==== 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 28-MAR-07 2EMU . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 69.7 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 4 2 2 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 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 0 119 0, 0.0 106,-0.5 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 75.7 55.4 96.4 55.2 2 2 A V E -a 79 0A 15 76,-0.5 78,-3.2 104,-0.1 2,-0.5 -0.930 360.0-119.3-145.6 166.8 52.6 97.2 57.6 3 3 A L E -ab 80 108A 0 104,-2.7 106,-2.4 -2,-0.3 2,-0.5 -0.951 19.0-162.7-118.2 127.7 49.6 95.5 59.4 4 4 A Y E -ab 81 109A 34 76,-3.2 78,-3.1 -2,-0.5 2,-0.8 -0.913 8.8-157.0-109.9 123.2 46.0 96.4 58.9 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.2 -2,-0.5 2,-0.5 -0.880 26.0-172.9 -94.1 112.0 43.2 95.3 61.3 6 6 A I E -ab 83 111A 0 76,-2.3 78,-1.6 -2,-0.8 2,-0.2 -0.924 16.9-143.9-118.2 121.1 40.1 95.5 59.1 7 7 A G E -a 84 0A 0 104,-2.8 10,-0.5 -2,-0.5 80,-0.2 -0.506 4.6-162.9 -76.9 144.6 36.6 95.1 60.3 8 8 A L - 0 0 3 76,-2.6 7,-0.3 78,-0.4 3,-0.1 0.459 38.2-128.5-104.2 -7.2 34.1 93.3 58.0 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.5 75,-0.4 -1,-0.3 -0.357 32.3 -50.9 96.2-172.5 30.9 94.5 59.6 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.891 109.5 -3.5 -77.5 -48.9 27.7 92.9 60.9 11 11 A Y S S+ 0 0 52 1,-0.3 30,-2.2 199,-0.2 31,-0.3 0.816 112.2 9.2-120.2 -53.9 26.1 90.6 58.4 12 12 A D S > S- 0 0 21 198,-0.2 3,-1.9 29,-0.2 -1,-0.3 -0.708 80.9 -85.3-127.7-178.5 27.6 90.2 54.9 13 13 A E G > S+ 0 0 41 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.678 119.0 65.4 -63.8 -17.9 30.6 91.1 52.9 14 14 A R G 3 S+ 0 0 61 1,-0.2 271,-2.6 270,-0.1 270,-0.3 0.495 80.4 80.2 -84.5 0.1 29.2 94.5 51.9 15 15 A D G < + 0 0 2 -3,-1.9 -1,-0.2 -7,-0.3 -5,-0.2 0.487 69.6 101.8 -83.2 -1.0 29.3 95.6 55.6 16 16 A I S < S- 0 0 2 -3,-0.9 268,-2.6 97,-0.1 269,-0.4 -0.507 83.0-109.4 -75.8 150.6 33.0 96.4 55.2 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.3 95,-0.4 266,-0.3 -0.431 22.1-113.7 -78.8 161.0 33.7 100.1 54.7 18 18 A V H > S+ 0 0 8 264,-2.6 4,-2.8 262,-0.5 5,-0.3 0.894 120.0 55.9 -58.7 -38.9 34.9 101.4 51.4 19 19 A K H > S+ 0 0 2 261,-2.4 4,-2.1 263,-0.4 5,-0.2 0.916 108.5 45.4 -58.6 -46.7 38.1 102.3 53.1 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -1,-0.2 0.854 112.5 52.8 -67.2 -34.6 38.6 98.7 54.3 21 21 A H H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.971 112.0 42.4 -64.3 -55.6 37.6 97.4 50.8 22 22 A E H X S+ 0 0 84 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.853 118.7 45.3 -61.6 -37.2 40.2 99.5 48.9 23 23 A I H >< S+ 0 0 17 -4,-2.1 3,-0.7 -5,-0.3 4,-0.4 0.918 111.8 51.0 -74.6 -42.3 42.9 98.9 51.4 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.883 104.4 60.0 -60.4 -38.7 42.3 95.1 51.7 25 25 A K H 3< S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.806 107.4 45.7 -57.6 -33.7 42.4 94.9 47.9 26 26 A K T << S+ 0 0 168 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.372 86.5 109.9 -95.8 3.6 46.0 96.2 47.9 27 27 A C < - 0 0 0 -3,-1.3 53,-0.2 -4,-0.4 3,-0.1 -0.495 62.2-142.1 -79.6 151.0 47.4 94.0 50.7 28 28 A D S S+ 0 0 85 51,-2.0 2,-0.4 1,-0.2 52,-0.2 0.897 86.4 22.5 -77.9 -42.2 49.9 91.3 49.8 29 29 A Y E -c 80 0A 107 50,-1.6 52,-2.3 24,-0.1 2,-0.5 -0.972 68.2-160.9-128.4 142.3 48.6 88.8 52.3 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.3 -2,-0.4 2,-0.2 -0.978 10.7 176.7-128.9 122.4 45.2 88.6 54.0 31 31 A F E +cd 82 56A 8 50,-3.5 52,-2.8 -2,-0.5 2,-0.3 -0.714 6.3 174.7-113.2 169.1 44.4 86.7 57.2 32 32 A A E -cd 83 57A 0 24,-1.6 26,-3.3 50,-0.3 2,-0.4 -0.982 21.2-146.9-168.9 159.1 41.2 86.5 59.1 33 33 A E - 0 0 0 50,-1.6 26,-0.1 -2,-0.3 24,-0.0 -0.983 6.9-176.1-134.2 144.2 39.4 84.9 62.0 34 34 A F + 0 0 60 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.218 64.2 87.2-133.4 42.0 35.7 84.0 62.2 35 35 A Y S S+ 0 0 19 23,-0.1 135,-0.4 3,-0.1 3,-0.1 0.586 74.9 65.5-113.7 -18.9 35.4 82.7 65.8 36 36 A T S S- 0 0 15 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.724 119.0 -8.2 -77.3 -20.4 34.7 86.0 67.6 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.969 70.6-105.8-163.4 172.6 31.4 86.5 65.9 38 38 A L - 0 0 33 -2,-0.3 2,-1.0 -3,-0.1 3,-0.1 -0.947 11.0-163.1-118.3 123.3 29.1 85.2 63.1 39 39 A M > - 0 0 14 -2,-0.5 3,-1.1 1,-0.1 -28,-0.2 -0.813 16.2-177.6-100.5 90.7 28.5 86.9 59.8 40 40 A A T 3 + 0 0 41 -2,-1.0 -1,-0.1 -30,-0.3 -28,-0.1 0.584 69.0 58.1 -67.4 -14.6 25.3 85.0 58.8 41 41 A G T 3 S+ 0 0 16 -30,-2.2 2,-0.2 -31,-0.1 -1,-0.2 0.289 104.3 39.2-104.6 14.4 24.8 86.6 55.4 42 42 A T < - 0 0 20 -3,-1.1 2,-0.3 -31,-0.3 -3,-0.1 -0.838 62.4-136.5-146.6-178.8 28.0 85.8 53.6 43 43 A T > - 0 0 73 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.873 35.1-103.9-137.6 169.8 30.7 83.1 53.0 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.913 121.0 55.2 -63.1 -40.9 34.5 83.0 52.8 45 45 A G H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 107.2 48.3 -58.7 -43.0 34.3 82.7 49.1 46 46 A R H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 113.3 47.4 -66.3 -37.9 32.1 85.9 48.8 47 47 A I H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 5,-0.2 0.944 113.1 48.9 -67.2 -46.4 34.5 87.8 51.0 48 48 A Q H X>S+ 0 0 52 -4,-3.3 5,-1.5 1,-0.2 4,-1.2 0.905 111.4 50.2 -58.0 -42.7 37.5 86.5 49.0 49 49 A K H <5S+ 0 0 185 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.866 107.4 54.4 -64.8 -37.5 35.8 87.5 45.7 50 50 A L H <5S+ 0 0 42 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 119.5 30.9 -66.8 -38.6 35.0 91.0 47.0 51 51 A I H <5S- 0 0 6 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.498 104.2-127.8 -98.0 -4.5 38.6 91.8 47.9 52 52 A G T <5 + 0 0 57 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.873 69.3 111.9 61.5 40.4 40.1 89.6 45.2 53 53 A K S - 0 0 39 -2,-0.3 4,-2.1 -26,-0.1 5,-0.2 -0.359 34.7-100.4 -87.5 173.0 41.8 79.6 64.7 60 60 A R H > S+ 0 0 116 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.900 125.7 50.6 -61.2 -40.0 41.6 81.1 68.2 61 61 A E H >>S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 5,-1.1 0.903 106.4 53.8 -65.6 -41.4 44.7 79.2 69.1 62 62 A D H >5S+ 0 0 40 3,-0.2 4,-1.2 2,-0.2 7,-0.2 0.943 118.5 36.7 -56.7 -47.7 46.6 80.4 66.0 63 63 A V H X5S+ 0 0 1 -4,-2.1 4,-1.5 3,-0.2 5,-0.2 0.984 120.6 42.5 -68.6 -62.2 45.7 84.0 67.0 64 64 A E H <5S+ 0 0 71 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.800 133.2 19.9 -59.4 -33.1 46.0 83.9 70.7 65 65 A L H <5S+ 0 0 109 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.756 136.1 28.2-108.1 -31.6 49.2 81.8 70.8 66 66 A N H >XS+ 0 0 0 -4,-1.5 4,-2.4 1,-0.3 5,-1.4 0.950 85.0 48.5 -54.5 -51.0 49.8 85.6 66.0 68 68 A E H 345S+ 0 0 75 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.524 115.2 46.1 -68.4 -5.1 53.4 86.8 66.1 69 69 A N H <45S+ 0 0 101 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.658 123.9 29.1-107.5 -24.7 54.6 83.6 64.4 70 70 A I H <5S+ 0 0 26 -4,-2.1 4,-0.3 -3,-0.4 -3,-0.2 0.845 133.9 18.8-101.6 -47.7 52.0 83.4 61.6 71 71 A V T >X5S+ 0 0 0 -4,-2.4 3,-0.9 -5,-0.4 4,-0.8 0.927 115.6 55.9 -93.3 -55.9 51.0 87.0 60.8 72 72 A L H >>4 S+ 0 0 71 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.905 104.2 47.8 -52.6 -42.6 56.6 87.9 60.3 74 74 A L H X> S+ 0 0 52 -3,-0.9 4,-3.0 -4,-0.3 3,-1.1 0.712 101.6 64.5 -71.2 -21.9 55.0 88.8 56.9 75 75 A A H << S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.8 32,-0.2 0.678 88.8 68.8 -75.3 -17.3 54.2 92.3 58.0 76 76 A K T << S+ 0 0 91 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.1 0.303 120.4 16.5 -82.8 10.2 57.9 93.0 58.3 77 77 A E T <4 S+ 0 0 150 -3,-1.1 -2,-0.2 1,-0.4 2,-0.2 0.447 127.7 33.4-146.1 -40.3 58.2 92.8 54.5 78 78 A N S < S- 0 0 39 -4,-3.0 2,-0.7 -77,-0.1 -76,-0.5 -0.602 84.2 -93.5-119.6 177.8 54.7 93.0 53.0 79 79 A D E -a 2 0A 46 -78,-0.3 -51,-2.0 -2,-0.2 -50,-1.6 -0.867 48.9-169.3 -94.5 117.8 51.4 94.8 53.6 80 80 A V E -ac 3 29A 0 -78,-3.2 -76,-3.2 -2,-0.7 2,-0.4 -0.887 11.7-157.7-115.2 143.5 49.2 92.4 55.6 81 81 A A E -ac 4 30A 0 -52,-2.3 -50,-3.5 -2,-0.4 2,-0.5 -0.930 3.7-163.8-119.1 142.0 45.6 92.5 56.5 82 82 A F E -ac 5 31A 0 -78,-3.1 -76,-2.3 -2,-0.4 -50,-0.3 -0.952 17.8-160.6-125.1 106.6 43.8 90.8 59.4 83 83 A L E +ac 6 32A 0 -52,-2.8 -50,-1.6 -2,-0.5 -76,-0.2 -0.618 13.3 173.4 -91.1 148.3 40.1 90.7 58.9 84 84 A T E -a 7 0A 1 -78,-1.6 -76,-2.6 -2,-0.2 -75,-0.4 -0.987 37.1 -97.2-148.6 154.2 37.4 90.2 61.6 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.368 92.8 -7.0 -68.5 157.0 33.6 90.3 61.9 86 86 A G B S-E 9 0B 0 -77,-3.5 -77,-1.6 -79,-0.1 -78,-0.4 -0.264 129.4 -14.0 58.6-141.8 32.2 93.5 63.2 87 87 A D > - 0 0 0 446,-2.4 3,-1.9 -80,-0.2 25,-0.1 -0.846 68.2-130.1 -95.5 129.4 34.8 96.0 64.4 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.713 102.8 39.5 -50.2 -28.3 38.2 94.4 65.0 89 89 A L T 3 S+ 0 0 8 5,-0.1 2,-0.5 444,-0.1 3,-0.4 0.222 89.6 108.8-111.1 16.5 38.7 95.8 68.5 90 90 A V S < S- 0 0 0 -3,-1.9 3,-0.1 1,-0.2 -3,-0.1 -0.832 94.1 -17.2-102.4 125.3 35.2 95.4 70.0 91 91 A A S S+ 0 0 40 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.889 117.3 94.5 53.0 41.6 34.3 92.8 72.6 92 92 A T S S- 0 0 27 -3,-0.4 -1,-0.2 441,-0.1 3,-0.2 -0.804 84.5-118.7-143.4-178.3 37.5 90.9 71.8 93 93 A T S > S+ 0 0 85 -2,-0.3 3,-0.5 1,-0.1 4,-0.4 -0.015 79.1 114.0-114.5 22.5 41.1 90.8 73.1 94 94 A H T >> + 0 0 2 -6,-0.2 3,-1.1 1,-0.2 4,-0.5 0.758 57.8 71.5 -67.7 -27.6 42.4 92.0 69.7 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-2.2 2,-0.2 4,-0.7 0.913 92.3 59.6 -55.4 -42.1 43.7 95.4 70.9 96 96 A E H X> S+ 0 0 44 -3,-0.5 4,-1.6 1,-0.3 3,-0.9 0.811 91.6 68.5 -56.4 -30.9 46.5 93.5 72.7 97 97 A L H <> S+ 0 0 3 -3,-1.1 4,-1.9 -4,-0.4 -1,-0.3 0.752 92.7 59.4 -61.9 -22.8 47.5 92.1 69.3 98 98 A R H <>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 3,-0.8 0.943 109.5 50.1 -60.8 -47.8 52.8 94.1 66.6 102 102 A K H ><5S+ 0 0 92 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.910 108.1 52.4 -58.0 -44.6 54.6 97.1 68.1 103 103 A R H 3<5S+ 0 0 151 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.731 107.1 53.8 -65.7 -20.8 57.1 94.9 70.0 104 104 A A T <<5S- 0 0 39 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.283 121.9-107.9 -94.7 9.1 57.9 93.1 66.7 105 105 A G T < 5S+ 0 0 40 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.771 76.1 137.0 71.5 25.1 58.7 96.4 65.0 106 106 A V < - 0 0 3 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.911 48.5-139.8-110.2 129.2 55.5 96.3 63.0 107 107 A E - 0 0 126 -2,-0.5 -104,-2.7 -106,-0.5 2,-0.3 -0.653 22.6-162.6 -83.6 139.4 53.3 99.3 62.5 108 108 A S E -b 3 0A 13 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.936 10.4-165.1-127.3 150.2 49.5 98.7 62.6 109 109 A Y E -b 4 0A 63 -106,-2.4 -104,-3.1 -2,-0.3 2,-0.5 -0.961 14.4-137.7-130.1 148.7 46.5 100.6 61.4 110 110 A V E -b 5 0A 7 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.932 10.7-169.3-115.3 125.4 42.8 100.0 62.3 111 111 A I E -b 6 0A 3 -106,-3.2 -104,-2.8 -2,-0.5 -94,-0.1 -0.940 21.7-147.0-111.6 109.3 40.0 100.2 59.9 112 112 A H - 0 0 9 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.178 16.2-174.8 -71.3 165.6 36.7 100.2 61.7 113 113 A A - 0 0 0 -97,-0.1 268,-0.3 266,-0.1 -97,-0.1 -0.936 44.5 -60.4-151.2 166.4 33.4 98.6 60.5 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.294 56.8-159.9 -57.5 136.5 29.8 98.6 61.8 115 115 A S >> - 0 0 0 264,-0.3 4,-2.4 -29,-0.2 3,-1.1 -0.866 29.4-125.8-119.6 152.1 29.6 96.9 65.3 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.3 -1,-0.1 0.849 107.3 71.7 -62.8 -30.9 26.8 95.3 67.2 117 117 A Y H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.830 112.6 25.2 -55.7 -34.2 27.7 97.7 70.0 118 118 A S H X4 S+ 0 0 0 -3,-1.1 3,-2.1 1,-0.1 -1,-0.2 0.722 110.2 71.6-100.4 -27.3 26.3 100.7 68.1 119 119 A A H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.701 76.9 82.4 -61.3 -18.0 23.9 98.7 65.9 120 120 A V G ><>S+ 0 0 0 -4,-1.3 3,-2.2 1,-0.3 5,-0.5 0.695 70.8 82.4 -60.5 -15.1 21.7 98.3 69.1 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-2.1 1,-0.3 -1,-0.3 0.808 74.5 71.0 -58.9 -27.5 20.5 101.7 68.2 122 122 A I G < 5S+ 0 0 6 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.618 84.7 69.6 -66.9 -8.4 18.1 100.1 65.8 123 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.580 111.1-118.6 -82.9 -11.3 16.2 98.8 68.8 124 124 A G T < 5S+ 0 0 2 -3,-2.1 2,-0.4 1,-0.3 125,-0.2 0.361 73.1 130.8 90.3 -7.8 15.0 102.3 69.6 125 125 A L S - 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0 0 2 -9,-2.2 58,-0.6 -2,-0.5 2,-0.2 -0.345 24.4-143.5 -60.2 130.3 23.6 80.7 71.5 177 177 A T > - 0 0 36 1,-0.1 4,-2.0 56,-0.1 5,-0.2 -0.487 24.5-112.1 -89.8 163.9 20.0 81.9 70.8 178 178 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.857 120.0 59.6 -63.7 -31.8 18.2 84.6 72.8 179 179 A N H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.957 105.6 45.3 -60.1 -51.5 15.9 81.7 73.9 180 180 A E H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 111.1 54.0 -60.0 -39.7 18.8 79.8 75.4 181 181 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.899 108.7 49.0 -62.5 -40.9 20.1 83.0 77.1 182 182 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.870 109.7 51.8 -66.6 -37.2 16.7 83.6 78.6 183 183 A E H X S+ 0 0 69 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.942 111.3 47.2 -64.0 -46.9 16.6 80.0 79.9 184 184 A L H X S+ 0 0 19 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.885 111.0 51.9 -61.8 -40.2 20.0 80.3 81.5 185 185 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.855 106.8 52.5 -66.6 -35.8 19.0 83.7 83.1 186 186 A L H X S+ 0 0 30 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.900 108.9 51.2 -66.8 -38.1 15.9 82.2 84.6 187 187 A K H X S+ 0 0 110 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.893 109.0 49.6 -65.1 -39.7 18.0 79.4 86.2 188 188 A V H X S+ 0 0 3 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.870 108.9 54.0 -66.9 -34.8 20.4 82.0 87.6 189 189 A E H X S+ 0 0 23 -4,-1.9 4,-4.2 2,-0.2 -2,-0.2 0.931 105.4 52.3 -63.4 -45.8 17.4 83.9 89.0 190 190 A D H < S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 114.6 44.8 -55.2 -41.8 16.1 80.7 90.8 191 191 A M H < S+ 0 0 147 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.927 127.8 25.0 -68.4 -49.0 19.6 80.4 92.3 192 192 A K H < S- 0 0 81 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.743 79.7-158.5 -91.5 -27.0 20.1 84.0 93.3 193 193 A K < + 0 0 149 -4,-4.2 -3,-0.1 -5,-0.3 -4,-0.1 0.875 40.2 142.8 48.0 46.9 16.4 85.2 93.7 194 194 A G - 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