==== 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 02-MAR-07 2EGS . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,Y.MATSUURA,B.S.KRISHNA SWAMY,D.K.SIMANSHU,M.R.N.M . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.0 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 . 2 0.4 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 25.4 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 6 0 1 0 2 4 2 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 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 0 146 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 51.6 55.8 97.0 54.9 2 2 A V E -ab 79 107A 16 76,-0.5 78,-2.9 104,-0.1 2,-0.4 -0.869 360.0-137.8-129.9 160.5 52.6 97.8 56.8 3 3 A L E -ab 80 108A 0 104,-2.3 106,-2.3 -2,-0.3 2,-0.4 -0.987 15.8-162.4-123.1 126.0 49.8 95.8 58.5 4 4 A Y E -ab 81 109A 34 76,-2.9 78,-3.0 -2,-0.4 2,-0.7 -0.916 9.8-155.0-110.1 130.6 46.1 96.7 58.1 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.2 -2,-0.4 2,-0.5 -0.924 26.1-174.4-100.4 113.8 43.4 95.5 60.4 6 6 A I E -ab 83 111A 0 76,-2.8 78,-1.6 -2,-0.7 2,-0.2 -0.947 18.3-141.9-121.6 124.5 40.2 95.7 58.3 7 7 A G E -a 84 0A 0 104,-2.2 10,-0.5 -2,-0.5 80,-0.2 -0.549 5.2-163.8 -79.9 142.0 36.7 95.1 59.3 8 8 A L - 0 0 3 76,-2.7 7,-0.3 78,-0.3 3,-0.2 0.510 40.9-131.5 -99.8 -10.9 34.3 93.3 56.9 9 9 A G B -E 86 0B 1 77,-1.7 77,-4.1 75,-0.4 -1,-0.3 -0.393 31.6 -46.2 97.5-172.1 31.2 94.3 58.7 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.2 0.811 110.3 -8.3 -75.3 -42.1 28.0 92.7 60.0 11 11 A Y S S+ 0 0 53 1,-0.3 30,-2.2 -3,-0.2 31,-0.3 0.711 112.0 18.0-131.6 -54.1 26.5 90.4 57.4 12 12 A D S > S- 0 0 19 29,-0.2 3,-2.2 28,-0.1 -1,-0.3 -0.753 78.7 -92.8-125.7 175.1 27.8 90.3 53.8 13 13 A E G > S+ 0 0 36 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.722 118.0 64.7 -59.2 -21.8 30.9 91.2 51.8 14 14 A R G 3 S+ 0 0 67 1,-0.2 271,-2.8 270,-0.1 272,-0.3 0.445 80.8 81.2 -82.7 2.2 29.4 94.6 50.9 15 15 A D G < + 0 0 1 -3,-2.2 -1,-0.2 -7,-0.3 -5,-0.2 0.467 68.9 101.9 -84.3 -1.3 29.5 95.6 54.6 16 16 A I S < S- 0 0 0 -3,-1.0 268,-2.5 97,-0.1 269,-0.3 -0.499 83.7-108.6 -76.0 151.0 33.2 96.5 54.2 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.483 21.3-116.6 -79.7 157.2 33.8 100.2 53.9 18 18 A V H > S+ 0 0 8 264,-2.6 4,-3.1 262,-0.3 5,-0.2 0.909 119.0 55.3 -57.0 -39.6 34.9 101.6 50.5 19 19 A K H > S+ 0 0 18 261,-2.6 4,-2.3 263,-0.4 -1,-0.2 0.940 108.4 46.2 -58.0 -49.1 38.1 102.6 52.3 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.8 92,-0.2 -1,-0.2 0.901 114.0 48.0 -62.0 -42.3 38.7 99.1 53.5 21 21 A L H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.954 110.4 51.5 -62.7 -50.9 38.0 97.6 50.1 22 22 A E H X S+ 0 0 64 -4,-3.1 4,-0.7 1,-0.2 -2,-0.2 0.912 115.8 41.4 -51.7 -49.6 40.2 100.1 48.3 23 23 A I H >X S+ 0 0 27 -4,-2.3 3,-0.9 -5,-0.2 4,-0.5 0.919 112.3 53.5 -67.3 -45.7 43.1 99.3 50.6 24 24 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.928 103.4 58.0 -55.0 -48.0 42.6 95.5 50.7 25 25 A K H 3< S+ 0 0 86 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.757 108.9 46.1 -54.0 -29.4 42.6 95.4 46.9 26 26 A K H << S+ 0 0 161 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.442 88.2 107.6 -97.3 -0.9 46.1 96.9 46.9 27 27 A C << - 0 0 3 -3,-1.8 53,-0.2 -4,-0.5 3,-0.1 -0.399 64.0-141.1 -75.8 156.5 47.7 94.7 49.6 28 28 A D S S+ 0 0 77 51,-2.3 2,-0.4 1,-0.3 52,-0.2 0.824 87.4 24.8 -84.5 -35.3 50.2 92.0 48.7 29 29 A Y E -c 80 0A 77 50,-1.8 52,-2.2 24,-0.1 2,-0.5 -0.994 67.2-163.8-133.7 138.3 49.0 89.5 51.2 30 30 A V E +cd 81 55A 1 24,-0.6 26,-2.5 -2,-0.4 2,-0.2 -0.972 10.9 174.8-129.1 118.6 45.5 89.2 52.8 31 31 A F E +cd 82 56A 8 50,-3.4 52,-2.7 -2,-0.5 2,-0.3 -0.696 5.3 178.5-112.3 169.0 44.7 87.1 55.9 32 32 A A E -cd 83 57A 0 24,-1.9 26,-3.4 50,-0.3 2,-0.4 -0.987 19.5-147.8-165.0 161.2 41.5 86.8 57.8 33 33 A E - 0 0 0 50,-1.8 26,-0.1 -2,-0.3 24,-0.0 -0.987 7.0-176.3-135.7 143.1 39.8 85.1 60.8 34 34 A F + 0 0 59 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.135 63.1 88.1-132.5 38.5 36.2 84.1 61.0 35 35 A Y S S+ 0 0 16 23,-0.2 135,-0.4 1,-0.1 136,-0.1 0.554 73.8 66.8-111.2 -13.1 35.9 82.8 64.5 36 36 A T S S- 0 0 15 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.695 118.3 -11.4 -81.1 -18.9 35.1 86.0 66.4 37 37 A S S S- 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.955 70.6-101.4-163.9 179.7 31.7 86.3 64.7 38 38 A L - 0 0 34 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.1 -0.967 11.6-162.1-123.9 123.9 29.5 85.1 62.0 39 39 A M > - 0 0 17 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.844 15.4-179.2-100.5 95.3 28.8 86.7 58.6 40 40 A A T 3 + 0 0 39 -2,-1.0 -28,-0.1 -30,-0.4 -1,-0.1 0.516 69.1 59.8 -76.3 -5.7 25.6 84.9 57.6 41 41 A G T 3 S+ 0 0 18 -30,-2.2 2,-0.2 -31,-0.1 -1,-0.2 0.268 104.9 30.7-109.8 15.1 25.1 86.6 54.3 42 42 A T < - 0 0 19 -3,-0.9 2,-0.3 -31,-0.3 3,-0.1 -0.785 63.1-130.7-149.6-169.0 28.3 85.8 52.4 43 43 A T > - 0 0 74 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.949 34.8-103.8-147.9 163.9 31.0 83.3 51.8 44 44 A L H > S+ 0 0 67 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.937 120.5 56.3 -56.2 -45.7 34.8 83.3 51.6 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 106.5 47.1 -53.7 -45.9 34.5 83.0 47.8 46 46 A R H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 113.0 49.7 -66.7 -35.2 32.4 86.1 47.5 47 47 A I H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.916 111.5 48.8 -69.0 -42.0 34.8 88.0 49.8 48 48 A Q H X>S+ 0 0 58 -4,-3.1 4,-1.6 1,-0.2 5,-0.9 0.894 110.8 50.7 -63.8 -39.0 37.8 86.8 47.7 49 49 A K H <5S+ 0 0 183 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.877 110.0 51.0 -66.2 -37.6 36.0 87.8 44.5 50 50 A L H <5S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.922 118.4 34.7 -67.1 -46.4 35.3 91.3 45.9 51 51 A I H <5S- 0 0 3 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.624 100.4-133.4 -85.4 -13.2 38.8 92.1 47.0 52 52 A G T <5 + 0 0 60 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.795 69.0 102.4 66.8 29.7 40.5 90.2 44.1 53 53 A K S - 0 0 36 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.357 35.6 -98.2 -87.2 172.9 42.2 79.8 63.2 60 60 A R H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.863 127.2 50.2 -60.5 -35.6 42.1 81.2 66.7 61 61 A E H >>S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 5,-0.9 0.908 106.4 54.4 -69.7 -41.2 45.3 79.2 67.5 62 62 A D H >5S+ 0 0 49 3,-0.2 4,-1.3 2,-0.2 7,-0.2 0.940 118.0 36.2 -56.4 -48.3 47.0 80.6 64.4 63 63 A V H X5S+ 0 0 1 -4,-2.2 4,-1.7 3,-0.2 5,-0.2 0.994 121.0 41.4 -68.5 -65.7 46.3 84.2 65.5 64 64 A E H <5S+ 0 0 77 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.816 130.4 26.7 -55.4 -36.2 46.6 84.0 69.3 65 65 A L H <5S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.2 0.802 136.1 21.6 -98.9 -33.5 49.7 81.8 69.3 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 5,-1.7 0.924 85.5 50.0 -58.6 -42.7 50.3 85.9 64.6 68 68 A E H 345S+ 0 0 81 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.580 115.1 44.0 -72.3 -9.3 53.9 87.1 64.8 69 69 A N H <45S+ 0 0 104 -3,-1.2 -1,-0.2 -7,-0.2 -2,-0.2 0.668 124.2 30.7-106.1 -23.4 55.1 84.0 63.0 70 70 A I H <5S+ 0 0 54 -4,-2.2 4,-0.3 -8,-0.2 -3,-0.2 0.863 132.3 18.9-100.7 -49.4 52.5 83.9 60.3 71 71 A V T >X5S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.4 3,-0.9 0.927 117.0 54.0 -91.2 -53.3 51.4 87.4 59.5 72 72 A L H 3>4 S+ 0 0 72 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.883 108.9 44.1 -57.1 -36.0 57.1 88.4 59.0 74 74 A L H X> S+ 0 0 44 -3,-0.9 3,-1.6 -4,-0.3 4,-1.0 0.835 102.7 65.9 -75.5 -34.3 55.4 89.2 55.7 75 75 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 32,-0.2 0.622 89.2 68.7 -64.2 -13.3 54.3 92.7 56.8 76 76 A K T << S+ 0 0 121 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.656 117.2 18.7 -82.2 -14.9 58.0 93.7 57.0 77 77 A E T <4 S+ 0 0 161 -3,-1.6 2,-0.3 -4,-0.2 -2,-0.2 0.301 127.7 40.7-133.4 4.1 58.5 93.6 53.2 78 78 A N S < S- 0 0 42 -4,-1.0 2,-0.6 -76,-0.1 -76,-0.5 -0.939 84.2 -98.9-147.9 166.8 54.9 93.7 51.9 79 79 A D E -a 2 0A 52 -2,-0.3 -51,-2.3 -78,-0.2 -50,-1.8 -0.833 48.2-172.4 -90.8 119.7 51.6 95.4 52.5 80 80 A V E -ac 3 29A 0 -78,-2.9 -76,-2.9 -2,-0.6 2,-0.4 -0.916 13.1-159.9-120.3 144.7 49.5 93.0 54.5 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.4 -2,-0.4 2,-0.5 -0.932 4.8-160.5-122.1 145.7 45.8 93.0 55.6 82 82 A F E -ac 5 31A 0 -78,-3.0 -76,-2.8 -2,-0.4 2,-0.3 -0.981 17.8-158.9-125.4 112.7 44.1 91.1 58.3 83 83 A L E +ac 6 32A 0 -52,-2.7 -50,-1.8 -2,-0.5 -76,-0.2 -0.685 13.9 173.2 -96.7 148.4 40.3 90.9 57.9 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-2.7 -2,-0.3 -75,-0.4 -0.973 37.8 -95.5-147.1 157.4 37.7 90.2 60.6 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.348 92.5 -11.6 -69.4 161.1 33.9 90.2 60.7 86 86 A G B S-E 9 0B 1 -77,-4.1 -77,-1.7 -79,-0.1 -78,-0.3 -0.165 129.1 -13.9 50.2-137.5 32.3 93.4 62.0 87 87 A D > - 0 0 0 446,-2.5 3,-1.6 -80,-0.2 25,-0.1 -0.868 66.0-134.4 -98.1 129.1 34.8 95.9 63.5 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.690 100.4 42.1 -55.6 -23.2 38.3 94.3 64.2 89 89 A L T 3 S+ 0 0 8 444,-0.1 2,-0.6 5,-0.1 304,-0.3 0.220 89.1 99.2-112.9 14.3 38.6 95.8 67.7 90 90 A V S < S- 0 0 0 -3,-1.6 -3,-0.1 1,-0.2 3,-0.1 -0.906 102.9 -14.6-106.6 119.4 35.1 95.4 69.1 91 91 A A S S+ 0 0 43 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.855 116.8 96.9 59.6 36.0 34.5 92.4 71.5 92 92 A T S S- 0 0 22 -3,-0.2 -1,-0.3 441,-0.1 3,-0.2 -0.826 78.1-126.6-136.0 175.3 37.8 90.8 70.4 93 93 A T S > S+ 0 0 87 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 0.144 76.8 111.6-108.3 19.0 41.3 90.6 71.8 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.6 1,-0.2 4,-0.6 0.743 57.3 76.8 -67.9 -21.8 42.8 91.8 68.5 95 95 A A H >> S+ 0 0 18 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.919 88.9 60.0 -55.5 -36.8 43.9 95.2 69.9 96 96 A E H X> S+ 0 0 59 -3,-1.1 4,-1.5 1,-0.3 3,-0.9 0.778 90.2 70.3 -61.3 -25.7 46.8 93.4 71.6 97 97 A L H <> S+ 0 0 3 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.3 0.769 89.0 62.5 -64.7 -22.2 47.9 92.3 68.1 98 98 A R H S+ 0 0 0 -4,-1.9 5,-3.1 2,-0.2 -1,-0.2 0.928 107.8 50.2 -62.6 -45.1 53.1 94.6 65.4 102 102 A K H ><5S+ 0 0 100 -4,-2.1 3,-2.5 1,-0.2 -2,-0.2 0.949 108.2 52.3 -57.6 -51.1 55.0 97.4 67.2 103 103 A R H 3<5S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.867 108.2 51.5 -53.0 -40.8 57.5 94.9 68.7 104 104 A A T 3<5S- 0 0 31 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.421 119.9-113.0 -78.1 2.4 58.1 93.4 65.2 105 105 A G T < 5S+ 0 0 59 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.849 72.5 138.9 68.8 33.5 58.8 96.9 64.0 106 106 A V < - 0 0 3 -5,-3.1 -1,-0.2 -6,-0.1 2,-0.2 -0.953 49.8-136.4-115.5 121.6 55.7 96.8 61.8 107 107 A E E -b 2 0A 135 -106,-0.6 -104,-2.3 -2,-0.5 2,-0.3 -0.530 25.2-160.2 -73.5 138.3 53.4 99.9 61.6 108 108 A S E -b 3 0A 14 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.921 10.2-166.7-124.7 150.7 49.7 99.0 61.8 109 109 A Y E -b 4 0A 63 -106,-2.3 -104,-3.0 -2,-0.3 2,-0.5 -0.957 12.8-138.6-132.6 151.0 46.6 100.8 60.7 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.944 10.0-169.5-118.6 128.6 42.9 100.2 61.5 111 111 A I E -b 6 0A 3 -106,-3.2 -104,-2.2 -2,-0.5 -94,-0.1 -0.964 21.9-143.8-114.3 116.2 40.0 100.4 59.1 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.215 17.0-174.3 -76.5 166.4 36.6 100.3 60.9 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.949 44.8 -60.3-151.4 165.6 33.4 98.6 59.7 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.249 57.6-157.9 -52.8 136.0 29.8 98.4 60.9 115 115 A S >> - 0 0 0 264,-0.3 4,-2.6 -29,-0.2 3,-1.1 -0.916 27.0-131.5-121.0 146.5 29.7 96.8 64.4 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.832 105.7 70.0 -62.3 -29.0 26.9 95.0 66.2 117 117 A Y H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 46,-0.0 0.836 114.3 24.1 -58.2 -34.5 27.8 97.1 69.2 118 118 A S H X4 S+ 0 0 0 -3,-1.1 3,-2.1 1,-0.1 -1,-0.2 0.703 109.0 74.4-102.7 -24.7 26.4 100.2 67.4 119 119 A A H >< S+ 0 0 0 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.753 75.9 82.4 -59.2 -22.3 24.1 98.4 65.1 120 120 A V G ><> + 0 0 0 -4,-1.2 3,-2.2 1,-0.3 5,-0.5 0.647 67.8 85.5 -58.4 -11.9 21.8 97.9 68.1 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.793 74.0 71.4 -60.5 -23.7 20.6 101.4 67.4 122 122 A I G < 5S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.626 82.2 70.0 -69.9 -11.6 18.2 99.8 64.9 123 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.619 112.4-117.7 -76.2 -11.8 16.2 98.4 67.9 124 124 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.376 72.4 133.6 91.6 -6.2 15.1 102.0 68.6 125 125 A L < - 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0 0 1 -3,-0.9 53,-0.2 -4,-0.6 3,-0.1 -0.470 64.6-144.7 -76.9 146.9 18.4 105.7 44.2 294 28 B D S S+ 0 0 81 51,-2.1 2,-0.4 1,-0.2 52,-0.2 0.826 87.5 23.0 -76.9 -33.3 16.2 108.2 42.3 295 29 B Y E -p 346 0H 80 50,-1.3 52,-2.3 24,-0.1 2,-0.5 -0.993 67.5-161.2-136.3 141.3 16.7 110.9 45.0 296 30 B V E +p 347 0H 2 24,-0.4 26,-2.2 -2,-0.4 2,-0.3 -0.981 10.9 177.3-128.9 122.6 19.3 111.3 47.7 297 31 B F E -pq 348 322H 3 50,-3.2 52,-2.7 -2,-0.5 2,-0.3 -0.713 5.2-174.2-112.8 168.6 18.9 113.4 50.8 298 32 B A E -pq 349 323H 0 24,-1.6 26,-3.1 50,-0.3 2,-0.4 -0.982 14.8-148.2-161.3 153.5 21.3 113.9 53.7 299 33 B E E + q 0 324H 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.980 11.4 178.6-128.0 139.8 21.6 115.6 57.1 300 34 B F + 0 0 34 24,-0.7 26,-0.1 -2,-0.4 50,-0.1 -0.309 62.3 88.0-134.1 48.1 24.7 117.1 58.6 301 35 B Y S S+ 0 0 23 23,-0.1 135,-0.3 24,-0.1 3,-0.1 0.579 79.1 58.0-118.3 -25.1 23.3 118.3 61.9 302 36 B T S S- 0 0 42 1,-0.3 2,-0.3 134,-0.1 -2,-0.1 0.793 132.3 -36.9 -72.0 -27.9 23.6 115.3 64.1 303 37 B S - 0 0 41 -4,-0.0 -1,-0.3 54,-0.0 2,-0.3 -0.966 65.5-108.4-172.7-175.4 27.3 115.5 63.3 304 38 B L - 0 0 14 -2,-0.3 2,-0.7 -3,-0.1 3,-0.1 -0.830 17.1-124.6-128.1 167.2 29.7 116.3 60.4 305 39 B M > - 0 0 14 -2,-0.3 3,-1.4 1,-0.1 -28,-0.1 -0.836 31.1-178.3-111.8 87.5 32.1 114.5 58.1 306 40 B A T 3 S+ 0 0 36 -2,-0.7 -28,-0.1 -30,-0.3 -1,-0.1 0.684 72.0 58.6 -62.0 -24.2 35.3 116.5 58.9 307 41 B G T 3 S+ 0 0 19 -30,-2.2 -28,-0.2 -3,-0.1 -1,-0.2 0.349 112.4 23.8 -92.1 8.3 37.5 114.6 56.4 308 42 B T S < S- 0 0 15 -3,-1.4 2,-0.3 -31,-0.4 -3,-0.1 -0.815 71.6-116.3-151.3-170.2 35.6 115.4 53.3 309 43 B T > - 0 0 73 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.922 31.2-108.9-136.3 161.9 33.1 117.8 51.6 310 44 B L H > S+ 0 0 67 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.873 120.5 55.5 -57.5 -36.1 29.6 117.6 50.3 311 45 B G H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 106.2 48.7 -64.7 -41.7 31.1 117.9 46.8 312 46 B R H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.860 113.5 47.2 -68.5 -35.1 33.4 115.0 47.3 313 47 B I H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.917 111.2 50.9 -70.2 -43.9 30.5 112.8 48.6 314 48 B Q H X>S+ 0 0 62 -4,-2.8 4,-2.2 -5,-0.2 5,-1.1 0.923 110.5 50.2 -55.8 -44.5 28.3 113.9 45.7 315 49 B K H <5S+ 0 0 170 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.907 110.3 49.2 -62.5 -40.8 31.1 113.0 43.2 316 50 B L H <5S+ 0 0 43 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.908 117.9 39.2 -65.2 -41.9 31.6 109.5 44.7 317 51 B I H <5S- 0 0 4 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.745 99.0-138.5 -80.3 -24.5 27.8 108.7 44.7 318 52 B G T <5 + 0 0 59 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.858 66.4 105.5 68.4 34.9 27.3 110.4 41.3 319 53 B K S - 0 0 59 -2,-0.4 4,-1.9 -26,-0.1 5,-0.2 -0.281 35.4 -97.0 -83.7 174.3 18.5 121.0 58.2 326 60 B R H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.890 126.9 47.9 -60.7 -39.7 17.3 119.9 61.6 327 61 B E H >>S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-1.2 0.899 105.3 58.6 -69.2 -39.2 14.0 121.7 61.1 328 62 B D H >5S+ 0 0 47 3,-0.2 4,-0.9 2,-0.2 7,-0.2 0.925 118.0 32.6 -53.6 -45.7 13.5 120.2 57.6 329 63 B V H X5S+ 0 0 2 -4,-1.9 4,-1.9 3,-0.2 5,-0.2 0.983 122.1 41.8 -76.5 -63.9 13.7 116.7 59.2 330 64 B E H <5S+ 0 0 78 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.852 132.1 25.8 -55.6 -36.6 12.2 117.0 62.7 331 65 B L H <5S+ 0 0 96 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.2 0.859 136.9 21.1 -96.6 -40.7 9.4 119.2 61.4 332 66 B N H >XS+ 0 0 0 -4,-1.9 4,-1.9 1,-0.3 5,-1.6 0.899 82.4 51.5 -53.5 -43.7 10.4 114.9 57.0 334 68 B E H 345S+ 0 0 85 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.541 114.1 44.2 -72.9 -5.7 7.0 113.6 55.9 335 69 B N H <45S+ 0 0 109 -3,-1.9 -1,-0.2 -7,-0.2 -2,-0.2 0.596 123.2 31.4-110.8 -17.0 6.7 116.5 53.4 336 70 B I H <5S+ 0 0 51 -4,-1.6 4,-0.3 -3,-0.3 -3,-0.2 0.818 132.0 18.8-106.2 -47.2 10.1 116.5 51.9 337 71 B V T X5S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 3,-0.3 0.915 117.0 53.7 -93.9 -53.3 11.4 113.0 51.9 338 72 B L H >> S+ 0 0 65 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.945 109.9 40.3 -53.1 -50.5 6.4 111.8 49.4 340 74 B L H >> S+ 0 0 49 -3,-0.3 4,-1.0 -4,-0.3 3,-1.0 0.826 109.0 61.6 -66.6 -33.1 9.1 110.9 46.8 341 75 B A H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.2 32,-0.2 0.716 93.3 67.2 -65.3 -19.5 9.8 107.7 48.7 342 76 B K H << S+ 0 0 85 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.806 118.7 18.2 -70.9 -29.2 6.2 106.7 47.9 343 77 B E H << S+ 0 0 157 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.281 128.2 38.5-124.8 9.4 6.9 106.5 44.2 344 78 B N S < S- 0 0 45 -4,-1.0 -76,-1.3 -5,-0.1 2,-0.6 -0.915 84.7 -94.6-149.9 173.1 10.7 106.2 44.1 345 79 B D E -n 268 0H 61 -2,-0.3 -51,-2.1 -78,-0.2 -50,-1.3 -0.877 49.6-172.2 -94.7 120.2 13.7 104.7 45.8 346 80 B V E -np 269 295H 0 -78,-3.1 -76,-3.1 -2,-0.6 2,-0.4 -0.931 13.9-154.9-121.6 142.2 15.1 107.3 48.1 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.2 -2,-0.4 2,-0.5 -0.892 2.8-164.7-114.8 144.0 18.2 107.5 50.2 348 82 B F E -np 271 297H 0 -78,-2.9 -76,-2.4 -2,-0.4 2,-0.3 -0.954 16.4-155.6-128.2 106.7 18.8 109.5 53.4 349 83 B L E +np 272 298H 0 -52,-2.7 -50,-1.9 -2,-0.5 -76,-0.2 -0.629 14.3 177.8 -87.3 142.7 22.4 109.8 54.3 350 84 B T E -n 273 0H 0 -78,-2.0 -76,-3.0 -2,-0.3 -75,-0.4 -0.992 34.8-103.5-141.7 145.9 23.7 110.4 57.8 351 85 B P S S- 0 0 10 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.368 89.5 -5.3 -65.2 152.2 27.1 110.7 59.3 352 86 B G B S-R 275 0I 14 -77,-2.8 -77,-1.9 -79,-0.1 29,-0.2 -0.399 122.6 -17.0 70.1-137.0 28.3 107.6 61.2 353 87 B D S >> S- 0 0 4 -80,-0.2 3,-1.7 -2,-0.1 4,-0.5 -0.921 76.5-109.7-109.0 128.3 25.8 104.8 61.7 354 88 B P T 34 S+ 0 0 0 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.288 99.4 19.5 -59.0 142.7 22.1 105.5 61.2 355 89 B L T 34 S+ 0 0 5 2,-0.1 -228,-0.3 -233,-0.1 6,-0.2 0.453 91.4 102.2 76.4 2.8 20.0 105.5 64.4 356 90 B V T <4 + 0 0 22 -3,-1.7 -229,-0.5 -230,-0.1 -228,-0.3 0.914 69.4 75.3 -73.9 -44.5 22.9 106.0 66.8 357 91 B A S >X S- 0 0 30 -4,-0.5 3,-1.2 1,-0.1 4,-0.5 -0.487 96.3-127.8 -60.0 128.2 21.8 109.6 67.0 358 92 B T T 34 S+ 0 0 59 1,-0.2 4,-0.4 -2,-0.2 3,-0.3 0.766 100.8 54.7 -54.7 -33.1 18.7 109.4 69.2 359 93 B T T 34 S+ 0 0 43 1,-0.2 4,-0.5 2,-0.1 3,-0.4 0.711 90.4 75.2 -77.7 -19.1 16.3 111.3 66.9 360 94 B H T X> S+ 0 0 2 -3,-1.2 3,-1.9 1,-0.2 4,-0.5 0.903 83.2 66.2 -57.2 -47.5 16.8 109.0 63.8 361 95 B A H >X S+ 0 0 7 -4,-0.5 3,-1.8 -3,-0.3 4,-0.6 0.846 94.1 55.8 -44.4 -50.3 14.8 106.1 65.1 362 96 B E H >> S+ 0 0 53 -4,-0.4 4,-1.8 -3,-0.4 3,-0.6 0.726 92.8 71.9 -61.9 -19.9 11.4 107.9 65.1 363 97 B L H <> S+ 0 0 0 -3,-1.9 4,-1.9 -4,-0.5 -1,-0.3 0.808 92.1 57.4 -65.9 -26.9 11.8 108.7 61.4 364 98 B R H <>S+ 0 0 0 -4,-1.9 5,-2.8 1,-0.2 3,-0.6 0.960 107.8 50.9 -58.5 -52.6 7.9 106.1 57.2 368 102 B K H ><5S+ 0 0 101 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.928 110.2 48.9 -50.7 -50.5 5.6 103.3 58.3 369 103 B R H 3<5S+ 0 0 164 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.784 107.4 55.8 -64.5 -26.7 2.7 105.6 58.8 370 104 B A T <<5S- 0 0 36 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.443 119.5-109.8 -83.5 1.2 3.2 107.1 55.4 371 105 B G T < 5S+ 0 0 33 -3,-1.9 2,-0.5 -4,-0.4 -3,-0.2 0.714 74.9 140.7 78.6 17.0 3.0 103.7 53.8 372 106 B V < - 0 0 8 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.2 -0.829 48.9-136.5-102.9 133.9 6.7 103.9 53.1 373 107 B E E -o 268 0H 96 -106,-1.7 -104,-2.9 -2,-0.5 2,-0.4 -0.585 25.6-168.2 -80.7 142.1 9.1 100.9 53.4 374 108 B S E -o 269 0H 15 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.996 11.6-176.0-139.5 145.1 12.4 101.6 55.1 375 109 B Y E -o 270 0H 38 -106,-2.0 -104,-3.2 -2,-0.4 2,-0.5 -0.951 19.7-131.0-134.5 154.9 15.7 99.8 55.5 376 110 B V E -o 271 0H 6 -2,-0.3 2,-0.7 -164,-0.3 -104,-0.2 -0.921 10.1-166.1-114.9 126.5 18.9 100.6 57.3 377 111 B I E -o 272 0H 3 -106,-3.5 -104,-2.2 -2,-0.5 -94,-0.1 -0.942 24.9-144.2-109.1 111.7 22.4 100.3 55.8 378 112 B H + 0 0 4 -2,-0.7 -95,-0.3 -106,-0.2 -92,-0.2 -0.208 22.0 174.6 -75.2 164.4 24.9 100.5 58.6 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -264,-0.1 -266,-0.1 -0.947 44.7 -61.5-158.1 166.9 28.4 102.0 58.8 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.292 49.5-161.4 -60.3 141.2 31.1 102.6 61.4 381 115 B S >> - 0 0 5 -268,-0.3 4,-2.9 -29,-0.2 3,-1.0 -0.899 29.7-124.4-121.3 151.3 30.1 104.8 64.4 382 116 B I H 3> S+ 0 0 37 -2,-0.3 4,-1.3 1,-0.3 5,-0.1 0.843 110.7 69.5 -62.7 -28.0 32.4 106.6 66.8 383 117 B Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.860 114.0 25.4 -57.4 -36.6 30.5 104.6 69.5 384 118 B S H X4 S+ 0 0 0 -3,-1.0 3,-1.7 1,-0.1 -2,-0.2 0.742 111.2 70.1 -98.7 -27.5 32.2 101.4 68.2 385 119 B A H >< S+ 0 0 0 -4,-2.9 3,-2.4 1,-0.3 -2,-0.2 0.689 77.0 82.7 -63.4 -18.9 35.3 103.0 66.7 386 120 B V G >< + 0 0 0 -4,-1.3 3,-2.3 1,-0.3 5,-0.5 0.643 66.7 88.1 -61.7 -10.1 36.5 103.8 70.3 387 121 B G G X S+ 0 0 1 -3,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.771 73.0 71.5 -55.6 -23.6 37.7 100.2 70.2 388 122 B I G < S+ 0 0 6 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.645 81.1 71.6 -70.8 -12.2 40.9 101.6 68.7 389 123 B T G < S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.599 111.0-118.8 -75.0 -11.6 41.8 103.2 72.1 390 124 B G S < S+ 0 0 5 -3,-1.6 2,-0.3 1,-0.3 125,-0.1 0.348 72.7 132.4 92.2 -11.8 42.6 99.7 73.3 391 125 B L - 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