==== 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 19-MAY-08 2VU2 . COMPND 2 MOLECULE: ACETYL-COA ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOOGLOEA RAMIGERA; . AUTHOR P.KURSULA,G.MERILAINEN,W.SCHMITZ,R.K.WIERENGA . 1556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1123 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 241 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 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 . 97 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 441 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.6 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 5 3 5 2 4 0 0 9 3 0 4 0 6 0 0 2 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 4 8 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 PARALLEL BRIDGES PER LADDER . 10 10 11 0 0 0 5 11 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 . 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 4 A S 0 0 97 0, 0.0 257,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -61.5 30.7 -4.4 -16.0 2 5 A I E -A 257 0A 8 270,-0.4 270,-2.1 255,-0.3 2,-0.3 -0.936 360.0-174.7-116.4 140.2 31.5 -3.9 -12.3 3 6 A V E -AB 256 271A 0 253,-2.7 253,-1.3 -2,-0.4 2,-0.8 -0.792 33.3-117.5-128.1 162.0 34.5 -5.4 -10.6 4 7 A I E -AB 255 270A 0 266,-3.4 265,-1.6 -2,-0.3 266,-1.2 -0.898 29.2-178.1 -96.5 100.6 36.2 -5.7 -7.2 5 8 A A E - 0 0 6 249,-1.9 2,-0.3 -2,-0.8 -1,-0.1 0.841 67.1 -5.7 -63.6 -40.2 39.6 -3.9 -7.7 6 9 A S E -A 254 0A 4 248,-0.9 248,-2.2 -3,-0.1 2,-0.3 -0.982 61.5-165.3-152.0 164.7 40.8 -4.7 -4.2 7 10 A A E +A 253 0A 1 -2,-0.3 2,-0.3 246,-0.2 246,-0.2 -0.972 7.6 172.1-149.4 162.8 39.7 -6.3 -0.9 8 11 A A E -A 252 0A 0 244,-2.4 244,-2.9 -2,-0.3 2,-0.3 -0.951 5.0-175.4-167.2 151.1 40.8 -6.5 2.7 9 12 A R E -Ac 251 196A 0 186,-2.3 188,-1.6 -2,-0.3 242,-0.2 -0.991 24.4-118.5-149.7 147.0 39.7 -7.7 6.2 10 13 A T - 0 0 1 240,-1.7 201,-0.1 -2,-0.3 240,-0.1 -0.388 47.7 -84.2 -68.0 155.4 40.9 -7.6 9.7 11 14 A A - 0 0 0 186,-0.5 2,-0.6 199,-0.4 239,-0.2 -0.326 49.7-117.4 -41.8 141.9 41.7 -10.7 11.7 12 15 A V - 0 0 2 237,-0.1 202,-0.8 331,-0.1 203,-0.7 -0.897 36.9-151.2 -92.3 118.6 38.4 -11.9 13.2 13 16 A G E -D 248 0A 0 235,-2.3 235,-2.6 -2,-0.6 3,-0.1 -0.616 12.4-104.3 -96.2 155.8 38.8 -11.6 17.0 14 17 A S E > -D 247 0A 25 -2,-0.2 3,-2.5 233,-0.2 5,-0.4 -0.136 52.2 -73.0 -72.9 167.2 37.1 -13.6 19.7 15 18 A F T 3 S- 0 0 45 231,-0.5 -1,-0.2 1,-0.3 232,-0.1 -0.450 122.7 -7.1 -64.4 123.0 34.3 -12.5 21.9 16 19 A N T 3 S+ 0 0 49 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.853 116.7 119.7 53.3 39.2 35.9 -10.0 24.3 17 20 A G S X S- 0 0 28 -3,-2.5 3,-1.5 3,-0.0 4,-0.2 0.400 81.3 -22.0 -99.7-124.8 39.2 -11.0 22.8 18 21 A A T 3 S+ 0 0 28 1,-0.3 3,-0.2 2,-0.1 -3,-0.1 0.813 144.8 36.1 -63.9 -34.5 41.7 -8.9 21.0 19 22 A F T > S+ 0 0 0 -5,-0.4 3,-2.9 1,-0.2 -1,-0.3 0.135 74.9 131.2-104.0 18.0 39.1 -6.2 20.0 20 23 A A T < S+ 0 0 18 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.789 88.1 25.8 -37.7 -40.2 37.1 -6.4 23.3 21 24 A N T 3 S+ 0 0 108 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.139 96.2 110.4-116.0 19.1 37.2 -2.6 23.6 22 25 A T < - 0 0 10 -3,-2.9 96,-0.2 2,-0.0 95,-0.1 -0.854 65.3-131.2-104.7 107.1 37.7 -1.6 19.9 23 26 A P >> - 0 0 32 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.257 22.4-117.3 -54.2 142.9 34.6 0.1 18.3 24 27 A A H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 3,-0.2 0.784 110.1 65.0 -53.5 -35.3 33.6 -1.3 15.0 25 28 A H H 3> S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.762 96.6 56.4 -69.1 -23.4 34.3 1.9 13.1 26 29 A E H <> S+ 0 0 57 -3,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.913 108.7 47.4 -68.0 -39.5 38.0 1.7 14.0 27 30 A L H X S+ 0 0 0 -4,-1.0 4,-1.5 1,-0.2 -2,-0.2 0.856 111.5 51.9 -66.4 -33.7 38.1 -1.8 12.3 28 31 A G H X S+ 0 0 2 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.801 107.3 51.5 -74.5 -30.3 36.2 -0.4 9.3 29 32 A A H X S+ 0 0 4 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.870 107.4 51.5 -73.5 -41.2 38.6 2.5 8.8 30 33 A T H X S+ 0 0 38 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.887 113.4 46.5 -61.1 -39.3 41.7 0.2 8.8 31 34 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.830 111.9 49.9 -73.0 -33.8 39.9 -1.9 6.2 32 35 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 5,-0.2 0.947 112.7 47.6 -66.3 -48.2 38.9 1.2 4.1 33 36 A S H X S+ 0 0 56 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.926 112.2 51.7 -53.5 -49.5 42.5 2.5 4.2 34 37 A A H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.905 107.9 48.2 -55.4 -48.0 43.7 -1.0 3.2 35 38 A V H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.874 114.4 47.3 -71.1 -33.0 41.4 -1.4 0.2 36 39 A L H >X>S+ 0 0 8 -4,-2.0 5,-2.3 2,-0.2 4,-1.7 0.956 114.1 47.5 -61.4 -53.6 42.4 2.0 -1.1 37 40 A E H 3<5S+ 0 0 160 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.898 111.6 50.8 -57.1 -41.7 46.1 1.3 -0.5 38 41 A R H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.649 113.3 43.2 -78.4 -20.6 45.8 -2.1 -2.2 39 42 A A H <<5S- 0 0 16 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.648 110.7-114.3 -89.8 -19.0 44.2 -0.8 -5.4 40 43 A G T <5S+ 0 0 65 -4,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.803 71.9 138.7 79.5 36.0 46.4 2.3 -5.7 41 44 A V < - 0 0 10 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.3 -0.940 49.5-132.0-120.0 134.4 43.4 4.5 -5.1 42 45 A A > - 0 0 52 -2,-0.4 3,-2.0 1,-0.1 4,-0.4 -0.598 20.2-122.2 -84.8 141.9 43.4 7.7 -3.0 43 46 A A G > S+ 0 0 21 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.826 110.2 71.2 -45.4 -35.4 40.7 8.3 -0.4 44 47 A G G 3 S+ 0 0 60 1,-0.3 -1,-0.3 29,-0.2 33,-0.1 0.826 94.6 51.8 -51.5 -36.6 40.0 11.5 -2.3 45 48 A E G < S+ 0 0 69 -3,-2.0 2,-0.6 61,-0.0 -1,-0.3 0.503 81.8 111.1 -83.6 -6.6 38.5 9.5 -5.2 46 49 A V < - 0 0 2 -3,-1.8 62,-0.1 -4,-0.4 3,-0.1 -0.598 43.7-173.4 -76.4 117.6 36.0 7.5 -3.1 47 50 A N + 0 0 64 60,-1.6 31,-2.3 -2,-0.6 2,-0.3 0.889 65.6 0.3 -75.4 -39.5 32.4 8.5 -3.7 48 51 A E E -ef 78 108A 4 59,-1.3 61,-2.3 29,-0.2 2,-0.5 -0.999 49.9-147.8-155.0 147.9 30.8 6.5 -1.0 49 52 A V E -ef 79 109A 0 29,-1.9 31,-2.2 -2,-0.3 2,-0.5 -0.981 18.1-174.1-113.2 121.8 31.4 4.0 1.9 50 53 A I E +ef 80 110A 0 59,-2.6 61,-1.6 -2,-0.5 2,-0.5 -0.938 7.9 178.9-118.6 110.1 28.6 1.4 2.5 51 54 A L E -ef 81 111A 2 29,-2.6 31,-1.0 -2,-0.5 2,-0.3 -0.916 23.6-140.2-119.6 117.6 29.1 -0.7 5.6 52 55 A G E +ef 82 112A 0 59,-3.3 61,-2.3 -2,-0.5 2,-0.3 -0.538 32.9 163.5 -64.4 127.2 26.7 -3.5 6.9 53 56 A Q - 0 0 13 29,-2.3 61,-0.1 -2,-0.3 32,-0.1 -0.965 21.8-176.2-145.4 138.0 26.6 -3.3 10.7 54 57 A V S S+ 0 0 7 -2,-0.3 3,-0.1 59,-0.3 398,-0.1 0.710 80.5 41.8-103.1 -30.7 23.9 -5.0 12.8 55 58 A L + 0 0 10 1,-0.1 60,-0.3 392,-0.0 -1,-0.2 -0.660 59.3 138.7-123.9 71.7 24.8 -3.8 16.3 56 59 A P > + 0 0 34 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.404 28.9 138.3 -91.1 3.0 25.8 -0.1 16.2 57 60 A A T 3 S+ 0 0 14 1,-0.3 388,-0.0 2,-0.1 82,-0.0 -0.254 73.9 9.6 -60.0 124.4 24.0 0.8 19.5 58 61 A G T 3 S+ 0 0 29 471,-0.1 -1,-0.3 61,-0.1 3,-0.1 0.234 101.3 98.6 94.2 -10.7 26.1 3.2 21.6 59 62 A E S < S- 0 0 33 -3,-2.1 -2,-0.1 1,-0.2 2,-0.1 0.627 84.8-120.4 -83.1 -16.7 28.7 3.9 19.0 60 63 A G - 0 0 5 -4,-0.4 473,-0.3 469,-0.1 -1,-0.2 -0.429 56.9 -6.7 107.7 178.9 27.2 7.2 17.9 61 64 A Q S S- 0 0 6 471,-0.7 5,-0.2 475,-0.7 473,-0.1 -0.342 119.7 -31.0 -51.3 118.5 25.8 8.8 14.7 62 65 A N >> - 0 0 3 471,-0.5 4,-1.5 1,-0.1 3,-1.1 0.772 56.1-157.6 41.8 72.3 26.4 6.5 11.7 63 66 A P H 3> S+ 0 0 3 0, 0.0 4,-4.0 0, 0.0 5,-0.3 0.794 92.7 68.1 -42.7 -36.5 29.6 4.5 12.3 64 67 A A H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 16,-0.2 0.952 103.8 42.7 -48.5 -54.8 29.8 4.0 8.5 65 68 A R H <> S+ 0 0 4 -3,-1.1 4,-2.5 14,-0.3 -1,-0.2 0.855 114.0 51.8 -56.6 -42.3 30.4 7.8 8.3 66 69 A Q H X S+ 0 0 18 -4,-1.5 4,-2.7 -5,-0.2 5,-0.3 0.956 110.6 47.6 -65.4 -51.3 32.9 7.6 11.3 67 70 A A H X S+ 0 0 0 -4,-4.0 4,-2.5 1,-0.2 6,-0.2 0.945 113.2 48.9 -45.4 -58.1 34.8 4.8 9.6 68 71 A A H <>S+ 0 0 2 -4,-2.6 5,-2.0 -5,-0.3 4,-0.4 0.924 113.1 46.2 -54.3 -48.2 34.9 6.7 6.3 69 72 A M H ><5S+ 0 0 49 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.948 111.8 49.3 -64.8 -50.6 36.1 9.9 7.9 70 73 A K H 3<5S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.886 104.4 61.6 -53.0 -39.9 38.8 8.3 10.1 71 74 A A T 3<5S- 0 0 13 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.618 121.8-108.5 -62.0 -11.8 40.0 6.5 6.9 72 75 A G T < 5 + 0 0 50 -3,-2.1 -3,-0.2 -4,-0.4 -2,-0.1 0.446 67.7 151.9 94.3 1.2 40.7 9.9 5.4 73 76 A V < - 0 0 4 -5,-2.0 -1,-0.3 -6,-0.2 -29,-0.2 -0.494 52.5-105.7 -65.3 136.2 37.8 9.7 3.0 74 77 A P > - 0 0 33 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.166 14.3-114.7 -76.0 161.7 36.9 13.3 2.4 75 78 A Q T 3 S+ 0 0 57 1,-0.2 595,-0.1 -3,-0.1 -2,-0.1 0.674 111.1 65.4 -64.6 -17.4 33.8 15.1 3.7 76 79 A E T 3 S+ 0 0 113 593,-0.1 593,-1.8 592,-0.1 -1,-0.2 0.874 89.7 77.4 -75.9 -35.6 32.4 15.5 0.2 77 80 A A S < S- 0 0 10 -3,-0.7 2,-0.2 591,-0.2 -29,-0.2 -0.050 81.0-125.4 -60.1 172.4 31.9 11.8 -0.2 78 81 A T E -e 48 0A 7 -31,-2.3 -29,-1.9 591,-0.1 2,-0.3 -0.745 21.8-168.5-123.3 170.7 28.9 10.0 1.5 79 82 A A E +e 49 0A 0 -2,-0.2 2,-0.3 -31,-0.2 -14,-0.3 -0.962 8.7 163.6-163.7 141.1 28.5 7.1 3.8 80 83 A W E -e 50 0A 0 -31,-2.2 -29,-2.6 -2,-0.3 2,-0.3 -0.990 23.5-131.6-156.2 162.5 25.9 4.7 5.4 81 84 A G E -eG 51 473A 10 392,-2.4 392,-3.9 -2,-0.3 2,-0.3 -0.836 18.5-167.8-112.2 157.2 25.1 1.5 7.2 82 85 A M E -eG 52 472A 3 -31,-1.0 -29,-2.3 -2,-0.3 2,-0.4 -0.925 11.0-142.6-138.2 161.2 22.6 -1.2 6.5 83 86 A N E + G 0 471A 22 388,-3.9 388,-2.0 -2,-0.3 3,-0.1 -0.903 40.0 138.3-132.3 105.4 21.2 -4.2 8.4 84 87 A Q > - 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0 0 1 -3,-0.9 396,-0.2 -4,-0.4 397,-0.2 -0.376 55.8-141.1 -53.2 124.7 27.4 -4.2 22.1 120 123 A P - 0 0 4 0, 0.0 19,-1.5 0, 0.0 20,-0.4 -0.218 8.8-110.3 -85.2 175.8 25.9 -2.6 25.2 121 124 A H E -XY 138 513B 0 392,-3.1 392,-2.1 17,-0.2 2,-0.3 -0.840 42.6-173.0-100.0 146.4 23.1 -3.7 27.5 122 125 A C E -XY 137 512B 2 15,-3.0 15,-3.7 -2,-0.4 2,-0.3 -0.923 20.2-174.1-139.4 164.4 20.0 -1.6 27.3 123 126 A A E - Y 0 511B 6 388,-2.5 388,-3.2 -2,-0.3 2,-0.9 -0.967 31.2-120.5-151.1 148.9 16.6 -0.9 28.8 124 127 A H + 0 0 63 -2,-0.3 3,-0.1 386,-0.3 4,-0.1 -0.823 44.5 156.6 -92.5 103.9 13.6 1.4 27.9 125 128 A L + 0 0 8 -2,-0.9 784,-1.2 1,-0.1 3,-0.3 0.125 34.0 104.8-120.2 19.5 13.3 3.6 31.0 126 129 A R S S+ 0 0 2 1,-0.2 -1,-0.1 381,-0.2 382,-0.1 0.864 80.0 53.3 -66.5 -39.5 11.5 6.8 29.7 127 130 A G S S- 0 0 56 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.747 115.3-113.2 -69.1 -23.4 8.0 6.0 31.2 128 131 A G - 0 0 18 -3,-0.3 2,-0.9 781,-0.1 3,-0.1 0.310 11.4-112.8 94.4 131.3 9.5 5.5 34.7 129 132 A V - 0 0 28 776,-1.1 779,-0.2 -4,-0.2 3,-0.1 -0.890 35.1-175.7 -91.4 103.5 9.7 2.2 36.5 130 133 A K - 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0 0 13 29,-2.9 61,-0.1 -2,-0.2 32,-0.1 -0.928 24.0-178.0-156.0 137.4 28.1 -2.9 58.3 834 57 C V S S+ 0 0 6 -2,-0.3 398,-0.1 59,-0.3 3,-0.1 0.751 80.3 41.3-105.3 -31.4 28.3 0.1 56.1 835 58 C L + 0 0 8 1,-0.1 60,-0.3 392,-0.0 -1,-0.1 -0.537 59.6 139.2-123.7 64.3 27.5 -1.3 52.6 836 59 C P > + 0 0 32 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.373 27.2 138.8 -86.0 6.0 24.6 -3.8 52.9 837 60 C A T 3 S+ 0 0 11 1,-0.3 82,-0.1 2,-0.1 388,-0.0 -0.314 74.2 8.7 -65.0 119.8 22.8 -2.6 49.7 838 61 C G T 3 S+ 0 0 29 -2,-0.2 -1,-0.3 471,-0.2 3,-0.1 0.364 99.4 100.1 97.2 -3.0 21.4 -5.5 47.7 839 62 C E S < S- 0 0 29 -3,-2.1 -2,-0.1 1,-0.3 -34,-0.1 0.419 84.1-126.9 -92.3 -2.5 22.1 -8.2 50.3 840 63 C G + 0 0 6 -4,-0.3 -1,-0.3 469,-0.1 473,-0.3 -0.219 57.0 1.2 89.3-176.0 18.5 -8.2 51.5 841 64 C Q S S- 0 0 6 475,-0.8 5,-0.3 471,-0.8 477,-0.1 -0.232 119.3 -32.9 -53.2 116.2 16.7 -7.7 54.9 842 65 C N >> - 0 0 3 471,-0.5 4,-1.5 1,-0.1 3,-1.1 0.847 55.6-154.7 41.1 79.3 19.1 -7.1 57.8 843 66 C P H 3> S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.734 93.0 66.6 -49.2 -29.0 22.3 -9.1 57.0 844 67 C A H 3> S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 16,-0.1 0.911 103.2 44.5 -61.1 -43.4 23.0 -9.2 60.7 845 68 C R H <> S+ 0 0 4 -3,-1.1 4,-2.3 14,-0.2 -1,-0.2 0.871 113.1 52.1 -65.7 -38.2 19.9 -11.4 61.1 846 69 C Q H X S+ 0 0 20 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.854 110.5 47.4 -65.9 -39.8 21.0 -13.5 58.0 847 70 C A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 6,-0.2 0.943 112.4 49.9 -63.1 -50.7 24.5 -14.1 59.5 848 71 C A H <>S+ 0 0 2 -4,-2.1 5,-2.5 1,-0.2 -2,-0.2 0.918 111.7 47.1 -55.3 -50.7 23.0 -15.1 62.9 849 72 C M H ><5S+ 0 0 52 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.916 112.8 47.4 -62.6 -47.7 20.5 -17.6 61.5 850 73 C K H 3<5S+ 0 0 143 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.801 105.5 61.3 -63.2 -30.5 23.1 -19.3 59.2 851 74 C A T 3<5S- 0 0 9 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.474 123.7-107.3 -71.1 -3.7 25.5 -19.4 62.2 852 75 C G T < 5 + 0 0 49 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.584 68.3 152.3 83.5 11.8 22.8 -21.6 63.9 853 76 C V < - 0 0 4 -5,-2.5 -1,-0.3 -6,-0.2 -29,-0.2 -0.576 50.5-108.4 -69.1 135.5 21.8 -18.8 66.3 854 77 C P > - 0 0 35 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.109 14.1-113.6 -72.2 169.3 18.1 -19.6 67.1 855 78 C Q T 3 S+ 0 0 67 1,-0.2 595,-0.2 594,-0.1 -2,-0.0 0.587 111.5 65.6 -74.0 -12.6 15.0 -17.7 65.9 856 79 C E T 3 S+ 0 0 123 593,-0.2 593,-2.2 592,-0.1 -1,-0.2 0.750 90.0 78.2 -80.0 -29.6 14.3 -16.5 69.5 857 80 C A S < S- 0 0 8 -3,-0.5 2,-0.3 591,-0.2 -29,-0.2 -0.225 79.5-126.5 -68.9 170.2 17.4 -14.4 69.7 858 81 C T E -n 828 0L 5 -31,-1.9 -29,-2.3 589,-0.1 2,-0.3 -0.751 21.7-171.7-119.6 163.9 17.6 -11.0 68.0 859 82 C A E +n 829 0L 0 -2,-0.3 2,-0.3 -31,-0.2 -14,-0.2 -0.992 7.1 166.4-155.3 153.4 20.0 -9.4 65.5 860 83 C W E -n 830 0L 0 -31,-2.3 -29,-2.4 -2,-0.3 2,-0.3 -0.982 23.7-130.1-163.9 155.7 20.8 -6.0 63.9 861 84 C G E -nP 8311253L 10 392,-2.0 392,-3.4 -2,-0.3 2,-0.3 -0.736 21.1-168.4-105.3 157.0 23.3 -4.0 61.9 862 85 C M E -nP 8321252L 3 -31,-1.2 -29,-2.9 390,-0.3 2,-0.4 -0.966 11.0-144.9-144.0 159.8 24.7 -0.5 62.5 863 86 C N E + P 01251L 19 388,-3.9 388,-2.5 -2,-0.3 371,-0.2 -0.902 39.9 138.5-136.4 104.5 26.8 2.1 60.7 864 87 C Q > - 0 0 0 1,-0.6 3,-1.7 -2,-0.4 4,-0.2 -0.301 64.4-126.0-122.1 42.6 29.4 4.5 62.2 865 88 C L G > S+ 0 0 1 1,-0.3 3,-2.4 2,-0.2 -1,-0.6 -0.172 83.3 1.0 49.8-136.7 31.6 3.9 59.1 866 89 C C G 3 S+ 0 0 17 1,-0.3 265,-0.5 58,-0.2 3,-0.4 0.773 135.6 55.5 -48.0 -33.9 35.1 2.7 60.0 867 90 C G G X> S+ 0 0 0 -3,-1.7 4,-2.3 1,-0.2 3,-1.0 0.607 81.6 92.7 -77.0 -13.1 34.2 2.8 63.8 868 91 C S H <> S+ 0 0 0 -3,-2.4 4,-2.9 1,-0.2 5,-0.2 0.877 78.4 54.6 -50.7 -54.1 31.2 0.4 63.5 869 92 C G H 3> S+ 0 0 0 259,-0.4 4,-0.5 258,-0.4 -1,-0.2 0.741 116.0 38.6 -56.6 -30.1 33.0 -2.9 64.2 870 93 C L H <> S+ 0 0 0 -3,-1.0 4,-1.8 -4,-0.2 -1,-0.2 0.793 113.8 53.7 -89.7 -36.9 34.4 -1.7 67.5 871 94 C R H X S+ 0 0 0 -4,-2.3 4,-3.9 2,-0.2 5,-0.3 0.852 100.7 62.2 -65.2 -36.0 31.3 0.3 68.5 872 95 C A H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.903 104.2 48.9 -54.9 -41.8 29.2 -2.8 68.0 873 96 C V H X S+ 0 0 0 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.935 112.8 46.3 -64.4 -47.5 31.3 -4.5 70.7 874 97 C A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.944 113.6 48.3 -60.2 -48.4 30.8 -1.4 73.0 875 98 C L H X S+ 0 0 0 -4,-3.9 4,-1.5 1,-0.2 -1,-0.2 0.867 111.3 52.1 -58.0 -35.8 27.0 -1.4 72.2 876 99 C G H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.862 106.8 52.8 -65.8 -38.4 27.1 -5.2 72.9 877 100 C M H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 3,-0.2 0.918 105.4 54.8 -59.0 -46.1 28.8 -4.4 76.3 878 101 C Q H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 6,-0.3 0.863 101.0 58.3 -60.6 -39.2 25.9 -2.0 77.1 879 102 C Q H <>S+ 0 0 1 -4,-1.5 5,-2.3 1,-0.2 6,-0.8 0.930 114.0 38.4 -52.5 -48.5 23.3 -4.7 76.5 880 103 C I H ><5S+ 0 0 19 -4,-1.3 3,-1.0 -3,-0.2 -2,-0.2 0.870 113.4 54.7 -73.3 -41.2 24.9 -6.9 79.2 881 104 C A H 3<5S+ 0 0 55 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.759 110.1 47.4 -66.4 -27.2 25.8 -4.0 81.6 882 105 C T T 3<5S- 0 0 44 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.406 115.8-112.6 -94.8 1.4 22.1 -2.8 81.6 883 106 C G T < 5S+ 0 0 58 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.707 85.7 116.4 78.7 22.0 20.7 -6.3 82.2 884 107 C D S -F 901 0M 0 -2,-0.3 4,-2.8 -17,-0.2 3,-0.3 -0.718 17.2-158.6 -76.7 106.5 29.1 3.2 43.0 919 142 C T H > S+ 0 0 1 -19,-1.7 4,-2.7 -2,-0.9 5,-0.5 0.846 89.8 59.7 -55.4 -35.8 27.5 2.7 46.5 920 143 C M H >>S+ 0 0 0 -20,-0.4 4,-1.3 1,-0.2 5,-1.0 0.945 112.7 35.7 -57.2 -51.2 31.0 1.8 47.8 921 144 C I H 4>S+ 0 0 31 -3,-0.3 5,-1.0 3,-0.2 4,-0.4 0.888 124.8 42.9 -71.6 -40.8 32.5 5.2 46.8 922 145 C K H <5S+ 0 0 87 -4,-2.8 309,-1.0 3,-0.2 4,-0.4 0.982 127.3 26.1 -67.7 -58.6 29.3 7.2 47.6 923 146 C D H <5S+ 0 0 11 -4,-2.7 309,-0.5 307,-0.3 -3,-0.2 0.544 133.5 29.8 -88.5 -11.9 28.3 5.6 50.9 924 147 C G T <5S+ 0 0 4 -4,-1.3 -3,-0.2 -5,-0.5 -58,-0.2 0.760 126.9 22.0-115.5 -39.8 31.7 4.3 52.2 925 148 C L T - 0 0 2 5,-2.8 4,-1.0 -2,-0.4 -2,-0.1 -0.486 14.8-145.1 -70.5 134.1 32.6 12.7 52.6 928 151 C A T 4 S+ 0 0 34 -2,-0.2 -1,-0.1 303,-0.2 304,-0.0 0.809 92.8 41.3 -69.0 -29.9 29.0 13.8 52.6 929 152 C F T 4 S+ 0 0 65 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.966 124.5 26.1 -87.8 -59.2 29.8 17.4 53.4 930 153 C Y T 4 S- 0 0 109 2,-0.1 -2,-0.1 132,-0.1 -1,-0.1 0.510 95.4-132.9 -91.8 -5.5 32.9 18.5 51.3 931 154 C G < + 0 0 56 -4,-1.0 2,-0.2 1,-0.2 -3,-0.1 0.505 63.3 114.9 75.9 6.8 32.2 16.0 48.6 932 155 C Y S S- 0 0 59 1,-0.1 -5,-2.8 2,-0.0 -1,-0.2 -0.669 70.9 -89.2-108.1 164.6 35.8 14.6 48.3 933 156 C H B >> -I 926 0N 54 -7,-0.2 3,-1.9 -2,-0.2 4,-0.8 -0.245 39.5-107.4 -65.9 155.3 37.3 11.2 48.9 934 157 C M H >> S+ 0 0 10 -9,-2.2 4,-1.5 1,-0.3 3,-0.6 0.802 117.7 69.2 -52.8 -31.6 38.7 10.3 52.4 935 158 C G H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.760 92.5 57.7 -60.1 -27.8 42.2 10.5 50.9 936 159 C T H <> S+ 0 0 35 -3,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.827 103.7 51.4 -69.9 -34.2 41.7 14.3 50.5 937 160 C T H S+ 0 0 2 -4,-2.5 5,-2.8 1,-0.2 -2,-0.2 0.893 115.1 40.5 -58.1 -43.3 49.4 15.6 56.1 943 166 C K H ><5S+ 0 0 118 -4,-2.5 3,-0.5 3,-0.2 -1,-0.2 0.858 116.7 49.0 -74.3 -37.9 49.7 19.4 55.4 944 167 C Q H 3<5S+ 0 0 125 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.924 120.8 35.8 -67.9 -45.5 48.4 20.4 58.8 945 168 C W T 3<5S- 0 0 70 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.211 107.4-128.8 -90.6 13.5 50.9 18.1 60.6 946 169 C Q T < 5 + 0 0 177 -3,-0.5 2,-0.7 1,-0.2 -3,-0.2 0.865 42.7 172.2 36.8 56.4 53.6 18.8 57.8 947 170 C L < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.865 24.1-137.1 -96.5 110.6 54.1 15.0 57.3 948 171 C S > - 0 0 67 -2,-0.7 4,-1.9 1,-0.1 5,-0.2 -0.086 18.7-111.3 -68.1 162.2 56.4 14.6 54.2 949 172 C R H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.855 119.1 53.8 -57.3 -39.4 56.0 12.0 51.4 950 173 C D H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 107.1 49.6 -65.2 -42.8 59.1 10.2 52.7 951 174 C E H > S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.870 111.7 49.4 -64.7 -37.7 57.7 9.9 56.3 952 175 C Q H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.870 112.0 47.6 -69.7 -38.5 54.4 8.5 54.9 953 176 C D H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.908 108.9 53.2 -68.7 -43.5 56.2 5.9 52.7 954 177 C A H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.895 111.2 46.7 -58.0 -43.8 58.6 4.7 55.5 955 178 C F H X S+ 0 0 36 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.885 111.2 53.9 -61.7 -41.0 55.5 4.1 57.8 956 179 C A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.937 111.1 43.3 -59.1 -50.5 53.9 2.3 54.8 957 180 C V H X S+ 0 0 19 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.878 111.0 55.9 -65.0 -38.5 56.8 -0.1 54.3 958 181 C A H X S+ 0 0 41 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.857 106.9 50.5 -62.0 -37.6 57.1 -0.6 58.0 959 182 C S H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.903 112.0 47.1 -63.6 -43.5 53.4 -1.7 58.1 960 183 C Q H X S+ 0 0 4 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.865 113.6 47.6 -67.9 -39.5 54.0 -4.2 55.2 961 184 C N H X S+ 0 0 76 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.886 112.6 47.2 -70.1 -43.1 57.2 -5.6 56.8 962 185 C K H X S+ 0 0 62 -4,-2.0 4,-3.1 -5,-0.2 5,-0.2 0.915 113.4 50.0 -62.2 -42.7 55.7 -6.1 60.2 963 186 C A H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.792 110.5 47.7 -71.2 -33.4 52.6 -7.7 58.7 964 187 C E H X S+ 0 0 39 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.880 113.7 50.9 -67.5 -40.8 54.6 -10.2 56.5 965 188 C A H X S+ 0 0 33 -4,-2.0 4,-2.7 1,-0.2 6,-0.2 0.969 110.9 45.2 -60.1 -57.1 56.6 -10.9 59.7 966 189 C A H <>S+ 0 0 0 -4,-3.1 5,-1.6 1,-0.2 6,-0.7 0.749 115.5 51.3 -59.5 -25.8 53.6 -11.6 61.9 967 190 C Q H ><5S+ 0 0 38 -4,-0.9 3,-2.0 -5,-0.2 5,-0.3 0.967 111.5 42.4 -74.4 -58.9 52.2 -13.7 58.9 968 191 C K H 3<5S+ 0 0 158 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.898 112.8 55.9 -53.4 -43.0 55.2 -16.0 58.3 969 192 C D T 3<5S- 0 0 102 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.387 114.7-117.1 -75.1 2.8 55.6 -16.4 62.1 970 193 C G T X>5S+ 0 0 36 -3,-2.0 3,-1.8 -5,-0.1 4,-0.5 0.561 72.6 135.8 76.2 9.9 52.0 -17.7 62.4 971 194 C R T 34 S+ 0 0 9 -6,-0.7 4,-2.1 -5,-0.3 -1,-0.3 0.451 88.3 85.9 -97.0 -4.4 47.7 -14.4 62.6 973 196 C K T <4 S+ 0 0 153 -3,-1.8 -2,-0.2 2,-0.2 -1,-0.1 0.941 85.2 50.7 -65.6 -49.4 46.8 -18.1 63.0 974 197 C D T < S+ 0 0 79 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.950 117.0 38.5 -51.8 -57.7 45.0 -17.9 66.4 975 198 C E T 4 S+ 0 0 0 -4,-0.3 -186,-1.7 -187,-0.1 2,-0.4 0.859 100.6 83.6 -66.1 -39.6 42.7 -15.0 65.4 976 199 C I B < -l 789 0L 10 -4,-2.1 -186,-0.2 -188,-0.2 55,-0.0 -0.533 59.8-163.7 -74.3 122.5 42.0 -16.1 61.8 977 200 C V - 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