==== 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 01-MAR-07 2EGL . 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) . 21964.0 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 . 58 10.9 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 . 36 6.8 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 . 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 3 1 5 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 2 4 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 0 132 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 99.2 55.6 97.3 54.9 2 2 A V E -ab 79 107A 14 76,-0.7 78,-3.0 104,-0.1 2,-0.4 -0.925 360.0-129.0-143.4 166.1 52.5 97.7 57.1 3 3 A L E -ab 80 108A 0 104,-2.3 106,-2.2 -2,-0.3 2,-0.5 -0.982 18.1-161.1-121.9 127.7 49.7 95.7 58.6 4 4 A Y E -ab 81 109A 35 76,-2.8 78,-3.0 -2,-0.4 2,-0.7 -0.920 8.7-154.6-109.6 131.4 46.0 96.7 58.3 5 5 A F E -ab 82 110A 0 104,-2.9 106,-3.1 -2,-0.5 2,-0.5 -0.931 26.3-175.3-100.6 114.9 43.3 95.5 60.6 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.7 -2,-0.7 2,-0.2 -0.957 18.2-142.1-122.4 124.7 40.1 95.7 58.4 7 7 A G E -a 84 0A 0 104,-2.2 10,-0.5 -2,-0.5 80,-0.2 -0.560 3.9-161.4 -81.6 144.7 36.6 95.1 59.5 8 8 A L - 0 0 3 76,-2.7 7,-0.4 78,-0.3 3,-0.2 0.472 40.5-131.2-100.7 -7.8 34.2 93.3 57.1 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.4 75,-0.4 -1,-0.3 -0.340 33.0 -45.7 93.5-172.8 31.0 94.4 58.8 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.2 0.812 110.4 -6.6 -72.3 -44.3 27.8 92.8 60.1 11 11 A Y S S+ 0 0 53 1,-0.3 30,-2.4 -3,-0.2 31,-0.3 0.737 111.8 13.4-129.1 -51.2 26.3 90.5 57.5 12 12 A D S > S- 0 0 18 29,-0.2 3,-2.1 28,-0.1 -1,-0.3 -0.766 80.0 -88.0-130.6 177.7 27.7 90.2 54.0 13 13 A E G > S+ 0 0 38 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.729 118.1 64.9 -59.3 -22.7 30.8 91.2 52.0 14 14 A R G 3 S+ 0 0 64 1,-0.2 271,-2.9 270,-0.1 272,-0.3 0.457 80.9 80.6 -81.7 2.1 29.3 94.6 51.1 15 15 A D G < + 0 0 3 -3,-2.1 -1,-0.2 -7,-0.4 -5,-0.2 0.457 68.8 102.6 -85.8 0.2 29.4 95.7 54.7 16 16 A I S < S- 0 0 0 -3,-1.0 268,-2.5 97,-0.1 269,-0.3 -0.506 83.2-107.8 -75.9 150.2 33.1 96.5 54.4 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.440 20.6-116.8 -78.5 158.6 33.8 100.2 54.1 18 18 A V H > S+ 0 0 12 264,-2.5 4,-2.8 262,-0.4 5,-0.2 0.909 119.1 53.5 -59.0 -39.8 34.9 101.6 50.7 19 19 A K H > S+ 0 0 13 261,-2.6 4,-2.0 263,-0.3 5,-0.2 0.930 108.9 48.0 -59.5 -47.7 38.1 102.6 52.4 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.6 92,-0.2 -1,-0.2 0.887 112.6 49.0 -62.2 -40.8 38.7 99.1 53.6 21 21 A L H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 110.6 48.4 -64.3 -50.3 37.9 97.6 50.2 22 22 A E H X S+ 0 0 73 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.866 116.0 45.0 -61.1 -35.7 40.3 99.9 48.3 23 23 A I H >< S+ 0 0 28 -4,-2.0 3,-0.9 -5,-0.2 4,-0.5 0.929 112.3 50.3 -73.5 -42.7 43.1 99.3 50.8 24 24 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.918 104.2 60.1 -59.0 -42.6 42.5 95.5 50.9 25 25 A K H 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.752 108.4 44.5 -57.2 -28.1 42.6 95.4 47.0 26 26 A K T << S+ 0 0 151 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.383 88.4 108.7-100.7 2.5 46.1 96.8 47.0 27 27 A C < - 0 0 4 -3,-1.6 53,-0.2 -4,-0.5 3,-0.1 -0.452 63.8-140.3 -78.4 154.5 47.6 94.6 49.8 28 28 A D S S+ 0 0 75 51,-2.3 2,-0.4 1,-0.2 52,-0.2 0.847 87.0 22.7 -81.9 -37.1 50.1 91.9 48.9 29 29 A Y E -c 80 0A 105 50,-1.6 52,-2.1 24,-0.1 2,-0.5 -0.990 67.7-162.0-132.7 139.9 48.8 89.3 51.4 30 30 A V E +cd 81 55A 6 24,-0.6 26,-2.4 -2,-0.4 2,-0.3 -0.982 11.2 175.9-128.3 122.4 45.4 89.1 53.0 31 31 A F E +cd 82 56A 7 50,-3.2 52,-3.0 -2,-0.5 2,-0.3 -0.734 5.3 178.0-114.9 168.0 44.6 87.1 56.1 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.3 50,-0.3 2,-0.4 -0.987 20.5-146.2-165.1 160.3 41.4 86.8 58.1 33 33 A E E - d 0 58A 0 50,-1.8 26,-0.1 -2,-0.3 24,-0.0 -0.984 8.3-177.8-132.7 143.3 39.7 85.1 61.0 34 34 A F + 0 0 60 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.080 63.3 87.5-132.2 34.4 36.0 84.1 61.2 35 35 A Y S S+ 0 0 11 23,-0.2 135,-0.4 1,-0.1 3,-0.1 0.628 75.2 65.6-106.1 -18.4 35.7 82.7 64.7 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.753 118.0 -6.5 -76.2 -23.6 34.9 86.0 66.6 37 37 A S S S- 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.961 70.6-106.1-159.8 173.3 31.6 86.4 64.9 38 38 A L - 0 0 34 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.1 -0.949 12.0-162.5-117.4 124.5 29.3 85.0 62.1 39 39 A M > - 0 0 16 -2,-0.5 3,-1.0 1,-0.1 -28,-0.2 -0.834 15.2-178.7-101.8 92.7 28.7 86.8 58.8 40 40 A A T 3 + 0 0 40 -2,-1.0 -28,-0.1 -30,-0.3 -1,-0.1 0.514 68.7 59.5 -73.4 -6.3 25.5 84.9 57.8 41 41 A G T 3 S+ 0 0 17 -30,-2.4 2,-0.2 -31,-0.1 -1,-0.2 0.227 104.2 34.5-110.6 17.6 25.0 86.6 54.4 42 42 A T < - 0 0 21 -3,-1.0 2,-0.3 -31,-0.3 -3,-0.1 -0.819 62.7-131.4-150.1-171.9 28.2 85.8 52.5 43 43 A T > - 0 0 73 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.928 34.4-105.5-143.9 166.0 30.9 83.2 51.9 44 44 A L H > S+ 0 0 67 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.905 120.4 56.4 -61.3 -39.0 34.7 83.2 51.8 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 106.2 47.4 -59.3 -44.6 34.4 83.0 48.0 46 46 A R H > S+ 0 0 150 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 112.7 49.1 -66.7 -37.7 32.3 86.1 47.7 47 47 A I H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.924 111.6 50.3 -66.7 -43.1 34.7 88.1 49.9 48 48 A Q H X>S+ 0 0 58 -4,-2.7 4,-1.7 1,-0.2 5,-1.0 0.902 110.1 49.7 -61.4 -41.2 37.6 86.8 47.9 49 49 A K H <5S+ 0 0 185 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.897 109.7 52.1 -65.4 -39.5 36.0 87.9 44.6 50 50 A L H <5S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 118.4 34.0 -63.7 -46.9 35.2 91.3 46.0 51 51 A I H <5S- 0 0 4 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.646 100.8-133.8 -85.1 -13.7 38.8 92.1 47.1 52 52 A G T <5 + 0 0 59 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.788 68.2 104.5 67.7 28.8 40.3 90.2 44.3 53 53 A K S - 0 0 25 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.408 34.0-100.3 -88.5 169.9 42.1 79.7 63.4 60 60 A R H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.894 127.3 49.0 -57.6 -38.9 41.9 81.1 66.9 61 61 A E H >>S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 5,-1.0 0.914 106.4 55.5 -67.4 -41.8 45.1 79.2 67.7 62 62 A D H >5S+ 0 0 43 3,-0.2 4,-1.0 2,-0.2 7,-0.2 0.922 117.7 36.1 -55.2 -45.8 46.9 80.6 64.7 63 63 A V H X5S+ 0 0 2 -4,-2.3 4,-1.7 3,-0.2 5,-0.2 0.985 120.8 41.3 -72.2 -62.7 46.1 84.1 65.8 64 64 A E H <5S+ 0 0 75 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.849 131.4 25.4 -58.0 -37.6 46.4 83.9 69.6 65 65 A L H <5S+ 0 0 106 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.806 136.4 22.5 -98.6 -32.6 49.5 81.7 69.6 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 5,-1.6 0.903 85.4 50.9 -57.1 -39.9 50.1 85.8 64.9 68 68 A E H 345S+ 0 0 79 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.546 114.3 43.6 -75.1 -7.4 53.7 87.0 65.1 69 69 A N H <45S+ 0 0 104 -3,-1.6 -1,-0.2 -7,-0.2 -2,-0.2 0.609 123.9 31.7-109.8 -18.5 55.0 83.9 63.2 70 70 A I H <5S+ 0 0 28 -4,-1.9 4,-0.3 -8,-0.2 -3,-0.2 0.828 131.7 19.0-104.6 -48.5 52.4 83.8 60.5 71 71 A V T >X5S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.4 3,-0.7 0.920 116.7 54.6 -92.9 -53.8 51.3 87.4 59.7 72 72 A L H 3>4 S+ 0 0 65 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.926 108.3 42.4 -57.1 -42.5 56.9 88.3 59.2 74 74 A L H X> S+ 0 0 52 -3,-0.7 3,-1.4 -4,-0.3 4,-0.9 0.804 104.7 65.0 -72.1 -31.1 55.3 89.2 55.9 75 75 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 32,-0.2 0.600 89.7 68.5 -69.1 -11.0 54.2 92.6 57.1 76 76 A K T << S+ 0 0 110 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.694 118.8 17.4 -81.4 -18.6 57.9 93.6 57.5 77 77 A E T <4 S+ 0 0 168 -3,-1.4 2,-0.3 -4,-0.2 -2,-0.2 0.274 127.5 41.8-133.5 7.5 58.4 93.5 53.7 78 78 A N S < S- 0 0 43 -4,-0.9 -76,-0.7 -76,-0.1 2,-0.7 -0.929 84.0 -97.9-148.5 169.5 54.9 93.7 52.3 79 79 A D E -a 2 0A 53 -2,-0.3 -51,-2.3 -78,-0.2 -50,-1.6 -0.863 49.2-173.8 -93.3 118.3 51.5 95.4 52.7 80 80 A V E -ac 3 29A 0 -78,-3.0 -76,-2.8 -2,-0.7 2,-0.4 -0.923 13.7-161.0-120.7 143.1 49.4 92.9 54.7 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-3.2 -2,-0.4 2,-0.5 -0.929 4.9-161.0-121.1 145.5 45.8 93.0 55.7 82 82 A F E -ac 5 31A 0 -78,-3.0 -76,-2.5 -2,-0.4 2,-0.3 -0.976 17.8-157.9-125.8 111.8 44.0 91.1 58.5 83 83 A L E +ac 6 32A 0 -52,-3.0 -50,-1.8 -2,-0.5 -76,-0.2 -0.677 14.4 173.7 -95.1 146.9 40.2 90.9 58.0 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 -95.2-145.9 157.0 37.6 90.2 60.7 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.344 92.1 -11.7 -68.7 159.3 33.8 90.2 61.0 86 86 A G B S-E 9 0B 1 -77,-3.4 -77,-1.6 -79,-0.1 -78,-0.3 -0.181 129.8 -13.8 51.1-137.2 32.2 93.5 62.2 87 87 A D > - 0 0 0 446,-2.5 3,-1.7 -80,-0.2 25,-0.1 -0.863 67.1-134.1 -97.6 129.0 34.7 95.9 63.7 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.700 101.1 42.8 -55.5 -24.1 38.1 94.3 64.3 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 304,-0.3 0.200 90.1 100.0-110.9 16.1 38.5 95.8 67.8 90 90 A V S < S- 0 0 0 -3,-1.7 -3,-0.1 1,-0.2 3,-0.1 -0.905 102.0 -15.8-108.1 120.9 35.0 95.3 69.2 91 91 A A S S+ 0 0 45 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.828 117.1 98.7 58.6 31.7 34.3 92.4 71.6 92 92 A T S S- 0 0 20 -3,-0.2 -1,-0.3 441,-0.1 3,-0.2 -0.840 78.4-128.5-132.1 170.6 37.6 90.8 70.5 93 93 A T S > S+ 0 0 87 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 0.127 76.0 112.9-104.3 22.0 41.0 90.6 72.0 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.4 1,-0.2 4,-0.6 0.729 55.9 77.8 -69.9 -20.5 42.6 91.8 68.7 95 95 A A H >> S+ 0 0 18 1,-0.3 3,-1.9 -3,-0.2 4,-0.6 0.927 88.1 60.2 -54.9 -39.1 43.7 95.2 70.1 96 96 A E H X> S+ 0 0 57 -3,-1.0 4,-1.4 1,-0.3 3,-1.1 0.793 90.7 69.3 -58.5 -28.7 46.6 93.3 71.8 97 97 A L H <> S+ 0 0 2 -3,-1.4 4,-1.9 -4,-0.4 -1,-0.3 0.743 89.3 63.1 -64.0 -22.2 47.8 92.2 68.3 98 98 A R H S+ 0 0 0 -4,-1.9 5,-3.0 2,-0.2 3,-0.3 0.938 108.7 48.4 -60.5 -47.5 52.9 94.5 65.7 102 102 A K H ><5S+ 0 0 101 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.946 108.8 53.5 -57.8 -49.9 54.8 97.3 67.4 103 103 A R H 3<5S+ 0 0 164 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 107.6 51.5 -54.9 -33.7 57.3 94.8 69.0 104 104 A A T 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.387 119.9-111.8 -85.3 3.8 58.0 93.4 65.5 105 105 A G T < 5S+ 0 0 62 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.805 73.3 139.0 70.5 28.9 58.7 96.9 64.2 106 106 A V < - 0 0 3 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.2 -0.930 49.6-136.7-112.0 121.7 55.6 96.8 62.1 107 107 A E E -b 2 0A 131 -106,-0.6 -104,-2.3 -2,-0.5 2,-0.4 -0.511 24.9-160.3 -72.7 140.2 53.3 99.8 61.8 108 108 A S E -b 3 0A 14 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.947 10.6-167.1-127.7 149.4 49.6 99.0 62.0 109 109 A Y E -b 4 0A 66 -106,-2.2 -104,-2.9 -2,-0.4 2,-0.5 -0.950 13.5-138.3-131.3 150.2 46.5 100.8 60.9 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 367,-0.2 -104,-0.2 -0.939 10.3-169.5-116.6 129.0 42.8 100.2 61.7 111 111 A I E -b 6 0A 3 -106,-3.1 -104,-2.2 -2,-0.5 -94,-0.1 -0.964 21.8-144.6-115.7 114.2 39.9 100.4 59.3 112 112 A H - 0 0 9 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.167 17.4-176.0 -74.9 167.9 36.5 100.3 61.0 113 113 A A - 0 0 0 266,-0.1 268,-0.2 -97,-0.1 266,-0.1 -0.952 45.0 -60.0-154.7 164.8 33.3 98.7 59.9 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.248 56.7-160.3 -53.3 134.7 29.7 98.4 61.1 115 115 A S >> - 0 0 0 264,-0.3 4,-2.5 -29,-0.2 3,-1.0 -0.894 28.4-128.6-120.7 149.6 29.6 96.7 64.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.816 106.2 71.6 -64.3 -27.1 26.7 95.0 66.4 117 117 A Y H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 46,-0.0 0.846 113.6 24.0 -57.4 -36.0 27.6 97.2 69.3 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.0 1,-0.1 -1,-0.2 0.729 110.1 72.5-100.8 -27.8 26.2 100.3 67.5 119 119 A A H >< S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.3 -2,-0.2 0.708 77.2 81.0 -60.4 -20.4 23.8 98.5 65.1 120 120 A V G ><> + 0 0 0 -4,-1.2 3,-2.0 1,-0.3 5,-0.5 0.607 68.9 85.4 -63.4 -7.2 21.6 97.8 68.1 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.771 73.6 72.4 -60.9 -23.4 20.4 101.4 67.5 122 122 A I G < 5S+ 0 0 5 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.621 81.8 70.7 -68.4 -10.8 18.0 99.8 65.0 123 123 A T G < 5S- 0 0 0 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.602 112.0-117.7 -77.5 -12.9 16.0 98.4 68.0 124 124 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.3 1,-0.3 125,-0.2 0.360 73.5 131.5 93.6 -8.1 14.9 101.9 68.7 125 125 A L < - 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0 0 3 -9,-2.2 58,-0.5 -2,-0.5 2,-0.2 -0.364 25.5-142.8 -61.6 129.8 23.8 80.5 70.5 177 177 A T > - 0 0 36 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.502 23.2-113.2 -89.8 162.3 20.2 81.6 69.8 178 178 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.854 119.2 58.3 -61.0 -33.5 18.3 84.3 71.7 179 179 A N H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 105.5 46.5 -62.3 -47.3 16.1 81.4 72.9 180 180 A E H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 111.1 53.4 -63.8 -36.8 18.9 79.5 74.4 181 181 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.909 108.6 49.2 -64.2 -41.9 20.2 82.6 76.1 182 182 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.914 109.2 52.2 -63.8 -43.0 16.8 83.2 77.7 183 183 A E H X S+ 0 0 75 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.930 110.9 47.7 -59.6 -44.7 16.6 79.7 78.9 184 184 A L H X S+ 0 0 19 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.928 110.2 52.1 -62.2 -45.7 20.0 80.0 80.6 185 185 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.894 106.7 52.9 -59.1 -41.1 19.0 83.4 82.2 186 186 A L H X S+ 0 0 29 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.878 108.5 51.7 -62.7 -35.5 15.9 81.8 83.6 187 187 A K H X S+ 0 0 113 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.871 109.5 48.2 -68.7 -37.1 18.0 79.1 85.2 188 188 A V H X S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.890 108.8 55.4 -69.7 -37.0 20.3 81.6 86.7 189 189 A E H X S+ 0 0 17 -4,-2.4 4,-3.8 1,-0.2 6,-0.2 0.926 105.9 50.0 -59.8 -46.3 17.3 83.5 88.1 190 190 A D H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.787 115.1 46.5 -63.2 -26.1 16.0 80.4 89.8 191 191 A M H < S+ 0 0 150 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.858 125.8 26.4 -84.0 -38.8 19.5 80.0 91.3 192 192 A K H < S- 0 0 93 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.752 82.3-153.0 -96.9 -28.8 20.0 83.6 92.4 193 193 A K < + 0 0 150 -4,-3.8 -3,-0.1 -5,-0.3 -4,-0.1 0.816 44.8 141.5 60.1 33.5 16.4 84.8 92.9 194 194 A G - 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