==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-DEC-10 3Q3W . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDRATASE SMALL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR J.OSIPIUK,M.GU,L.PAPAZISI,W.F.ANDERSON,A.JOACHIMIAK,CENTER F . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0.6 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 . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 4 0 0 0 1 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 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 0 A A 0 0 97 0, 0.0 2,-0.3 0, 0.0 175,-0.1 0.000 360.0 360.0 360.0 114.5 24.3 25.1 18.8 2 1 A X - 0 0 27 173,-0.1 2,-0.4 116,-0.1 116,-0.1 -0.735 360.0-168.0-108.4 148.3 23.5 21.7 20.2 3 2 A Q - 0 0 94 -2,-0.3 172,-0.2 173,-0.1 173,-0.1 -0.983 34.4-101.9-129.0 141.1 25.2 18.4 20.3 4 3 A K - 0 0 106 -2,-0.4 2,-0.4 171,-0.2 169,-0.2 -0.341 32.6-172.2 -60.8 133.7 23.7 15.1 21.2 5 4 A F + 0 0 1 167,-2.6 170,-0.1 164,-0.2 3,-0.1 -0.969 31.0 131.5-128.2 115.9 24.4 13.7 24.7 6 5 A I S S- 0 0 68 -2,-0.4 142,-3.8 1,-0.4 143,-0.5 0.522 80.8 -2.9-118.1 -73.3 23.2 10.1 25.5 7 6 A I E +A 147 0A 84 140,-0.2 -1,-0.4 141,-0.1 2,-0.4 -0.970 68.6 178.5-125.5 131.5 26.1 8.3 27.1 8 7 A H E -A 146 0A 35 138,-2.7 138,-2.7 -2,-0.4 2,-0.4 -0.991 8.4-177.4-137.9 133.5 29.6 9.9 27.7 9 8 A K E +A 145 0A 131 -2,-0.4 2,-0.3 136,-0.2 136,-0.2 -0.996 29.2 123.7-125.7 128.0 32.7 8.6 29.3 10 9 A G E -A 144 0A 7 134,-2.0 134,-2.4 -2,-0.4 2,-0.2 -0.985 60.4 -54.0-168.1 179.6 35.8 10.7 29.7 11 10 A I E -Ab 143 71A 39 59,-0.6 61,-2.8 -2,-0.3 62,-1.9 -0.452 49.0-154.5 -68.3 124.4 38.4 12.3 31.8 12 11 A A E - b 0 73A 0 130,-2.3 62,-0.2 -2,-0.2 89,-0.0 -0.849 4.9-160.6-104.6 146.3 37.0 14.4 34.7 13 12 A C E - b 0 74A 0 60,-2.3 62,-2.2 -2,-0.4 2,-0.4 -0.991 12.0-137.9-130.4 122.7 38.8 17.3 36.3 14 13 A P E - b 0 75A 0 0, 0.0 2,-0.5 0, 0.0 62,-0.2 -0.660 13.7-171.3 -86.2 134.1 38.0 18.7 39.7 15 14 A L E - b 0 76A 2 60,-3.5 2,-2.7 -2,-0.4 62,-0.6 -0.868 10.9-157.1-123.9 98.1 38.0 22.4 40.2 16 15 A E + 0 0 86 -2,-0.5 2,-0.4 60,-0.2 60,-0.1 -0.355 52.7 111.6 -83.2 64.3 37.7 23.1 43.9 17 16 A Y - 0 0 85 -2,-2.7 60,-1.8 60,-0.0 3,-0.3 -0.986 54.3-145.3-131.6 143.1 36.3 26.6 43.7 18 17 A A S S+ 0 0 38 -2,-0.4 61,-0.2 1,-0.2 3,-0.2 -0.683 81.2 21.4 -97.8 160.8 32.8 27.9 44.5 19 18 A N S S- 0 0 82 59,-3.4 2,-0.3 -2,-0.3 -1,-0.2 0.825 73.9-171.2 52.4 38.1 31.0 30.6 42.6 20 19 A I - 0 0 0 58,-0.4 61,-2.5 -3,-0.3 62,-1.0 -0.485 21.0-149.9 -58.7 118.5 33.1 30.1 39.5 21 20 A D B >> -g 82 0B 52 -2,-0.3 4,-2.3 60,-0.2 3,-1.0 -0.523 24.2-102.3-101.5 170.1 31.9 33.2 37.6 22 21 A T H 3> S+ 0 0 7 60,-2.0 4,-2.6 1,-0.3 61,-0.1 0.824 120.7 54.6 -64.2 -31.6 31.4 34.0 33.9 23 22 A D H 34 S+ 0 0 57 2,-0.2 23,-0.3 1,-0.2 -1,-0.3 0.787 107.7 48.9 -70.5 -31.3 34.6 36.1 34.0 24 23 A Q H <4 S+ 0 0 45 -3,-1.0 23,-0.3 2,-0.2 22,-0.3 0.870 111.9 50.2 -69.8 -40.5 36.7 33.2 35.3 25 24 A I H < S- 0 0 0 -4,-2.3 19,-2.2 1,-0.3 20,-0.4 0.948 138.3 -12.6 -62.4 -48.0 35.1 31.1 32.6 26 25 A I S < S- 0 0 0 -4,-2.6 -1,-0.3 17,-0.2 -2,-0.2 -0.839 75.7-128.4-160.8 117.2 36.0 33.6 29.8 27 26 A P > - 0 0 4 0, 0.0 3,-1.5 0, 0.0 -3,-0.1 -0.159 27.3-107.3 -70.5 163.1 37.1 37.1 30.3 28 27 A K G > S+ 0 0 94 1,-0.3 3,-1.3 2,-0.2 -5,-0.0 0.710 109.4 70.5 -66.1 -29.7 35.5 40.2 28.6 29 28 A Q G 3 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.657 100.8 48.1 -62.6 -13.5 38.4 40.8 26.2 30 29 A F G < S+ 0 0 33 -3,-1.5 2,-1.8 1,-0.1 -1,-0.2 0.226 73.0 113.5-108.1 8.2 37.5 37.6 24.2 31 30 A L < + 0 0 0 -3,-1.3 307,-2.0 306,-0.0 -1,-0.1 -0.236 44.2 172.5 -86.8 53.2 33.7 38.0 23.8 32 31 A L B -h 338 0C 44 -2,-1.8 3,-0.2 305,-0.2 307,-0.2 -0.339 34.0-141.1 -64.8 136.4 33.8 38.5 20.1 33 32 A A S S+ 0 0 23 305,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.809 91.0 21.4 -71.0 -33.2 30.4 38.5 18.5 34 33 A V S S+ 0 0 101 304,-0.3 2,-0.3 0, 0.0 -1,-0.3 -0.992 73.8 164.5-136.4 124.6 31.7 36.5 15.6 35 34 A S - 0 0 41 -2,-0.4 4,-0.1 -3,-0.2 0, 0.0 -0.927 29.9-154.8-133.5 166.3 34.7 34.3 15.5 36 35 A K S S+ 0 0 196 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.570 91.3 49.5-105.6 -14.7 36.1 31.6 13.3 37 36 A Q S S- 0 0 174 1,-0.3 3,-0.3 2,-0.0 -1,-0.0 0.458 97.7-125.0-115.6 -6.4 38.3 29.7 15.8 38 37 A G - 0 0 23 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 -0.210 23.1 -94.7 75.8-177.1 36.1 29.1 18.9 39 38 A F S > S+ 0 0 16 52,-0.3 3,-1.4 1,-0.1 4,-0.4 0.262 83.3 110.2-124.5 7.1 36.8 30.1 22.4 40 39 A G G > S+ 0 0 10 1,-0.3 3,-1.3 -3,-0.3 -1,-0.1 0.841 74.2 60.7 -62.9 -34.8 38.4 27.1 24.0 41 40 A K G 3 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.765 105.5 50.2 -61.7 -23.4 41.9 28.6 24.2 42 41 A H G X S+ 0 0 31 -3,-1.4 3,-1.7 -12,-0.1 -1,-0.2 0.448 78.9 126.3 -94.8 -2.5 40.4 31.3 26.5 43 42 A L T < S- 0 0 0 -3,-1.3 -17,-0.2 -4,-0.4 -18,-0.1 -0.380 87.6 -4.1 -61.9 137.0 38.6 29.1 28.8 44 43 A F T >> S+ 0 0 0 -19,-2.2 4,-2.2 -20,-0.3 3,-1.0 0.723 85.5 166.9 53.4 32.0 39.6 29.7 32.5 45 44 A H H <> + 0 0 14 -3,-1.7 4,-2.1 -20,-0.4 -2,-0.1 0.781 67.7 45.8 -44.7 -50.9 42.1 32.3 31.2 46 45 A D H 34 S+ 0 0 93 -23,-0.3 -1,-0.3 -22,-0.3 -22,-0.1 0.793 121.3 39.1 -74.7 -27.5 42.9 34.0 34.5 47 46 A L H <4 S+ 0 0 33 -3,-1.0 -1,-0.2 -23,-0.3 -2,-0.2 0.704 119.7 48.4 -81.7 -23.7 43.3 30.7 36.4 48 47 A R H < S+ 0 0 29 -4,-2.2 10,-2.9 -6,-0.1 2,-0.4 0.808 104.9 49.1 -97.2 -28.9 45.0 28.9 33.4 49 48 A Y B < -O 57 0D 18 -4,-2.1 8,-0.2 8,-0.3 -1,-0.1 -0.882 49.2-163.6-121.5 141.1 47.8 31.2 32.3 50 49 A L S S+ 0 0 115 6,-2.8 7,-0.1 -2,-0.4 2,-0.1 0.656 80.5 53.5 -89.0 -24.5 50.6 33.1 34.1 51 50 A D S S- 0 0 34 5,-0.8 3,-0.3 1,-0.0 -2,-0.1 -0.329 87.3-114.7-100.4-175.2 51.3 35.4 31.2 52 51 A D S S+ 0 0 140 1,-0.1 -1,-0.0 -2,-0.1 -3,-0.0 0.391 105.7 59.6-101.1 -0.0 49.1 37.8 29.1 53 52 A K S S- 0 0 166 3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.022 107.9-112.5-116.3 26.6 49.5 36.0 25.7 54 53 A E S S+ 0 0 26 -3,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.852 88.7 109.7 50.2 39.8 48.1 32.6 26.7 55 54 A S + 0 0 88 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.497 59.2 62.9-121.1 -8.9 51.5 30.9 26.3 56 55 A V S S- 0 0 71 2,-0.0 -6,-2.8 -5,-0.0 -5,-0.8 -0.978 76.4-138.0-126.2 116.0 52.7 30.1 29.9 57 56 A L B -O 49 0D 78 -2,-0.5 2,-1.2 -8,-0.2 -8,-0.3 -0.501 8.6-133.2 -81.8 135.7 50.6 27.6 31.9 58 57 A N > - 0 0 47 -10,-2.9 3,-2.1 -2,-0.3 6,-0.3 -0.735 21.1-164.0 -74.0 98.4 49.7 28.0 35.6 59 58 A X T 3 S+ 0 0 99 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.614 82.5 69.9 -66.9 -7.7 50.6 24.3 36.6 60 59 A D T 3 S+ 0 0 125 -13,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.524 79.9 90.1 -81.8 -5.9 48.6 24.8 39.8 61 60 A F S X S- 0 0 1 -3,-2.1 3,-2.1 -13,-0.1 4,-0.5 -0.822 80.0-140.1 -88.5 121.6 45.5 24.8 37.7 62 61 A N G > S+ 0 0 34 -2,-0.6 3,-1.9 1,-0.3 6,-0.3 0.844 95.6 63.5 -56.3 -37.6 44.3 21.2 37.5 63 62 A L G 3 S+ 0 0 8 1,-0.3 -1,-0.3 -50,-0.1 8,-0.2 0.688 99.2 58.1 -62.7 -16.0 43.3 21.4 33.8 64 63 A N G < S+ 0 0 22 -3,-2.1 -1,-0.3 -6,-0.3 -2,-0.2 0.612 86.6 98.5 -84.5 -16.7 46.9 22.1 32.9 65 64 A K S X S- 0 0 61 -3,-1.9 3,-1.6 -4,-0.5 4,-0.2 -0.418 80.0-122.9 -77.4 147.1 48.3 18.8 34.5 66 65 A K G > S+ 0 0 159 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.874 111.4 62.1 -54.4 -36.4 49.1 15.7 32.5 67 66 A E G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -5,-0.0 75,-0.2 0.795 108.8 44.2 -64.7 -23.0 46.7 13.6 34.7 68 67 A Y G X S+ 0 0 9 -3,-1.6 3,-1.1 -6,-0.3 -1,-0.3 0.197 80.3 137.3-107.3 19.8 43.9 15.9 33.4 69 68 A Q T < S+ 0 0 116 -3,-1.8 -58,-0.1 1,-0.3 -5,-0.1 -0.300 73.6 17.2 -61.9 147.8 44.8 16.0 29.7 70 69 A N T 3 S- 0 0 150 1,-0.2 -59,-0.6 -7,-0.1 -1,-0.3 0.788 85.6-177.8 57.2 34.8 41.8 15.7 27.4 71 70 A S E < +b 11 0A 4 -3,-1.1 -59,-0.2 -8,-0.2 -1,-0.2 -0.389 18.7 167.1 -62.9 135.2 39.3 16.6 30.2 72 71 A S E + 0 0 14 -61,-2.8 27,-3.5 1,-0.2 28,-1.3 0.341 63.4 55.0-128.1 -0.6 35.6 16.4 29.0 73 72 A I E -bc 12 100A 0 -62,-1.9 -60,-2.3 25,-0.2 2,-0.4 -0.999 65.0-160.0-131.4 138.7 34.0 16.5 32.5 74 73 A L E -bc 13 101A 0 26,-1.9 28,-2.9 -2,-0.4 2,-0.5 -0.897 4.2-160.6-115.6 144.0 34.4 19.1 35.3 75 74 A V E +bc 14 102A 0 -62,-2.2 -60,-3.5 -2,-0.4 2,-0.2 -0.980 28.6 156.1-123.3 116.1 33.6 18.7 38.9 76 75 A S E -b 15 0A 0 26,-2.6 -60,-0.2 -2,-0.5 -58,-0.1 -0.662 36.7-101.4-130.0-177.3 33.2 22.0 40.8 77 76 A F - 0 0 28 -60,-1.8 3,-0.4 -62,-0.6 28,-0.3 -0.172 60.9 -40.1-101.1-164.8 31.5 23.5 43.8 78 77 A E S S+ 0 0 73 1,-0.2 -59,-3.4 26,-0.1 -58,-0.4 -0.087 111.5 19.2 -69.9 158.5 28.4 25.5 44.2 79 78 A N S > S- 0 0 50 1,-0.2 3,-1.4 -61,-0.2 2,-0.3 0.854 75.1-175.1 57.7 44.0 27.0 28.3 42.1 80 79 A F B 3 +p 106 0E 0 25,-1.7 27,-2.1 -3,-0.4 -1,-0.2 -0.496 67.3 25.8 -68.3 131.2 29.0 27.4 39.1 81 80 A G T 3 S+ 0 0 0 -61,-2.5 29,-0.3 -2,-0.3 -1,-0.2 0.592 83.0 179.4 91.2 10.0 28.5 29.9 36.3 82 81 A S B < +g 21 0B 36 -3,-1.4 -60,-2.0 -62,-1.0 2,-0.2 -0.139 35.7 57.5 -43.1 131.5 27.6 32.8 38.5 83 82 A G S S- 0 0 37 -62,-0.2 27,-0.2 -61,-0.1 26,-0.2 -0.747 86.8 -46.0 138.2-178.8 26.8 36.1 36.7 84 83 A S S S- 0 0 74 -2,-0.2 -62,-0.1 1,-0.2 0, 0.0 -0.324 84.9 -55.5 -75.9 166.3 24.7 37.7 34.1 85 84 A S + 0 0 75 1,-0.1 -1,-0.2 -2,-0.1 2,-0.2 -0.115 60.3 165.3 -43.1 128.7 24.0 36.1 30.7 86 85 A R > - 0 0 12 -3,-0.1 3,-1.7 1,-0.1 -1,-0.1 -0.702 16.3-173.8-147.8 93.8 27.2 35.3 28.9 87 86 A E T 3> S+ 0 0 68 1,-0.3 4,-1.7 -2,-0.2 -1,-0.1 0.854 83.1 66.2 -57.8 -33.6 26.6 33.0 26.0 88 87 A H H 3> S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.707 87.1 69.1 -59.7 -25.0 30.4 32.7 25.5 89 88 A A H <> S+ 0 0 0 -3,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.991 105.4 38.6 -65.0 -56.6 30.8 30.9 28.8 90 89 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.927 116.0 55.4 -55.4 -40.7 29.1 27.8 27.6 91 90 A W H X S+ 0 0 65 -4,-1.7 4,-2.9 2,-0.2 -52,-0.3 0.910 106.8 47.9 -56.2 -46.7 30.8 28.2 24.3 92 91 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 6,-0.2 0.920 113.5 48.9 -62.8 -41.5 34.3 28.3 25.7 93 92 A L H X>S+ 0 0 0 -4,-2.0 5,-2.8 -5,-0.2 4,-1.0 0.953 115.8 41.8 -62.0 -50.8 33.6 25.2 27.8 94 93 A V H ><5S+ 0 0 34 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.918 113.2 52.6 -64.5 -43.1 32.2 23.2 24.8 95 94 A D H 3<5S+ 0 0 83 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.842 107.0 53.8 -62.6 -32.9 34.9 24.4 22.4 96 95 A Y H 3<5S- 0 0 61 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.798 128.7-100.6 -68.3 -27.3 37.5 23.3 25.0 97 96 A G T <<5S+ 0 0 31 -4,-1.0 2,-0.5 -3,-0.5 -3,-0.2 0.457 70.8 148.4 117.4 7.4 35.9 19.9 24.9 98 97 A I < + 0 0 0 -5,-2.8 -1,-0.3 -6,-0.2 -25,-0.2 -0.585 14.2 171.8 -78.5 123.5 33.8 19.9 28.1 99 98 A R + 0 0 42 -27,-3.5 21,-2.3 -2,-0.5 2,-0.3 0.677 64.1 15.0-101.5 -24.7 30.6 17.9 27.7 100 99 A A E -cd 73 120A 0 -28,-1.3 -26,-1.9 19,-0.2 2,-0.4 -0.997 55.6-154.6-151.7 147.5 29.3 17.9 31.3 101 100 A I E -cd 74 121A 0 19,-2.4 21,-2.9 -2,-0.3 2,-0.5 -0.998 8.3-158.2-124.3 132.0 29.8 19.7 34.6 102 101 A I E +cd 75 122A 0 -28,-2.9 -26,-2.6 -2,-0.4 21,-0.2 -0.940 32.9 138.9-105.6 124.6 29.0 18.1 38.0 103 102 A A E - d 0 123A 0 19,-2.2 21,-2.1 -2,-0.5 -26,-0.2 -0.953 62.3-109.9-153.5 168.6 28.4 20.6 40.8 104 103 A P S S- 0 0 26 0, 0.0 2,-0.3 0, 0.0 22,-0.1 0.798 99.2 -6.0 -74.0 -28.0 26.0 21.0 43.8 105 104 A S - 0 0 42 -28,-0.3 -25,-1.7 17,-0.1 2,-0.3 -0.973 61.3-146.4-159.0 164.1 24.3 23.9 42.0 106 105 A F B -p 80 0E 6 -2,-0.3 -25,-0.2 -27,-0.3 2,-0.1 -0.989 35.8 -99.0-136.4 142.7 24.5 26.2 38.9 107 106 A A > - 0 0 12 -27,-2.1 4,-2.6 -2,-0.3 5,-0.2 -0.419 39.6-124.7 -57.8 132.0 23.6 29.8 38.4 108 107 A D H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.875 105.8 48.9 -52.8 -45.6 20.2 29.8 36.8 109 108 A I H > S+ 0 0 81 -26,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 113.6 45.1 -65.8 -46.7 21.2 31.8 33.7 110 109 A F H > S+ 0 0 5 -29,-0.3 4,-3.2 -27,-0.2 5,-0.3 0.903 108.5 58.3 -63.1 -41.2 24.3 29.8 32.9 111 110 A K H X S+ 0 0 54 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.931 108.4 44.6 -54.5 -48.2 22.5 26.5 33.4 112 111 A N H X S+ 0 0 75 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.920 115.6 47.3 -67.7 -41.0 19.9 27.4 30.7 113 112 A N H X S+ 0 0 36 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.868 112.7 49.3 -63.7 -39.4 22.5 28.6 28.3 114 113 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.7 2,-0.2 3,-1.1 0.938 111.5 47.5 -67.2 -47.5 24.7 25.6 28.9 115 114 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.892 108.5 57.3 -60.5 -39.1 21.8 23.2 28.3 116 115 A G H 3<5S+ 0 0 11 -4,-2.4 -1,-0.3 1,-0.3 63,-0.3 0.742 108.3 47.2 -58.2 -24.0 20.9 25.2 25.2 117 116 A N T <<5S- 0 0 26 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.228 122.6-101.8-109.9 13.4 24.4 24.5 23.9 118 117 A G T < 5S+ 0 0 1 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.622 77.4 138.4 80.3 14.9 24.4 20.8 24.7 119 118 A L < - 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0 0 79 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.299 38.0-131.2 -54.8 138.8 41.5 53.3 6.1 345 165 B D H > S+ 0 0 111 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.905 105.8 52.4 -65.8 -42.0 44.9 53.4 7.8 346 166 B F H > S+ 0 0 144 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 113.6 42.9 -54.4 -54.5 45.5 57.1 7.0 347 167 B H H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 114.7 51.3 -60.1 -44.6 42.1 58.0 8.4 348 168 B R H X S+ 0 0 44 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.937 111.2 46.3 -60.1 -46.1 42.7 55.8 11.4 349 169 B I H X S+ 0 0 71 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.908 110.0 54.4 -68.4 -34.9 46.1 57.3 12.2 350 170 B C H X>S+ 0 0 21 -4,-2.5 5,-3.0 1,-0.2 4,-0.7 0.932 113.7 41.7 -62.7 -41.1 44.8 60.9 11.8 351 171 B L H <5S+ 0 0 2 -4,-2.2 -167,-3.1 3,-0.2 3,-0.3 0.878 113.0 53.8 -74.3 -35.6 42.1 60.3 14.3 352 172 B L H <5S+ 0 0 11 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.834 119.4 32.5 -65.4 -37.3 44.4 58.3 16.7 353 173 B E H <5S- 0 0 98 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.386 109.8-114.9-101.9 0.2 47.0 61.0 16.9 354 174 B G T <5 + 0 0 12 -4,-0.7 2,-0.5 -3,-0.3 -3,-0.2 0.944 52.8 172.9 63.5 48.9 44.7 64.0 16.5 355 175 B L < + 0 0 93 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.834 6.3 144.9-101.2 124.7 46.2 65.0 13.2 356 176 B D - 0 0 92 -2,-0.5 2,-0.3 -175,-0.1 -60,-0.1 -0.975 32.4-161.8-153.2 152.4 44.6 67.8 11.3 357 177 B N > - 0 0 82 -2,-0.3 3,-1.7 3,-0.3 -2,-0.0 -0.908 11.3-156.5-140.7 116.8 45.3 70.8 9.0 358 178 B I T 3 S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.692 95.9 61.3 -63.5 -20.0 42.7 73.5 8.6 359 179 B A T 3 0 0 85 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.561 360.0 360.0 -82.6 -12.9 44.4 74.3 5.2 360 180 B L < 0 0 189 -3,-1.7 -3,-0.3 0, 0.0 -1,-0.1 -0.920 360.0 360.0-109.5 360.0 43.7 70.8 3.7