==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-NOV-07 2VG3 . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.H.NAISMITH,W.WANG,C.DONG . 1135 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 781 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 0 0.0 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 . 63 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 358 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 0 0 2 6 0 0 0 0 1 3 4 0 0 4 0 0 0 0 4 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 12 0 4 4 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 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 13 A F 0 0 148 0, 0.0 98,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 148.6 1.7 45.3 464.0 2 14 A P + 0 0 50 0, 0.0 2,-0.1 0, 0.0 47,-0.0 0.353 360.0 114.4 -84.5 5.5 1.7 41.8 462.4 3 15 A Q S S- 0 0 21 47,-0.1 95,-0.2 96,-0.1 94,-0.1 -0.421 73.0-115.4 -74.8 150.5 4.2 40.4 464.9 4 16 A L - 0 0 59 93,-2.1 43,-0.3 92,-0.2 3,-0.1 -0.695 41.7-103.9 -73.7 141.0 3.2 37.7 467.3 5 17 A P - 0 0 84 0, 0.0 42,-0.1 0, 0.0 -1,-0.1 -0.153 55.6 -70.8 -56.4 158.5 3.4 39.1 470.9 6 18 A P - 0 0 88 0, 0.0 40,-0.1 0, 0.0 3,-0.1 -0.303 66.6-103.5 -49.0 139.6 6.4 37.9 472.9 7 19 A A - 0 0 16 38,-0.2 -3,-0.0 1,-0.1 39,-0.0 -0.252 43.2 -84.7 -64.9 153.5 5.8 34.2 473.6 8 20 A P > - 0 0 64 0, 0.0 3,-1.7 0, 0.0 32,-0.1 -0.318 43.5-117.1 -51.3 144.2 4.7 33.2 477.0 9 21 A D T 3 S+ 0 0 118 1,-0.3 -2,-0.1 -3,-0.1 31,-0.0 0.848 115.1 47.0 -56.2 -34.5 7.9 32.8 479.2 10 22 A D T 3 S+ 0 0 143 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.397 83.8 122.8 -88.6 2.9 7.2 29.1 479.6 11 23 A Y S < S- 0 0 23 -3,-1.7 16,-0.1 1,-0.1 -4,-0.0 -0.350 76.6 -87.7 -66.9 141.3 6.5 28.4 475.9 12 24 A P - 0 0 32 0, 0.0 28,-1.9 0, 0.0 2,-0.2 -0.159 45.3-139.8 -48.5 146.2 8.8 25.8 474.4 13 25 A T E -a 40 0A 53 26,-0.2 28,-0.2 -3,-0.1 3,-0.2 -0.653 14.4-119.3-108.6 164.6 12.1 27.0 472.9 14 26 A F E +a 41 0A 0 26,-1.8 28,-1.0 1,-0.2 29,-0.2 -0.969 67.4 26.8-158.3 144.4 14.0 26.0 469.8 15 27 A P + 0 0 22 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.615 44.5 176.8 -97.4 149.6 16.6 24.8 468.8 16 28 A D > - 0 0 84 7,-0.4 3,-0.7 -3,-0.2 7,-0.5 -0.926 9.4-171.3-100.1 107.4 18.4 22.5 471.2 17 29 A T T 3 + 0 0 99 -2,-0.7 -1,-0.1 1,-0.2 5,-0.0 0.142 62.0 98.3 -90.6 19.6 21.5 21.3 469.2 18 30 A S T 3 S+ 0 0 98 5,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.380 86.5 46.0 -84.3 -0.8 22.5 18.7 471.8 19 31 A T S < S- 0 0 33 -3,-0.7 4,-0.1 4,-0.0 -3,-0.0 -0.989 87.6-119.0-134.2 145.7 20.8 16.1 469.7 20 32 A W S S+ 0 0 82 -2,-0.3 2,-0.2 1,-0.1 63,-0.1 -0.996 104.8 32.9-128.6 132.2 20.9 15.5 466.0 21 33 A P S S- 0 0 9 0, 0.0 -1,-0.1 0, 0.0 62,-0.1 0.661 112.2-117.4 -61.3 155.2 18.5 15.7 464.3 22 34 A V - 0 0 7 -2,-0.2 2,-0.5 1,-0.1 -5,-0.1 -0.362 25.3-114.6 -65.4 146.4 17.3 18.4 466.7 23 35 A V - 0 0 73 -7,-0.5 -7,-0.4 -4,-0.1 -1,-0.1 -0.702 19.6-143.1 -86.0 125.7 14.2 17.6 468.6 24 36 A F - 0 0 13 -2,-0.5 -10,-0.1 -9,-0.1 3,-0.1 -0.817 31.9-117.6 -88.5 124.3 11.2 19.8 467.8 25 37 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.222 20.3-103.8 -69.3 150.8 9.4 20.4 471.0 26 38 A E - 0 0 136 945,-0.0 946,-0.0 1,-0.0 0, 0.0 -0.505 42.6-144.6 -62.4 135.6 5.8 19.3 471.8 27 39 A L - 0 0 45 -2,-0.2 3,-0.1 -3,-0.1 -16,-0.0 -0.866 18.8 -98.2-111.0 143.1 3.7 22.5 471.6 28 40 A P - 0 0 69 0, 0.0 9,-0.1 0, 0.0 -1,-0.1 -0.203 51.8 -96.5 -52.4 145.9 0.6 23.4 473.8 29 41 A A - 0 0 95 1,-0.1 3,-0.0 7,-0.1 0, 0.0 -0.308 27.5-124.3 -67.3 146.4 -2.7 22.6 472.1 30 42 A A - 0 0 35 4,-0.1 -1,-0.1 -3,-0.1 6,-0.1 -0.834 12.5-144.7 -87.9 127.6 -4.6 25.3 470.2 31 43 A P S S- 0 0 137 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.701 77.8 -64.1 -54.0 -35.0 -8.2 25.5 471.7 32 44 A Y S S+ 0 0 199 1,-0.2 2,-0.2 3,-0.1 4,-0.0 0.412 97.3 101.3-126.5-166.5 -8.5 26.0 468.6 33 45 A G S S- 0 0 50 -2,-0.1 -1,-0.2 2,-0.1 -3,-0.0 -0.221 72.0 -94.1 -87.4-167.0 -8.2 27.6 465.8 34 46 A G S S+ 0 0 54 -2,-0.2 -4,-0.1 -3,-0.1 108,-0.0 0.889 87.3 63.7 -53.2 -86.8 -5.6 26.0 463.5 35 47 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 106,-0.2 -0.120 68.4-136.7 -62.2 136.3 -1.9 27.1 463.4 36 48 A C - 0 0 21 104,-2.9 -7,-0.1 1,-0.1 -2,-0.1 -0.617 26.4-101.5 -88.1 146.5 0.1 26.7 466.5 37 49 A R - 0 0 49 -2,-0.2 -1,-0.1 -9,-0.1 3,-0.1 -0.455 44.6-113.0 -60.9 134.2 2.5 29.5 467.8 38 50 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.314 37.7 -92.5 -65.0 153.2 6.1 28.5 466.8 39 51 A P - 0 0 0 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.395 47.4-116.3 -61.4 148.0 8.5 27.7 469.7 40 52 A Q E -a 13 0A 5 -28,-1.9 -26,-1.8 1,-0.2 6,-0.1 -0.303 38.3 -82.9 -77.2 165.8 10.4 30.8 470.8 41 53 A H E > -a 14 0A 12 4,-0.5 3,-2.3 -28,-0.2 -1,-0.2 -0.332 38.0-110.7 -64.6 152.6 14.1 31.1 470.4 42 54 A T T 3 S+ 0 0 74 -28,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.840 122.8 54.5 -46.4 -39.5 16.4 29.6 473.1 43 55 A S T 3 S- 0 0 53 -29,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.582 106.1-131.8 -72.0 -13.8 17.2 33.2 474.1 44 56 A K < + 0 0 87 -3,-2.3 -2,-0.1 1,-0.2 -37,-0.1 0.683 49.6 159.6 62.4 23.3 13.5 34.0 474.5 45 57 A A - 0 0 34 -39,-0.1 -4,-0.5 1,-0.1 2,-0.3 -0.344 33.8-132.7 -67.4 154.2 14.0 37.2 472.4 46 58 A A - 0 0 43 -40,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.873 24.8 -96.6-111.9 147.2 10.9 38.6 470.9 47 59 A A - 0 0 14 -2,-0.3 2,-0.1 -43,-0.3 218,-0.1 -0.294 47.5-105.7 -59.3 141.2 10.4 39.8 467.3 48 60 A P - 0 0 20 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.407 36.2-104.2 -69.2 151.6 11.0 43.5 466.8 49 61 A R + 0 0 194 -3,-0.1 49,-0.1 -2,-0.1 -3,-0.0 -0.682 52.1 164.9 -84.0 111.0 7.8 45.6 466.3 50 62 A I - 0 0 6 -2,-0.7 -47,-0.1 48,-0.2 5,-0.1 -0.991 39.8-112.2-133.6 124.0 7.7 46.5 462.6 51 63 A P >> - 0 0 46 0, 0.0 3,-1.5 0, 0.0 4,-1.0 -0.171 26.8-122.0 -55.0 143.3 4.6 47.8 460.7 52 64 A A T 34 S+ 0 0 65 1,-0.3 3,-0.3 2,-0.2 -2,-0.0 0.823 111.8 55.7 -57.3 -34.8 3.3 45.4 458.2 53 65 A D T 34 S+ 0 0 133 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.622 108.5 47.8 -73.7 -16.4 3.7 47.9 455.4 54 66 A R T <4 S+ 0 0 75 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.528 90.4 96.8-104.6 -8.9 7.4 48.4 456.1 55 67 A L S < S- 0 0 16 -4,-1.0 2,-0.3 -3,-0.3 3,-0.1 -0.395 88.4-100.6 -67.3 155.6 8.4 44.7 456.4 56 68 A P - 0 0 1 0, 0.0 45,-0.4 0, 0.0 46,-0.2 -0.654 27.9-152.1 -69.9 132.6 9.9 43.0 453.4 57 69 A N S S+ 0 0 70 -2,-0.3 45,-1.3 1,-0.3 44,-0.5 0.865 83.6 27.0 -70.1 -38.3 7.0 41.0 451.8 58 70 A H E -b 102 0B 0 43,-0.2 170,-2.3 168,-0.1 171,-1.8 -0.992 69.3-170.5-134.6 120.2 9.4 38.4 450.4 59 71 A V E -bc 103 229B 0 43,-2.4 45,-2.3 -2,-0.4 2,-0.4 -0.953 6.3-161.4-111.6 130.8 12.8 37.5 451.9 60 72 A A E -bc 104 230B 0 169,-2.6 171,-3.3 -2,-0.4 2,-0.5 -0.939 7.6-160.6-112.9 130.7 15.2 35.3 449.9 61 73 A I E -bc 105 231B 0 43,-3.2 45,-2.1 -2,-0.4 2,-0.8 -0.968 14.8-161.6-117.9 125.3 18.1 33.6 451.8 62 74 A V E - c 0 232B 7 169,-3.0 171,-1.7 -2,-0.5 2,-0.5 -0.896 22.7-149.3 -95.1 105.7 21.2 32.1 450.4 63 75 A M + 0 0 33 -2,-0.8 2,-0.3 43,-0.4 3,-0.1 -0.658 32.0 160.2 -78.5 120.8 22.3 29.9 453.2 64 76 A D + 0 0 24 -2,-0.5 195,-1.9 193,-0.2 170,-0.1 -0.986 33.1 55.3-148.8 152.3 26.1 29.7 453.1 65 77 A G > + 0 0 1 -2,-0.3 4,-2.3 193,-0.2 5,-0.1 0.436 58.6 125.5 107.3 1.0 29.2 28.9 455.2 66 78 A N H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.877 77.9 45.9 -56.2 -42.2 28.3 25.3 456.2 67 79 A G H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.938 113.0 47.3 -71.2 -47.1 31.6 23.9 454.9 68 80 A R H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 109.5 56.5 -58.6 -39.6 33.8 26.6 456.4 69 81 A W H X S+ 0 0 31 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.908 110.7 42.7 -59.6 -45.1 31.9 26.1 459.7 70 82 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 3,-1.4 0.953 111.6 54.4 -65.9 -50.0 32.8 22.4 459.7 71 83 A T H ><5S+ 0 0 93 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.881 100.1 60.5 -53.9 -42.6 36.4 23.0 458.6 72 84 A Q H 3<5S+ 0 0 133 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.821 112.4 40.3 -50.5 -34.0 36.9 25.4 461.6 73 85 A R T <<5S- 0 0 113 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.248 118.5-110.1-103.0 8.7 36.1 22.5 463.9 74 86 A G T < 5S+ 0 0 72 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.740 74.8 134.5 69.8 25.5 38.1 19.8 461.9 75 87 A L < - 0 0 77 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.647 63.7 -91.6-105.6 158.8 34.9 18.1 460.7 76 88 A A >> - 0 0 63 -2,-0.2 3,-2.0 1,-0.1 4,-0.7 -0.387 40.0-113.4 -65.2 148.1 33.7 16.8 457.4 77 89 A R H >> S+ 0 0 69 1,-0.3 4,-1.5 2,-0.2 3,-0.9 0.840 114.4 64.1 -53.2 -37.9 31.7 19.3 455.3 78 90 A T H 3> S+ 0 0 32 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.749 92.7 63.9 -62.3 -21.0 28.5 17.3 455.6 79 91 A E H <> S+ 0 0 71 -3,-2.0 4,-1.4 2,-0.2 -1,-0.3 0.864 101.7 50.0 -71.0 -33.8 28.6 17.9 459.4 80 92 A G H X S+ 0 0 9 -4,-1.5 3,-1.0 1,-0.2 4,-0.6 0.929 104.4 55.7 -62.0 -45.1 25.2 20.7 456.4 82 94 A K H >X S+ 0 0 46 -4,-2.3 3,-1.1 1,-0.2 4,-0.5 0.889 104.4 53.5 -51.7 -40.9 23.5 18.7 459.2 83 95 A M H 3X S+ 0 0 46 -4,-1.4 4,-1.0 1,-0.2 3,-0.3 0.773 96.0 69.3 -68.8 -22.2 23.7 21.8 461.5 84 96 A G H S+ 0 0 0 -4,-2.9 5,-2.1 2,-0.2 4,-1.6 0.916 109.1 48.9 -65.0 -40.6 9.9 34.7 460.1 96 108 A I H <5S+ 0 0 14 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.925 109.8 50.9 -61.8 -44.1 6.4 33.7 461.5 97 109 A E H <5S+ 0 0 6 -4,-2.0 -93,-2.1 1,-0.2 -1,-0.2 0.852 113.3 46.2 -64.0 -33.1 7.0 35.7 464.7 98 110 A L H <5S- 0 0 0 -4,-1.9 -1,-0.2 -95,-0.2 -2,-0.2 0.713 114.7-116.7 -80.8 -23.0 8.0 38.7 462.6 99 111 A G T <5 + 0 0 16 -4,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.647 51.3 166.0 94.6 17.7 5.1 38.4 460.2 100 112 A I < - 0 0 1 -5,-2.1 -1,-0.2 -6,-0.2 -43,-0.1 -0.462 21.3-163.1 -64.2 133.7 7.0 37.7 457.0 101 113 A K + 0 0 92 -44,-0.5 75,-2.3 -45,-0.4 2,-0.4 0.728 68.8 34.8 -92.5 -27.7 4.7 36.4 454.3 102 114 A W E +bd 58 176B 32 -45,-1.3 -43,-2.4 -46,-0.2 2,-0.4 -0.999 58.3 175.7-136.8 130.2 7.2 34.9 451.8 103 115 A L E -bd 59 177B 0 73,-2.4 75,-2.4 -2,-0.4 2,-0.5 -0.984 8.1-167.4-136.9 122.4 10.5 33.2 452.4 104 116 A S E -bd 60 178B 0 -45,-2.3 -43,-3.2 -2,-0.4 2,-0.5 -0.931 7.0-165.1-110.9 126.7 12.7 31.5 449.7 105 117 A L E -bd 61 179B 1 73,-2.7 75,-2.1 -2,-0.5 2,-1.3 -0.944 17.1-140.6-117.8 130.9 15.6 29.2 450.7 106 118 A Y E + d 0 180B 20 -45,-2.1 -43,-0.4 -2,-0.5 3,-0.2 -0.669 33.8 161.5 -90.2 88.1 18.4 28.2 448.4 107 119 A A E - 0 0 17 73,-2.0 2,-0.3 -2,-1.3 74,-0.2 0.766 68.4 -7.1 -81.8 -31.6 18.8 24.5 449.4 108 120 A F E - d 0 181B 0 72,-1.3 75,-2.0 19,-0.0 74,-1.4 -0.835 69.1-146.4-165.4 130.0 20.7 23.3 446.3 109 121 A S E > - d 0 183B 3 -2,-0.3 3,-1.7 73,-0.3 4,-0.3 -0.640 30.0-111.4-101.9 160.9 21.5 25.0 443.0 110 122 A T T 3 S+ 0 0 25 73,-1.7 3,-0.3 1,-0.3 74,-0.1 0.673 121.0 52.5 -57.7 -19.2 21.9 23.8 439.4 111 123 A E T > S+ 0 0 30 72,-0.3 3,-1.5 1,-0.2 -1,-0.3 0.535 85.1 82.6 -94.8 -9.9 25.6 24.6 439.8 112 124 A N G X + 0 0 21 -3,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.594 69.5 83.2 -71.8 -8.4 26.1 22.5 443.0 113 125 A W G 3 S+ 0 0 38 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.659 75.4 74.6 -63.7 -16.1 26.4 19.4 440.8 114 126 A K G < S+ 0 0 124 -3,-1.5 -1,-0.3 737,-0.1 740,-0.2 0.604 80.2 94.4 -71.6 -12.6 30.1 20.5 440.4 115 127 A R S < S- 0 0 47 -3,-1.6 738,-0.1 737,-0.2 5,-0.0 -0.180 94.1 -69.4 -74.2 171.2 30.7 19.3 444.0 116 128 A S > - 0 0 48 1,-0.1 4,-2.4 4,-0.1 5,-0.2 -0.221 42.4-116.7 -60.4 151.1 32.1 15.9 444.9 117 129 A P H > S+ 0 0 51 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 115.6 53.4 -55.3 -37.4 29.8 12.8 444.3 118 130 A E H > S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.885 110.9 44.6 -68.8 -39.8 29.8 12.1 448.1 119 131 A E H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 115.1 48.1 -71.2 -40.9 28.7 15.7 449.0 120 132 A V H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.947 111.0 51.0 -63.0 -48.4 26.0 15.8 446.3 121 133 A R H X S+ 0 0 30 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.914 112.6 47.3 -53.4 -49.3 24.7 12.3 447.3 122 134 A F H X S+ 0 0 48 -4,-2.0 4,-3.1 -5,-0.2 -1,-0.2 0.935 110.6 50.4 -56.1 -52.2 24.5 13.6 450.9 123 135 A L H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.875 110.3 51.1 -59.2 -37.7 22.8 16.8 450.0 124 136 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.976 116.2 38.7 -63.8 -53.9 20.2 15.0 448.0 125 137 A G H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.874 115.2 55.4 -62.8 -37.3 19.3 12.5 450.7 126 138 A F H X S+ 0 0 20 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.923 109.1 45.4 -62.2 -46.8 19.6 15.2 453.4 127 139 A N H X S+ 0 0 5 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.903 113.3 51.2 -64.2 -40.1 17.0 17.4 451.6 128 140 A R H X S+ 0 0 4 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.939 114.1 43.8 -57.2 -51.0 14.7 14.4 451.1 129 141 A D H X S+ 0 0 16 -4,-2.7 4,-3.5 2,-0.2 5,-0.2 0.919 110.5 53.9 -65.3 -48.1 15.0 13.5 454.8 130 142 A V H X S+ 0 0 8 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.919 109.0 48.8 -53.4 -46.5 14.6 17.1 456.1 131 143 A V H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.956 115.1 44.4 -63.0 -47.4 11.3 17.6 454.1 132 144 A R H < S+ 0 0 16 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.931 116.9 46.2 -59.3 -47.0 9.9 14.3 455.4 133 145 A R H < S+ 0 0 3 -4,-3.5 839,-0.3 1,-0.2 4,-0.3 0.830 123.2 32.6 -65.6 -33.3 11.1 15.0 459.0 134 146 A R H X S+ 0 0 4 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.546 91.8 92.2-106.1 -10.2 9.8 18.6 459.1 135 147 A R H X S+ 0 0 23 -4,-1.9 4,-2.3 -5,-0.2 5,-0.1 0.864 87.3 47.8 -51.6 -48.9 6.7 18.5 456.9 136 148 A D H > S+ 0 0 50 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.900 113.5 47.7 -68.2 -40.4 4.2 17.8 459.7 137 149 A T H > S+ 0 0 4 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.949 111.0 50.6 -65.2 -49.2 5.5 20.5 462.0 138 150 A L H ><>S+ 0 0 11 -4,-2.7 5,-2.3 1,-0.2 3,-0.6 0.919 109.1 53.1 -54.2 -46.1 5.5 23.1 459.1 139 151 A K H ><5S+ 0 0 93 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.907 107.6 49.9 -55.4 -45.7 1.9 22.2 458.4 140 152 A K H 3<5S+ 0 0 129 -4,-1.8 -104,-2.9 1,-0.3 -1,-0.2 0.701 106.3 56.5 -72.9 -17.5 0.9 22.8 462.0 141 153 A L T <<5S- 0 0 4 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.469 120.7-107.4 -86.7 -4.4 2.6 26.2 462.1 142 154 A G T < 5 + 0 0 2 -3,-1.3 32,-1.9 -4,-0.4 33,-1.1 0.640 66.9 153.9 84.7 15.0 0.5 27.3 459.1 143 155 A V E < -e 175 0B 0 -5,-2.3 2,-0.6 31,-0.2 -1,-0.3 -0.597 36.0-152.0 -73.8 132.8 3.4 27.2 456.6 144 156 A R E -e 176 0B 58 31,-2.8 33,-3.3 -2,-0.3 2,-0.4 -0.957 26.6-180.0 -98.1 115.7 2.7 26.6 452.9 145 157 A I E +e 177 0B 8 -2,-0.6 2,-0.3 20,-0.4 24,-0.2 -0.931 8.9 158.5-124.0 142.9 5.7 24.9 451.5 146 158 A R E -e 178 0B 11 31,-1.6 33,-2.7 -2,-0.4 2,-0.2 -0.986 40.2 -92.7-157.1 161.1 6.6 23.7 448.0 147 159 A W E -e 179 0B 15 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.515 29.5-173.9 -74.2 136.1 9.4 22.8 445.7 148 160 A V E +e 180 0B 0 31,-1.7 33,-1.4 -2,-0.2 2,-0.3 -0.985 42.1 78.3-126.2 123.5 10.9 25.4 443.4 149 161 A G S S- 0 0 5 -2,-0.4 2,-0.3 31,-0.2 34,-0.3 -0.970 74.4 -61.5 166.5-177.9 13.5 24.0 441.0 150 162 A S - 0 0 8 32,-2.9 4,-0.3 -2,-0.3 -2,-0.1 -0.756 31.6-144.7-101.8 141.0 14.5 22.1 437.8 151 163 A R > + 0 0 157 -2,-0.3 3,-0.7 2,-0.1 -1,-0.1 0.873 66.7 96.5 -75.9 -43.4 13.6 18.5 437.3 152 164 A P T 3 S- 0 0 87 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.283 102.6 -2.0 -56.9 129.5 16.6 17.1 435.4 153 165 A R T 3 S+ 0 0 113 1,-0.3 -2,-0.1 -40,-0.0 2,-0.1 -0.058 97.1 124.9 83.7 -32.1 19.2 15.3 437.6 154 166 A L S < S- 0 0 10 -3,-0.7 -1,-0.3 -4,-0.3 2,-0.1 -0.374 74.3-103.6 -58.9 132.1 17.3 16.1 440.9 155 167 A W >> - 0 0 5 1,-0.2 4,-1.4 -3,-0.1 3,-1.3 -0.377 21.3-137.3 -57.0 125.5 16.5 12.9 442.8 156 168 A R H 3> S+ 0 0 118 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.852 102.0 65.7 -51.9 -34.8 12.9 12.0 442.3 157 169 A S H 3> S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.831 100.6 48.9 -59.7 -33.0 12.7 11.2 446.1 158 170 A V H <> S+ 0 0 0 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.904 112.6 47.3 -71.0 -44.7 13.3 14.8 446.9 159 171 A I H X S+ 0 0 12 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.921 111.9 52.1 -59.3 -47.7 10.6 15.9 444.5 160 172 A N H X S+ 0 0 84 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.875 108.4 48.5 -58.5 -43.1 8.2 13.3 445.9 161 173 A E H X S+ 0 0 23 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.925 114.0 47.0 -66.1 -43.0 8.7 14.3 449.6 162 174 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.839 106.5 58.4 -67.0 -34.5 8.1 17.9 448.6 163 175 A A H X S+ 0 0 45 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.908 108.2 46.5 -57.7 -44.0 5.0 17.0 446.6 164 176 A V H X S+ 0 0 69 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.925 112.5 50.2 -64.9 -43.8 3.5 15.4 449.7 165 177 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -20,-0.4 0.871 110.3 50.7 -58.9 -40.6 4.5 18.6 451.7 166 178 A E H X S+ 0 0 67 -4,-2.6 4,-0.7 2,-0.2 3,-0.5 0.935 111.9 45.8 -64.5 -47.5 2.9 20.8 449.0 167 179 A E H >< S+ 0 0 119 -4,-2.3 3,-0.8 1,-0.2 4,-0.2 0.931 113.0 49.8 -64.2 -47.2 -0.4 18.8 449.1 168 180 A M H 3< S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.683 122.0 33.6 -57.6 -30.4 -0.6 18.7 452.9 169 181 A T H >< S+ 0 0 0 -4,-1.1 3,-1.7 -3,-0.5 -1,-0.2 0.307 80.0 111.4-115.9 9.8 -0.0 22.5 453.2 170 182 A K T << S+ 0 0 118 -3,-0.8 -2,-0.1 -4,-0.7 -1,-0.1 0.720 83.3 46.4 -62.4 -23.8 -1.7 23.9 450.1 171 183 A S T 3 S+ 0 0 104 -4,-0.2 -1,-0.3 -3,-0.1 -27,-0.1 0.460 88.3 108.8 -98.4 -2.5 -4.5 25.6 452.1 172 184 A N < + 0 0 40 -3,-1.7 -29,-0.1 -29,-0.2 -28,-0.1 -0.356 38.5 176.2 -69.8 154.5 -2.1 27.2 454.8 173 185 A D + 0 0 124 -31,-0.1 3,-0.2 -30,-0.1 -30,-0.1 0.338 49.0 96.8-146.0 11.2 -1.6 30.9 454.7 174 186 A V S S- 0 0 35 -32,-1.9 2,-0.3 1,-0.3 -31,-0.2 0.923 105.2 -16.1 -68.8 -43.5 0.6 32.1 457.7 175 187 A I E - 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