==== 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 29-MAR-07 2PCG . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SUGAHARA,M.TAKETA,Y.KAGEYAMA,Y.MATSUURA,N.KUNISHIMA,RIKEN . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21799.0 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 . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 9.2 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 . 0 0.0 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 . 73 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 23.5 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 7 1 0 0 6 1 1 3 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 4 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 1 3 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 0 152 0, 0.0 106,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 67.3 55.8 96.6 55.3 2 2 A V E -a 79 0A 13 76,-1.5 78,-3.2 72,-0.1 2,-0.5 -0.976 360.0-131.1-151.4 158.5 52.6 97.4 57.3 3 3 A L E -ab 80 108A 0 104,-2.5 106,-2.5 -2,-0.3 2,-0.5 -0.968 15.7-158.7-121.4 125.4 49.7 95.6 59.0 4 4 A Y E -ab 81 109A 33 76,-3.4 78,-3.0 -2,-0.5 2,-0.8 -0.893 8.1-158.2-103.1 121.5 46.0 96.5 58.5 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.4 -2,-0.5 2,-0.6 -0.853 26.5-175.4 -85.6 105.4 43.3 95.6 61.0 6 6 A I E -ab 83 111A 0 76,-1.8 78,-1.6 -2,-0.8 106,-0.2 -0.893 18.4-143.7-117.0 118.9 40.2 95.7 58.8 7 7 A G E -a 84 0A 0 104,-2.9 10,-0.4 -2,-0.6 80,-0.2 -0.474 2.8-159.6 -71.7 144.6 36.7 95.2 60.0 8 8 A L - 0 0 4 76,-2.6 7,-0.3 78,-0.5 3,-0.2 0.542 38.6-128.5-100.9 -13.5 34.3 93.4 57.6 9 9 A G B -E 86 0B 1 77,-1.4 77,-3.5 75,-0.4 -1,-0.3 -0.478 32.6 -51.7 99.3-166.0 31.0 94.7 59.2 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 -2,-0.1 -1,-0.2 0.916 109.9 -3.5 -84.4 -49.3 27.8 93.2 60.5 11 11 A Y S S+ 0 0 51 1,-0.3 30,-1.6 199,-0.2 31,-0.3 0.810 113.6 9.0-120.2 -60.7 26.2 90.8 58.0 12 12 A D S > S- 0 0 20 198,-0.2 3,-1.9 29,-0.1 -1,-0.3 -0.682 80.8 -86.3-124.1-177.0 27.7 90.4 54.5 13 13 A E G > S+ 0 0 38 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.741 118.5 66.3 -63.3 -20.4 30.9 91.3 52.6 14 14 A R G 3 S+ 0 0 69 1,-0.2 271,-2.5 270,-0.1 270,-0.4 0.517 80.0 79.2 -80.8 -2.2 29.4 94.7 51.6 15 15 A D G < S+ 0 0 1 -3,-1.9 -1,-0.2 -7,-0.3 2,-0.2 0.465 70.3 103.0 -82.6 -0.5 29.4 95.9 55.2 16 16 A I S < S- 0 0 2 -3,-1.0 268,-2.6 97,-0.1 269,-0.3 -0.538 82.1-110.0 -76.6 148.3 33.1 96.6 54.8 17 17 A T B > -F 283 0C 1 -10,-0.4 4,-2.3 95,-0.3 266,-0.3 -0.375 21.2-114.6 -76.3 161.7 33.9 100.4 54.3 18 18 A V H > S+ 0 0 9 264,-2.6 4,-2.6 262,-0.5 5,-0.3 0.901 119.6 55.2 -61.9 -38.3 35.1 101.7 51.0 19 19 A K H > S+ 0 0 1 261,-2.5 4,-1.8 263,-0.3 -1,-0.2 0.919 108.7 47.0 -58.7 -45.9 38.3 102.5 52.7 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.880 112.3 49.8 -65.4 -39.3 38.7 99.0 53.9 21 21 A L H X S+ 0 0 17 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.956 111.5 46.3 -65.0 -51.5 37.9 97.5 50.5 22 22 A E H X S+ 0 0 86 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.851 117.7 43.9 -62.2 -34.6 40.4 99.7 48.5 23 23 A I H >< S+ 0 0 22 -4,-1.8 3,-0.7 -5,-0.3 4,-0.5 0.926 111.9 52.2 -75.3 -44.8 43.2 99.0 51.1 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.826 104.8 58.8 -58.9 -32.4 42.4 95.3 51.3 25 25 A K H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 106.8 45.6 -66.4 -34.5 42.6 95.1 47.5 26 26 A K T << S+ 0 0 149 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.361 87.1 113.1 -92.1 3.1 46.2 96.4 47.4 27 27 A C < - 0 0 0 -3,-0.8 53,-0.2 -4,-0.5 3,-0.1 -0.486 61.2-143.7 -77.5 147.7 47.6 94.2 50.2 28 28 A D S S+ 0 0 87 51,-2.0 2,-0.4 1,-0.2 52,-0.2 0.893 86.2 23.0 -76.1 -40.8 50.2 91.5 49.4 29 29 A Y E -c 80 0A 107 50,-1.6 52,-2.2 24,-0.1 2,-0.5 -0.974 67.3-161.6-129.8 142.9 48.8 89.1 52.0 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.4 -2,-0.4 2,-0.2 -0.961 11.4 173.9-130.8 117.6 45.4 88.7 53.6 31 31 A F E +cd 82 56A 7 50,-3.4 52,-2.9 -2,-0.5 2,-0.3 -0.705 7.4 174.8-111.3 167.3 44.6 86.8 56.7 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.4 50,-0.3 2,-0.3 -0.980 20.4-146.2-168.4 157.6 41.3 86.7 58.6 33 33 A E E - d 0 58A 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.949 7.7-176.4-130.1 150.3 39.5 85.1 61.5 34 34 A F + 0 0 56 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.160 64.2 88.2-138.4 39.0 35.8 84.2 61.8 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 3,-0.1 136,-0.1 0.553 75.2 64.7-112.8 -14.3 35.5 82.9 65.4 36 36 A T S S- 0 0 12 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.644 119.1 -9.4 -84.2 -14.0 34.8 86.2 67.2 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.968 70.2-102.9-166.3 177.4 31.5 86.6 65.5 38 38 A L - 0 0 36 -2,-0.3 2,-1.1 -28,-0.1 3,-0.1 -0.963 10.6-161.7-122.3 123.8 29.2 85.4 62.7 39 39 A M > - 0 0 13 -2,-0.5 3,-1.2 1,-0.2 -28,-0.2 -0.776 17.4-175.4-100.1 87.4 28.6 87.1 59.4 40 40 A A T 3 S+ 0 0 38 -2,-1.1 -1,-0.2 -30,-0.3 -28,-0.1 0.659 70.5 53.1 -58.8 -24.6 25.3 85.3 58.5 41 41 A G T 3 S+ 0 0 15 -30,-1.6 2,-0.3 -3,-0.1 -1,-0.2 0.194 105.2 44.4-103.8 20.0 24.8 86.7 55.0 42 42 A T < - 0 0 20 -3,-1.2 2,-0.3 -31,-0.3 -3,-0.1 -0.876 60.8-139.2-147.6 178.8 28.1 85.9 53.3 43 43 A T > - 0 0 75 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.899 35.2-104.9-137.9 166.0 30.8 83.2 52.7 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-3.1 1,-0.2 3,-0.3 0.931 119.9 56.2 -58.7 -44.8 34.6 83.3 52.5 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 105.2 50.0 -54.1 -45.0 34.4 82.9 48.7 46 46 A R H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 112.6 48.3 -63.6 -34.7 32.2 86.0 48.4 47 47 A I H X S+ 0 0 5 -4,-1.6 4,-2.7 -3,-0.3 5,-0.3 0.940 112.3 47.1 -70.4 -48.4 34.7 87.9 50.5 48 48 A Q H X>S+ 0 0 54 -4,-3.1 4,-3.1 1,-0.2 5,-1.0 0.909 112.4 51.3 -58.7 -42.7 37.7 86.7 48.5 49 49 A K H <5S+ 0 0 185 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.927 110.9 47.9 -61.0 -45.4 35.9 87.5 45.3 50 50 A L H <5S+ 0 0 53 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.893 121.1 35.5 -64.0 -40.7 35.1 91.0 46.5 51 51 A I H <5S- 0 0 7 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.752 101.1-135.4 -88.4 -19.2 38.7 91.7 47.6 52 52 A G T <5 + 0 0 59 -4,-3.1 2,-0.3 -5,-0.3 -3,-0.2 0.797 66.0 105.0 74.9 26.6 40.2 89.7 44.8 53 53 A K S - 0 0 34 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.450 34.2-100.7 -92.2 169.7 41.9 79.8 64.2 60 60 A R H > S+ 0 0 108 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.888 126.1 49.2 -57.7 -38.9 41.7 81.3 67.7 61 61 A E H >>S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 5,-1.0 0.899 106.8 54.4 -68.7 -40.5 44.9 79.3 68.6 62 62 A D H >5S+ 0 0 46 3,-0.2 4,-0.9 2,-0.2 7,-0.2 0.926 118.3 36.5 -57.6 -43.5 46.7 80.6 65.5 63 63 A V H X5S+ 0 0 1 -4,-2.2 4,-1.5 3,-0.2 5,-0.2 0.975 120.1 42.8 -73.5 -59.3 45.9 84.1 66.5 64 64 A E H <5S+ 0 0 70 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.778 131.8 22.5 -62.7 -28.8 46.2 84.0 70.3 65 65 A L H <5S+ 0 0 107 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.2 0.734 135.7 26.2-109.2 -32.0 49.4 81.9 70.3 66 66 A N H >XS+ 0 0 0 -4,-1.5 4,-2.1 1,-0.3 5,-1.6 0.925 85.8 49.4 -54.8 -45.5 50.0 85.8 65.5 68 68 A E H 345S+ 0 0 75 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.569 115.4 44.6 -70.9 -8.5 53.6 86.9 65.7 69 69 A N H <45S+ 0 0 102 -3,-1.6 -1,-0.2 -7,-0.2 -2,-0.2 0.621 124.7 29.3-107.5 -20.9 54.8 83.7 63.9 70 70 A I H <5S+ 0 0 27 -4,-2.1 4,-0.3 -3,-0.3 -3,-0.2 0.827 132.6 20.3-105.1 -47.7 52.2 83.6 61.2 71 71 A V T >X5S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.4 3,-0.8 0.929 115.8 54.8 -91.4 -54.3 51.2 87.2 60.4 72 72 A L H 3>4 S+ 0 0 69 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.900 107.7 45.7 -53.1 -39.3 56.8 88.0 59.8 74 74 A L H X> S+ 0 0 51 -3,-0.8 4,-1.9 -4,-0.3 3,-0.9 0.800 103.5 63.4 -73.2 -28.6 55.1 88.8 56.5 75 75 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 32,-0.2 0.685 91.1 67.6 -69.5 -17.0 54.2 92.4 57.6 76 76 A K T << S+ 0 0 84 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.772 117.8 19.8 -76.6 -22.9 57.9 93.2 57.8 77 77 A E T <4 S+ 0 0 151 -3,-0.9 2,-0.2 -4,-0.4 -2,-0.2 0.559 128.8 34.1-119.3 -13.5 58.5 93.0 54.1 78 78 A N S < S- 0 0 42 -4,-1.9 -76,-1.5 -76,-0.1 2,-0.7 -0.756 84.0 -94.2-134.5 179.7 54.9 93.3 52.7 79 79 A D E -a 2 0A 51 -78,-0.3 -51,-2.0 -2,-0.2 -50,-1.6 -0.894 48.0-171.1 -99.4 114.6 51.5 95.0 53.3 80 80 A V E -ac 3 29A 0 -78,-3.2 -76,-3.4 -2,-0.7 2,-0.4 -0.870 12.9-158.9-115.4 144.9 49.4 92.6 55.2 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.4 -2,-0.4 2,-0.5 -0.936 3.0-164.2-120.4 141.9 45.7 92.8 56.1 82 82 A F E -ac 5 31A 0 -78,-3.0 -76,-1.8 -2,-0.4 -50,-0.3 -0.931 17.4-159.1-127.1 103.6 43.9 90.9 59.0 83 83 A L E +ac 6 32A 0 -52,-2.9 -50,-1.9 -2,-0.5 -76,-0.2 -0.554 14.3 172.6 -87.5 148.6 40.2 90.8 58.5 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-2.6 2,-0.2 -75,-0.4 -0.982 37.7 -94.3-148.8 155.3 37.6 90.3 61.2 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.272 92.1 -10.6 -65.7 160.7 33.7 90.4 61.5 86 86 A G B S-E 9 0B 1 -77,-3.5 -77,-1.4 -79,-0.1 -78,-0.5 -0.140 129.7 -14.6 49.4-140.2 32.3 93.7 62.7 87 87 A D > - 0 0 0 446,-2.6 3,-1.6 -80,-0.2 25,-0.1 -0.850 68.4-132.7 -94.8 129.4 34.8 96.1 64.1 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.725 101.4 42.5 -52.8 -28.5 38.2 94.4 64.8 89 89 A L T 3 S+ 0 0 10 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.388 88.1 104.1-104.2 3.5 38.7 95.8 68.3 90 90 A V S < S- 0 0 0 -3,-1.6 3,-0.1 443,-0.3 26,-0.1 -0.778 100.2 -17.7 -95.4 120.7 35.1 95.5 69.7 91 91 A A S S+ 0 0 41 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.885 117.9 93.4 56.7 41.6 34.5 92.7 72.2 92 92 A T S S- 0 0 23 -3,-0.5 -1,-0.3 441,-0.1 3,-0.2 -0.814 80.7-123.5-143.5 179.8 37.6 90.9 71.1 93 93 A T S > S+ 0 0 84 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 0.110 76.6 113.8-116.0 17.4 41.1 90.9 72.5 94 94 A H T > + 0 0 1 -6,-0.4 3,-1.3 1,-0.2 4,-0.4 0.741 58.6 76.1 -61.6 -24.6 42.6 91.9 69.1 95 95 A A T >> S+ 0 0 16 1,-0.3 3,-2.0 2,-0.2 4,-0.6 0.893 88.8 58.7 -54.5 -40.2 43.8 95.3 70.5 96 96 A E H X> S+ 0 0 54 -3,-1.1 4,-1.6 1,-0.3 3,-1.0 0.781 90.8 71.2 -60.8 -26.9 46.6 93.5 72.3 97 97 A L H <> S+ 0 0 3 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.3 0.718 89.3 61.6 -63.1 -20.1 47.8 92.3 68.9 98 98 A R H <> S+ 0 0 25 -3,-2.0 4,-2.7 -4,-0.4 -1,-0.3 0.822 100.2 53.6 -74.7 -30.6 48.8 95.8 68.1 99 99 A I H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 3,-1.0 0.957 110.8 46.8 -59.1 -51.6 53.0 94.3 66.2 102 102 A K H ><5S+ 0 0 98 -4,-2.7 3,-2.8 1,-0.3 -2,-0.2 0.941 108.8 54.3 -56.0 -50.0 54.8 97.2 67.7 103 103 A R H 3<5S+ 0 0 162 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.707 107.8 51.8 -59.6 -18.4 57.2 95.0 69.6 104 104 A A T <<5S- 0 0 42 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.340 121.9-109.2 -97.9 4.9 58.0 93.3 66.3 105 105 A G T < 5S+ 0 0 49 -3,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.777 74.5 138.7 73.5 26.1 58.7 96.7 64.7 106 106 A V < - 0 0 3 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.916 48.3-138.1-109.5 124.4 55.6 96.5 62.6 107 107 A E - 0 0 126 -2,-0.5 -104,-2.5 -106,-0.5 2,-0.4 -0.555 23.3-162.3 -76.8 141.5 53.4 99.5 62.1 108 108 A S E -b 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.965 11.4-166.9-130.5 146.5 49.7 98.9 62.2 109 109 A Y E -b 4 0A 64 -106,-2.5 -104,-3.1 -2,-0.4 2,-0.5 -0.958 14.6-139.5-128.0 147.3 46.6 100.8 61.1 110 110 A V E -b 5 0A 12 -2,-0.3 2,-0.7 -106,-0.2 -104,-0.2 -0.935 8.9-166.4-114.0 126.0 42.9 100.1 62.0 111 111 A I E -b 6 0A 5 -106,-3.4 -104,-2.9 -2,-0.5 -94,-0.1 -0.927 21.0-145.7-111.6 107.4 40.1 100.4 59.6 112 112 A H - 0 0 9 -2,-0.7 -95,-0.3 -106,-0.2 -92,-0.2 -0.163 17.0-175.1 -68.8 163.4 36.8 100.4 61.4 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.940 44.3 -63.0-151.1 163.6 33.5 98.9 60.2 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.310 57.1-158.4 -57.4 133.2 29.9 98.8 61.5 115 115 A S >> - 0 0 0 264,-0.3 4,-2.2 -29,-0.2 3,-1.0 -0.822 29.1-124.8-115.1 153.1 29.8 97.1 64.9 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.834 108.1 70.7 -62.7 -28.8 26.9 95.4 66.8 117 117 A Y H 34 S+ 0 0 17 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.819 111.2 26.7 -59.5 -33.8 27.8 97.8 69.7 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.2 1,-0.1 -1,-0.2 0.710 108.0 74.1 -99.9 -25.1 26.5 100.8 67.8 119 119 A A H >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.3 -2,-0.2 0.682 74.4 83.7 -61.3 -15.4 24.0 98.9 65.7 120 120 A V G ><> + 0 0 1 -4,-0.9 3,-2.3 1,-0.3 5,-0.5 0.690 69.7 83.0 -61.4 -14.9 21.9 98.6 68.9 121 121 A G G X 5S+ 0 0 2 -3,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.784 75.5 69.3 -59.6 -25.1 20.7 102.0 67.9 122 122 A I G < 5S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.602 84.5 70.5 -71.4 -7.6 18.2 100.3 65.5 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.587 109.9-118.6 -82.6 -10.4 16.3 99.0 68.6 124 124 A G T < 5S+ 0 0 2 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.362 73.7 130.8 89.0 -7.4 15.1 102.6 69.3 125 125 A L S - 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