11.6 173.7-125.8 120.7 45.7 88.9 54.9 31 31 A F E +cd 82 56A 9 50,-3.2 52,-2.9 -2,-0.5 2,-0.3 -0.714 5.6 173.7-114.5 169.2 44.8 86.9 58.1 32 32 A A E -cd 83 57A 0 24,-1.6 26,-3.3 50,-0.3 2,-0.3 -0.983 20.8-145.3-166.8 166.7 41.5 86.7 60.0 33 33 A E - 0 0 0 50,-1.6 26,-0.1 -2,-0.3 24,-0.0 -0.987 7.4-175.8-141.1 144.7 39.6 85.1 62.8 34 34 A F + 0 0 55 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.204 65.3 89.0-133.8 40.0 36.0 84.2 63.1 35 35 A Y S S+ 0 0 16 23,-0.1 135,-0.4 3,-0.1 136,-0.1 0.609 75.7 63.4-109.7 -19.6 35.8 82.9 66.6 36 36 A T S S- 0 0 11 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.699 119.8 -10.2 -79.5 -18.5 35.0 86.2 68.4 37 37 A S - 0 0 3 496,-0.1 2,-0.4 49,-0.0 -1,-0.1 -0.962 69.3-105.2-164.3 176.9 31.7 86.6 66.7 38 38 A L - 0 0 37 -2,-0.3 2,-0.9 -28,-0.1 3,-0.1 -0.971 10.2-161.3-123.4 128.0 29.4 85.3 63.9 39 39 A M > - 0 0 13 -2,-0.4 3,-1.2 1,-0.1 -28,-0.2 -0.845 15.3-173.9-104.2 91.8 28.8 87.0 60.5 40 40 A A T 3 S+ 0 0 40 -2,-0.9 -28,-0.1 -30,-0.4 -1,-0.1 0.574 71.9 55.5 -66.6 -12.8 25.6 85.2 59.6 41 41 A G T 3 S+ 0 0 19 -30,-2.2 2,-0.3 -31,-0.1 -1,-0.2 0.221 104.2 43.5-109.2 17.7 25.2 86.6 56.1 42 42 A T < - 0 0 24 -3,-1.2 2,-0.3 -31,-0.3 -3,-0.1 -0.889 60.5-137.7-148.2 178.4 28.5 85.8 54.4 43 43 A T > - 0 0 77 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.899 35.1-106.6-136.4 164.3 31.2 83.2 53.8 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.886 121.3 54.5 -59.3 -38.1 35.0 83.2 53.8 45 45 A G H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.919 105.9 49.4 -62.1 -45.6 34.8 82.8 50.0 46 46 A R H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 113.0 48.4 -62.8 -35.5 32.6 85.9 49.6 47 47 A I H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.927 111.5 49.1 -69.8 -45.0 35.0 87.8 51.8 48 48 A Q H X>S+ 0 0 45 -4,-2.8 4,-2.6 1,-0.2 5,-1.2 0.902 111.4 50.3 -60.3 -41.3 38.0 86.6 49.8 49 49 A K H <5S+ 0 0 185 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.933 110.7 48.8 -62.8 -46.7 36.3 87.5 46.5 50 50 A L H <5S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 121.0 35.4 -60.4 -42.9 35.5 91.0 47.7 51 51 A I H <5S- 0 0 5 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.731 100.0-135.3 -85.1 -23.0 39.0 91.6 48.9 52 52 A G T <5 + 0 0 57 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.876 66.5 105.0 69.9 38.3 40.7 89.7 46.1 53 53 A K S - 0 0 41 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.419 34.7 -99.7 -90.5 170.7 42.1 79.8 65.6 60 60 A R H > S+ 0 0 102 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.886 127.0 50.4 -59.7 -36.5 41.9 81.3 69.1 61 61 A E H >>S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 5,-1.1 0.929 106.7 53.5 -67.4 -43.3 45.1 79.4 69.9 62 62 A D H >5S+ 0 0 42 3,-0.2 4,-0.9 2,-0.2 8,-0.2 0.922 119.5 35.6 -55.2 -45.0 46.9 80.6 66.8 63 63 A V H X5S+ 0 0 2 -4,-2.3 4,-1.6 3,-0.2 5,-0.2 0.979 120.2 42.5 -73.9 -61.8 46.1 84.2 67.9 64 64 A E H <5S+ 0 0 70 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.842 132.2 22.6 -59.5 -35.4 46.3 84.2 71.7 65 65 A L H <5S+ 0 0 109 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.791 135.9 26.2-102.4 -32.2 49.4 82.0 71.8 66 66 A N H >XS+ 0 0 0 -4,-1.6 4,-2.4 1,-0.3 5,-1.6 0.931 85.8 49.2 -51.8 -48.1 50.1 85.9 66.9 68 68 A E H 345S+ 0 0 75 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.634 116.6 43.3 -67.4 -13.6 53.7 87.1 67.2 69 69 A N H <45S+ 0 0 103 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.695 124.5 31.1-102.4 -26.9 54.9 83.9 65.5 70 70 A I H <5S+ 0 0 27 -4,-2.7 4,-0.3 -8,-0.2 -3,-0.2 0.857 132.9 17.7 -99.0 -45.8 52.4 83.7 62.8 71 71 A V T >X5S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.4 3,-0.8 0.916 115.8 56.0 -95.5 -54.2 51.4 87.3 61.9 72 72 A L H 3>4 S+ 0 0 72 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.905 107.2 45.1 -53.3 -41.6 57.0 88.2 61.4 74 74 A L H X> S+ 0 0 53 -3,-0.8 3,-1.2 -4,-0.3 4,-0.9 0.792 102.6 65.1 -71.4 -29.9 55.5 89.0 58.1 75 75 A A H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.3 32,-0.2 0.593 90.4 67.7 -70.3 -10.3 54.5 92.5 59.1 76 76 A K T << S+ 0 0 109 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.749 117.8 19.8 -80.7 -23.7 58.1 93.4 59.4 77 77 A E T <4 S+ 0 0 162 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.2 0.294 128.5 37.4-126.2 5.4 58.7 93.2 55.7 78 78 A N S < S- 0 0 42 -4,-0.9 -76,-0.9 -76,-0.0 2,-0.7 -0.918 82.6 -98.0-149.2 172.9 55.2 93.5 54.4 79 79 A D E -a 2 0A 44 -2,-0.3 -51,-2.1 -78,-0.2 -50,-1.5 -0.895 48.7-174.0 -98.0 114.7 51.8 95.2 54.8 80 80 A V E -ac 3 29A 0 -78,-3.1 -76,-3.2 -2,-0.7 2,-0.4 -0.900 13.6-157.4-117.2 143.1 49.6 92.8 56.7 81 81 A A E -ac 4 30A 0 -52,-2.4 -50,-3.2 -2,-0.4 2,-0.5 -0.914 3.7-161.0-118.4 144.7 45.9 92.9 57.6 82 82 A F E -ac 5 31A 0 -78,-3.2 -76,-2.4 -2,-0.4 2,-0.3 -0.959 17.9-158.6-125.3 108.6 44.1 91.0 60.4 83 83 A L E +ac 6 32A 0 -52,-2.9 -50,-1.6 -2,-0.5 -76,-0.2 -0.647 14.6 172.0 -92.4 145.4 40.4 90.9 59.8 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-3.0 -2,-0.3 -75,-0.4 -0.976 37.3 -95.5-146.6 157.4 37.7 90.3 62.5 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.327 92.4 -10.7 -67.9 158.2 33.9 90.3 62.7 86 86 A G B S-E 9 0B 0 -77,-3.4 -77,-1.6 -79,-0.1 -78,-0.3 -0.193 129.5 -15.7 52.5-138.0 32.3 93.6 63.9 87 87 A D > - 0 0 0 446,-2.8 3,-1.3 -80,-0.2 25,-0.1 -0.876 67.9-131.8 -98.7 131.4 34.9 96.1 65.3 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.760 101.3 40.5 -51.9 -33.2 38.3 94.4 66.1 89 89 A L T > S+ 0 0 10 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.445 88.0 102.6-102.1 -0.2 38.6 95.8 69.6 90 90 A V T < S- 0 0 0 -3,-1.3 -3,-0.1 443,-0.3 3,-0.1 -0.760 102.4 -17.1 -92.0 119.7 35.1 95.6 70.9 91 91 A A T 3 S+ 0 0 41 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.891 117.7 94.4 56.4 42.4 34.5 92.8 73.4 92 92 A T S < S- 0 0 22 -3,-0.5 -1,-0.3 441,-0.1 3,-0.2 -0.850 80.8-123.3-144.2 174.8 37.6 90.9 72.3 93 93 A T S > S+ 0 0 84 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 0.094 77.5 113.7-111.3 20.2 41.1 90.9 73.8 94 94 A H T >> + 0 0 1 -6,-0.4 3,-1.2 1,-0.2 4,-0.5 0.697 57.9 75.8 -65.0 -20.3 42.6 92.0 70.5 95 95 A A H >> S+ 0 0 13 1,-0.3 3,-2.0 -3,-0.2 4,-0.6 0.923 89.3 58.4 -56.9 -43.8 43.7 95.4 71.8 96 96 A E H X> S+ 0 0 49 -3,-0.8 4,-1.4 1,-0.3 3,-0.6 0.739 91.7 71.0 -58.0 -23.8 46.5 93.6 73.7 97 97 A L H <> S+ 0 0 2 -3,-1.2 4,-1.9 -4,-0.3 -1,-0.3 0.795 89.2 60.8 -65.4 -26.7 47.7 92.4 70.3 98 98 A R H <>S+ 0 0 0 -4,-1.9 5,-3.0 2,-0.2 3,-0.5 0.929 108.5 49.0 -61.4 -46.0 53.1 94.5 67.7 102 102 A K H ><5S+ 0 0 102 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.940 108.9 52.6 -59.5 -47.3 54.9 97.4 69.3 103 103 A R H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.741 108.6 51.2 -62.4 -21.9 57.3 95.1 71.1 104 104 A A T <<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.296 119.7-110.7 -96.3 8.0 58.1 93.4 67.8 105 105 A G T < 5S+ 0 0 51 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.748 74.9 135.9 70.3 23.3 58.8 96.8 66.2 106 106 A V < - 0 0 5 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.909 49.7-138.1-108.0 125.6 55.7 96.6 64.0 107 107 A E E -b 2 0A 121 -106,-0.7 -104,-2.6 -2,-0.5 2,-0.3 -0.592 23.0-161.6 -80.3 140.7 53.5 99.7 63.6 108 108 A S E -b 3 0A 16 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.922 10.8-166.2-126.3 152.8 49.8 99.0 63.7 109 109 A Y E -b 4 0A 56 -106,-2.2 -104,-3.1 -2,-0.3 2,-0.5 -0.973 14.9-136.4-134.1 148.6 46.6 100.8 62.6 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.922 10.3-168.2-113.3 126.9 43.0 100.2 63.4 111 111 A I E -b 6 0A 4 -106,-3.3 -104,-2.5 -2,-0.5 -94,-0.1 -0.944 21.9-146.0-112.5 108.7 40.2 100.4 60.8 112 112 A H - 0 0 9 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.131 17.0-175.5 -70.2 167.4 36.8 100.4 62.6 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.949 45.0 -61.3-154.4 164.2 33.6 98.8 61.3 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.296 57.8-158.2 -56.6 136.8 30.0 98.7 62.6 115 115 A S >> - 0 0 0 264,-0.3 4,-2.3 -29,-0.2 3,-0.9 -0.860 29.1-126.8-118.7 151.4 29.8 97.0 66.0 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.826 108.0 69.8 -63.2 -28.1 27.0 95.3 67.9 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.2 2,-0.2 3,-0.0 0.856 111.7 27.4 -59.7 -35.8 27.9 97.7 70.7 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-2.1 1,-0.1 -1,-0.2 0.735 107.2 73.4 -97.2 -25.5 26.5 100.7 68.8 119 119 A A H >< S+ 0 0 0 -4,-2.3 3,-2.5 1,-0.3 4,-0.2 0.699 73.8 86.2 -60.6 -17.1 24.0 98.8 66.7 120 120 A V G ><> + 0 0 1 -4,-1.0 3,-2.2 1,-0.3 5,-0.6 0.730 69.4 81.7 -56.3 -18.4 21.9 98.5 69.9 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.780 76.2 68.7 -58.3 -25.8 20.6 101.9 68.8 122 122 A I G < 5S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.627 86.1 68.4 -70.9 -10.3 18.2 100.2 66.4 123 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.616 110.9-120.1 -81.4 -12.1 16.3 98.9 69.4 124 124 A G T < 5S+ 0 0 2 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.417 71.2 132.4 89.1 -4.2 15.2 102.4 70.1 125 125 A L S - 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0 0 49 -2,-0.4 4,-1.9 -26,-0.1 5,-0.2 -0.263 35.1 -98.2 -80.9 175.0 19.2 121.4 59.4 326 60 B R H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.910 127.0 47.8 -60.7 -42.0 18.2 120.2 62.9 327 61 B E H >>S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 5,-1.2 0.904 105.4 57.8 -66.7 -41.3 14.8 121.9 62.5 328 62 B D H >5S+ 0 0 41 3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.927 117.6 34.8 -52.7 -46.5 14.3 120.4 59.0 329 63 B V H X5S+ 0 0 1 -4,-1.9 4,-1.6 3,-0.2 5,-0.2 0.989 122.4 40.4 -73.0 -63.9 14.7 116.9 60.6 330 64 B E H <5S+ 0 0 78 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.862 131.3 25.3 -57.4 -40.2 13.1 117.3 64.1 331 65 B L H <5S+ 0 0 100 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.837 135.4 23.6 -95.9 -35.3 10.2 119.4 63.0 332 66 B N H >XX>S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.3 5,-1.8 0.915 80.9 54.5 -53.8 -44.2 11.1 115.1 58.5 334 68 B E H 345S+ 0 0 90 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.645 115.3 37.1 -67.7 -16.3 7.6 113.9 57.5 335 69 B N H <45S+ 0 0 90 -3,-1.4 -1,-0.2 3,-0.1 -2,-0.2 0.460 124.6 37.5-113.7 -2.3 7.1 116.7 55.0 336 70 B I H <<5S+ 0 0 21 -4,-1.3 4,-0.3 -3,-0.6 -3,-0.2 0.785 131.8 15.3-109.7 -49.7 10.6 117.0 53.6 337 71 B V T X5S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.3 3,-0.4 0.899 119.8 54.8 -93.4 -50.8 12.0 113.4 53.5 338 72 B L H >4 S+ 0 0 70 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.943 108.6 44.6 -55.4 -46.5 6.9 112.3 50.9 340 74 B L H >> S+ 0 0 48 -3,-0.4 4,-1.0 -4,-0.3 3,-0.8 0.805 104.4 63.7 -65.6 -31.6 9.6 111.4 48.4 341 75 B A H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.2 32,-0.2 0.646 88.7 73.1 -68.9 -13.1 10.1 108.1 50.1 342 76 B K T << S+ 0 0 87 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.872 116.5 14.0 -69.0 -38.2 6.6 107.1 49.1 343 77 B E T <4 S+ 0 0 164 -3,-0.8 2,-0.3 -4,-0.5 -2,-0.2 0.281 128.2 46.1-120.6 7.9 7.4 106.7 45.4 344 78 B N S < S- 0 0 45 -4,-1.0 -76,-1.2 -49,-0.0 2,-0.6 -0.894 83.6-100.9-143.0 170.7 11.2 106.6 45.5 345 79 B D E -n 268 0H 61 -2,-0.3 -51,-1.9 -78,-0.2 -50,-1.4 -0.874 47.0-171.0 -94.6 124.2 14.2 105.0 47.3 346 80 B V E -np 269 295H 0 -78,-3.0 -76,-3.4 -2,-0.6 2,-0.4 -0.934 13.4-154.0-123.2 145.1 15.5 107.6 49.7 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.0 -2,-0.4 2,-0.5 -0.903 3.2-163.1-116.5 144.1 18.6 107.8 51.8 348 82 B F E -np 271 297H 0 -78,-2.7 -76,-2.2 -2,-0.4 2,-0.3 -0.941 17.8-157.8-127.1 104.5 19.2 109.8 55.0 349 83 B L E +np 272 298H 0 -52,-2.9 -50,-1.7 -2,-0.5 -76,-0.2 -0.659 14.8 174.2 -88.3 136.6 22.9 110.1 55.8 350 84 B T E -n 273 0H 2 -78,-2.0 -76,-3.0 -2,-0.3 -75,-0.4 -0.994 36.5-102.9-141.1 146.9 24.2 110.7 59.3 351 85 B P S S- 0 0 11 0, 0.0 -75,-0.2 0, 0.0 2,-0.2 -0.336 91.7 -1.4 -62.6 148.2 27.7 110.9 60.8 352 86 B G B S-R 275 0I 14 -77,-3.2 -77,-2.0 -79,-0.1 29,-0.2 -0.459 122.5 -18.7 74.8-141.9 28.6 107.7 62.8 353 87 B D S > S- 0 0 4 -80,-0.2 3,-1.4 -2,-0.2 4,-0.4 -0.900 76.4-108.1-107.5 130.2 26.0 104.9 63.2 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.152 100.4 22.3 -55.5 151.3 22.3 105.7 62.5 355 89 B L T 3 S+ 0 0 7 1,-0.1 -228,-0.3 -233,-0.1 6,-0.2 0.551 91.1 105.1 68.1 7.0 20.0 105.9 65.5 356 90 B V < + 0 0 22 -3,-1.4 -229,-0.4 -230,-0.1 -228,-0.2 0.922 58.9 84.6 -79.8 -46.9 22.8 106.5 67.9 357 91 B A S >> S- 0 0 29 -4,-0.4 3,-2.0 1,-0.1 4,-0.6 -0.330 96.0-118.4 -54.9 127.5 21.8 110.2 68.2 358 92 B T T 34 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.757 105.9 41.8 -39.3 -46.3 19.1 110.2 70.8 359 93 B T T 34 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.536 92.9 82.4 -87.7 -5.4 16.2 111.5 68.7 360 94 B H T X> S+ 0 0 3 -3,-2.0 3,-1.5 1,-0.2 4,-0.6 0.857 78.5 65.3 -69.7 -33.9 16.8 109.5 65.5 361 95 B A H >X S+ 0 0 8 -4,-0.6 3,-1.6 -3,-0.3 4,-0.6 0.891 96.4 59.4 -53.7 -40.4 15.1 106.3 66.5 362 96 B E H >> S+ 0 0 53 -3,-0.3 4,-1.7 -4,-0.3 3,-0.8 0.752 90.1 71.0 -61.5 -25.4 11.8 108.1 66.6 363 97 B L H <> S+ 0 0 3 -3,-1.5 4,-2.0 -4,-0.5 -1,-0.3 0.819 91.9 57.9 -62.6 -29.8 12.2 109.0 63.0 364 98 B R H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 3,-0.5 0.952 110.4 46.8 -61.0 -49.8 8.3 106.5 58.6 368 102 B K H ><5S+ 0 0 102 -4,-2.1 3,-2.5 1,-0.3 -2,-0.2 0.945 109.5 53.8 -57.0 -49.7 6.0 103.7 59.7 369 103 B R H 3<5S+ 0 0 163 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.774 109.4 50.7 -56.4 -26.8 3.1 106.2 60.4 370 104 B A T <<5S- 0 0 37 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.361 119.9-109.3 -93.9 4.8 3.6 107.5 56.9 371 105 B G T < 5S+ 0 0 36 -3,-2.5 2,-0.5 1,-0.3 -3,-0.2 0.768 75.6 135.3 73.9 25.4 3.4 104.0 55.3 372 106 B V < - 0 0 5 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.2 -0.923 50.8-137.6-111.1 128.4 7.1 104.1 54.5 373 107 B E E -o 268 0H 98 -106,-1.5 -104,-2.8 -2,-0.5 2,-0.4 -0.583 23.8-161.7 -79.4 145.1 9.3 101.1 55.1 374 108 B S E -o 269 0H 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.974 10.1-168.3-132.3 147.2 12.7 101.9 56.6 375 109 B Y E -o 270 0H 47 -106,-2.3 -104,-3.2 -2,-0.4 2,-0.5 -0.979 16.1-134.4-133.5 146.2 16.0 100.1 56.8 376 110 B V E -o 271 0H 6 -2,-0.3 2,-0.6 -164,-0.3 -104,-0.2 -0.875 10.7-167.4-106.8 127.5 19.2 100.8 58.8 377 111 B I E -o 272 0H 3 -106,-3.4 -104,-2.3 -2,-0.5 -94,-0.1 -0.951 23.8-144.2-113.4 109.0 22.7 100.6 57.3 378 112 B H + 0 0 3 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.200 21.6 175.6 -73.0 162.5 25.2 100.7 60.2 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -264,-0.1 -105,-0.1 -0.943 45.3 -60.7-156.0 166.2 28.6 102.3 60.3 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.261 51.0-164.6 -58.5 139.6 31.4 102.8 62.9 381 115 B S >> - 0 0 3 -268,-0.3 4,-2.6 -29,-0.2 3,-1.4 -0.914 31.9-120.7-124.0 150.9 30.3 104.9 65.9 382 116 B I H 3> S+ 0 0 28 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.798 109.7 72.5 -60.9 -25.7 32.5 106.5 68.5 383 117 B Y H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.862 113.7 23.6 -57.9 -34.4 30.7 104.4 71.1 384 118 B S H X4 S+ 0 0 0 -3,-1.4 3,-1.7 2,-0.1 -2,-0.2 0.732 114.7 66.6-100.7 -29.3 32.6 101.3 69.7 385 119 B A H >< S+ 0 0 0 -4,-2.6 3,-2.6 1,-0.3 -3,-0.2 0.779 83.0 75.6 -63.9 -27.1 35.6 103.1 68.3 386 120 B V G ><>S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 5,-0.5 0.584 71.9 86.9 -62.3 -5.0 36.7 104.2 71.8 387 121 B G G X 5S+ 0 0 3 -3,-1.7 3,-1.8 1,-0.3 -1,-0.3 0.740 72.0 73.8 -64.3 -19.5 37.8 100.6 72.0 388 122 B I G < 5S+ 0 0 5 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.629 80.3 71.1 -69.4 -11.3 41.0 101.9 70.4 389 123 B T G < 5S- 0 0 0 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.575 112.0-118.6 -78.8 -9.4 41.9 103.4 73.8 390 124 B G T < 5S+ 0 0 4 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.455 72.4 133.8 85.7 -2.1 42.5 99.9 75.1 391 125 B L < - 0 0 3 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.719 66.0-109.0 -84.2 130.2 39.7 100.4 77.7 392 126 B H > - 0 0 38 -2,-0.4 3,-1.1 1,-0.1 4,-0.2 -0.344 19.5-139.2 -60.1 131.2 37.4 97.3 77.8 393 127 B I G > S+ 0 0 4 -304,-0.3 3,-1.7 1,-0.2 -260,-0.2 0.858 98.7 61.5 -61.5 -36.3 34.0 98.1 76.3 394 128 B Y G 3 S+ 0 0 103 1,-0.3 -261,-2.2 -262,-0.1 -1,-0.2 0.771 96.3 62.5 -63.7 -23.3 32.1 96.2 78.9 395 129 B K G < S+ 0 0 20 -3,-1.1 32,-2.8 -263,-0.2 -1,-0.3 0.467 77.6 106.8 -82.5 -1.7 33.4 98.5 81.6 396 130 B F B < -s 427 0J 3 -3,-1.7 -263,-0.2 30,-0.2 32,-0.2 -0.572 50.5-170.3 -77.8 141.0 31.8 101.7 80.3 397 131 B G - 0 0 0 30,-3.0 32,-0.2 1,-0.4 -267,-0.1 -0.043 47.3 -22.2-106.2-148.0 28.9 103.0 82.2 398 132 B K - 0 0 71 19,-0.2 -1,-0.4 -269,-0.1 31,-0.3 -0.330 68.7-138.9 -59.9 143.6 26.3 105.7 81.5 399 133 B S + 0 0 3 -271,-2.1 2,-0.3 -269,-0.2 31,-0.2 -0.655 23.6 177.9-104.4 162.7 27.6 108.2 79.0 400 134 B A E -t 430 0K 15 29,-2.1 31,-2.8 -2,-0.2 2,-0.4 -0.950 24.6-117.3-155.3 174.1 27.2 112.0 79.0 401 135 B T E -t 431 0K 79 -2,-0.3 2,-0.7 29,-0.2 13,-0.2 -0.962 18.1-136.9-123.5 136.6 27.9 115.3 77.2 402 136 B V E -t 432 0K 0 29,-3.1 31,-1.6 -2,-0.4 2,-0.4 -0.837 29.0-166.3 -93.1 113.5 29.9 118.2 78.6 403 137 B A - 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