==== 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 23-JAN-07 2E8R . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,M.TAKETA,H.SHIMADA,Y.MATSUURA,N.KUNISHIMA,RIKEN STRU . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 10.4 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 24.9 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 1 0 3 5 0 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 3 1 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 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 0 125 0, 0.0 106,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 99.9 55.5 96.6 54.9 2 2 A V E -a 79 0A 13 76,-2.0 78,-3.3 72,-0.1 2,-0.5 -0.982 360.0-131.2-165.7 157.5 52.3 97.2 57.0 3 3 A L E -ab 80 108A 0 104,-2.5 106,-2.4 -2,-0.3 2,-0.5 -0.978 17.6-163.0-121.5 127.9 49.5 95.4 58.7 4 4 A Y E -ab 81 109A 38 76,-2.6 78,-2.9 -2,-0.5 2,-0.8 -0.928 10.3-155.8-111.9 130.1 45.8 96.3 58.3 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.2 -2,-0.5 2,-0.5 -0.926 26.2-174.9-100.2 111.6 43.1 95.2 60.7 6 6 A I E -ab 83 111A 0 76,-2.2 78,-1.5 -2,-0.8 2,-0.2 -0.940 17.6-143.2-119.3 119.7 40.0 95.4 58.4 7 7 A G E -a 84 0A 0 104,-2.5 10,-0.5 -2,-0.5 80,-0.2 -0.511 3.4-160.5 -76.6 143.0 36.5 94.9 59.6 8 8 A L - 0 0 5 76,-2.8 7,-0.3 78,-0.4 3,-0.2 0.493 40.0-127.4-100.0 -8.8 34.1 93.1 57.2 9 9 A G B -E 86 0B 0 77,-1.6 77,-2.9 75,-0.4 -1,-0.2 -0.272 32.9 -50.0 94.3-178.0 30.9 94.3 58.8 10 10 A L S S- 0 0 1 5,-0.2 30,-0.4 75,-0.2 -1,-0.2 0.796 110.8 -5.6 -69.6 -46.0 27.6 92.8 60.2 11 11 A Y S S+ 0 0 54 1,-0.4 30,-2.6 199,-0.2 31,-0.3 0.737 112.6 11.0-128.8 -48.1 26.0 90.4 57.6 12 12 A D S > S- 0 0 20 29,-0.2 3,-2.1 28,-0.1 -1,-0.4 -0.802 80.0 -86.3-134.0 178.4 27.6 90.1 54.1 13 13 A E G > S+ 0 0 41 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.703 118.8 64.0 -59.9 -21.6 30.6 91.0 52.0 14 14 A R G 3 S+ 0 0 63 1,-0.2 271,-2.6 270,-0.1 270,-0.4 0.515 81.5 80.1 -82.6 -1.6 29.1 94.4 51.1 15 15 A D G < S+ 0 0 1 -3,-2.1 -1,-0.2 -7,-0.3 -5,-0.2 0.455 70.2 102.2 -81.7 0.2 29.2 95.5 54.8 16 16 A I S < S- 0 0 0 -3,-0.9 268,-2.5 97,-0.1 269,-0.3 -0.551 82.2-110.9 -78.4 149.1 32.9 96.3 54.4 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.4 95,-0.4 266,-0.3 -0.420 20.2-115.8 -78.6 160.7 33.6 100.0 54.0 18 18 A V H > S+ 0 0 8 264,-2.3 4,-2.6 262,-0.4 5,-0.3 0.909 119.4 54.6 -59.9 -42.7 34.8 101.4 50.7 19 19 A K H > S+ 0 0 1 261,-2.6 4,-2.0 263,-0.3 5,-0.2 0.942 109.0 47.7 -55.0 -49.7 38.1 102.3 52.4 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -2,-0.2 0.892 112.2 48.8 -60.8 -42.0 38.5 98.7 53.6 21 21 A L H X S+ 0 0 21 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.943 111.2 47.3 -65.2 -49.3 37.8 97.2 50.2 22 22 A E H X S+ 0 0 88 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.863 116.9 44.5 -62.0 -37.2 40.2 99.5 48.2 23 23 A I H >< S+ 0 0 19 -4,-2.0 3,-1.0 -5,-0.3 4,-0.5 0.946 113.3 49.6 -72.3 -48.0 43.0 98.9 50.8 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.859 104.4 61.4 -57.5 -37.2 42.3 95.1 51.0 25 25 A M H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.801 107.5 43.1 -60.6 -32.0 42.4 94.9 47.2 26 26 A K T << S+ 0 0 160 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.365 87.2 113.5 -98.4 3.9 46.0 96.1 47.0 27 27 A C < - 0 0 1 -3,-1.1 53,-0.2 -4,-0.5 3,-0.1 -0.466 62.2-140.7 -76.5 149.1 47.4 94.1 49.9 28 28 A D S S+ 0 0 83 51,-2.2 2,-0.4 1,-0.2 52,-0.2 0.891 87.2 23.2 -74.9 -40.9 50.0 91.4 49.1 29 29 A Y E -c 80 0A 107 50,-1.6 52,-2.3 24,-0.1 2,-0.5 -0.980 67.0-160.5-130.1 140.6 48.6 88.9 51.6 30 30 A V E +c 81 0A 8 24,-0.5 26,-2.4 -2,-0.4 2,-0.3 -0.959 12.7 174.4-126.8 115.7 45.2 88.6 53.1 31 31 A F E +cd 82 56A 5 50,-3.3 52,-3.1 -2,-0.5 2,-0.3 -0.737 7.3 173.4-109.9 163.6 44.5 86.7 56.3 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.1 50,-0.3 2,-0.3 -0.987 21.0-145.7-165.4 159.1 41.2 86.5 58.2 33 33 A E E - d 0 58A 0 50,-2.0 26,-0.1 -2,-0.3 24,-0.0 -0.973 7.8-176.0-131.9 147.4 39.4 84.8 61.1 34 34 A F + 0 0 56 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.160 64.0 88.7-134.7 39.7 35.7 83.9 61.4 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.557 76.2 63.9-111.2 -14.3 35.5 82.6 65.0 36 36 A T S S- 0 0 11 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.670 119.0 -9.4 -84.1 -17.1 34.7 85.9 66.8 37 37 A S - 0 0 3 496,-0.1 2,-0.4 49,-0.0 -1,-0.1 -0.963 68.6-106.5-164.3 178.0 31.4 86.3 65.0 38 38 A L - 0 0 34 -2,-0.3 2,-0.9 -28,-0.1 -3,-0.1 -0.979 9.7-160.0-125.4 127.4 29.1 85.0 62.2 39 39 A M > - 0 0 14 -2,-0.4 3,-1.1 1,-0.1 -28,-0.2 -0.862 15.3-174.3-103.0 94.6 28.4 86.7 58.9 40 40 A A T 3 S+ 0 0 39 -2,-0.9 -28,-0.1 -30,-0.4 -1,-0.1 0.525 72.1 55.4 -69.7 -9.5 25.2 84.9 58.0 41 41 A G T 3 S+ 0 0 16 -30,-2.6 2,-0.2 -31,-0.1 -1,-0.2 0.236 104.8 40.0-112.2 16.5 24.8 86.5 54.6 42 42 A T < - 0 0 20 -3,-1.1 2,-0.3 -31,-0.3 -3,-0.1 -0.825 60.3-137.4-147.2-174.6 28.0 85.6 52.8 43 43 A T > - 0 0 70 -2,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.951 35.7-105.1-145.7 161.7 30.7 83.0 52.2 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.917 120.6 57.5 -55.7 -41.5 34.5 83.0 52.0 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 106.1 47.0 -57.2 -41.3 34.2 82.6 48.3 46 46 A R H > S+ 0 0 138 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.843 112.5 50.0 -71.4 -32.7 32.1 85.8 47.9 47 47 A I H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.941 111.5 48.0 -69.6 -46.8 34.5 87.7 50.1 48 48 A Q H X>S+ 0 0 43 -4,-3.0 4,-2.0 1,-0.2 5,-1.1 0.917 112.0 50.5 -58.6 -43.6 37.5 86.5 48.1 49 49 A K H <5S+ 0 0 184 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.918 109.7 51.1 -61.6 -42.8 35.7 87.4 44.9 50 50 A L H <5S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 120.7 31.3 -62.4 -48.0 34.9 90.9 46.1 51 51 A I H <5S- 0 0 6 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.646 103.7-130.1 -86.2 -14.1 38.4 91.8 47.2 52 52 A G T <5 + 0 0 56 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.829 68.6 107.9 70.4 34.4 40.0 89.7 44.4 53 53 A K S - 0 0 39 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.414 34.8 -99.9 -89.1 170.2 41.8 79.5 63.8 60 60 A R H > S+ 0 0 107 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.881 126.1 50.6 -58.4 -37.6 41.7 81.0 67.3 61 61 A E H >>S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 5,-1.1 0.919 106.4 53.6 -67.0 -43.8 44.8 79.1 68.1 62 62 A D H >5S+ 0 0 46 3,-0.2 4,-1.1 2,-0.2 7,-0.2 0.933 118.5 37.0 -54.4 -47.2 46.7 80.3 65.0 63 63 A V H X5S+ 0 0 1 -4,-2.2 4,-1.7 3,-0.2 5,-0.2 0.985 121.4 40.3 -69.9 -62.8 45.8 83.9 66.1 64 64 A E H <5S+ 0 0 74 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.858 132.0 25.0 -59.6 -37.9 46.1 83.8 69.8 65 65 A L H <5S+ 0 0 108 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.2 0.820 136.6 22.8 -97.6 -33.8 49.2 81.6 69.9 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.3 1,-0.3 5,-1.5 0.938 86.0 49.7 -56.4 -46.7 49.8 85.5 65.1 68 68 A E H 345S+ 0 0 75 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.590 114.8 44.8 -69.0 -10.6 53.5 86.7 65.3 69 69 A N H <45S+ 0 0 99 -3,-1.3 -1,-0.2 -7,-0.2 -2,-0.2 0.656 124.6 29.5-104.9 -21.8 54.7 83.6 63.6 70 70 A I H <5S+ 0 0 29 -4,-2.1 4,-0.3 -3,-0.3 -3,-0.2 0.838 132.3 19.5-103.9 -48.5 52.1 83.4 60.8 71 71 A V T >X5S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.4 3,-0.9 0.930 115.9 55.1 -92.0 -54.7 51.1 87.0 60.0 72 72 A L H 3>4 S+ 0 0 57 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.907 107.4 45.9 -53.5 -40.3 56.6 87.9 59.5 74 74 A L H X> S+ 0 0 52 -3,-0.9 3,-1.0 -4,-0.3 4,-0.9 0.822 104.2 62.1 -71.3 -31.0 55.0 88.6 56.1 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.3 32,-0.2 0.710 92.1 67.7 -67.9 -19.6 54.0 92.2 57.2 76 76 A K T << S+ 0 0 90 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.795 117.4 21.1 -71.5 -27.6 57.7 93.0 57.5 77 77 A E T <4 S+ 0 0 156 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.2 0.323 128.9 34.2-121.4 5.2 58.3 92.7 53.8 78 78 A N S < S- 0 0 42 -4,-0.9 -76,-2.0 -5,-0.1 2,-0.7 -0.930 83.2 -93.4-151.7 173.4 54.8 93.2 52.4 79 79 A D E -a 2 0A 56 -2,-0.3 -51,-2.2 -78,-0.3 -50,-1.6 -0.857 50.3-174.4 -94.4 114.2 51.4 94.9 52.8 80 80 A V E -ac 3 29A 0 -78,-3.3 -76,-2.6 -2,-0.7 2,-0.4 -0.886 14.3-160.1-117.7 146.0 49.2 92.5 54.8 81 81 A A E -ac 4 30A 0 -52,-2.3 -50,-3.3 -2,-0.4 2,-0.5 -0.932 4.3-161.6-123.1 145.7 45.6 92.6 55.8 82 82 A F E -ac 5 31A 0 -78,-2.9 -76,-2.2 -2,-0.4 -50,-0.3 -0.951 17.4-158.3-128.1 107.2 43.8 90.7 58.6 83 83 A L E +ac 6 32A 0 -52,-3.1 -50,-2.0 -2,-0.5 -76,-0.2 -0.606 14.1 173.4 -90.6 147.8 40.0 90.5 58.1 84 84 A T E -a 7 0A 0 -78,-1.5 -76,-2.8 -2,-0.2 -75,-0.4 -0.982 37.6 -96.2-146.9 155.6 37.4 90.0 60.8 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.347 92.4 -11.4 -68.4 157.5 33.6 90.0 61.0 86 86 A G B S-E 9 0B 1 -77,-2.9 -77,-1.6 -79,-0.1 -78,-0.4 -0.203 129.1 -13.5 54.1-139.2 32.1 93.3 62.3 87 87 A D > - 0 0 0 446,-2.7 3,-1.3 -80,-0.2 25,-0.1 -0.868 67.4-132.6 -97.0 129.6 34.6 95.7 63.7 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.697 100.9 39.3 -52.9 -26.4 38.0 94.0 64.4 89 89 A L T > S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.431 87.8 104.3-109.0 0.8 38.4 95.4 67.9 90 90 A V T < S- 0 0 0 -3,-1.3 -3,-0.1 443,-0.3 3,-0.1 -0.750 101.8 -16.8 -91.0 118.6 34.9 95.2 69.3 91 91 A A T 3 S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.862 117.7 96.9 57.8 37.4 34.3 92.4 71.8 92 92 A T S < S- 0 0 21 -3,-0.5 3,-0.3 441,-0.1 -1,-0.3 -0.865 79.6-124.5-137.3 171.9 37.4 90.6 70.7 93 93 A T S > S+ 0 0 82 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 0.119 77.8 111.7-104.8 24.1 40.9 90.5 72.0 94 94 A H T >> + 0 0 1 -6,-0.4 3,-1.8 1,-0.2 4,-0.5 0.755 58.4 75.5 -69.3 -24.5 42.4 91.6 68.7 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-2.0 -3,-0.3 4,-0.5 0.916 89.2 60.2 -54.2 -38.7 43.5 95.0 70.1 96 96 A E H X> S+ 0 0 51 -3,-0.8 4,-1.4 1,-0.3 3,-0.7 0.729 90.6 69.7 -61.8 -22.0 46.4 93.2 71.8 97 97 A L H <> S+ 0 0 3 -3,-1.8 4,-1.8 -4,-0.3 -1,-0.3 0.734 88.3 63.9 -69.8 -20.3 47.6 92.0 68.4 98 98 A R H S+ 0 0 0 -4,-1.8 5,-2.9 2,-0.2 3,-0.4 0.947 110.4 47.0 -63.9 -47.9 52.8 94.1 65.7 102 102 A K H ><5S+ 0 0 102 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.942 110.4 51.3 -59.4 -48.7 54.6 97.1 67.3 103 103 A R H 3<5S+ 0 0 160 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.746 108.8 53.3 -62.6 -22.6 57.1 94.8 69.2 104 104 A A T 3<5S- 0 0 29 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.390 120.3-111.1 -91.2 2.1 57.8 93.1 65.9 105 105 A G T < 5S+ 0 0 54 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.701 74.0 136.7 79.9 17.0 58.5 96.5 64.2 106 106 A V < - 0 0 3 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.875 50.5-136.5-105.7 123.0 55.4 96.3 62.1 107 107 A E - 0 0 130 -2,-0.6 -104,-2.5 -106,-0.4 2,-0.4 -0.518 25.1-161.6 -72.5 137.5 53.2 99.4 61.6 108 108 A S E -b 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.936 11.0-167.5-126.4 148.9 49.4 98.7 61.9 109 109 A Y E -b 4 0A 64 -106,-2.4 -104,-3.0 -2,-0.4 2,-0.5 -0.961 13.9-138.8-130.9 149.7 46.3 100.5 60.8 110 110 A V E -b 5 0A 9 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.939 10.0-168.8-116.3 126.9 42.7 99.9 61.7 111 111 A I E -b 6 0A 3 -106,-3.2 -104,-2.5 -2,-0.5 -94,-0.1 -0.956 20.9-145.7-112.6 113.5 39.8 100.1 59.3 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.220 16.9-175.9 -75.2 166.8 36.4 100.1 61.0 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.935 45.6 -60.4-153.1 164.9 33.2 98.5 59.8 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.304 57.9-158.0 -56.8 137.3 29.6 98.3 61.1 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-1.0 -0.871 28.6-126.6-118.6 150.8 29.5 96.6 64.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.847 107.5 70.3 -62.3 -29.9 26.7 94.9 66.4 117 117 A Y H 34 S+ 0 0 11 1,-0.2 -1,-0.2 2,-0.2 3,-0.0 0.833 111.1 27.2 -57.8 -35.8 27.6 97.3 69.3 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.1 1,-0.1 -1,-0.2 0.698 106.8 74.6 -99.3 -22.1 26.2 100.3 67.4 119 119 A A H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.3 4,-0.2 0.675 73.3 85.5 -63.3 -14.8 23.7 98.4 65.3 120 120 A V G ><> + 0 0 2 -4,-0.9 3,-2.3 1,-0.3 5,-0.5 0.734 68.9 83.1 -56.5 -18.4 21.6 98.1 68.5 121 121 A G G X 5S+ 0 0 2 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.836 76.3 67.7 -56.0 -29.9 20.4 101.6 67.4 122 122 A I G < 5S+ 0 0 5 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.643 86.4 68.5 -68.8 -11.6 17.9 99.8 65.1 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.614 110.3-120.2 -79.2 -11.7 16.0 98.5 68.2 124 124 A G T < 5S+ 0 0 2 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.376 71.6 131.5 91.0 -7.9 14.9 102.0 69.0 125 125 A L S - 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