==== 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 22-MAR-07 2EK7 . COMPND 2 MOLECULE: PROBABLE DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,M.TAKETA,Y.MORIKAWA,Y.MATSUURA,N.KUNISHIMA,RIKEN STR . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 71.6 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 . 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 14.1 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 0 3 3 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 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 0 129 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 65.1 55.5 96.2 55.1 2 2 A V E -ab 79 107A 15 76,-0.8 78,-3.1 104,-0.1 2,-0.4 -0.954 360.0-138.7-140.9 158.0 52.3 96.9 56.9 3 3 A L E -ab 80 108A 0 104,-2.3 106,-2.3 -2,-0.3 2,-0.5 -0.976 14.5-161.3-121.5 128.8 49.4 95.1 58.6 4 4 A Y E -ab 81 109A 36 76,-2.7 78,-3.3 -2,-0.4 2,-0.8 -0.927 9.7-155.7-112.0 129.8 45.7 96.1 58.2 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.4 -2,-0.5 2,-0.5 -0.922 26.5-176.3 -99.8 110.5 43.0 95.0 60.6 6 6 A I E -ab 83 111A 0 76,-2.1 78,-1.7 -2,-0.8 2,-0.2 -0.946 17.9-144.0-118.3 122.5 39.9 95.2 58.4 7 7 A G E -a 84 0A 0 104,-2.4 10,-0.5 -2,-0.5 80,-0.2 -0.560 3.1-160.3 -81.0 145.2 36.4 94.6 59.6 8 8 A L - 0 0 3 76,-2.7 7,-0.3 78,-0.3 3,-0.2 0.503 40.3-130.2-100.6 -9.8 33.9 92.9 57.2 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.1 75,-0.4 -1,-0.3 -0.319 32.6 -44.8 96.3-175.6 30.8 94.0 58.9 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.2 0.832 110.7 -7.2 -66.4 -49.5 27.5 92.6 60.2 11 11 A Y S S+ 0 0 52 1,-0.3 30,-2.4 199,-0.2 31,-0.3 0.762 112.5 10.7-125.6 -51.7 26.0 90.2 57.7 12 12 A D S > S- 0 0 19 29,-0.2 3,-2.0 28,-0.1 -1,-0.3 -0.755 80.4 -86.5-130.1 179.7 27.4 89.8 54.2 13 13 A E G > S+ 0 0 40 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.704 118.9 64.4 -61.1 -20.7 30.5 90.7 52.2 14 14 A R G 3 S+ 0 0 59 1,-0.2 271,-2.6 270,-0.1 270,-0.4 0.528 81.0 79.9 -82.8 -4.3 29.0 94.1 51.2 15 15 A D G < S+ 0 0 1 -3,-2.0 -1,-0.2 -7,-0.3 2,-0.2 0.454 70.8 104.2 -79.7 -1.2 29.0 95.3 54.8 16 16 A I S < S- 0 0 1 -3,-1.0 268,-2.5 97,-0.1 269,-0.3 -0.542 81.2-111.2 -72.5 149.4 32.7 96.1 54.4 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.3 266,-0.3 -0.433 20.3-116.2 -78.7 159.6 33.5 99.7 54.0 18 18 A V H > S+ 0 0 9 264,-2.5 4,-2.7 262,-0.4 5,-0.3 0.916 118.6 54.9 -58.9 -43.4 34.7 101.1 50.6 19 19 A K H > S+ 0 0 2 261,-2.6 4,-1.8 263,-0.3 -1,-0.2 0.936 109.4 46.6 -54.6 -49.7 38.0 102.0 52.4 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.8 92,-0.2 -1,-0.2 0.896 112.5 49.2 -62.2 -42.2 38.4 98.4 53.6 21 21 A L H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.939 111.1 48.4 -63.8 -48.0 37.6 96.9 50.2 22 22 A E H X S+ 0 0 85 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.836 116.1 44.1 -62.4 -34.1 40.0 99.1 48.3 23 23 A I H >< S+ 0 0 17 -4,-1.8 3,-0.6 -5,-0.3 4,-0.3 0.908 111.8 52.0 -77.7 -42.2 42.8 98.4 50.7 24 24 A A H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.860 104.4 59.3 -60.8 -36.0 42.1 94.7 50.9 25 25 A K H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 108.1 44.1 -62.6 -32.8 42.2 94.5 47.1 26 26 A K T << S+ 0 0 161 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.2 0.270 87.1 112.5 -98.8 10.8 45.8 95.8 47.0 27 27 A C < - 0 0 1 -3,-1.2 53,-0.2 -4,-0.3 3,-0.1 -0.620 61.9-142.9 -84.9 143.9 47.2 93.7 49.8 28 28 A D S S+ 0 0 89 51,-1.7 2,-0.4 -2,-0.3 52,-0.2 0.862 87.4 22.8 -71.9 -36.5 49.8 91.1 49.0 29 29 A Y E -c 80 0A 106 50,-1.7 52,-2.3 24,-0.1 2,-0.5 -0.994 67.2-162.1-134.8 139.6 48.5 88.6 51.5 30 30 A V E +cd 81 55A 6 24,-0.5 26,-2.4 -2,-0.4 2,-0.2 -0.965 10.5 176.4-128.0 118.8 45.1 88.3 53.2 31 31 A F E +cd 82 56A 5 50,-3.6 52,-3.0 -2,-0.5 2,-0.3 -0.704 7.4 176.6-109.7 165.8 44.3 86.4 56.4 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.1 50,-0.3 2,-0.4 -0.986 20.0-148.0-164.5 159.2 41.0 86.2 58.2 33 33 A E - 0 0 0 50,-2.0 26,-0.1 -2,-0.3 24,-0.0 -0.988 8.0-177.4-134.5 143.2 39.2 84.6 61.2 34 34 A F + 0 0 55 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.161 63.7 89.4-131.5 38.4 35.6 83.6 61.4 35 35 A Y S S+ 0 0 17 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.572 75.8 63.9-109.2 -14.8 35.4 82.4 65.0 36 36 A T S S- 0 0 11 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.665 118.5 -10.4 -84.0 -16.1 34.6 85.6 66.8 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.966 68.6-104.5-165.3 178.4 31.2 86.0 65.1 38 38 A L - 0 0 36 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.976 9.9-160.4-124.4 127.8 29.0 84.8 62.3 39 39 A M > - 0 0 13 -2,-0.5 3,-1.2 1,-0.1 -28,-0.2 -0.843 16.2-173.7-103.1 91.4 28.3 86.5 59.0 40 40 A A T 3 S+ 0 0 38 -2,-1.0 -28,-0.1 -30,-0.4 -1,-0.1 0.553 72.1 54.6 -65.4 -12.1 25.0 84.8 58.2 41 41 A G T 3 S+ 0 0 15 -30,-2.4 2,-0.2 -31,-0.1 -1,-0.2 0.260 104.5 41.9-110.8 15.6 24.6 86.2 54.7 42 42 A T < - 0 0 20 -3,-1.2 2,-0.3 -31,-0.3 -3,-0.1 -0.836 61.0-136.7-146.1-178.1 27.9 85.4 52.9 43 43 A T > - 0 0 70 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.916 34.7-106.6-139.4 164.8 30.5 82.7 52.3 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.918 121.3 55.8 -59.5 -40.0 34.3 82.6 52.2 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 106.7 47.5 -59.4 -41.7 34.0 82.3 48.4 46 46 A R H > S+ 0 0 137 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 112.6 49.8 -69.0 -35.5 31.9 85.4 48.0 47 47 A I H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.924 111.3 48.1 -68.7 -44.2 34.3 87.4 50.2 48 48 A Q H X>S+ 0 0 38 -4,-2.8 4,-2.5 1,-0.2 5,-1.3 0.916 111.1 52.0 -61.4 -42.2 37.3 86.2 48.2 49 49 A K H <5S+ 0 0 183 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.933 109.4 49.3 -59.7 -46.9 35.5 87.0 44.9 50 50 A L H <5S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 120.8 34.6 -60.8 -42.3 34.7 90.6 46.2 51 51 A I H <5S- 0 0 5 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.683 101.6-133.8 -86.7 -19.7 38.3 91.3 47.2 52 52 A G T <5 + 0 0 56 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.847 67.3 109.7 69.4 34.3 39.8 89.2 44.4 53 53 A K S - 0 0 41 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.400 35.0-100.8 -87.5 169.3 41.7 79.3 63.8 60 60 A R H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.874 126.6 50.2 -58.7 -35.9 41.6 80.8 67.3 61 61 A E H >>S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 5,-1.0 0.906 106.1 54.4 -69.6 -41.1 44.7 78.8 68.1 62 62 A D H >5S+ 0 0 48 3,-0.2 4,-1.0 2,-0.2 7,-0.2 0.925 118.9 35.7 -56.7 -44.5 46.5 80.0 65.0 63 63 A V H X5S+ 0 0 1 -4,-2.2 4,-1.7 3,-0.2 5,-0.2 0.973 121.1 41.7 -73.9 -60.2 45.8 83.6 66.1 64 64 A E H <5S+ 0 0 68 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.855 131.5 24.8 -60.9 -36.1 46.0 83.6 69.8 65 65 A L H <5S+ 0 0 110 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.782 137.1 22.8-100.3 -29.4 49.1 81.3 69.9 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 5,-1.6 0.921 85.9 50.1 -55.7 -44.2 49.7 85.3 65.0 68 68 A E H 345S+ 0 0 74 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.615 115.3 42.7 -70.7 -13.2 53.3 86.5 65.3 69 69 A N H <45S+ 0 0 102 -3,-1.3 -1,-0.2 -7,-0.2 -2,-0.2 0.680 125.0 31.6-103.8 -23.5 54.7 83.4 63.5 70 70 A I H <5S+ 0 0 28 -4,-2.3 4,-0.3 -8,-0.2 -3,-0.2 0.859 132.4 18.3 -99.7 -49.1 52.0 83.1 60.8 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.4 3,-0.8 0.936 116.6 54.9 -91.8 -57.2 50.9 86.7 60.0 72 72 A L G >44 S+ 0 0 59 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.927 105.7 46.5 -54.5 -44.5 56.5 87.6 59.4 74 74 A L G X> S+ 0 0 50 -3,-0.8 4,-1.0 -4,-0.3 3,-0.8 0.749 99.0 70.7 -68.1 -24.9 54.9 88.3 56.0 75 75 A A G << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.5 32,-0.2 0.510 87.7 67.5 -71.8 -3.0 54.0 91.9 57.1 76 76 A K G <4 S+ 0 0 108 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.819 116.1 19.3 -86.7 -32.9 57.7 92.8 56.9 77 77 A E T <4 S+ 0 0 166 -3,-0.8 2,-0.3 -4,-0.4 -2,-0.2 0.327 129.3 39.3-117.0 4.0 58.2 92.4 53.2 78 78 A N S < S- 0 0 40 -4,-1.0 -76,-0.8 -76,-0.0 2,-0.7 -0.937 81.9-102.7-147.8 168.3 54.6 92.7 52.1 79 79 A D E -a 2 0A 50 -2,-0.3 -50,-1.7 -78,-0.2 -51,-1.7 -0.868 45.9-171.7 -95.8 118.4 51.3 94.5 52.8 80 80 A V E -ac 3 29A 0 -78,-3.1 -76,-2.7 -2,-0.7 2,-0.4 -0.885 13.1-157.4-117.6 146.6 49.1 92.1 54.7 81 81 A A E -ac 4 30A 0 -52,-2.3 -50,-3.6 -2,-0.4 2,-0.5 -0.944 3.8-160.6-122.0 142.1 45.4 92.3 55.8 82 82 A F E -ac 5 31A 0 -78,-3.3 -76,-2.1 -2,-0.4 2,-0.3 -0.963 18.5-159.5-121.7 108.2 43.7 90.4 58.6 83 83 A L E +ac 6 32A 0 -52,-3.0 -50,-2.0 -2,-0.5 -76,-0.2 -0.670 13.6 174.0 -93.6 145.1 39.9 90.3 58.1 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.7 -2,-0.3 -75,-0.4 -0.971 37.0 -96.0-143.6 157.2 37.3 89.7 60.8 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.320 92.3 -11.2 -67.9 160.8 33.5 89.8 61.1 86 86 A G B S-E 9 0B 1 -77,-3.1 -77,-1.6 -79,-0.1 -78,-0.3 -0.154 129.5 -13.9 49.5-138.2 32.0 93.0 62.3 87 87 A D > - 0 0 0 446,-2.9 3,-1.3 -80,-0.2 25,-0.1 -0.866 67.8-132.8 -96.8 130.8 34.5 95.5 63.7 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.726 100.9 40.2 -53.4 -28.5 37.9 93.8 64.4 89 89 A L T > S+ 0 0 9 5,-0.1 3,-0.6 444,-0.1 2,-0.6 0.455 88.4 104.6-105.3 -0.3 38.3 95.2 67.9 90 90 A V T < S- 0 0 0 -3,-1.3 3,-0.1 443,-0.3 -3,-0.1 -0.723 101.4 -17.6 -89.2 121.9 34.8 94.9 69.3 91 91 A A T 3 S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.842 118.1 97.3 54.8 35.7 34.2 92.1 71.8 92 92 A T S < S- 0 0 21 -3,-0.6 -1,-0.2 441,-0.1 3,-0.2 -0.828 79.8-125.7-136.0 172.8 37.4 90.4 70.7 93 93 A T S > S+ 0 0 85 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 0.044 76.8 113.2-107.9 23.6 40.9 90.3 72.1 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.6 1,-0.2 4,-0.5 0.767 57.7 75.4 -67.3 -25.5 42.3 91.4 68.7 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-1.8 -3,-0.2 4,-0.5 0.892 89.9 59.4 -53.6 -37.6 43.5 94.8 70.0 96 96 A E H X> S+ 0 0 48 -3,-0.9 4,-1.4 1,-0.3 3,-1.0 0.779 90.8 69.7 -62.6 -26.1 46.3 93.0 71.8 97 97 A L H <> S+ 0 0 3 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.3 0.738 89.6 62.7 -65.2 -20.9 47.5 91.8 68.4 98 98 A R H S+ 0 0 0 -4,-1.9 5,-3.2 2,-0.2 -2,-0.2 0.950 111.2 47.0 -61.7 -48.2 52.7 93.8 65.6 102 102 A K H ><5S+ 0 0 95 -4,-2.3 3,-3.3 1,-0.2 -2,-0.2 0.964 110.3 50.4 -57.9 -55.0 54.5 96.8 67.3 103 103 A R H 3<5S+ 0 0 159 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 109.0 54.5 -56.4 -26.5 57.0 94.6 69.2 104 104 A A T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.370 121.3-111.8 -86.8 4.7 57.6 92.8 65.9 105 105 A G T < 5S+ 0 0 53 -3,-3.3 2,-0.5 1,-0.2 -3,-0.2 0.784 73.7 137.4 73.5 24.7 58.4 96.2 64.3 106 106 A V < - 0 0 4 -5,-3.2 -1,-0.2 -6,-0.2 2,-0.2 -0.916 50.0-136.9-111.5 122.8 55.3 96.1 62.1 107 107 A E E -b 2 0A 124 -106,-0.6 -104,-2.3 -2,-0.5 2,-0.3 -0.532 25.4-162.9 -73.3 137.9 53.1 99.1 61.6 108 108 A S E -b 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.938 11.5-166.8-127.8 150.3 49.4 98.4 61.8 109 109 A Y E -b 4 0A 65 -106,-2.3 -104,-3.1 -2,-0.3 2,-0.5 -0.955 13.6-139.5-131.1 150.8 46.2 100.2 60.8 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 367,-0.2 -104,-0.2 -0.950 9.1-167.9-118.0 127.6 42.6 99.6 61.7 111 111 A I E -b 6 0A 3 -106,-3.4 -104,-2.4 -2,-0.5 -94,-0.1 -0.955 21.1-146.8-112.3 112.2 39.7 99.8 59.2 112 112 A H - 0 0 8 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.187 16.5-175.8 -74.4 168.9 36.4 99.8 61.0 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.932 45.6 -59.0-154.6 166.5 33.1 98.3 59.8 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.306 57.6-158.7 -57.7 135.9 29.6 98.2 61.1 115 115 A S >> - 0 0 0 264,-0.3 4,-2.2 -29,-0.2 3,-1.1 -0.872 28.9-126.0-117.8 150.8 29.4 96.5 64.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.3 -1,-0.1 0.834 107.6 71.3 -62.3 -28.0 26.6 94.8 66.4 117 117 A Y H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.824 112.0 25.5 -59.1 -33.8 27.5 97.1 69.3 118 118 A S H X4 S+ 0 0 0 -3,-1.1 3,-2.1 1,-0.1 -1,-0.2 0.684 108.4 74.7-101.3 -22.8 26.1 100.2 67.4 119 119 A A H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.710 75.7 82.4 -61.7 -18.1 23.7 98.2 65.3 120 120 A V G ><> + 0 0 1 -4,-1.1 3,-2.6 1,-0.3 5,-0.5 0.712 69.1 83.5 -59.5 -18.4 21.6 97.9 68.4 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.802 75.7 69.6 -55.7 -27.3 20.3 101.3 67.5 122 122 A I G < 5S+ 0 0 6 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.621 84.3 69.8 -69.1 -11.6 17.8 99.6 65.2 123 123 A T G < 5S- 0 0 0 -3,-2.6 -1,-0.3 2,-0.2 -2,-0.2 0.592 110.2-120.7 -78.2 -10.2 16.0 98.3 68.3 124 124 A G T < 5S+ 0 0 2 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.399 71.8 131.5 88.1 -6.3 14.9 101.9 69.0 125 125 A L S - 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0 0 2 -9,-2.0 58,-0.5 -2,-0.5 2,-0.2 -0.325 25.4-143.2 -59.2 129.1 23.7 80.4 70.9 177 177 A T > - 0 0 37 1,-0.1 4,-1.9 56,-0.1 5,-0.1 -0.486 23.4-112.9 -89.7 163.3 20.1 81.6 70.2 178 178 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.838 119.3 59.0 -63.3 -31.5 18.2 84.2 72.2 179 179 A N H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 105.2 46.9 -62.5 -47.4 16.0 81.4 73.3 180 180 A E H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 111.1 52.5 -63.2 -36.9 18.9 79.4 74.8 181 181 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.907 109.2 49.4 -66.0 -41.0 20.2 82.6 76.5 182 182 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.884 110.2 50.7 -65.3 -38.8 16.7 83.2 78.1 183 183 A E H X S+ 0 0 70 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.935 111.4 48.1 -64.1 -46.3 16.6 79.6 79.3 184 184 A L H X S+ 0 0 20 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.913 111.2 51.0 -60.7 -43.4 20.0 79.9 80.9 185 185 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.868 106.9 52.9 -63.1 -39.0 19.1 83.2 82.5 186 186 A L H X S+ 0 0 29 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.915 108.9 50.9 -63.7 -39.5 15.9 81.8 84.0 187 187 A K H X S+ 0 0 108 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.881 109.3 49.7 -65.3 -37.6 18.0 79.0 85.6 188 188 A V H X S+ 0 0 2 -4,-1.9 4,-3.1 1,-0.2 5,-0.4 0.875 108.2 54.5 -68.4 -35.0 20.4 81.5 87.1 189 189 A E H X S+ 0 0 20 -4,-2.1 4,-3.6 1,-0.2 6,-0.2 0.918 104.1 54.7 -63.1 -42.8 17.4 83.4 88.5 190 190 A D H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.3 41.0 -57.0 -42.7 16.2 80.2 90.2 191 191 A M H < S+ 0 0 133 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.947 128.3 28.3 -71.7 -50.4 19.6 79.9 91.9 192 192 A K H < S- 0 0 80 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.775 82.4-161.0 -83.2 -28.8 20.2 83.5 92.8 193 193 A K < + 0 0 151 -4,-3.6 -3,-0.1 -5,-0.4 -4,-0.1 0.863 37.9 143.6 48.6 45.3 16.5 84.6 93.1 194 194 A G - 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