==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-SEP-11 4A2U . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROB . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.T.GALLAGHER,P.T.REDDY . 1780 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1278 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 345 19.4 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 . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 91 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 584 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.3 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 14 8 2 3 14 2 6 1 0 3 1 0 7 0 0 0 0 0 0 0 0 2 5 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 21 10 14 5 15 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 2 21 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 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 0 114 0, 0.0 4,-1.5 0, 0.0 3,-1.4 0.000 360.0 360.0 360.0 -47.6 83.2 50.0 1.2 2 2 A D T 34 + 0 0 65 1,-0.3 4,-0.3 2,-0.2 21,-0.0 0.581 360.0 58.7 -66.9 -16.9 79.6 51.0 2.2 3 3 A E T 34 S+ 0 0 137 2,-0.2 4,-0.4 1,-0.1 -1,-0.3 0.665 105.6 49.2 -89.1 -17.8 80.6 51.8 5.9 4 4 A I T <4 S+ 0 0 51 -3,-1.4 3,-0.5 2,-0.2 -2,-0.2 0.796 111.3 50.6 -78.9 -36.0 83.2 54.4 4.6 5 5 A L S >< S+ 0 0 2 -4,-1.5 3,-0.7 1,-0.2 -2,-0.2 0.678 102.6 62.6 -70.7 -18.8 80.4 55.8 2.5 6 6 A A T 3 S+ 0 0 28 -4,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.770 99.7 52.1 -76.5 -27.5 78.2 55.8 5.6 7 7 A R T 3 S+ 0 0 90 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 -0.038 78.0 115.8 -99.5 33.2 80.4 58.3 7.3 8 8 A A S < S- 0 0 11 -3,-0.7 69,-0.2 1,-0.1 -1,-0.2 0.859 76.5-124.7 -75.4 -40.5 80.3 60.7 4.4 9 9 A G S S+ 0 0 10 -3,-0.3 3,-0.4 -4,-0.1 117,-0.1 -0.339 103.9 69.3 120.0 -50.6 78.5 63.7 5.9 10 10 A I S S+ 0 0 0 1,-0.2 3,-0.3 2,-0.1 112,-0.2 0.878 105.2 46.3 -55.7 -37.9 75.7 63.9 3.3 11 11 A F S > S+ 0 0 0 1,-0.2 3,-2.0 -6,-0.2 -1,-0.2 0.557 76.5 100.9 -92.6 -7.1 74.5 60.7 4.9 12 12 A Q T 3 S+ 0 0 45 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.298 88.6 47.6 -61.6 13.7 74.7 61.4 8.6 13 13 A G T 3 S+ 0 0 4 -3,-0.3 470,-0.5 -2,-0.1 -1,-0.3 0.398 90.7 90.4-138.2 3.4 71.0 62.1 8.6 14 14 A V S < S- 0 0 1 -3,-2.0 4,-0.1 1,-0.1 5,-0.1 -0.654 79.4 -88.2-109.5 160.3 69.3 59.2 6.7 15 15 A E >> - 0 0 57 -2,-0.2 4,-1.8 1,-0.1 3,-1.6 -0.255 31.3-124.8 -57.9 147.2 67.8 55.8 7.7 16 16 A P H 3> S+ 0 0 70 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.911 117.3 54.4 -56.8 -42.0 70.2 52.8 7.8 17 17 A S H 34 S+ 0 0 94 1,-0.2 -2,-0.1 2,-0.1 4,-0.1 0.115 109.8 50.2 -77.9 20.3 67.7 51.2 5.4 18 18 A A H <> S+ 0 0 7 -3,-1.6 4,-2.3 2,-0.1 5,-0.3 0.630 90.6 68.2-122.8 -39.2 68.0 54.3 3.1 19 19 A I H X S+ 0 0 18 -4,-1.8 4,-1.4 1,-0.3 -2,-0.1 0.869 101.3 55.3 -50.6 -38.3 71.8 54.8 2.7 20 20 A A H >X S+ 0 0 53 -4,-0.8 4,-1.8 2,-0.2 3,-0.6 0.952 105.1 51.4 -59.5 -52.0 71.6 51.6 0.7 21 21 A A H 3> S+ 0 0 46 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.897 115.8 41.3 -46.6 -46.3 68.9 53.1 -1.5 22 22 A L H 3< S+ 0 0 1 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.647 108.3 62.1 -82.2 -15.1 71.2 56.1 -2.1 23 23 A T H << S+ 0 0 28 -4,-1.4 3,-0.3 -3,-0.6 -1,-0.2 0.839 99.6 52.5 -80.0 -36.3 74.3 54.0 -2.5 24 24 A K H < S+ 0 0 183 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.964 104.1 56.8 -59.0 -56.4 73.0 52.1 -5.6 25 25 A Q S < S+ 0 0 129 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.728 92.2 98.5 -46.3 -28.9 72.3 55.4 -7.4 26 26 A L S S- 0 0 13 -4,-0.4 78,-0.2 -3,-0.3 -3,-0.0 -0.319 71.6-132.6 -74.0 152.7 75.9 56.3 -6.9 27 27 A Q E -A 103 0A 110 76,-1.6 76,-1.6 -2,-0.0 -1,-0.1 -0.894 15.4-140.8-113.9 104.1 78.6 55.8 -9.6 28 28 A P E +A 102 0A 84 0, 0.0 2,-0.3 0, 0.0 74,-0.2 -0.275 25.0 177.6 -65.5 145.9 81.9 54.1 -8.6 29 29 A V E -A 101 0A 35 72,-2.2 72,-2.7 2,-0.0 2,-0.4 -0.988 22.3-150.6-152.1 149.1 85.2 55.5 -10.1 30 30 A D E -A 100 0A 99 -2,-0.3 70,-0.2 70,-0.3 68,-0.0 -0.823 14.9-174.3-130.6 90.9 88.9 54.8 -9.9 31 31 A F E -A 99 0A 26 68,-1.1 68,-4.0 -2,-0.4 2,-0.1 -0.627 20.3-131.2 -80.5 143.5 91.3 57.7 -10.4 32 32 A P > - 0 0 54 0, 0.0 3,-0.6 0, 0.0 63,-0.2 -0.405 40.5 -73.7 -80.9 166.1 95.1 57.0 -10.5 33 33 A R T 3 S+ 0 0 165 1,-0.2 65,-0.1 63,-0.1 63,-0.1 -0.285 119.5 23.1 -55.4 146.1 97.7 59.0 -8.5 34 34 A G T 3 S+ 0 0 51 61,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.884 88.2 144.9 56.6 44.8 98.3 62.4 -10.0 35 35 A H < - 0 0 75 -3,-0.6 60,-2.2 62,-0.2 2,-0.8 -0.927 47.4-137.8-109.4 139.3 95.0 62.7 -11.8 36 36 A T E -D 94 0B 72 -2,-0.4 58,-0.2 58,-0.2 3,-0.1 -0.871 13.5-170.0 -93.5 108.4 93.1 66.0 -12.1 37 37 A V E S- 0 0 20 56,-2.8 2,-0.3 -2,-0.8 -1,-0.2 0.839 73.4 -31.9 -67.6 -37.3 89.4 65.2 -11.4 38 38 A F E S-D 93 0B 16 55,-0.8 55,-1.6 -3,-0.1 2,-0.4 -0.924 71.2-117.7-165.9 177.5 88.5 68.7 -12.6 39 39 A A > - 0 0 31 -2,-0.3 3,-2.8 53,-0.2 50,-0.4 -0.986 33.1 -87.9-138.3 141.5 90.2 72.0 -12.5 40 40 A E T 3 S+ 0 0 69 -2,-0.4 50,-0.2 18,-0.3 52,-0.1 -0.133 116.8 28.4 -36.0 112.4 89.7 75.5 -11.1 41 41 A G T 3 S+ 0 0 47 48,-1.2 -1,-0.3 1,-0.4 3,-0.1 -0.068 89.6 116.4 123.4 -32.0 87.6 77.2 -13.8 42 42 A E S < S- 0 0 86 -3,-2.8 47,-1.8 46,-0.1 -1,-0.4 -0.230 72.9 -96.7 -66.7 154.0 85.7 74.3 -15.4 43 43 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -4,-0.2 -0.308 42.4-151.8 -62.7 158.6 81.9 73.9 -15.4 44 44 A G + 0 0 16 43,-0.5 43,-0.3 38,-0.2 3,-0.0 -0.943 40.4 148.9-148.5 120.0 80.7 71.6 -12.6 45 45 A D + 0 0 85 -2,-0.4 61,-2.0 41,-0.1 2,-0.3 0.058 64.1 80.1-126.2 19.1 77.6 69.5 -12.4 46 46 A R E -B 105 0A 58 59,-0.3 2,-0.3 33,-0.2 59,-0.2 -0.990 51.4-166.6-149.6 136.7 79.2 66.8 -10.2 47 47 A L E -B 104 0A 0 57,-3.0 57,-1.8 -2,-0.3 2,-0.4 -0.884 17.7-146.1-126.7 149.8 80.1 66.1 -6.6 48 48 A Y E -BC 103 78A 23 30,-2.7 30,-2.7 -2,-0.3 2,-0.5 -0.945 14.1-162.1-130.8 141.0 82.4 63.4 -5.2 49 49 A I E -BC 102 77A 2 53,-3.6 53,-1.6 -2,-0.4 2,-0.7 -0.979 25.5-135.1-118.8 117.6 82.7 61.1 -2.2 50 50 A I E -B 101 0A 0 26,-2.0 25,-3.2 -2,-0.5 26,-0.3 -0.617 19.0-175.8 -70.0 110.7 86.2 59.6 -1.7 51 51 A I E S- 0 0 8 49,-1.1 2,-0.3 -2,-0.7 50,-0.2 0.947 74.2 -22.1 -63.0 -53.4 85.9 55.9 -0.8 52 52 A S E S+B 100 0A 52 48,-2.6 48,-2.2 22,-0.1 -1,-0.3 -0.989 101.3 59.6-162.9 159.5 89.7 55.8 -0.4 53 53 A G S S- 0 0 15 -2,-0.3 2,-0.3 46,-0.2 46,-0.2 -0.504 74.6 -94.3 106.3 172.7 92.9 57.6 -1.4 54 54 A K - 0 0 32 44,-0.3 42,-1.8 -2,-0.2 43,-0.4 -0.942 32.5-163.3-124.1 154.5 93.6 61.2 -0.7 55 55 A V E -EF 72 95B 1 17,-2.3 17,-3.1 -2,-0.3 2,-0.5 -0.992 11.7-138.8-135.8 141.1 93.0 64.2 -2.8 56 56 A K E -EF 71 94B 30 38,-3.3 38,-2.5 -2,-0.4 2,-0.6 -0.885 7.8-150.7-102.4 131.4 94.4 67.8 -2.7 57 57 A I E -EF 70 93B 14 13,-2.4 12,-2.1 -2,-0.5 13,-1.1 -0.892 32.1-179.4 -98.4 121.0 92.1 70.7 -3.3 58 58 A G E -EF 68 92B 0 34,-2.0 34,-3.0 -2,-0.6 2,-0.4 -0.881 30.1-155.6-133.5 153.5 94.2 73.5 -4.8 59 59 A R E -E 67 0B 43 8,-2.3 8,-2.4 -2,-0.3 2,-0.4 -0.984 18.1-144.8-126.0 137.1 94.3 77.0 -6.1 60 60 A R E -E 66 0B 155 -2,-0.4 6,-0.3 6,-0.3 5,-0.1 -0.848 12.1-136.4-104.2 132.6 96.9 78.4 -8.5 61 61 A A > - 0 0 7 4,-6.3 3,-2.4 -2,-0.4 303,-0.0 -0.527 26.1-114.1 -77.7 150.1 98.3 81.9 -8.4 62 62 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.884 120.9 62.2 -42.5 -43.3 98.8 84.1 -11.5 63 63 A D T 3 S- 0 0 110 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 0.373 124.8-107.3 -63.0 2.8 102.5 83.7 -10.6 64 64 A G S < S+ 0 0 28 -3,-2.4 -1,-0.1 1,-0.3 2,-0.1 0.250 81.9 131.0 81.3 -12.9 102.1 80.0 -11.1 65 65 A R - 0 0 117 -5,-0.1 -4,-6.3 303,-0.0 2,-0.4 -0.340 45.3-147.9 -71.2 160.2 102.4 79.5 -7.3 66 66 A E E -E 60 0B 38 -6,-0.3 2,-0.5 -3,-0.1 -6,-0.3 -0.991 10.6-156.8-141.8 123.4 99.7 77.3 -5.7 67 67 A N E -E 59 0B 2 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.7 -0.922 20.4-134.8-105.8 132.0 98.0 77.3 -2.2 68 68 A L E -E 58 0B 1 114,-0.5 -10,-0.2 -2,-0.5 3,-0.1 -0.738 13.4-167.6 -90.0 116.8 96.5 74.0 -1.0 69 69 A L E - 0 0 38 -12,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.929 63.2 -35.1 -70.3 -47.3 93.1 74.6 0.5 70 70 A T E -E 57 0B 61 -13,-1.1 -13,-2.4 2,-0.0 2,-0.4 -0.981 50.1-114.3-163.9 165.7 92.8 71.1 2.1 71 71 A I E -E 56 0B 12 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.922 32.9-154.0-108.7 141.0 93.7 67.4 1.9 72 72 A M E +E 55 0B 13 -17,-3.1 -17,-2.3 -2,-0.4 3,-0.1 -0.933 17.7 165.3-127.0 134.0 90.8 64.9 1.5 73 73 A G > - 0 0 0 -2,-0.4 3,-2.2 -19,-0.2 -23,-0.3 -0.446 48.0 -21.1-129.9-164.1 90.4 61.3 2.4 74 74 A P T 3 S+ 0 0 40 0, 0.0 -23,-0.2 0, 0.0 -1,-0.2 -0.190 126.7 15.3 -52.8 131.7 87.9 58.5 2.9 75 75 A S T 3 S+ 0 0 12 -25,-3.2 -24,-0.1 1,-0.3 2,-0.1 0.106 93.2 133.7 89.6 -18.0 84.3 59.8 3.5 76 76 A D < - 0 0 31 -3,-2.2 -26,-2.0 -26,-0.3 2,-0.4 -0.377 46.1-145.9 -68.3 139.6 85.1 63.3 2.3 77 77 A M E +C 49 0A 3 -69,-0.2 2,-0.3 -28,-0.2 -28,-0.2 -0.907 24.2 172.5-101.8 132.7 82.7 65.1 -0.1 78 78 A F E +C 48 0A 6 -30,-2.7 -30,-2.7 -2,-0.4 15,-0.0 -0.998 50.7 40.3-144.0 150.7 84.2 67.5 -2.7 79 79 A G S S+ 0 0 11 -2,-0.3 3,-0.2 -32,-0.2 -33,-0.2 0.688 72.3 122.9 87.8 23.4 83.0 69.5 -5.7 80 80 A E >> + 0 0 10 1,-0.2 4,-1.6 -3,-0.1 3,-0.9 0.663 53.3 76.9 -82.3 -22.9 79.8 70.5 -4.0 81 81 A L H 3> S+ 0 0 15 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.767 91.2 51.7 -68.3 -24.2 80.3 74.3 -4.3 82 82 A S H 34 S+ 0 0 2 -3,-0.2 5,-0.4 -36,-0.2 -1,-0.3 0.637 106.6 55.4 -90.2 -12.7 79.4 74.4 -8.0 83 83 A I H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.2 0.883 111.7 41.3 -73.3 -44.3 76.1 72.6 -7.3 84 84 A F H < S+ 0 0 1 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.709 133.1 20.4 -84.1 -20.3 74.9 75.1 -4.7 85 85 A D S < S- 0 0 8 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.618 97.4-135.4-147.5 74.2 76.0 78.3 -6.4 86 86 A P + 0 0 68 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.011 59.1 89.4 -54.4 137.2 76.3 77.2 -9.9 87 87 A G S S- 0 0 33 -5,-0.4 -43,-0.5 -43,-0.3 3,-0.1 -0.934 77.7 -30.0 166.1-161.4 79.5 78.5 -11.6 88 88 A P S S- 0 0 66 0, 0.0 2,-0.1 0, 0.0 -46,-0.1 -0.336 70.6 -86.4 -80.2 164.7 83.0 77.3 -12.1 89 89 A R - 0 0 13 -47,-1.8 -48,-1.2 -50,-0.4 3,-0.1 -0.485 30.7-147.0 -60.2 137.8 85.1 75.2 -9.8 90 90 A T S S+ 0 0 14 1,-0.2 2,-0.3 -50,-0.2 -1,-0.1 0.489 77.9 4.9 -83.2 -4.7 86.8 77.5 -7.2 91 91 A S S S- 0 0 13 -32,-0.1 -32,-0.2 -52,-0.0 -1,-0.2 -0.971 81.5 -94.6-175.1 153.5 89.8 75.2 -7.0 92 92 A S E - F 0 58B 22 -34,-3.0 -34,-2.0 -2,-0.3 2,-0.5 -0.421 23.9-146.9 -84.0 159.1 91.3 72.0 -8.6 93 93 A A E +DF 38 57B 0 -55,-1.6 -56,-2.8 -36,-0.2 -55,-0.8 -0.938 26.1 170.0-131.0 109.1 91.0 68.5 -7.2 94 94 A T E -DF 36 56B 19 -38,-2.5 -38,-3.3 -2,-0.5 -58,-0.2 -0.983 29.7-122.5-132.2 126.1 94.0 66.4 -7.8 95 95 A T E - F 0 55B 4 -60,-2.2 -61,-0.4 -2,-0.4 -40,-0.2 -0.192 14.2-170.7 -62.1 151.5 94.9 63.0 -6.4 96 96 A I S S+ 0 0 14 -42,-1.8 2,-0.3 -63,-0.1 -41,-0.1 0.019 81.1 17.8-128.8 16.4 98.0 62.4 -4.4 97 97 A T S S- 0 0 27 -43,-0.4 -62,-0.2 -65,-0.2 -1,-0.1 -0.930 106.3 -67.8-162.6 171.7 97.5 58.6 -4.5 98 98 A E - 0 0 146 -2,-0.3 2,-0.4 -65,-0.1 -44,-0.3 -0.431 61.8-159.9 -59.1 147.7 95.4 56.2 -6.5 99 99 A V E -A 31 0A 5 -68,-4.0 -68,-1.1 -46,-0.2 2,-0.5 -0.999 26.1-163.4-138.8 136.6 91.8 56.9 -5.6 100 100 A R E +AB 30 52A 123 -48,-2.2 -48,-2.6 -2,-0.4 -49,-1.1 -0.999 33.0 162.2-114.3 130.6 88.5 55.1 -5.7 101 101 A A E -AB 29 50A 2 -72,-2.7 -72,-2.2 -2,-0.5 2,-0.3 -0.706 32.1-128.1-138.4 179.8 85.6 57.5 -5.4 102 102 A V E -AB 28 49A 4 -53,-1.6 -53,-3.6 -74,-0.2 2,-0.3 -0.999 20.9-158.1-146.2 134.4 81.9 57.9 -6.0 103 103 A S E +AB 27 48A 3 -76,-1.6 -76,-1.6 -2,-0.3 2,-0.3 -0.829 13.7 176.6-124.6 156.8 80.0 60.7 -7.8 104 104 A M E - B 0 47A 8 -57,-1.8 -57,-3.0 -2,-0.3 2,-0.2 -0.940 22.0-135.3-154.5 154.0 76.6 62.2 -8.0 105 105 A D E > - B 0 46A 42 -2,-0.3 4,-3.9 -59,-0.2 -59,-0.3 -0.716 30.2 -89.7-127.5 169.9 75.3 65.1 -10.0 106 106 A R H > S+ 0 0 65 -61,-2.0 4,-2.5 1,-0.3 5,-0.2 0.833 125.0 39.8 -49.2 -45.5 73.2 68.3 -9.6 107 107 A D H > S+ 0 0 108 2,-0.2 4,-2.2 -62,-0.2 -1,-0.3 0.909 116.4 49.6 -72.5 -41.7 69.9 66.6 -10.6 108 108 A A H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.941 114.7 47.5 -56.3 -45.3 70.7 63.4 -8.7 109 109 A L H X S+ 0 0 1 -4,-3.9 4,-1.6 1,-0.2 -2,-0.2 0.911 111.1 48.6 -64.7 -43.4 71.5 65.6 -5.8 110 110 A R H X S+ 0 0 104 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.785 108.7 54.6 -68.2 -34.2 68.4 67.8 -6.1 111 111 A S H X S+ 0 0 84 -4,-2.2 4,-2.0 2,-0.2 3,-0.5 0.946 107.7 50.0 -64.0 -48.6 66.2 64.7 -6.3 112 112 A W H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.844 108.1 53.4 -54.8 -39.8 67.6 63.4 -3.1 113 113 A I H < S+ 0 0 18 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.775 109.7 46.0 -70.3 -30.4 67.0 66.6 -1.3 114 114 A A H < S+ 0 0 88 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.803 116.4 48.6 -80.0 -28.6 63.4 66.8 -2.2 115 115 A D H < S+ 0 0 103 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.865 130.6 14.8 -72.1 -39.4 63.2 63.1 -1.2 116 116 A R >< - 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0 0 59 -2,-0.4 4,-1.2 1,-0.1 5,-0.1 0.192 40.6 -95.5 -52.3 172.0 62.7 37.4 56.2 1030 146 E V T 4 S+ 0 0 44 1,-0.2 -1,-0.1 2,-0.2 38,-0.0 0.708 123.3 47.1 -71.1 -23.9 64.1 37.9 52.6 1031 147 E P T >> S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 3,-0.7 0.824 103.6 60.8 -80.3 -34.9 65.0 34.1 52.3 1032 148 E G H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.865 111.8 38.9 -58.4 -40.5 61.7 32.7 53.6 1033 149 E R H 3X S+ 0 0 29 -4,-1.2 4,-0.8 2,-0.2 -1,-0.3 0.372 105.6 66.9 -91.0 -1.8 59.8 34.4 50.8 1034 150 E V H <> S+ 0 0 5 -3,-0.7 4,-1.0 -5,-0.1 -2,-0.2 0.828 107.0 43.5 -77.3 -37.8 62.6 33.6 48.4 1035 151 E A H >X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 3,-1.5 0.997 111.3 51.5 -59.1 -67.3 61.5 30.0 49.0 1036 152 E K H 3X S+ 0 0 64 -4,-1.7 4,-3.6 1,-0.3 5,-0.2 0.743 107.6 52.8 -49.0 -36.5 57.8 30.6 48.7 1037 153 E Q H 3X S+ 0 0 29 -4,-0.8 4,-0.6 2,-0.2 -1,-0.3 0.832 111.6 44.5 -73.4 -34.4 58.0 32.4 45.4 1038 154 E L H X S+ 0 0 36 -4,-2.7 4,-4.0 2,-0.2 3,-1.2 0.977 112.9 42.6 -55.5 -63.0 57.4 27.2 45.4 1040 156 E Q H 3< S+ 0 0 70 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.623 115.3 52.7 -62.0 -16.8 54.3 29.1 44.2 1041 157 E L H 3X S+ 0 0 6 -4,-0.6 4,-1.1 -5,-0.2 -1,-0.3 0.640 116.3 39.6 -87.7 -20.6 56.1 29.4 40.8 1042 158 E A H - 0 0 74 1,-0.0 4,-2.8 -3,-0.0 5,-0.1 -0.918 32.2 -96.5-150.1 174.4 64.6 37.5 35.2 1061 177 E Q H > S+ 0 0 75 -2,-0.3 4,-1.4 2,-0.2 5,-0.1 0.787 131.2 55.9 -57.6 -33.4 66.6 37.8 38.4 1062 178 E E H > S+ 0 0 60 2,-0.2 4,-3.4 3,-0.1 3,-0.3 0.970 107.0 46.5 -62.2 -56.8 64.8 41.2 38.3 1063 179 E E H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 6,-0.2 0.935 108.6 53.9 -50.2 -55.1 61.4 39.5 38.2 1064 180 E I H X S+ 0 0 20 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.832 115.4 41.4 -56.4 -34.3 62.2 37.0 40.9 1065 181 E A H <>S+ 0 0 3 -4,-1.4 5,-1.7 -3,-0.3 4,-0.4 0.958 111.6 55.6 -67.8 -56.5 63.2 39.9 43.2 1066 182 E Q H <5S+ 0 0 10 -4,-3.4 3,-0.3 3,-0.3 -2,-0.2 0.805 108.0 50.6 -45.8 -39.9 60.2 42.1 42.0 1067 183 E L H <5S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.976 113.1 41.0 -66.3 -58.7 57.8 39.3 43.0 1068 184 E V T <5S- 0 0 12 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.404 119.5-121.0 -68.6 4.7 59.2 38.8 46.5 1069 185 E G T 5 + 0 0 11 -4,-0.4 -3,-0.3 -3,-0.3 2,-0.2 0.932 68.7 117.2 54.3 57.1 59.2 42.6 46.3 1070 186 E A < - 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