==== 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 15-MAR-07 2P5C . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,M.TAKETA,N.ONO,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUC . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21521.0 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 . 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 . 40 7.5 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 . 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 6 0 0 1 3 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 98 0, 0.0 106,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 67.3 56.3 98.1 57.1 2 2 A V E -ab 79 107A 23 76,-1.0 78,-3.6 104,-0.2 2,-0.5 -0.930 360.0-152.1-130.2 149.2 52.8 98.8 58.4 3 3 A L E -ab 80 108A 0 104,-2.7 106,-2.5 -2,-0.3 2,-0.5 -0.975 12.1-162.6-118.7 128.9 50.0 96.8 60.0 4 4 A Y E -ab 81 109A 35 76,-2.9 78,-3.2 -2,-0.5 2,-0.7 -0.954 8.8-155.1-113.7 123.2 46.3 97.9 59.5 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.1 -2,-0.5 2,-0.5 -0.885 25.0-173.0 -93.6 115.9 43.6 96.6 61.8 6 6 A I E -ab 83 111A 0 76,-2.8 78,-1.8 -2,-0.7 2,-0.2 -0.950 17.1-141.4-120.2 124.3 40.5 96.9 59.6 7 7 A G E -a 84 0A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.559 4.6-161.6 -80.1 143.2 37.0 96.3 60.7 8 8 A L - 0 0 3 76,-2.8 7,-0.4 1,-0.3 3,-0.1 0.493 39.9-125.9-100.7 -7.8 34.6 94.5 58.3 9 9 A G B -E 86 0B 1 77,-1.5 77,-3.5 75,-0.4 -1,-0.3 -0.384 32.0 -53.5 98.8-174.3 31.4 95.6 59.9 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.1 -1,-0.1 0.882 111.3 -2.3 -77.1 -47.0 28.2 94.0 61.3 11 11 A Y S S+ 0 0 52 1,-0.3 30,-1.9 199,-0.2 31,-0.2 0.809 113.5 8.3-119.8 -54.8 26.7 91.7 58.7 12 12 A D S > S- 0 0 16 198,-0.2 3,-2.0 29,-0.1 -1,-0.3 -0.737 79.8 -85.5-129.2 179.7 28.2 91.4 55.2 13 13 A E G > S+ 0 0 34 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.692 118.7 64.1 -60.0 -20.3 31.3 92.4 53.2 14 14 A R G 3 S+ 0 0 58 1,-0.2 271,-2.9 270,-0.1 272,-0.4 0.472 80.0 80.6 -85.3 1.2 29.8 95.8 52.3 15 15 A D G < S+ 0 0 4 -3,-2.0 -1,-0.2 -7,-0.4 2,-0.2 0.429 70.9 104.3 -84.0 2.4 29.7 96.9 55.9 16 16 A I S < S- 0 0 2 -3,-0.9 268,-2.7 97,-0.1 269,-0.3 -0.514 81.4-111.3 -77.7 149.8 33.4 97.7 55.5 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.3 95,-0.4 266,-0.3 -0.547 20.0-117.6 -82.8 153.9 34.2 101.5 55.1 18 18 A V H > S+ 0 0 9 264,-2.5 4,-2.6 262,-0.3 5,-0.3 0.901 119.0 55.4 -54.5 -40.3 35.4 102.8 51.8 19 19 A K H > S+ 0 0 2 261,-2.7 4,-1.8 263,-0.4 -1,-0.2 0.934 108.2 48.0 -57.0 -47.3 38.5 103.8 53.6 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.0 92,-0.2 -1,-0.2 0.862 112.0 48.9 -63.0 -38.5 39.0 100.3 54.8 21 21 A L H X S+ 0 0 16 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.909 110.3 49.1 -69.6 -43.9 38.4 98.8 51.3 22 22 A E H X S+ 0 0 92 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.869 115.0 44.5 -65.2 -37.2 40.8 101.1 49.5 23 23 A I H >< S+ 0 0 18 -4,-1.8 3,-0.8 -5,-0.3 4,-0.3 0.903 112.8 51.6 -73.1 -40.9 43.6 100.4 51.9 24 24 A A H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.853 102.5 59.8 -63.7 -36.5 42.9 96.7 52.0 25 25 A K H 3< S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.764 109.1 45.1 -63.3 -24.8 43.1 96.5 48.2 26 26 A K T << S+ 0 0 160 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.381 86.4 110.2-101.1 1.7 46.6 97.8 48.3 27 27 A C < - 0 0 0 -3,-1.1 53,-0.2 -4,-0.3 3,-0.1 -0.537 62.2-142.4 -79.3 145.1 48.0 95.7 51.2 28 28 A D S S+ 0 0 88 51,-1.9 2,-0.4 1,-0.2 52,-0.2 0.893 85.8 24.1 -73.1 -40.8 50.6 93.0 50.2 29 29 A Y E -c 80 0A 109 50,-1.4 52,-2.2 24,-0.1 2,-0.5 -0.980 69.4-158.3-129.3 140.3 49.3 90.4 52.7 30 30 A V E +cd 81 55A 7 24,-0.6 26,-2.2 -2,-0.4 2,-0.3 -0.966 12.2 175.3-125.5 122.4 45.8 90.0 54.2 31 31 A F E +cd 82 56A 11 50,-3.0 52,-2.7 -2,-0.5 2,-0.3 -0.752 6.1 175.2-115.3 165.0 45.0 88.2 57.4 32 32 A A E -cd 83 57A 0 24,-1.5 26,-3.0 50,-0.3 2,-0.3 -0.988 20.3-148.3-164.5 161.8 41.7 87.9 59.3 33 33 A E E - d 0 58A 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.984 7.3-177.3-136.4 144.2 39.8 86.3 62.2 34 34 A F + 0 0 55 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.160 64.5 85.9-135.1 39.8 36.2 85.3 62.4 35 35 A Y S S+ 0 0 20 23,-0.1 135,-0.4 3,-0.1 3,-0.1 0.644 74.8 65.3-112.2 -23.2 35.9 84.0 65.9 36 36 A T S S- 0 0 15 1,-0.2 2,-0.3 133,-0.1 -2,-0.1 0.705 119.4 -4.7 -74.0 -18.7 35.2 87.2 67.9 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.2 -0.983 72.1-106.6-166.2 163.9 31.9 87.7 66.1 38 38 A L - 0 0 33 -2,-0.3 2,-1.1 -3,-0.1 3,-0.1 -0.891 12.1-162.9-109.2 122.2 29.6 86.3 63.4 39 39 A M > - 0 0 14 -2,-0.5 3,-1.1 1,-0.2 -28,-0.2 -0.784 15.3-176.9 -98.8 88.9 29.0 88.0 60.1 40 40 A A T 3 + 0 0 38 -2,-1.1 -1,-0.2 -30,-0.3 -28,-0.1 0.645 69.2 57.8 -62.8 -20.6 25.9 86.2 59.1 41 41 A G T 3 S+ 0 0 20 -30,-1.9 2,-0.3 -31,-0.1 -1,-0.2 0.159 104.0 36.2-103.8 21.9 25.4 87.8 55.6 42 42 A T < - 0 0 22 -3,-1.1 2,-0.3 -31,-0.2 3,-0.1 -0.855 60.0-135.5-151.9-173.3 28.6 86.9 53.8 43 43 A T > - 0 0 73 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.906 36.5-103.3-144.2 169.4 31.4 84.4 53.2 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.902 119.6 58.2 -63.0 -41.1 35.2 84.5 53.0 45 45 A G H > S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.912 105.4 47.3 -55.6 -47.5 34.8 84.2 49.2 46 46 A R H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 113.6 48.5 -64.1 -37.9 32.8 87.4 48.9 47 47 A I H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.934 114.5 45.0 -66.9 -46.2 35.2 89.3 51.1 48 48 A Q H X>S+ 0 0 55 -4,-3.1 4,-2.4 2,-0.2 5,-0.6 0.899 112.7 52.5 -61.9 -41.3 38.2 88.0 49.1 49 49 A K H <5S+ 0 0 181 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.919 112.9 44.2 -60.7 -45.3 36.3 88.8 45.9 50 50 A L H <5S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 119.8 39.5 -68.3 -42.8 35.6 92.4 47.1 51 51 A I H <5S- 0 0 4 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.724 98.8-137.1 -81.2 -21.8 39.1 93.0 48.4 52 52 A G T <5 + 0 0 61 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.655 67.4 104.1 74.5 15.2 40.8 91.2 45.5 53 53 A K S - 0 0 37 -2,-0.3 4,-2.1 -26,-0.1 5,-0.2 -0.407 35.8 -97.9 -91.6 173.6 42.2 80.9 64.8 60 60 A R H > S+ 0 0 109 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.909 127.8 49.0 -58.3 -41.3 42.1 82.3 68.3 61 61 A E H >>S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 5,-1.1 0.924 105.8 56.0 -65.1 -44.4 45.3 80.4 69.1 62 62 A D H >5S+ 0 0 42 3,-0.2 4,-0.9 2,-0.2 7,-0.2 0.919 118.9 34.3 -53.0 -44.6 47.0 81.8 66.0 63 63 A V H X5S+ 0 0 2 -4,-2.1 4,-1.5 3,-0.2 5,-0.2 0.981 120.4 43.4 -75.1 -61.4 46.2 85.3 67.2 64 64 A E H <5S+ 0 0 76 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.752 131.8 22.6 -60.3 -26.5 46.5 85.1 71.0 65 65 A L H <5S+ 0 0 109 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.772 135.3 24.0-110.4 -36.9 49.6 83.1 70.9 66 66 A N H >XS+ 0 0 0 -4,-1.5 4,-2.2 1,-0.3 5,-1.6 0.922 85.0 48.9 -53.5 -45.7 50.3 86.9 66.2 68 68 A E H 345S+ 0 0 75 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.552 115.6 45.0 -71.8 -7.7 53.9 88.2 66.4 69 69 A N H <45S+ 0 0 101 -3,-1.7 -1,-0.2 -7,-0.2 -2,-0.2 0.620 123.9 30.4-107.3 -21.4 55.1 85.0 64.7 70 70 A I H <5S+ 0 0 31 -4,-2.1 4,-0.2 -3,-0.3 -3,-0.2 0.828 133.2 17.5-104.4 -46.8 52.5 84.9 61.9 71 71 A V T >X5S+ 0 0 0 -4,-2.2 3,-1.3 -5,-0.4 4,-1.1 0.918 116.6 55.9 -94.4 -56.9 51.5 88.4 61.1 72 72 A L T 344 S+ 0 0 71 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.862 106.3 44.0 -54.1 -36.3 57.1 89.4 60.7 74 74 A L G X> S+ 0 0 52 -3,-1.3 3,-1.7 -4,-0.2 4,-1.7 0.784 101.2 66.0 -78.7 -29.7 55.6 90.4 57.3 75 75 A A G 3< S+ 0 0 0 -4,-1.1 32,-0.2 -3,-0.3 -1,-0.2 0.379 90.2 70.5 -73.5 5.9 54.5 93.8 58.4 76 76 A K G <4 S+ 0 0 89 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.576 117.3 16.2 -95.9 -14.1 58.2 94.5 58.7 77 77 A E T <4 S+ 0 0 160 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.354 129.2 39.9-135.5 -5.7 58.8 94.5 54.9 78 78 A N S < S- 0 0 43 -4,-1.7 -76,-1.0 -76,-0.1 2,-0.7 -0.879 83.9 -97.5-141.7 171.8 55.2 94.8 53.6 79 79 A D E -a 2 0A 53 -2,-0.3 -51,-1.9 -78,-0.2 -50,-1.4 -0.857 50.0-171.7 -92.0 116.0 51.9 96.6 54.1 80 80 A V E -ac 3 29A 0 -78,-3.6 -76,-2.9 -2,-0.7 2,-0.4 -0.901 12.9-160.1-117.5 143.5 49.8 94.1 56.1 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.0 -2,-0.4 2,-0.5 -0.923 4.9-163.1-121.3 145.5 46.1 94.1 57.0 82 82 A F E -ac 5 31A 0 -78,-3.2 -76,-2.8 -2,-0.4 2,-0.3 -0.987 17.3-158.3-126.5 114.8 44.3 92.2 59.7 83 83 A L E +ac 6 32A 0 -52,-2.7 -50,-1.7 -2,-0.5 -76,-0.2 -0.745 14.4 172.6 -99.5 145.2 40.5 92.1 59.3 84 84 A T E -a 7 0A 0 -78,-1.8 -76,-2.8 -2,-0.3 -75,-0.4 -0.951 37.3 -92.1-144.2 161.3 37.9 91.4 62.0 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.292 92.3 -13.2 -68.6 162.7 34.1 91.5 62.3 86 86 A G B S-E 9 0B 1 -77,-3.5 -77,-1.5 -79,-0.1 -78,-0.2 -0.110 129.6 -13.4 45.9-133.1 32.6 94.8 63.5 87 87 A D > - 0 0 0 446,-2.4 3,-1.8 -80,-0.2 25,-0.1 -0.892 66.2-135.3-101.9 127.0 35.1 97.2 64.9 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.685 101.2 44.5 -54.1 -23.3 38.5 95.5 65.6 89 89 A M T 3 S+ 0 0 8 5,-0.1 2,-0.5 444,-0.1 3,-0.4 0.346 89.7 104.5-106.0 6.3 39.0 97.1 69.0 90 90 A V S < S- 0 0 0 -3,-1.8 3,-0.1 1,-0.2 -3,-0.1 -0.791 99.1 -22.8 -98.1 125.0 35.5 96.6 70.4 91 91 A A S S+ 0 0 40 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.882 116.3 96.5 46.5 46.0 34.9 93.9 73.0 92 92 A T S S- 0 0 23 -3,-0.4 -1,-0.2 441,-0.1 3,-0.2 -0.816 82.7-120.7-143.7 179.0 38.0 92.0 71.9 93 93 A T S > S+ 0 0 84 -2,-0.3 3,-1.2 1,-0.1 4,-0.5 0.116 78.7 114.3-112.5 17.6 41.5 91.9 73.2 94 94 A H T >> + 0 0 0 -6,-0.3 3,-0.9 1,-0.2 4,-0.6 0.720 58.5 74.4 -61.2 -23.9 42.8 93.1 69.9 95 95 A A H >> S+ 0 0 17 1,-0.3 3,-1.5 -3,-0.2 4,-0.6 0.888 90.5 57.5 -56.9 -40.3 44.0 96.4 71.4 96 96 A E H X> S+ 0 0 51 -3,-1.2 4,-1.6 1,-0.3 3,-0.8 0.781 92.9 69.0 -61.8 -27.7 46.9 94.5 73.0 97 97 A L H <> S+ 0 0 2 -3,-0.9 4,-2.0 -4,-0.5 -1,-0.3 0.789 91.7 60.0 -63.2 -25.8 48.0 93.4 69.6 98 98 A R H <>S+ 0 0 0 -4,-2.0 5,-3.0 2,-0.2 3,-0.6 0.944 108.1 50.1 -61.2 -47.3 53.2 95.5 67.0 102 102 A K H ><5S+ 0 0 98 -4,-2.1 3,-2.4 1,-0.2 -2,-0.2 0.949 110.0 48.4 -56.9 -52.3 55.1 98.4 68.7 103 103 A R H 3<5S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.713 108.8 54.8 -64.1 -18.5 57.6 96.2 70.4 104 104 A A T <<5S- 0 0 39 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.290 120.5-112.5 -93.9 7.9 58.2 94.4 67.1 105 105 A G T < 5S+ 0 0 31 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.800 72.9 137.5 66.5 29.9 59.0 97.8 65.6 106 106 A V < - 0 0 3 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.929 49.9-136.1-112.1 129.1 55.9 97.7 63.4 107 107 A E E -b 2 0A 107 -106,-1.2 -104,-2.7 -2,-0.5 2,-0.3 -0.639 25.2-163.5 -81.0 137.3 53.6 100.8 62.9 108 108 A S E -b 3 0A 11 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.942 10.3-166.2-126.9 148.5 49.9 100.0 63.1 109 109 A Y E -b 4 0A 55 -106,-2.5 -104,-3.1 -2,-0.3 2,-0.5 -0.968 13.7-138.5-131.1 146.3 46.8 101.9 62.1 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 366,-0.2 -0.913 10.2-168.7-111.4 125.3 43.1 101.3 62.9 111 111 A I E -b 6 0A 3 -106,-3.1 -104,-2.3 -2,-0.5 -94,-0.1 -0.954 22.4-142.0-111.3 115.5 40.3 101.6 60.4 112 112 A H - 0 0 7 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.175 18.3-174.4 -73.7 166.4 36.9 101.5 62.1 113 113 A A - 0 0 0 -97,-0.1 268,-0.3 266,-0.1 -97,-0.1 -0.965 43.4 -65.5-154.2 159.2 33.7 99.9 61.0 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.239 57.1-160.6 -53.2 136.8 30.1 99.7 62.2 115 115 A S >> - 0 0 0 264,-0.3 4,-2.6 -29,-0.2 3,-1.4 -0.923 31.2-126.1-125.1 149.2 29.9 98.0 65.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.8 1,-0.3 -1,-0.1 0.800 108.1 70.3 -60.0 -27.2 27.1 96.3 67.5 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.3 416,-0.2 46,-0.0 0.835 113.4 24.4 -61.5 -33.2 28.1 98.6 70.3 118 118 A S H X4 S+ 0 0 0 -3,-1.4 3,-1.9 1,-0.1 -2,-0.2 0.697 109.5 72.6-102.7 -24.7 26.7 101.7 68.5 119 119 A A H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.606 75.9 84.3 -65.5 -9.4 24.2 99.9 66.3 120 120 A V G ><> + 0 0 1 -4,-0.8 3,-2.1 1,-0.3 5,-0.6 0.690 69.4 81.7 -65.9 -16.1 22.1 99.4 69.4 121 121 A G G X 5S+ 0 0 2 -3,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.763 76.6 69.9 -59.4 -23.9 20.8 102.9 68.6 122 122 A I G < 5S+ 0 0 5 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.635 83.6 69.7 -70.7 -13.2 18.4 101.3 66.1 123 123 A T G < 5S- 0 0 0 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.550 112.6-117.6 -79.5 -7.4 16.4 99.8 69.0 124 124 A G T < 5S+ 0 0 3 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.384 73.3 132.1 86.9 -5.2 15.3 103.3 69.9 125 125 A L S - 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