==== 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 30-JUN-06 2DSG . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,Y.MATSUURA,K.SARABOJI,S.M.MALATHY SONY,M.N.PONNUS . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21530.0 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 . 2 0.4 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 . 69 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 25.0 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 1 3 1 2 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 0 142 0, 0.0 106,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 29.8 56.0 98.1 55.0 2 2 A V E -ab 79 107A 9 76,-1.8 78,-2.8 73,-0.2 2,-0.4 -0.999 360.0-146.7-157.8 153.0 52.6 98.3 56.7 3 3 A L E -ab 80 108A 0 104,-2.4 106,-2.2 -2,-0.3 2,-0.4 -0.987 17.1-161.4-122.9 126.5 49.8 96.2 58.3 4 4 A Y E -ab 81 109A 34 76,-2.8 78,-2.8 -2,-0.4 2,-0.7 -0.908 9.5-154.3-110.0 130.4 46.1 97.2 57.9 5 5 A F E -ab 82 110A 0 104,-3.1 106,-3.2 -2,-0.4 2,-0.5 -0.919 25.5-175.8-100.2 114.1 43.3 96.0 60.3 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.7 -2,-0.7 2,-0.2 -0.948 17.9-143.3-121.8 121.8 40.2 96.3 58.1 7 7 A G E -a 84 0A 0 104,-2.2 10,-0.5 -2,-0.5 80,-0.2 -0.512 2.5-159.6 -78.3 146.4 36.7 95.6 59.3 8 8 A L - 0 0 3 76,-2.8 7,-0.3 78,-0.4 3,-0.2 0.474 39.7-130.9-101.9 -7.5 34.3 93.8 56.9 9 9 A G B -E 86 0B 1 77,-1.8 77,-3.4 75,-0.4 -1,-0.3 -0.311 33.8 -46.4 92.5-173.5 31.1 95.0 58.6 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.2 0.829 110.8 -6.1 -71.4 -45.4 27.9 93.3 59.8 11 11 A Y S S+ 0 0 53 1,-0.3 30,-2.4 199,-0.2 31,-0.3 0.761 111.6 12.4-127.4 -48.5 26.4 91.0 57.2 12 12 A D S > S- 0 0 16 29,-0.2 3,-2.1 28,-0.1 -1,-0.3 -0.774 79.6 -87.1-132.6 178.5 27.9 90.8 53.7 13 13 A E G > S+ 0 0 37 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.695 118.7 63.5 -61.3 -19.9 30.9 91.8 51.6 14 14 A R G 3 S+ 0 0 62 1,-0.2 271,-2.8 270,-0.1 270,-0.3 0.474 81.2 80.9 -85.0 1.0 29.5 95.2 50.8 15 15 A D G < + 0 0 2 -3,-2.1 -1,-0.2 -7,-0.3 -5,-0.2 0.452 69.3 102.5 -83.6 0.0 29.5 96.2 54.5 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.6 97,-0.1 269,-0.3 -0.515 83.5-109.0 -76.4 150.0 33.2 97.1 54.1 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.4 95,-0.4 266,-0.3 -0.467 21.0-116.6 -79.0 157.1 33.8 100.8 53.8 18 18 A V H > S+ 0 0 12 264,-2.5 4,-2.7 262,-0.4 5,-0.3 0.905 118.7 55.3 -57.7 -39.5 34.9 102.2 50.5 19 19 A K H > S+ 0 0 14 261,-2.6 4,-1.9 263,-0.4 -1,-0.2 0.943 108.1 47.1 -58.2 -49.5 38.1 103.2 52.2 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.7 92,-0.2 -1,-0.2 0.887 112.4 49.7 -61.3 -40.8 38.7 99.7 53.4 21 21 A L H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.948 110.1 48.5 -65.3 -48.7 38.0 98.2 50.0 22 22 A E H X S+ 0 0 57 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.863 115.3 46.0 -61.6 -34.7 40.3 100.5 48.0 23 23 A I H >X S+ 0 0 27 -4,-1.9 3,-0.9 -5,-0.3 4,-0.7 0.941 111.5 50.4 -72.9 -46.2 43.1 99.9 50.5 24 24 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.900 104.1 60.5 -56.7 -42.4 42.6 96.1 50.5 25 25 A K H 3< S+ 0 0 86 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.796 107.0 45.6 -56.3 -32.1 42.7 96.1 46.7 26 26 A R H << S+ 0 0 192 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.527 89.0 108.8 -91.5 -6.8 46.3 97.5 46.8 27 27 A C << - 0 0 0 -3,-1.3 53,-0.2 -4,-0.7 3,-0.1 -0.349 62.8-143.3 -71.4 152.0 47.7 95.2 49.4 28 28 A D S S+ 0 0 77 51,-2.3 2,-0.4 1,-0.3 52,-0.2 0.855 86.6 24.0 -81.1 -38.0 50.2 92.5 48.5 29 29 A Y E -c 80 0A 107 50,-1.6 52,-2.2 24,-0.1 2,-0.5 -0.990 67.1-162.4-132.6 139.2 48.9 89.9 51.0 30 30 A V E +cd 81 55A 8 24,-0.6 26,-2.3 -2,-0.4 2,-0.3 -0.979 11.9 174.2-126.8 121.5 45.5 89.6 52.6 31 31 A F E +cd 82 56A 10 50,-3.1 52,-2.8 -2,-0.5 2,-0.3 -0.727 6.0 176.9-115.3 168.7 44.7 87.6 55.7 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.3 50,-0.3 2,-0.4 -0.986 21.3-144.1-166.7 161.3 41.5 87.3 57.7 33 33 A E E - d 0 58A 0 50,-1.8 26,-0.1 -2,-0.3 24,-0.0 -0.980 8.3-177.2-132.3 144.1 39.8 85.6 60.6 34 34 A F + 0 0 57 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.087 63.6 86.7-133.1 36.0 36.1 84.6 60.8 35 35 A Y S S+ 0 0 15 23,-0.2 135,-0.4 1,-0.1 3,-0.1 0.638 74.3 67.0-107.8 -20.3 35.8 83.3 64.3 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.730 118.0 -7.0 -74.3 -21.7 35.1 86.5 66.2 37 37 A S S S- 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.972 71.5-105.2-161.8 172.1 31.7 86.9 64.6 38 38 A L - 0 0 34 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.1 -0.939 12.9-161.8-115.3 124.5 29.4 85.5 61.8 39 39 A M > - 0 0 16 -2,-0.5 3,-0.8 1,-0.1 -28,-0.2 -0.854 14.7-178.1-101.0 95.5 28.8 87.2 58.5 40 40 A A T 3 + 0 0 40 -2,-1.0 -28,-0.1 -30,-0.3 -1,-0.1 0.526 68.7 58.1 -75.5 -7.4 25.6 85.4 57.5 41 41 A G T 3 S+ 0 0 18 -30,-2.4 2,-0.2 -31,-0.1 -1,-0.2 0.244 103.4 35.9-111.1 16.9 25.1 87.1 54.1 42 42 A T < - 0 0 22 -3,-0.8 2,-0.3 -31,-0.3 3,-0.1 -0.805 62.9-131.1-148.2-172.1 28.3 86.4 52.2 43 43 A T > - 0 0 74 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.932 33.9-106.1-143.0 164.6 31.0 83.8 51.5 44 44 A L H > S+ 0 0 66 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.926 120.7 55.4 -58.7 -42.2 34.8 83.8 51.4 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 105.5 48.8 -57.4 -46.0 34.6 83.7 47.6 46 46 A R H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 112.6 49.0 -64.3 -35.9 32.4 86.8 47.3 47 47 A I H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.931 111.5 49.1 -68.6 -44.9 34.8 88.7 49.5 48 48 A Q H X>S+ 0 0 56 -4,-2.8 4,-2.2 1,-0.2 5,-1.1 0.895 110.5 51.9 -60.2 -40.4 37.8 87.5 47.5 49 49 A K H <5S+ 0 0 180 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.953 110.3 47.8 -61.2 -50.5 36.0 88.5 44.3 50 50 A L H <5S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 119.9 36.9 -57.8 -46.4 35.3 92.1 45.6 51 51 A I H <5S- 0 0 4 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.719 100.3-134.6 -81.5 -22.1 38.8 92.7 46.8 52 52 A G T <5 + 0 0 56 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.824 67.6 103.5 72.1 32.0 40.5 90.8 43.9 53 53 A K S - 0 0 38 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.423 35.1 -97.9 -90.1 171.0 42.2 80.2 63.0 60 60 A R H > S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.900 127.5 47.9 -56.7 -40.6 42.0 81.6 66.6 61 61 A E H >>S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 5,-1.1 0.927 106.6 55.5 -66.9 -44.7 45.2 79.7 67.3 62 62 A D H >5S+ 0 0 42 3,-0.2 4,-1.1 2,-0.2 7,-0.2 0.923 118.1 36.1 -52.3 -46.3 47.0 81.0 64.2 63 63 A V H X5S+ 0 0 1 -4,-2.3 4,-1.7 3,-0.2 5,-0.2 0.987 121.5 40.1 -71.7 -63.7 46.2 84.6 65.4 64 64 A E H <5S+ 0 0 70 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.831 131.6 26.7 -59.2 -34.6 46.5 84.4 69.1 65 65 A L H <5S+ 0 0 102 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.2 0.820 136.7 20.5 -98.9 -35.1 49.6 82.2 69.1 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.3 1,-0.3 5,-1.4 0.933 85.6 49.7 -56.4 -44.2 50.1 86.3 64.4 68 68 A E H 345S+ 0 0 77 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.612 115.0 44.3 -70.2 -12.1 53.8 87.5 64.6 69 69 A N H <45S+ 0 0 104 -3,-1.3 -1,-0.2 -7,-0.2 -2,-0.2 0.670 123.9 31.7-103.3 -23.3 55.0 84.4 62.7 70 70 A I H <5S+ 0 0 27 -4,-2.2 4,-0.3 -8,-0.2 -3,-0.2 0.850 132.1 18.5-100.9 -47.3 52.3 84.2 60.0 71 71 A V T >X5S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.4 3,-0.8 0.926 115.9 55.9 -93.2 -56.0 51.3 87.8 59.3 72 72 A L H 3>4 S+ 0 0 57 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.931 108.6 40.6 -55.0 -44.8 56.9 88.7 58.6 74 74 A L H X> S+ 0 0 54 -3,-0.8 3,-1.4 -4,-0.3 4,-1.0 0.812 106.4 64.2 -72.3 -30.6 55.3 89.7 55.3 75 75 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -73,-0.2 0.699 91.5 67.2 -66.3 -18.5 54.2 93.1 56.6 76 76 A K T << S+ 0 0 105 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.733 117.7 20.7 -74.4 -21.5 57.9 94.0 57.0 77 77 A E T <4 S+ 0 0 149 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.311 127.7 34.3-128.1 5.6 58.4 93.9 53.2 78 78 A N S < S- 0 0 40 -4,-1.0 -76,-1.8 -76,-0.1 2,-0.7 -0.903 84.8 -91.1-150.4 175.8 54.9 94.4 51.9 79 79 A D E -a 2 0A 52 -2,-0.3 -51,-2.3 -78,-0.2 -50,-1.6 -0.876 51.2-175.8 -94.9 118.7 51.5 96.0 52.3 80 80 A V E -ac 3 29A 0 -78,-2.8 -76,-2.8 -2,-0.7 2,-0.3 -0.941 13.6-160.3-123.3 143.3 49.4 93.5 54.3 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.1 -2,-0.4 2,-0.5 -0.915 5.9-160.9-120.9 148.1 45.8 93.5 55.4 82 82 A F E -ac 5 31A 0 -78,-2.8 -76,-2.5 -2,-0.3 2,-0.3 -0.977 18.3-158.6-127.7 111.1 44.1 91.5 58.1 83 83 A L E +ac 6 32A 0 -52,-2.8 -50,-1.8 -2,-0.5 -76,-0.2 -0.672 13.4 175.4 -94.8 147.9 40.3 91.4 57.6 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.8 -2,-0.3 -75,-0.4 -0.969 36.4 -95.7-145.1 158.1 37.7 90.7 60.4 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.312 92.2 -10.9 -68.9 162.8 33.9 90.7 60.6 86 86 A G B S-E 9 0B 1 -77,-3.4 -77,-1.8 -79,-0.1 -78,-0.4 -0.136 129.3 -15.0 48.6-137.6 32.3 93.9 61.9 87 87 A D > - 0 0 0 446,-2.4 3,-1.6 -80,-0.2 25,-0.1 -0.867 66.5-134.0 -97.9 129.6 34.8 96.4 63.4 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.725 100.8 42.5 -55.6 -25.1 38.2 94.7 64.1 89 89 A L T 3 S+ 0 0 8 5,-0.1 2,-0.6 444,-0.1 304,-0.3 0.195 88.9 99.8-110.7 16.2 38.6 96.2 67.6 90 90 A V S < S- 0 0 0 -3,-1.6 -3,-0.1 1,-0.2 3,-0.1 -0.908 103.4 -17.6-107.6 118.5 35.1 95.8 69.0 91 91 A A S S+ 0 0 44 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.863 117.0 96.2 58.5 37.0 34.5 92.8 71.3 92 92 A T S S- 0 0 22 -3,-0.2 -1,-0.2 441,-0.1 3,-0.2 -0.836 78.4-126.8-139.5 174.6 37.7 91.1 70.1 93 93 A T S > S+ 0 0 91 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 0.120 75.2 114.2-112.6 19.0 41.2 91.1 71.6 94 94 A H G > + 0 0 1 -6,-0.4 3,-1.7 1,-0.2 4,-0.5 0.713 55.0 79.3 -62.8 -22.8 42.8 92.2 68.3 95 95 A A G > S+ 0 0 18 1,-0.3 3,-1.6 -3,-0.2 4,-0.5 0.869 87.1 59.4 -54.0 -37.2 43.9 95.6 69.7 96 96 A E G X> S+ 0 0 58 -3,-1.2 4,-1.2 1,-0.3 3,-1.0 0.755 90.2 71.0 -64.0 -24.1 46.9 93.8 71.3 97 97 A L H <> S+ 0 0 3 -3,-1.7 4,-1.7 -4,-0.3 -1,-0.3 0.742 87.6 64.7 -65.2 -21.3 48.0 92.7 67.9 98 98 A R H <> S+ 0 0 25 -3,-1.6 4,-2.1 -4,-0.5 -1,-0.3 0.827 99.0 52.9 -70.5 -30.3 48.9 96.3 67.2 99 99 A I H <> S+ 0 0 9 -3,-1.0 4,-2.6 -4,-0.5 -1,-0.2 0.885 106.7 51.4 -71.0 -38.2 51.6 96.0 69.9 100 100 A R H X S+ 0 0 44 -4,-1.2 4,-0.8 1,-0.2 -2,-0.2 0.890 109.4 51.8 -64.6 -37.6 53.0 92.9 68.3 101 101 A A H ><>S+ 0 0 0 -4,-1.7 5,-3.0 2,-0.2 3,-0.8 0.937 109.1 49.7 -63.3 -46.0 53.2 94.9 65.1 102 102 A K H ><5S+ 0 0 100 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.945 109.5 50.3 -58.0 -50.2 55.0 97.7 66.8 103 103 A R H 3<5S+ 0 0 179 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.652 108.6 53.8 -65.0 -14.2 57.6 95.4 68.3 104 104 A A T <<5S- 0 0 24 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.329 119.3-111.3 -99.5 4.4 58.1 93.9 64.9 105 105 A G T < 5S+ 0 0 65 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.722 74.9 135.4 73.4 22.0 58.8 97.3 63.4 106 106 A V < - 0 0 3 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.909 51.1-137.7-108.5 119.3 55.6 97.3 61.4 107 107 A E E -b 2 0A 120 -106,-0.6 -104,-2.4 -2,-0.6 2,-0.4 -0.458 24.3-156.0 -69.7 143.8 53.4 100.4 61.3 108 108 A S E -b 3 0A 15 -106,-0.2 2,-0.3 -2,-0.1 -104,-0.2 -0.954 12.2-169.1-128.2 147.1 49.7 99.5 61.6 109 109 A Y E -b 4 0A 66 -106,-2.2 -104,-3.1 -2,-0.4 2,-0.5 -0.965 13.5-139.9-131.5 148.7 46.5 101.3 60.6 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.925 9.0-168.2-115.4 130.9 42.9 100.7 61.4 111 111 A I E -b 6 0A 3 -106,-3.2 -104,-2.2 -2,-0.5 -94,-0.1 -0.971 21.6-144.1-116.0 115.4 40.0 100.9 59.0 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.213 17.5-175.6 -75.7 167.2 36.6 100.8 60.8 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.945 44.8 -58.7-153.6 165.3 33.4 99.2 59.6 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.244 57.1-158.4 -52.5 134.0 29.8 98.9 60.8 115 115 A S >> - 0 0 0 264,-0.3 4,-2.4 -29,-0.2 3,-1.0 -0.901 27.2-131.6-119.3 147.5 29.7 97.3 64.3 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.833 105.4 71.6 -63.1 -29.2 26.9 95.5 66.1 117 117 A Y H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 46,-0.0 0.846 113.8 22.8 -56.2 -36.6 27.8 97.6 69.1 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-2.0 1,-0.1 -1,-0.2 0.687 109.7 74.9-102.3 -24.1 26.3 100.7 67.3 119 119 A A H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.715 75.7 80.8 -61.1 -19.8 24.0 98.9 64.9 120 120 A V G ><> + 0 0 0 -4,-1.2 3,-2.3 1,-0.3 5,-0.5 0.639 68.6 86.3 -63.3 -8.6 21.7 98.3 67.9 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.802 74.1 71.0 -60.0 -24.9 20.5 101.8 67.3 122 122 A I G < 5S+ 0 0 4 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.639 83.2 69.4 -67.8 -12.3 18.2 100.3 64.8 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.575 111.9-117.9 -80.4 -9.2 16.2 98.8 67.7 124 124 A G T < 5S+ 0 0 3 -3,-1.8 2,-0.3 1,-0.3 125,-0.2 0.367 72.7 131.1 89.8 -7.0 15.1 102.4 68.6 125 125 A L S - 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0 0 8 76,-2.9 7,-0.3 1,-0.3 3,-0.2 0.517 37.8-139.6 -94.6 -7.7 28.3 108.3 55.8 275 9 B G B -R 352 0I 1 77,-1.8 77,-2.8 75,-0.4 -1,-0.3 -0.378 35.3 -39.2 87.5-163.1 30.7 107.0 58.5 276 10 B L S S- 0 0 23 5,-0.2 30,-0.3 75,-0.2 -1,-0.2 0.857 107.8 -15.0 -76.2 -47.9 33.4 108.7 60.5 277 11 B Y S S+ 0 0 38 1,-0.3 30,-2.2 -3,-0.2 31,-0.3 0.721 106.7 18.7-132.7 -54.2 35.5 111.3 58.7 278 12 B D S > S- 0 0 22 29,-0.2 3,-1.9 28,-0.1 -1,-0.3 -0.618 83.0 -83.1-123.0-176.5 35.6 111.5 54.9 279 13 B E G > S+ 0 0 42 1,-0.3 3,-0.6 28,-0.2 -261,-0.1 0.657 120.3 60.8 -63.8 -15.3 33.7 110.6 51.8 280 14 B R G 3 S+ 0 0 106 1,-0.2 -261,-2.6 -262,-0.1 -262,-0.4 0.403 81.7 82.4 -93.0 5.5 35.2 107.1 51.7 281 15 B D G < + 0 0 6 -3,-1.9 -5,-0.2 -7,-0.3 -1,-0.2 0.462 67.9 98.3 -87.4 -0.6 33.8 106.1 55.1 282 16 B I S < S- 0 0 2 -3,-0.6 -264,-2.5 -4,-0.1 -263,-0.4 -0.501 84.9-108.1 -77.6 154.6 30.4 105.2 53.6 283 17 B T B > -F 17 0C 0 -10,-0.5 4,-2.5 95,-0.3 -266,-0.3 -0.476 20.1-113.6 -84.6 161.9 30.1 101.4 53.0 284 18 B V H > S+ 0 0 8 -268,-2.6 4,-2.4 -270,-0.3 5,-0.2 0.893 120.6 53.6 -58.0 -39.5 30.2 99.9 49.6 285 19 B K H > S+ 0 0 1 -271,-2.8 4,-2.0 -269,-0.3 -1,-0.2 0.927 109.0 47.6 -61.2 -46.7 26.6 98.9 50.1 286 20 B G H > S+ 0 0 0 -272,-0.3 4,-2.7 92,-0.2 -2,-0.2 0.899 112.2 49.3 -62.7 -41.9 25.6 102.5 51.0 287 21 B L H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.951 111.4 47.6 -63.0 -50.7 27.4 103.9 48.0 288 22 B E H X S+ 0 0 90 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.872 115.5 45.2 -60.6 -38.8 25.9 101.5 45.5 289 23 B I H >< S+ 0 0 2 -4,-2.0 3,-0.6 -5,-0.2 4,-0.3 0.928 111.7 51.6 -71.3 -44.2 22.4 102.1 46.9 290 24 B A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.890 106.4 56.5 -58.6 -39.3 22.8 105.8 47.0 291 25 B K H 3< S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 108.2 46.1 -63.6 -31.7 23.9 105.8 43.4 292 26 B R T << S+ 0 0 125 -4,-1.0 2,-0.3 -3,-0.6 -1,-0.3 0.322 89.8 108.0 -95.3 9.4 20.7 104.1 42.2 293 27 B C < - 0 0 0 -3,-1.3 53,-0.2 -4,-0.3 3,-0.1 -0.643 65.6-141.9 -86.9 144.5 18.4 106.4 44.2 294 28 B D S S+ 0 0 83 51,-1.8 2,-0.4 -2,-0.3 52,-0.2 0.846 87.9 22.2 -71.7 -35.2 16.3 108.9 42.3 295 29 B Y E -p 346 0H 106 50,-1.4 52,-2.3 24,-0.1 2,-0.4 -0.987 68.1-159.7-135.3 143.2 16.7 111.5 45.0 296 30 B V E +pq 347 321H 6 24,-0.6 26,-2.3 -2,-0.4 2,-0.3 -0.979 10.9 178.8-129.8 122.0 19.4 112.0 47.7 297 31 B F E -pq 348 322H 7 50,-3.5 52,-3.1 -2,-0.4 2,-0.3 -0.739 4.3-174.7-112.7 165.0 19.0 114.0 50.8 298 32 B A E -pq 349 323H 0 24,-1.8 26,-2.7 -2,-0.3 2,-0.4 -0.988 14.2-150.3-157.9 154.8 21.4 114.5 53.7 299 33 B E E + q 0 324H 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.984 11.0 178.5-129.9 140.4 21.6 116.2 57.1 300 34 B F + 0 0 30 24,-0.6 26,-0.1 -2,-0.4 5,-0.1 -0.252 62.3 88.2-134.0 45.0 24.7 117.6 58.8 301 35 B Y S S+ 0 0 10 23,-0.1 135,-0.3 24,-0.1 136,-0.1 0.609 80.1 57.8-114.2 -22.7 23.3 118.9 62.0 302 36 B T S S- 0 0 37 1,-0.3 2,-0.3 134,-0.1 -2,-0.1 0.757 132.2 -35.0 -77.1 -23.6 23.6 115.8 64.2 303 37 B S - 0 0 51 54,-0.0 -1,-0.3 49,-0.0 2,-0.3 -0.958 66.0-108.5-178.1 178.1 27.3 115.9 63.4 304 38 B L - 0 0 12 -2,-0.3 2,-0.7 -3,-0.1 3,-0.1 -0.771 15.7-127.1-123.8 168.0 29.7 116.8 60.6 305 39 B M > - 0 0 14 -2,-0.3 3,-1.4 1,-0.1 -28,-0.1 -0.821 30.8-178.5-114.6 85.4 32.1 115.1 58.2 306 40 B A T 3 S+ 0 0 38 -2,-0.7 -28,-0.1 -30,-0.3 -1,-0.1 0.686 71.6 57.6 -60.6 -25.1 35.3 117.0 59.0 307 41 B G T 3 S+ 0 0 21 -30,-2.2 -1,-0.3 -3,-0.1 -28,-0.2 0.282 112.6 24.6 -94.4 13.2 37.5 115.2 56.5 308 42 B T S < S- 0 0 16 -3,-1.4 2,-0.3 -31,-0.3 -3,-0.1 -0.819 71.6-119.1-153.3-169.7 35.5 115.9 53.3 309 43 B T > - 0 0 74 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.919 31.7-106.4-139.2 165.4 33.0 118.4 51.8 310 44 B L H > S+ 0 0 66 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.898 121.3 55.7 -58.4 -39.1 29.5 118.2 50.4 311 45 B G H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 106.8 47.4 -61.5 -41.0 31.1 118.6 46.9 312 46 B R H > S+ 0 0 153 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.853 112.4 49.6 -70.6 -33.5 33.4 115.5 47.4 313 47 B I H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.926 111.0 50.2 -70.1 -42.8 30.5 113.4 48.7 314 48 B Q H X>S+ 0 0 42 -4,-2.6 4,-2.9 1,-0.2 5,-1.0 0.911 109.5 50.8 -60.3 -44.2 28.3 114.5 45.7 315 49 B K H <5S+ 0 0 172 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.847 110.9 49.1 -63.4 -35.3 31.1 113.6 43.2 316 50 B L H <5S+ 0 0 44 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.930 118.1 38.5 -69.7 -45.6 31.5 110.2 44.8 317 51 B I H <5S- 0 0 4 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.799 98.3-140.0 -74.6 -30.3 27.7 109.4 44.7 318 52 B G T <5 + 0 0 60 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.776 65.7 106.6 74.0 26.4 27.3 111.1 41.3 319 53 B K S - 0 0 57 -2,-0.4 4,-2.1 -26,-0.1 5,-0.2 -0.304 35.5 -98.1 -84.1 173.3 18.4 121.6 58.3 326 60 B R H > S+ 0 0 105 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.904 127.8 48.5 -59.5 -40.5 17.3 120.4 61.7 327 61 B E H >>S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 5,-1.3 0.911 105.5 57.1 -66.9 -41.4 14.0 122.1 61.2 328 62 B D H >5S+ 0 0 38 3,-0.2 4,-0.7 2,-0.2 7,-0.2 0.925 118.8 33.2 -53.6 -45.4 13.6 120.7 57.7 329 63 B V H X5S+ 0 0 2 -4,-2.1 4,-1.7 3,-0.2 5,-0.2 0.980 122.4 41.6 -76.3 -61.3 13.8 117.2 59.3 330 64 B E H <5S+ 0 0 80 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.868 131.2 25.6 -58.1 -38.8 12.2 117.6 62.7 331 65 B L H <5S+ 0 0 98 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.875 136.7 21.2 -94.0 -41.3 9.4 119.7 61.5 332 66 B N H >XS+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 5,-1.6 0.906 82.3 52.4 -54.8 -42.7 10.5 115.4 57.1 334 68 B E H 345S+ 0 0 81 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.616 114.4 42.1 -70.5 -12.4 7.1 114.1 55.9 335 69 B N H <45S+ 0 0 109 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.649 123.3 33.8-105.7 -21.1 6.6 117.0 53.5 336 70 B I H <5S+ 0 0 26 -4,-2.0 4,-0.3 -8,-0.2 -3,-0.2 0.858 131.8 17.3-100.0 -48.6 10.1 117.2 52.0 337 71 B V T X5S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 3,-0.5 0.915 117.1 55.2 -93.8 -52.1 11.4 113.7 51.9 338 72 B L H > S+ 0 0 67 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.942 110.9 39.3 -55.9 -46.8 6.5 112.5 49.3 340 74 B L H >> S+ 0 0 54 -3,-0.5 4,-1.2 -4,-0.3 3,-0.9 0.854 111.6 57.2 -70.2 -35.4 9.3 111.6 46.8 341 75 B A H 3< S+ 0 0 0 -4,-1.8 -73,-0.3 1,-0.2 -1,-0.2 0.752 95.7 68.7 -67.0 -22.4 10.0 108.4 48.6 342 76 B K H 3< S+ 0 0 89 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.845 118.7 17.0 -65.0 -34.4 6.4 107.5 48.0 343 77 B E H << S+ 0 0 156 -3,-0.9 2,-0.3 -4,-0.6 -2,-0.2 0.328 129.0 39.5-121.8 6.6 7.0 107.1 44.3 344 78 B N S < S- 0 0 44 -4,-1.2 -76,-1.2 -5,-0.1 2,-0.7 -0.887 87.2 -92.4-145.3 173.8 10.8 106.9 44.0 345 79 B D E -n 268 0H 46 -2,-0.3 -51,-1.8 -78,-0.2 -50,-1.4 -0.858 51.0-171.6 -92.4 118.5 13.8 105.3 45.7 346 80 B V E -np 269 295H 0 -78,-3.0 -76,-3.4 -2,-0.7 2,-0.4 -0.917 14.1-154.8-119.7 142.6 15.1 108.0 48.1 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.5 -2,-0.4 2,-0.5 -0.897 3.3-165.5-114.7 141.7 18.3 108.2 50.2 348 82 B F E -np 271 297H 0 -78,-3.1 -76,-2.3 -2,-0.4 2,-0.3 -0.943 16.4-157.0-126.6 105.0 18.8 110.1 53.4 349 83 B L E +np 272 298H 0 -52,-3.1 -50,-1.9 -2,-0.5 -76,-0.2 -0.642 14.2 176.5 -86.4 139.5 22.5 110.4 54.3 350 84 B T E -n 273 0H 0 -78,-2.0 -76,-2.9 -2,-0.3 -75,-0.4 -0.993 35.4-102.5-140.7 145.7 23.6 111.0 57.8 351 85 B P S S- 0 0 11 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.307 89.1 -4.7 -63.3 152.5 27.1 111.2 59.4 352 86 B G B S-R 275 0I 15 -77,-2.8 -77,-1.8 -79,-0.1 29,-0.2 -0.356 122.0 -16.9 68.8-140.5 28.2 108.1 61.2 353 87 B D S > S- 0 0 4 -80,-0.2 3,-1.6 -79,-0.1 4,-0.5 -0.888 77.1-110.3-104.2 128.5 25.8 105.2 61.7 354 88 B P T 3 S+ 0 0 0 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.271 98.9 20.2 -59.4 146.1 22.1 105.9 61.1 355 89 B L T 3 S+ 0 0 5 2,-0.1 -228,-0.3 1,-0.1 6,-0.2 0.473 90.7 102.2 74.3 5.4 19.9 105.9 64.3 356 90 B V < + 0 0 22 -3,-1.6 -229,-0.5 -230,-0.1 -228,-0.3 0.901 69.0 76.2 -78.7 -43.3 22.8 106.4 66.7 357 91 B A S >> S- 0 0 30 -4,-0.5 3,-1.0 1,-0.1 4,-0.5 -0.469 95.3-128.1 -62.4 132.6 21.7 110.0 66.9 358 92 B T T 34 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.797 100.2 54.7 -58.0 -34.8 18.6 109.8 69.1 359 93 B T T 3> S+ 0 0 51 1,-0.2 4,-0.6 2,-0.1 3,-0.3 0.693 91.2 74.4 -76.3 -18.6 16.1 111.7 66.9 360 94 B H H X> S+ 0 0 1 -3,-1.0 3,-1.4 1,-0.2 4,-0.5 0.884 83.6 63.9 -61.1 -44.9 16.7 109.5 63.8 361 95 B A H >X S+ 0 0 8 -4,-0.5 3,-2.0 -3,-0.3 4,-0.6 0.883 95.7 58.7 -47.7 -48.2 14.7 106.4 64.9 362 96 B E H >> S+ 0 0 57 -4,-0.4 4,-1.7 1,-0.3 3,-0.9 0.793 92.5 68.9 -55.0 -30.8 11.4 108.3 65.0 363 97 B L H <>S+ 0 0 0 -4,-1.8 5,-2.8 2,-0.2 3,-0.6 0.941 108.7 51.0 -61.1 -48.5 7.9 106.7 57.0 368 102 B K H ><5S+ 0 0 100 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.930 109.9 49.4 -54.8 -49.1 5.6 103.8 58.1 369 103 B R H 3<5S+ 0 0 174 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.744 108.1 53.6 -65.3 -23.1 2.7 106.1 58.6 370 104 B A T <<5S- 0 0 37 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.442 119.8-111.1 -89.2 -0.6 3.2 107.7 55.2 371 105 B G T < 5S+ 0 0 36 -3,-1.6 2,-0.4 -4,-0.4 -3,-0.2 0.774 73.7 136.7 77.0 27.3 3.1 104.2 53.7 372 106 B V < - 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