==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-OCT-12 3W08 . COMPND 2 MOLECULE: ALDOXIME DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS CHLORORAPHIS; . AUTHOR H.HASHIMOTO,J.NOMURA,Y.HASHIMOTO,K.I.OINUMA,K.WADA,A.HISHIKI . 702 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 25.6 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 . 6 0.9 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 . 29 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 2 0 0 2 2 4 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 2 2 2 2 2 6 4 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 0 0 0 0 0 0 0 0 0 2 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 0 125 0, 0.0 2,-0.3 0, 0.0 165,-0.2 0.000 360.0 360.0 360.0 129.6 -2.8 9.2 51.1 2 2 A E B -a 166 0A 78 163,-1.7 165,-2.2 162,-0.1 166,-0.3 -0.901 360.0-101.9-130.6 158.3 -1.5 11.4 48.2 3 3 A S - 0 0 20 -2,-0.3 4,-0.1 163,-0.2 175,-0.0 -0.573 24.5-130.1 -78.0 148.1 -2.7 12.3 44.7 4 4 A A S S+ 0 0 12 -2,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.735 90.1 86.8 -64.7 -21.6 -1.1 10.5 41.9 5 5 A I S S- 0 0 5 174,-0.1 -2,-0.2 172,-0.1 5,-0.1 -0.696 88.2-120.7 -87.6 121.9 -0.5 13.9 40.2 6 6 A D >> - 0 0 35 -2,-0.5 3,-2.4 1,-0.1 4,-0.5 -0.276 23.6-111.4 -64.7 152.7 2.8 15.4 41.4 7 7 A T G >4 S+ 0 0 92 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.835 115.4 53.3 -60.1 -34.5 2.5 18.7 43.1 8 8 A H G 34 S+ 0 0 38 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.593 109.2 51.0 -75.3 -10.4 4.2 20.7 40.4 9 9 A L G <4 S+ 0 0 24 -3,-2.4 -1,-0.2 130,-0.1 2,-0.2 0.328 80.2 117.0-108.5 4.6 1.8 19.3 37.8 10 10 A K << + 0 0 112 -3,-1.1 -4,-0.0 -4,-0.5 -3,-0.0 -0.555 41.2 174.7 -73.4 137.4 -1.4 20.2 39.6 11 11 A C - 0 0 68 -2,-0.2 2,-0.2 169,-0.1 -2,-0.1 -0.948 43.7 -82.9-138.4 154.1 -3.6 22.6 37.6 12 12 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 537,-0.1 -0.484 59.2-122.3 -56.3 124.2 -7.0 24.2 38.0 13 13 A R + 0 0 88 -2,-0.2 171,-0.2 1,-0.1 3,-0.1 -0.529 38.4 173.2 -79.3 137.4 -9.3 21.5 36.6 14 14 A T S S+ 0 0 48 169,-2.6 2,-0.4 -2,-0.2 170,-0.2 0.402 79.3 52.0-114.0 -4.4 -11.6 22.1 33.7 15 15 A L S S- 0 0 38 168,-1.7 2,-0.3 167,-0.1 -1,-0.2 -0.978 88.4-126.1-123.7 138.7 -12.5 18.4 33.6 16 16 A S - 0 0 112 -2,-0.4 -2,-0.0 -3,-0.1 168,-0.0 -0.631 19.1-113.2 -89.9 144.8 -13.6 16.5 36.7 17 17 A R - 0 0 40 -2,-0.3 -1,-0.1 2,-0.2 157,-0.1 -0.236 30.9-115.5 -55.0 158.8 -12.1 13.3 38.1 18 18 A R S S+ 0 0 161 155,-0.2 -1,-0.1 153,-0.1 156,-0.1 0.867 97.3 47.9 -71.9 -31.1 -14.4 10.4 37.9 19 19 A V S S- 0 0 21 1,-0.1 -2,-0.2 154,-0.1 152,-0.0 -0.776 89.6-107.3-113.9 150.9 -14.6 10.1 41.7 20 20 A P > - 0 0 82 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.200 38.8 -96.5 -68.9 169.3 -15.3 12.7 44.3 21 21 A E T 3 S+ 0 0 167 1,-0.3 -2,-0.0 -4,-0.1 0, 0.0 0.694 120.4 61.5 -55.1 -28.3 -12.7 14.1 46.7 22 22 A E T 3 S+ 0 0 143 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.548 75.0 127.2 -78.8 -10.1 -13.8 11.7 49.5 23 23 A Y < - 0 0 49 -3,-2.0 -4,-0.0 1,-0.0 0, 0.0 -0.245 38.3-170.1 -55.4 134.2 -12.9 8.6 47.5 24 24 A Q - 0 0 165 146,-0.0 143,-0.1 144,-0.0 -2,-0.0 -0.994 22.5-121.8-122.6 133.6 -10.5 6.1 49.2 25 25 A P - 0 0 24 0, 0.0 145,-0.1 0, 0.0 143,-0.1 -0.259 16.3-120.5 -76.1 163.9 -9.1 3.2 47.2 26 26 A P S S- 0 0 73 0, 0.0 144,-0.1 0, 0.0 -2,-0.0 0.638 87.8 -0.6 -78.1 -19.4 -9.6 -0.4 48.2 27 27 A F S S- 0 0 36 142,-0.1 2,-0.1 283,-0.0 142,-0.0 -0.964 90.5 -74.4-164.0 159.0 -5.9 -1.4 48.6 28 28 A P + 0 0 58 0, 0.0 2,-0.3 0, 0.0 139,-0.1 -0.413 47.7 162.7 -67.9 138.7 -2.5 0.3 48.4 29 29 A M - 0 0 13 137,-0.2 137,-2.0 -2,-0.1 2,-0.3 -0.946 19.1-148.4-147.5 158.5 -0.8 1.1 45.0 30 30 A W B -B 146 0B 31 116,-2.3 116,-3.1 -2,-0.3 2,-0.3 -0.832 2.6-151.9-129.8 160.0 2.1 3.4 44.2 31 31 A V - 0 0 5 133,-0.4 132,-3.1 -2,-0.3 2,-0.3 -0.893 28.7-101.8-129.3 160.2 3.3 5.6 41.3 32 32 A A E -O 162 0C 8 -2,-0.3 2,-0.3 130,-0.2 130,-0.2 -0.635 37.8-155.2 -81.1 142.4 6.7 6.8 40.1 33 33 A R E +O 161 0C 27 128,-2.8 127,-2.3 -2,-0.3 128,-1.7 -0.917 17.6 170.7-116.1 147.7 7.6 10.4 41.1 34 34 A A - 0 0 9 -2,-0.3 125,-0.1 125,-0.2 -28,-0.0 -0.981 27.7-122.3-149.2 148.6 10.0 12.9 39.5 35 35 A D > - 0 0 52 -2,-0.3 3,-1.9 1,-0.1 424,-0.1 -0.087 48.6 -74.4 -81.5-171.4 10.5 16.6 40.2 36 36 A E T 3 S+ 0 0 42 1,-0.3 422,-0.2 422,-0.1 423,-0.1 0.584 121.6 73.1 -64.8 -13.2 10.2 19.6 37.8 37 37 A Q T 3 S+ 0 0 88 421,-0.1 2,-1.0 1,-0.1 -1,-0.3 0.746 77.9 82.6 -73.1 -24.7 13.5 18.7 36.0 38 38 A L < + 0 0 12 -3,-1.9 3,-0.1 1,-0.2 63,-0.1 -0.757 51.9 154.9 -83.9 101.3 11.8 15.7 34.3 39 39 A Q - 0 0 31 -2,-1.0 100,-2.5 1,-0.4 101,-0.3 0.808 62.9 -4.6 -93.4 -44.0 10.1 17.4 31.4 40 40 A Q B -P 138 0D 4 60,-0.4 -1,-0.4 98,-0.3 2,-0.3 -0.983 58.7-149.9-154.9 140.5 9.8 14.6 28.8 41 41 A V - 0 0 0 96,-2.2 2,-0.5 -2,-0.3 59,-0.2 -0.793 13.2-139.1-108.9 160.8 10.9 11.0 28.5 42 42 A V E -C 99 0B 3 57,-2.0 57,-2.4 -2,-0.3 2,-0.6 -0.998 10.9-166.5-120.3 128.0 11.8 9.2 25.4 43 43 A M E -CD 98 135B 0 92,-2.8 92,-2.0 -2,-0.5 2,-0.6 -0.955 11.3-173.8-113.1 110.1 10.7 5.6 24.9 44 44 A G E -CD 97 134B 1 53,-2.7 53,-2.2 -2,-0.6 2,-0.6 -0.900 10.0-168.9-118.3 110.1 12.5 4.0 22.0 45 45 A Y E -CD 96 133B 1 88,-3.0 88,-2.6 -2,-0.6 2,-0.5 -0.835 9.1-173.2 -94.7 114.3 11.5 0.5 20.8 46 46 A L E -CD 95 132B 3 49,-3.2 49,-2.7 -2,-0.6 2,-0.3 -0.959 9.9-167.4-113.1 125.4 14.1 -0.9 18.4 47 47 A G E -CD 94 131B 0 84,-2.6 84,-2.0 -2,-0.5 2,-0.4 -0.835 24.4-162.2-121.3 152.9 13.3 -4.2 16.6 48 48 A V E -CD 93 130B 0 45,-2.4 45,-3.2 -2,-0.3 2,-0.4 -0.999 20.6-163.2-125.6 123.4 14.9 -6.9 14.5 49 49 A Q E +CD 92 129B 3 80,-2.8 80,-2.9 -2,-0.4 2,-0.3 -0.904 15.6 162.3-113.0 136.5 12.4 -9.1 12.7 50 50 A Y E -C 91 0B 7 41,-2.6 41,-2.8 -2,-0.4 2,-0.5 -0.973 29.8-130.1-147.2 164.3 13.2 -12.5 11.2 51 51 A R - 0 0 158 -2,-0.3 4,-0.4 39,-0.2 39,-0.1 -0.966 60.9 -22.6-125.5 117.5 11.6 -15.7 9.9 52 52 A G S > S- 0 0 31 -2,-0.5 3,-1.1 37,-0.4 4,-0.5 0.139 84.6 -63.1 88.7 169.7 12.6 -19.1 11.0 53 53 A E G > S+ 0 0 143 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.781 121.3 74.9 -56.4 -33.4 15.6 -20.9 12.4 54 54 A A G 3 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.810 107.3 28.5 -52.4 -36.3 17.4 -20.0 9.2 55 55 A Q G <> S+ 0 0 62 -3,-1.1 4,-2.2 -4,-0.4 -1,-0.2 0.369 89.3 104.3-113.0 4.2 17.8 -16.4 10.4 56 56 A R H <> S+ 0 0 73 -3,-0.8 4,-2.2 -4,-0.5 5,-0.2 0.912 84.0 43.5 -55.9 -50.5 17.9 -16.7 14.2 57 57 A E H > S+ 0 0 129 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.901 113.2 51.7 -66.7 -37.6 21.7 -16.2 14.7 58 58 A A H > S+ 0 0 54 2,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.907 110.3 50.6 -61.9 -40.4 21.9 -13.3 12.3 59 59 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.931 109.3 49.0 -65.4 -44.5 19.0 -11.6 14.1 60 60 A L H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.877 111.2 50.8 -64.3 -35.5 20.6 -12.0 17.5 61 61 A Q H X S+ 0 0 109 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.902 109.5 49.8 -70.5 -39.2 23.9 -10.6 16.2 62 62 A A H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.914 112.3 48.7 -60.2 -42.8 22.0 -7.6 14.7 63 63 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.881 106.5 55.7 -69.7 -36.9 20.4 -7.0 18.0 64 64 A R H X S+ 0 0 66 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.900 107.7 50.7 -55.0 -41.3 23.8 -7.3 19.8 65 65 A H H X S+ 0 0 85 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.926 111.8 46.3 -62.5 -46.2 24.9 -4.6 17.5 66 66 A I H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.958 113.2 48.0 -61.6 -49.6 21.9 -2.4 18.4 67 67 A V H >< S+ 0 0 19 -4,-2.9 3,-0.9 1,-0.3 4,-0.4 0.928 109.3 54.4 -60.2 -40.4 22.2 -3.0 22.2 68 68 A S H >< S+ 0 0 72 -4,-2.4 3,-1.8 -5,-0.3 4,-0.3 0.880 100.1 60.9 -58.8 -38.5 25.9 -2.2 21.9 69 69 A S H >< S+ 0 0 10 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.806 92.2 67.4 -57.2 -30.0 25.0 1.1 20.3 70 70 A F T << S+ 0 0 9 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.726 91.1 62.9 -64.2 -18.2 23.1 2.0 23.5 71 71 A S T < S+ 0 0 96 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.611 83.7 101.9 -84.0 -7.1 26.5 2.1 25.2 72 72 A L S X S- 0 0 36 -3,-1.7 3,-1.8 -4,-0.3 36,-0.1 -0.169 93.6 -67.6 -66.9 164.7 27.5 5.0 23.0 73 73 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.258 123.5 16.3 -54.7 142.2 27.5 8.5 24.4 74 74 A D T 3 S+ 0 0 60 1,-0.2 34,-0.3 -3,-0.1 35,-0.2 0.557 91.2 150.3 64.4 14.1 24.0 9.9 25.1 75 75 A G < - 0 0 12 -3,-1.8 -1,-0.2 1,-0.1 -5,-0.1 -0.102 56.6 -69.3 -59.1 171.4 22.6 6.3 25.0 76 76 A P - 0 0 15 0, 0.0 23,-0.2 0, 0.0 -1,-0.1 -0.238 33.9-128.6 -69.7 156.3 19.5 5.6 27.1 77 77 A Q S S+ 0 0 95 21,-1.9 2,-0.3 1,-0.2 22,-0.2 0.852 90.6 9.2 -67.0 -36.8 19.6 5.4 30.9 78 78 A T E +E 98 0B 44 20,-1.2 20,-2.3 2,-0.0 2,-0.3 -0.936 67.4 175.3-145.8 153.9 18.0 2.0 31.0 79 79 A H E -E 97 0B 90 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.976 8.8-166.8-159.1 157.2 17.0 -0.7 28.5 80 80 A D E -E 96 0B 29 16,-1.6 16,-2.6 -2,-0.3 2,-0.4 -0.986 15.1-136.7-148.1 154.5 15.5 -4.2 28.3 81 81 A L E +E 95 0B 11 186,-0.4 186,-2.2 -2,-0.3 2,-0.3 -0.896 22.5 175.9-120.2 133.7 15.3 -6.9 25.5 82 82 A T E -EF 94 266B 0 12,-2.9 12,-2.6 -2,-0.4 2,-0.4 -0.890 16.0-147.6-133.4 166.8 12.3 -9.1 24.6 83 83 A H E +EF 93 265B 25 182,-2.3 182,-2.4 -2,-0.3 2,-0.3 -0.980 18.6 163.8-130.8 144.2 11.2 -11.6 22.1 84 84 A H E -E 92 0B 16 8,-1.8 8,-2.3 -2,-0.4 2,-0.5 -0.972 30.5-134.2-151.5 154.9 7.8 -12.5 20.6 85 85 A T E -E 91 0B 70 -2,-0.3 6,-0.2 6,-0.2 178,-0.1 -0.922 32.1-142.2-102.8 127.4 6.4 -14.5 17.6 86 86 A D > - 0 0 24 4,-2.8 3,-2.1 -2,-0.5 176,-0.1 -0.280 27.7 -97.5 -88.0 175.5 3.7 -12.5 15.8 87 87 A S T 3 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.642 122.3 61.0 -70.0 -14.0 0.6 -13.7 14.1 88 88 A S T 3 S- 0 0 41 2,-0.2 -1,-0.3 252,-0.0 3,-0.1 0.394 119.8-107.8 -88.6 -0.6 2.3 -13.8 10.8 89 89 A G S < S+ 0 0 40 -3,-2.1 -37,-0.4 1,-0.3 2,-0.4 0.565 76.1 134.6 87.4 10.4 4.8 -16.4 12.1 90 90 A F - 0 0 42 -39,-0.1 -4,-2.8 -41,-0.0 -1,-0.3 -0.748 52.3-130.4 -92.8 142.8 7.7 -13.9 12.3 91 91 A D E -CE 50 85B 15 -41,-2.8 -41,-2.6 -2,-0.4 2,-0.4 -0.660 22.3-161.6 -86.9 145.6 10.0 -13.7 15.2 92 92 A N E -CE 49 84B 1 -8,-2.3 -8,-1.8 -2,-0.3 2,-0.5 -0.978 11.4-164.5-136.4 118.3 10.7 -10.2 16.7 93 93 A L E -CE 48 83B 3 -45,-3.2 -45,-2.4 -2,-0.4 2,-0.4 -0.905 19.0-175.3 -96.0 127.9 13.5 -9.1 19.0 94 94 A M E -CE 47 82B 0 -12,-2.6 -12,-2.9 -2,-0.5 2,-0.5 -0.987 14.3-169.9-131.4 125.6 12.8 -5.8 20.6 95 95 A V E -CE 46 81B 0 -49,-2.7 -49,-3.2 -2,-0.4 2,-0.5 -0.938 10.6-156.5-107.1 132.7 14.9 -3.6 22.8 96 96 A V E -CE 45 80B 0 -16,-2.6 -16,-1.6 -2,-0.5 2,-0.4 -0.936 6.9-167.6-106.8 128.9 13.4 -0.6 24.6 97 97 A G E -CE 44 79B 0 -53,-2.2 -53,-2.7 -2,-0.5 2,-0.5 -0.947 6.1-154.0-109.6 139.0 15.6 2.3 25.7 98 98 A Y E -CE 43 78B 0 -20,-2.3 -21,-1.9 -2,-0.4 -20,-1.2 -0.971 9.0-171.9-113.5 129.1 14.4 5.0 28.1 99 99 A W E -C 42 0B 1 -57,-2.4 -57,-2.0 -2,-0.5 59,-0.1 -0.922 17.8-160.7-112.3 142.0 15.8 8.5 28.2 100 100 A K S S+ 0 0 106 -2,-0.4 -60,-0.4 -59,-0.2 -61,-0.4 0.411 85.3 50.0 -94.4 -0.8 15.0 11.1 30.8 101 101 A D > - 0 0 55 1,-0.1 4,-1.8 -63,-0.1 3,-0.3 -0.949 65.8-158.5-140.1 118.0 16.3 13.9 28.5 102 102 A P H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.829 92.3 61.1 -69.4 -29.7 15.1 14.3 24.9 103 103 A A H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.926 105.6 48.9 -58.2 -43.7 18.1 16.4 23.8 104 104 A A H > S+ 0 0 10 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.949 110.2 52.0 -60.7 -47.3 20.4 13.4 24.8 105 105 A H H X S+ 0 0 12 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.922 110.8 47.1 -51.5 -47.7 18.2 11.1 22.8 106 106 A C H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.900 109.6 52.6 -68.9 -38.5 18.4 13.3 19.7 107 107 A R H X S+ 0 0 66 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.916 114.1 44.5 -58.5 -43.5 22.2 13.6 20.0 108 108 A W H >< S+ 0 0 2 -4,-2.3 3,-1.1 -34,-0.3 6,-0.3 0.954 114.0 47.9 -65.5 -49.7 22.4 9.9 20.1 109 109 A L H 3< S+ 0 0 23 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.849 116.1 43.4 -64.5 -35.8 20.0 9.3 17.3 110 110 A R H 3< S+ 0 0 108 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.456 87.5 119.1 -86.9 -4.0 21.6 11.8 15.0 111 111 A S S S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.914 111.4 52.1 -52.7 -48.9 27.2 9.4 12.9 113 113 A E H > S+ 0 0 124 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.906 119.3 34.5 -61.1 -40.6 27.6 5.9 14.3 114 114 A V H > S+ 0 0 3 -6,-0.3 4,-2.2 -3,-0.2 -2,-0.2 0.964 122.8 42.2 -76.7 -54.6 23.9 5.4 15.0 115 115 A N H X S+ 0 0 35 -4,-3.1 4,-2.4 -7,-0.3 -3,-0.2 0.870 111.4 54.7 -68.6 -34.0 22.4 7.3 12.0 116 116 A D H X S+ 0 0 99 -4,-2.6 4,-0.9 -5,-0.4 -1,-0.2 0.905 110.9 47.2 -64.2 -41.1 24.9 6.0 9.4 117 117 A W H >< S+ 0 0 36 -4,-0.9 3,-0.6 -5,-0.4 -2,-0.2 0.946 114.9 44.2 -63.1 -50.7 24.0 2.4 10.4 118 118 A W H 3< S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.835 118.5 43.5 -67.0 -32.7 20.2 3.0 10.3 119 119 A T H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.504 86.2 121.1 -91.4 -5.1 20.3 4.9 7.0 120 120 A S X< - 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