==== 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 26-MAR-07 2EL0 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.ASADA,Y.MATSUURA,N.ONO,H.SHIMADA,N.KUNISHIMA,RIKEN STRUCTU . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21577.0 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 . 57 10.7 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 . 67 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 23.9 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 8 1 0 1 4 2 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 3 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 0 139 0, 0.0 106,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 1.9 56.3 98.4 56.1 2 2 A V E -ab 79 107A 9 76,-1.1 78,-2.9 104,-0.2 2,-0.4 -0.970 360.0-153.8-139.1 150.1 52.7 98.7 57.3 3 3 A L E -ab 80 108A 0 104,-2.5 106,-2.2 -2,-0.3 2,-0.5 -0.982 13.8-160.5-121.3 127.9 49.9 96.7 58.9 4 4 A Y E -ab 81 109A 34 76,-2.5 78,-3.1 -2,-0.4 2,-0.8 -0.922 9.1-154.4-110.9 129.3 46.3 97.7 58.4 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.3 -2,-0.5 2,-0.5 -0.911 25.3-174.5 -99.0 113.0 43.5 96.5 60.7 6 6 A I E -ab 83 111A 0 76,-2.5 78,-1.8 -2,-0.8 2,-0.2 -0.942 17.6-142.0-118.4 122.4 40.4 96.7 58.5 7 7 A G E -a 84 0A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.538 4.2-161.1 -78.2 143.3 36.8 96.1 59.6 8 8 A L - 0 0 3 76,-2.8 7,-0.3 1,-0.3 3,-0.2 0.542 39.8-128.7 -99.5 -10.9 34.5 94.3 57.2 9 9 A G B -E 86 0B 1 77,-1.4 77,-3.3 75,-0.4 -1,-0.3 -0.384 31.6 -48.7 99.5-175.3 31.3 95.3 58.8 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.884 110.6 -9.1 -70.7 -50.0 28.0 93.8 60.1 11 11 A Y S S+ 0 0 53 1,-0.3 30,-2.0 199,-0.2 31,-0.3 0.761 113.0 16.5-125.2 -53.7 26.6 91.5 57.5 12 12 A D S > S- 0 0 17 29,-0.2 3,-2.0 198,-0.2 -1,-0.3 -0.733 78.8 -91.4-125.7 177.8 28.0 91.3 54.0 13 13 A E G > S+ 0 0 35 1,-0.3 3,-1.1 -2,-0.2 271,-0.2 0.730 118.0 63.5 -60.9 -25.3 31.1 92.3 52.0 14 14 A R G 3 S+ 0 0 62 1,-0.2 271,-2.6 270,-0.1 270,-0.5 0.514 82.6 80.5 -78.8 -2.5 29.7 95.7 51.0 15 15 A D G < + 0 0 2 -3,-2.0 -1,-0.2 -7,-0.3 -5,-0.2 0.509 69.9 101.0 -80.3 -4.4 29.6 96.7 54.7 16 16 A I S < S- 0 0 2 -3,-1.1 268,-2.4 97,-0.1 269,-0.4 -0.419 84.5-107.1 -72.5 156.2 33.3 97.5 54.5 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.5 95,-0.3 266,-0.3 -0.566 20.7-117.7 -84.9 155.5 34.1 101.2 54.2 18 18 A V H > S+ 0 0 1 264,-2.5 4,-2.9 1,-0.2 5,-0.2 0.894 118.6 55.0 -56.2 -39.1 35.2 102.6 50.8 19 19 A K H > S+ 0 0 2 261,-2.5 4,-2.3 263,-0.3 5,-0.2 0.957 108.2 47.4 -57.9 -51.6 38.4 103.6 52.6 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.2 92,-0.2 -1,-0.2 0.863 112.7 49.5 -59.4 -38.0 38.9 100.1 53.8 21 21 A M H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.955 110.3 48.5 -67.1 -49.1 38.3 98.7 50.3 22 22 A E H X S+ 0 0 78 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.875 114.7 46.2 -58.9 -40.5 40.7 101.1 48.5 23 23 A I H >< S+ 0 0 19 -4,-2.3 3,-1.0 -5,-0.2 4,-0.3 0.919 111.9 50.0 -69.6 -43.3 43.4 100.3 51.0 24 24 A A H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.901 102.5 62.7 -61.5 -40.8 42.9 96.5 50.9 25 25 A K H 3< S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.756 107.9 43.0 -56.6 -26.3 43.0 96.6 47.1 26 26 A K T << S+ 0 0 174 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.342 87.9 111.8-104.0 5.8 46.6 97.9 47.2 27 27 A C < - 0 0 0 -3,-1.7 53,-0.2 -4,-0.3 3,-0.1 -0.487 60.9-143.5 -79.3 151.8 48.0 95.6 49.9 28 28 A D S S+ 0 0 85 51,-2.6 2,-0.4 1,-0.3 52,-0.2 0.829 87.0 21.2 -81.6 -34.5 50.5 93.0 49.1 29 29 A Y E -c 80 0A 112 50,-1.5 52,-2.3 24,-0.1 2,-0.5 -0.999 67.4-161.4-137.8 137.8 49.2 90.4 51.5 30 30 A V E +cd 81 55A 7 24,-0.6 26,-2.1 -2,-0.4 2,-0.3 -0.972 10.0 179.7-125.7 120.6 45.7 90.2 53.1 31 31 A F E +cd 82 56A 9 50,-3.3 52,-3.0 -2,-0.5 2,-0.3 -0.728 7.0 178.6-110.6 163.4 45.0 88.1 56.3 32 32 A A E -cd 83 57A 0 24,-1.9 26,-3.1 50,-0.3 2,-0.4 -0.989 20.0-149.0-159.8 163.8 41.7 87.7 58.1 33 33 A E E - d 0 58A 0 50,-1.8 26,-0.1 -2,-0.3 24,-0.0 -0.995 7.7-178.0-138.8 139.9 39.8 86.1 60.9 34 34 A F + 0 0 61 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.243 64.2 86.7-131.1 43.9 36.2 85.1 61.1 35 35 A Y S S+ 0 0 16 23,-0.1 135,-0.4 3,-0.1 3,-0.1 0.582 74.8 64.6-116.7 -17.3 36.0 83.7 64.7 36 36 A T S S- 0 0 14 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.674 119.1 -7.8 -80.5 -16.3 35.2 86.9 66.7 37 37 A S S S- 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.976 70.5-104.2-165.7 174.1 31.8 87.3 64.9 38 38 A L - 0 0 35 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.950 11.2-164.1-120.0 125.6 29.6 86.1 62.1 39 39 A M > - 0 0 15 -2,-0.5 3,-1.0 1,-0.1 -28,-0.2 -0.834 14.7-177.8-104.0 91.3 28.9 87.8 58.8 40 40 A A T 3 + 0 0 40 -2,-1.0 -1,-0.1 -30,-0.3 -28,-0.1 0.563 69.3 59.3 -68.4 -12.3 25.8 85.9 57.7 41 41 A G T 3 S+ 0 0 20 -30,-2.0 -1,-0.2 -31,-0.1 2,-0.2 0.286 102.9 36.3-106.0 14.5 25.4 87.6 54.4 42 42 A T < - 0 0 22 -3,-1.0 2,-0.3 -31,-0.3 -3,-0.1 -0.792 61.3-133.0-146.6-172.3 28.6 86.9 52.5 43 43 A T > - 0 0 75 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.930 35.7-104.7-143.3 164.6 31.4 84.4 51.8 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.900 119.8 58.2 -58.3 -40.1 35.2 84.5 51.6 45 45 A G H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 105.3 46.7 -57.5 -44.4 34.9 84.4 47.9 46 46 A R H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 112.5 49.7 -68.0 -38.2 32.8 87.5 47.6 47 47 A I H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.942 111.8 49.9 -64.7 -45.1 35.0 89.4 50.0 48 48 A Q H X>S+ 0 0 54 -4,-2.8 5,-1.3 1,-0.2 4,-1.2 0.908 110.6 49.6 -58.4 -43.2 38.0 88.3 47.9 49 49 A K H <5S+ 0 0 181 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 107.4 55.0 -64.7 -39.5 36.3 89.4 44.7 50 50 A L H <5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.903 121.2 28.1 -61.7 -43.9 35.5 92.8 46.1 51 51 A I H <5S- 0 0 3 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.451 102.1-131.2 -97.6 -1.4 39.1 93.6 47.0 52 52 A G T <5 + 0 0 58 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.912 66.3 112.9 52.3 51.0 40.6 91.5 44.3 53 53 A K S - 0 0 37 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.461 35.3 -99.3 -93.1 172.1 42.3 80.7 63.5 60 60 A R H > S+ 0 0 109 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.871 126.2 50.4 -59.7 -36.5 42.1 82.1 67.0 61 61 A E H >>S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 5,-1.0 0.923 106.3 54.0 -68.6 -43.1 45.3 80.2 67.9 62 62 A D H >5S+ 0 0 42 3,-0.2 4,-0.9 2,-0.2 7,-0.2 0.920 118.3 37.0 -55.5 -44.2 47.1 81.5 64.8 63 63 A V H X5S+ 0 0 2 -4,-2.2 4,-1.3 3,-0.2 -2,-0.2 0.980 120.4 42.4 -72.6 -59.8 46.3 85.1 65.9 64 64 A E H <5S+ 0 0 72 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.800 130.8 22.7 -61.7 -32.3 46.6 84.8 69.7 65 65 A L H <5S+ 0 0 106 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.784 134.9 25.8-105.5 -33.3 49.8 82.8 69.7 66 66 A N H >XS+ 0 0 0 -4,-1.3 4,-2.4 1,-0.3 5,-1.6 0.926 84.3 50.2 -57.6 -45.2 50.4 86.7 65.0 68 68 A E H 345S+ 0 0 77 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.527 115.8 43.9 -71.4 -5.7 54.0 88.0 65.2 69 69 A N H <45S+ 0 0 102 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.618 123.6 31.6-110.2 -22.4 55.2 84.9 63.4 70 70 A I H <5S+ 0 0 30 -4,-2.1 4,-0.3 -8,-0.2 -3,-0.2 0.830 133.5 16.4-102.5 -44.3 52.6 84.7 60.7 71 71 A V T >X5S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.3 3,-1.0 0.909 116.5 55.9 -97.6 -57.4 51.6 88.3 59.9 72 72 A L H 3>4 S+ 0 0 54 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.927 108.0 42.8 -56.5 -42.3 57.1 89.3 59.5 74 74 A L H X> S+ 0 0 55 -3,-1.0 4,-1.2 -4,-0.3 3,-0.8 0.769 103.8 65.6 -73.4 -26.7 55.5 90.2 56.1 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 32,-0.2 0.607 91.0 67.0 -72.1 -10.0 54.5 93.6 57.3 76 76 A K T << S+ 0 0 108 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.802 116.8 21.2 -79.9 -28.9 58.1 94.5 57.6 77 77 A E T <4 S+ 0 0 153 -3,-0.8 2,-0.3 -4,-0.4 -2,-0.2 0.384 127.1 38.0-118.1 0.6 58.7 94.4 53.9 78 78 A N S < S- 0 0 41 -4,-1.2 -76,-1.1 -76,-0.1 2,-0.7 -0.915 83.1 -96.2-146.5 171.2 55.2 94.8 52.5 79 79 A D E -a 2 0A 57 -2,-0.3 -51,-2.6 -78,-0.2 -50,-1.5 -0.840 51.7-176.7 -90.4 114.0 51.8 96.5 52.9 80 80 A V E -ac 3 29A 0 -78,-2.9 -76,-2.5 -2,-0.7 2,-0.3 -0.912 14.5-159.1-119.7 145.7 49.7 94.0 54.8 81 81 A A E -ac 4 30A 0 -52,-2.3 -50,-3.3 -2,-0.4 2,-0.5 -0.913 5.4-160.6-122.3 148.2 46.1 94.0 55.9 82 82 A F E -ac 5 31A 0 -78,-3.1 -76,-2.5 -2,-0.3 2,-0.3 -0.977 17.7-158.3-128.2 112.6 44.3 92.1 58.6 83 83 A L E +ac 6 32A 0 -52,-3.0 -50,-1.8 -2,-0.5 -76,-0.2 -0.727 14.8 171.7 -98.0 144.3 40.5 91.9 58.1 84 84 A T E -a 7 0A 0 -78,-1.8 -76,-2.8 -2,-0.3 -75,-0.4 -0.959 37.3 -94.2-143.8 158.2 37.9 91.2 60.8 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.294 90.8 -12.0 -69.8 161.5 34.1 91.3 61.0 86 86 A G B S-E 9 0B 1 -77,-3.3 -77,-1.4 -79,-0.1 -78,-0.2 -0.160 130.7 -13.9 47.8-134.0 32.4 94.5 62.3 87 87 A D > - 0 0 0 446,-2.3 3,-1.5 -80,-0.2 25,-0.1 -0.873 66.6-135.7 -99.9 131.1 35.0 96.8 63.8 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.718 100.2 43.0 -57.6 -24.7 38.3 95.2 64.5 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 304,-0.3 0.176 89.6 98.8-111.5 18.8 38.7 96.7 68.0 90 90 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 1,-0.2 3,-0.1 -0.922 103.1 -16.1-110.5 120.2 35.2 96.3 69.4 91 91 A A S S+ 0 0 44 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.863 118.3 92.6 58.1 36.7 34.5 93.3 71.7 92 92 A T S S- 0 0 23 -3,-0.2 -1,-0.2 441,-0.1 3,-0.2 -0.826 80.0-125.1-141.1 177.6 37.7 91.6 70.6 93 93 A T S > S+ 0 0 89 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 0.085 74.2 115.8-116.1 22.7 41.3 91.6 72.0 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.4 1,-0.2 4,-0.5 0.701 55.9 78.2 -64.7 -21.8 42.8 92.7 68.7 95 95 A A H >> S+ 0 0 18 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.878 87.1 60.3 -54.9 -38.9 44.0 96.1 70.2 96 96 A E H X> S+ 0 0 59 -3,-1.1 4,-1.4 1,-0.3 3,-0.9 0.777 91.1 68.9 -60.5 -27.4 46.9 94.2 71.9 97 97 A L H <> S+ 0 0 2 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.3 0.767 90.3 61.9 -64.2 -24.1 48.0 93.2 68.4 98 98 A R H S+ 0 0 0 -4,-1.9 5,-3.3 2,-0.2 3,-0.5 0.921 110.1 48.9 -64.4 -41.9 53.2 95.4 65.7 102 102 A K H ><5S+ 0 0 98 -4,-2.0 3,-3.0 1,-0.2 -2,-0.2 0.967 108.6 51.0 -61.1 -54.2 55.0 98.2 67.5 103 103 A R H 3<5S+ 0 0 163 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.681 109.7 52.7 -59.2 -16.3 57.5 96.0 69.2 104 104 A A T 3<5S- 0 0 28 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.317 120.5-111.5 -99.4 5.8 58.2 94.4 65.8 105 105 A G T < 5S+ 0 0 67 -3,-3.0 2,-0.5 1,-0.2 -3,-0.2 0.831 73.1 138.0 69.0 31.6 58.9 97.8 64.4 106 106 A V < - 0 0 3 -5,-3.3 -1,-0.2 -6,-0.1 2,-0.2 -0.950 49.2-137.8-114.0 122.4 55.7 97.7 62.2 107 107 A E E -b 2 0A 122 -106,-1.1 -104,-2.5 -2,-0.5 2,-0.3 -0.559 25.5-162.8 -75.0 139.7 53.5 100.8 61.9 108 108 A S E -b 3 0A 13 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.929 11.6-166.6-128.5 152.5 49.8 100.0 62.1 109 109 A Y E -b 4 0A 61 -106,-2.2 -104,-3.0 -2,-0.3 2,-0.5 -0.956 14.5-136.7-133.8 153.0 46.7 101.8 61.1 110 110 A V E -b 5 0A 9 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.947 10.0-167.4-117.6 126.4 43.0 101.1 61.9 111 111 A I E -b 6 0A 4 -106,-3.3 -104,-2.3 -2,-0.5 -94,-0.1 -0.946 21.9-143.2-111.8 113.0 40.2 101.4 59.4 112 112 A H - 0 0 8 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.155 18.0-175.0 -72.6 167.7 36.8 101.3 61.1 113 113 A A - 0 0 0 -97,-0.1 268,-0.2 268,-0.1 -97,-0.1 -0.970 43.4 -63.6-155.9 159.0 33.6 99.7 60.0 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.230 57.4-159.6 -52.1 132.2 30.0 99.5 61.1 115 115 A S >> - 0 0 0 264,-0.3 4,-2.4 -29,-0.2 3,-0.9 -0.850 29.6-127.0-118.2 152.5 29.8 97.8 64.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.820 107.4 69.5 -65.0 -28.2 27.0 96.0 66.4 117 117 A Y H 34 S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.849 114.0 25.0 -59.7 -34.5 27.8 98.3 69.3 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-2.0 1,-0.1 -2,-0.2 0.716 109.8 72.4-101.0 -25.6 26.4 101.3 67.4 119 119 A A H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.674 76.9 81.1 -62.9 -17.2 24.1 99.5 65.1 120 120 A V G ><> + 0 0 1 -4,-1.0 3,-2.4 1,-0.3 5,-0.5 0.681 69.9 85.2 -63.3 -13.2 21.8 98.9 68.2 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.794 74.3 70.3 -57.5 -26.0 20.7 102.4 67.4 122 122 A I G < 5S+ 0 0 4 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.635 83.7 69.7 -68.1 -12.4 18.3 100.8 65.0 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.567 112.4-117.5 -80.5 -8.8 16.3 99.4 67.9 124 124 A G T < 5S+ 0 0 4 -3,-1.8 2,-0.2 1,-0.3 125,-0.2 0.352 71.5 133.5 89.6 -6.8 15.2 103.0 68.7 125 125 A L < - 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0 0 2 -9,-2.1 58,-0.6 -2,-0.5 2,-0.2 -0.372 22.8-145.9 -62.5 129.2 24.2 81.5 70.4 177 177 A T > - 0 0 34 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.532 24.4-113.0 -91.7 162.9 20.6 82.6 69.7 178 178 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.809 118.8 59.0 -63.2 -29.3 18.7 85.2 71.7 179 179 A N H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 106.6 44.9 -65.5 -47.5 16.4 82.3 72.7 180 180 A E H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.895 111.7 53.9 -62.9 -39.8 19.3 80.3 74.2 181 181 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.904 109.4 47.8 -61.1 -42.7 20.6 83.5 75.9 182 182 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.911 109.1 53.4 -64.9 -42.5 17.2 84.0 77.5 183 183 A E H X S+ 0 0 82 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.941 111.0 46.8 -57.2 -47.9 17.0 80.4 78.7 184 184 A L H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.885 110.1 53.0 -61.4 -41.5 20.4 80.8 80.4 185 185 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.899 107.3 51.1 -62.6 -41.7 19.4 84.1 82.0 186 186 A L H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.898 109.3 51.5 -63.3 -39.1 16.2 82.5 83.5 187 187 A K H X S+ 0 0 115 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.939 109.8 48.4 -62.9 -45.3 18.3 79.7 84.9 188 188 A V H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.851 108.0 56.9 -62.8 -32.8 20.7 82.2 86.5 189 189 A E H X S+ 0 0 21 -4,-2.0 4,-2.9 1,-0.2 6,-0.2 0.901 102.8 53.5 -65.1 -40.6 17.7 84.0 87.9 190 190 A D H < S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 113.7 43.9 -63.1 -33.0 16.5 80.8 89.6 191 191 A M H < S+ 0 0 160 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.929 126.2 27.7 -77.6 -48.2 19.9 80.6 91.3 192 192 A K H < S- 0 0 96 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.751 83.8-159.2 -87.0 -25.9 20.5 84.2 92.3 193 193 A K < + 0 0 150 -4,-2.9 -3,-0.1 -5,-0.4 -4,-0.1 0.889 39.6 141.3 47.2 52.9 16.8 85.2 92.7 194 194 A G - 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