==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTSE) 28-MAR-97 1AG1 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR C.L.M.J.VERLINDE,W.G.J.HOL . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 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 . 46 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 0 3 9 2 0 0 0 0 1 4 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 0 7 5 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 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 . 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 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 2 O S 0 0 187 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.0 29.0 56.7 20.8 2 3 O K - 0 0 68 1,-0.1 202,-0.1 202,-0.0 204,-0.1 -0.886 360.0-105.0-127.3 156.8 29.9 53.5 19.0 3 4 O P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 -0.049 62.2 -62.9 -68.6 175.4 29.9 52.3 15.5 4 5 O Q - 0 0 58 200,-0.1 32,-0.2 1,-0.1 2,-0.1 -0.387 65.6-124.6 -61.2 137.5 27.2 49.8 14.2 5 6 O P - 0 0 10 0, 0.0 32,-2.8 0, 0.0 2,-0.4 -0.406 15.7-142.3 -88.1 171.0 27.6 46.6 16.1 6 7 O I E -ab 37 229A 0 222,-1.7 224,-1.2 30,-0.2 2,-0.6 -0.997 10.8-168.2-139.3 130.1 28.1 43.1 14.9 7 8 O A E -ab 38 230A 0 30,-1.9 32,-2.4 -2,-0.4 2,-0.6 -0.962 20.8-172.2-116.2 97.8 26.7 39.8 16.2 8 9 O A E -ab 39 231A 2 222,-2.5 224,-3.1 -2,-0.6 2,-0.7 -0.895 13.8-154.5-105.6 118.4 28.7 37.1 14.4 9 10 O A E -ab 40 232A 0 30,-3.2 32,-3.4 -2,-0.6 2,-0.8 -0.816 5.9-166.6 -90.3 114.1 27.8 33.4 14.7 10 11 O N E -a 41 0A 1 222,-2.3 226,-0.3 -2,-0.7 227,-0.2 -0.918 5.2-176.2-101.8 101.5 30.8 31.2 14.2 11 12 O W - 0 0 0 30,-2.1 3,-0.4 -2,-0.8 -1,-0.1 0.534 21.2-168.1 -75.5 -9.9 29.3 27.7 13.7 12 13 O K - 0 0 37 29,-0.3 2,-1.3 1,-0.2 -1,-0.2 -0.170 57.6 -21.3 52.0-150.3 32.8 26.2 13.5 13 14 O C B S+I 321 0B 0 308,-1.8 308,-2.3 -3,-0.1 2,-0.3 -0.480 112.6 95.6 -87.2 60.9 32.9 22.6 12.3 14 15 O N + 0 0 45 -2,-1.3 29,-0.4 -3,-0.4 2,-0.1 -0.942 35.8 88.0-142.4 168.4 29.3 21.6 13.1 15 16 O G - 0 0 19 -2,-0.3 2,-0.4 27,-0.1 3,-0.1 -0.201 37.3-139.4 120.9 147.7 25.9 21.2 11.8 16 17 O S > - 0 0 36 1,-0.1 4,-2.8 -2,-0.1 5,-0.3 -0.957 35.7-113.4-132.2 150.0 23.5 19.0 10.1 17 18 O Q H > S+ 0 0 66 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.878 117.4 49.8 -50.0 -39.2 21.1 20.2 7.4 18 19 O Q H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.979 114.7 37.7 -66.5 -58.6 18.3 19.4 9.9 19 20 O S H >> S+ 0 0 49 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.930 117.8 52.0 -61.5 -44.0 19.5 21.2 13.0 20 21 O L H 3X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.919 105.2 53.8 -58.2 -45.6 20.9 24.1 10.9 21 22 O S H 3X S+ 0 0 17 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.715 107.8 53.4 -60.0 -26.6 17.6 24.7 9.0 22 23 O E H X S+ 0 0 67 -4,-1.3 4,-1.5 1,-0.2 3,-0.6 0.953 110.2 47.1 -52.8 -55.8 14.0 29.4 11.0 26 27 O L H >< S+ 0 0 57 -4,-2.3 3,-1.1 1,-0.3 4,-0.3 0.938 111.7 52.8 -49.8 -56.1 14.2 30.7 14.5 27 28 O F H >< S+ 0 0 0 -4,-3.6 3,-0.9 1,-0.3 -1,-0.3 0.818 107.3 50.6 -51.9 -38.5 16.6 33.4 13.2 28 29 O N H << S+ 0 0 40 -4,-2.3 -1,-0.3 -3,-0.6 -2,-0.2 0.702 104.5 58.1 -71.2 -27.8 14.3 34.6 10.4 29 30 O S T << S+ 0 0 99 -4,-1.5 2,-0.4 -3,-1.1 -1,-0.3 0.414 86.5 115.6 -81.8 -1.1 11.4 34.9 12.9 30 31 O T < - 0 0 18 -3,-0.9 2,-0.7 -4,-0.3 -3,-0.0 -0.644 58.8-145.9 -85.7 133.7 13.4 37.3 14.9 31 32 O S + 0 0 82 -2,-0.4 2,-0.5 2,-0.0 -2,-0.1 -0.817 21.0 177.4 -92.2 110.2 12.5 40.9 15.4 32 33 O I + 0 0 10 -2,-0.7 4,-0.1 1,-0.1 26,-0.0 -0.987 6.5 179.1-118.5 120.4 15.5 43.0 15.5 33 34 O N + 0 0 146 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.418 53.4 71.2-104.5 0.3 14.8 46.7 15.9 34 35 O H S S- 0 0 33 1,-0.0 2,-1.2 215,-0.0 215,-0.1 -0.655 92.2 -90.0-113.6 174.6 18.1 48.2 16.1 35 36 O D + 0 0 106 -2,-0.2 2,-0.3 2,-0.1 -2,-0.1 -0.698 68.0 139.5 -82.2 100.6 21.0 48.8 13.7 36 37 O V - 0 0 4 -2,-1.2 2,-0.7 -32,-0.2 -30,-0.2 -0.992 48.2-134.1-140.8 147.9 23.1 45.7 14.1 37 38 O Q E -a 6 0A 38 -32,-2.8 -30,-1.9 -2,-0.3 2,-0.5 -0.896 21.5-163.8-105.4 112.2 24.9 43.5 11.5 38 39 O C E -ac 7 59A 0 20,-2.4 22,-1.6 -2,-0.7 2,-0.4 -0.798 6.9-170.4 -96.8 130.5 24.2 39.9 12.1 39 40 O V E -ac 8 60A 0 -32,-2.4 -30,-3.2 -2,-0.5 2,-0.5 -0.963 12.4-158.6-122.7 137.3 26.6 37.4 10.4 40 41 O V E -ac 9 61A 0 20,-2.3 22,-1.9 -2,-0.4 2,-0.8 -0.968 6.0-166.7-119.2 109.8 26.3 33.6 10.1 41 42 O A E +ac 10 62A 2 -32,-3.4 -30,-2.1 -2,-0.5 -29,-0.3 -0.805 19.7 174.3 -95.7 98.2 29.7 31.8 9.4 42 43 O S E - c 0 63A 0 20,-1.2 22,-0.6 -2,-0.8 5,-0.1 -0.570 40.0 -82.2-101.8 170.2 28.8 28.3 8.4 43 44 O T > - 0 0 3 -29,-0.4 3,-0.6 -2,-0.2 4,-0.4 -0.322 46.0-109.4 -64.1 162.1 31.0 25.4 7.1 44 45 O F G > S+ 0 0 12 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.860 119.4 60.1 -56.0 -42.2 31.7 25.6 3.3 45 46 O V G 3 S+ 0 0 4 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.770 106.6 45.8 -56.9 -37.4 29.5 22.6 2.8 46 47 O H G <> S+ 0 0 0 -3,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.453 80.8 98.7 -92.7 1.5 26.5 24.5 4.2 47 48 O L H <> S+ 0 0 0 -3,-1.1 4,-3.2 -4,-0.4 5,-0.2 0.908 83.9 49.7 -53.4 -44.5 26.9 27.9 2.4 48 49 O A H > S+ 0 0 28 -4,-0.4 4,-2.9 -3,-0.3 5,-0.2 0.966 112.7 44.0 -59.6 -56.9 24.3 27.0 -0.3 49 50 O M H > S+ 0 0 37 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.868 115.4 52.3 -55.5 -39.5 21.6 25.9 2.1 50 51 O T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.969 108.4 47.7 -63.3 -50.5 22.4 28.9 4.2 51 52 O K H < S+ 0 0 77 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 114.5 47.6 -54.2 -53.8 22.2 31.3 1.3 52 53 O E H < S+ 0 0 167 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.942 119.5 36.1 -56.4 -50.5 18.8 29.9 0.2 53 54 O R H < S+ 0 0 102 -4,-2.3 2,-0.4 -5,-0.2 -2,-0.2 0.840 90.0 86.3 -78.2 -40.1 17.2 29.8 3.6 54 55 O L < + 0 0 21 -4,-2.7 -29,-0.1 -5,-0.2 7,-0.1 -0.539 42.4 160.2 -65.4 123.3 18.3 32.9 5.6 55 56 O S + 0 0 86 -2,-0.4 -1,-0.2 -31,-0.2 -2,-0.0 0.536 24.3 124.2-119.8 -7.1 16.0 35.6 4.7 56 57 O H > - 0 0 22 1,-0.2 3,-1.5 2,-0.1 -28,-0.1 -0.258 60.2-137.3 -53.8 130.4 16.3 38.1 7.6 57 58 O P T 3 S+ 0 0 126 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.758 100.9 57.6 -62.4 -25.6 17.3 41.5 6.3 58 59 O K T 3 S+ 0 0 58 -21,-0.1 -20,-2.4 -26,-0.0 2,-0.3 0.267 93.3 83.2 -86.5 2.3 19.8 41.9 9.1 59 60 O F E < +c 38 0A 17 -3,-1.5 2,-0.3 -22,-0.2 -20,-0.2 -0.782 47.4 177.6-110.0 149.6 21.8 38.8 8.4 60 61 O V E -c 39 0A 45 -22,-1.6 -20,-2.3 -2,-0.3 2,-0.3 -0.971 26.7-121.5-140.9 157.1 24.7 38.1 5.9 61 62 O I E +c 40 0A 19 -2,-0.3 28,-0.7 -22,-0.2 27,-0.7 -0.763 27.9 178.8-104.4 154.7 26.6 34.9 5.4 62 63 O A E -cd 41 89A 0 -22,-1.9 -20,-1.2 -2,-0.3 2,-0.3 -0.861 22.6-121.1-140.7 169.8 30.3 34.5 5.8 63 64 O A E -cd 42 90A 0 26,-1.3 28,-2.1 -2,-0.3 -20,-0.1 -0.784 17.8-125.7-114.7 160.5 32.8 31.7 5.5 64 65 O Q S S- 0 0 4 -22,-0.6 2,-0.3 -2,-0.3 30,-0.2 0.521 80.5 -20.4 -83.8 -7.9 35.2 30.4 8.1 65 66 O N - 0 0 3 260,-0.1 2,-0.3 27,-0.1 -1,-0.2 -0.969 55.6-170.8 177.3 170.9 38.4 30.6 6.0 66 67 O A - 0 0 1 -2,-0.3 2,-0.3 -3,-0.1 12,-0.3 -0.981 22.5-123.0-171.8 162.2 40.0 30.8 2.6 67 68 O I B -j 78 0C 16 10,-1.6 12,-1.7 -2,-0.3 3,-0.1 -0.790 32.8-120.3-107.2 157.7 43.1 30.8 0.5 68 69 O A S S+ 0 0 30 -2,-0.3 2,-0.4 10,-0.2 -1,-0.1 0.833 85.4 30.4 -69.5 -36.1 44.0 33.7 -1.7 69 70 O K S S- 0 0 138 10,-0.1 -1,-0.1 9,-0.1 194,-0.1 -0.983 74.4-116.4-137.6 151.0 44.1 32.1 -5.1 70 71 O S + 0 0 40 -2,-0.4 2,-0.3 -3,-0.1 194,-0.3 -0.146 65.2 83.3 -66.2 160.6 42.5 29.2 -7.0 71 72 O G B S-K 263 0D 15 192,-4.8 192,-2.0 190,-0.2 2,-2.0 -0.951 83.0 -5.5 142.5-163.0 44.8 26.4 -8.1 72 73 O A S S+ 0 0 42 -2,-0.3 2,-0.2 190,-0.2 190,-0.1 -0.516 81.0 118.8 -77.0 74.4 46.5 23.2 -7.0 73 74 O F > - 0 0 60 -2,-2.0 3,-1.8 3,-0.1 -1,-0.1 -0.662 54.0-152.9-141.2 73.6 45.5 23.3 -3.4 74 75 O T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.210 80.6 15.3 -52.8 137.2 43.5 20.1 -2.9 75 76 O G T 3 S+ 0 0 7 1,-0.3 -1,-0.3 240,-0.1 219,-0.2 0.039 106.0 112.0 88.9 -28.5 40.9 20.4 -0.1 76 77 O E < - 0 0 10 -3,-1.8 2,-0.4 238,-0.1 -1,-0.3 -0.254 53.7-149.6 -79.2 160.8 41.3 24.2 -0.0 77 78 O V - 0 0 1 -3,-0.1 -10,-1.6 216,-0.1 2,-0.1 -0.985 16.0-153.5-137.6 124.0 38.8 26.9 -1.0 78 79 O S B > -j 67 0C 0 -2,-0.4 4,-1.6 -12,-0.3 -10,-0.2 -0.449 27.5-107.0 -97.8 167.6 39.8 30.4 -2.4 79 80 O L H > S+ 0 0 5 -12,-1.7 4,-3.7 2,-0.2 5,-0.1 0.829 115.6 53.7 -54.9 -46.4 38.4 34.0 -2.5 80 81 O P H > S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.949 109.2 50.6 -59.6 -44.4 37.5 34.0 -6.2 81 82 O I H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.889 115.1 41.7 -60.4 -42.5 35.4 30.8 -5.6 82 83 O L H <>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 4,-0.5 0.909 111.2 57.6 -72.8 -40.3 33.6 32.4 -2.6 83 84 O K H ><5S+ 0 0 113 -4,-3.7 3,-1.4 1,-0.2 -2,-0.2 0.911 108.3 45.5 -54.1 -48.6 33.3 35.7 -4.6 84 85 O D H 3<5S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 108.3 58.3 -64.8 -30.8 31.4 33.9 -7.4 85 86 O F T 3<5S- 0 0 13 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.592 119.5-109.2 -78.5 -6.3 29.3 32.1 -4.9 86 87 O G T < 5S+ 0 0 56 -3,-1.4 2,-0.5 -4,-0.5 -3,-0.2 0.691 70.1 140.9 88.4 18.1 28.1 35.3 -3.5 87 88 O V < + 0 0 3 -5,-2.3 -1,-0.3 -8,-0.1 -25,-0.1 -0.834 16.6 167.5 -96.8 127.3 29.9 35.2 -0.1 88 89 O N + 0 0 64 -27,-0.7 33,-4.1 -2,-0.5 2,-0.4 0.406 54.4 68.9-120.1 -1.0 31.2 38.7 0.9 89 90 O W E -de 62 121A 18 -28,-0.7 -26,-1.3 31,-0.2 2,-0.3 -0.936 57.0-179.1-120.0 147.2 32.2 38.2 4.5 90 91 O I E -de 63 122A 0 31,-1.7 33,-3.1 -2,-0.4 2,-0.4 -0.996 23.0-144.2-145.1 144.1 35.0 36.1 5.8 91 92 O V E - e 0 123A 1 -28,-2.1 2,-0.3 -2,-0.3 33,-0.2 -0.904 33.3-178.2 -99.7 133.9 36.4 35.2 9.3 92 93 O L E + e 0 124A 2 31,-3.3 33,-2.2 -2,-0.4 -27,-0.1 -0.997 49.0 21.1-138.0 150.3 40.2 35.0 9.0 93 94 O G S S- 0 0 0 -2,-0.3 5,-0.2 1,-0.2 -1,-0.1 0.699 72.6-177.2 73.8 20.1 43.1 34.1 11.4 94 95 O H >> - 0 0 4 -30,-0.2 3,-2.3 1,-0.2 4,-1.8 -0.289 35.7-120.9 -54.5 135.7 41.0 32.3 13.9 95 96 O S H 3> S+ 0 0 24 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.748 115.8 57.1 -49.7 -33.5 42.9 31.0 17.0 96 97 O E H 3> S+ 0 0 20 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.817 110.5 46.1 -71.5 -19.9 41.9 27.4 16.1 97 98 O R H <> S+ 0 0 7 -3,-2.3 6,-1.6 2,-0.2 4,-1.3 0.805 111.0 49.4 -84.4 -39.6 43.6 28.0 12.7 98 99 O R H < S+ 0 0 45 -4,-1.8 4,-0.3 4,-0.2 -2,-0.2 0.785 116.2 46.0 -69.8 -31.6 46.7 29.6 14.2 99 100 O A H < S+ 0 0 74 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.1 0.937 128.8 15.6 -78.2 -52.9 47.0 26.6 16.6 100 101 O Y H < S+ 0 0 130 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.462 125.7 49.2-105.3 -2.7 46.5 23.6 14.6 101 102 O Y S < S- 0 0 68 -4,-1.3 -3,-0.1 2,-0.1 -1,-0.1 0.217 100.6-109.3-130.3 28.9 46.9 24.8 11.1 102 103 O G + 0 0 49 -4,-0.3 2,-1.0 1,-0.2 -4,-0.2 0.595 54.3 159.7 66.1 15.0 50.0 26.7 10.8 103 104 O E - 0 0 11 -6,-1.6 -1,-0.2 -9,-0.1 -2,-0.1 -0.572 20.0-171.8 -73.9 101.0 48.6 30.2 10.4 104 105 O T > - 0 0 59 -2,-1.0 4,-1.8 -3,-0.1 5,-0.2 -0.176 41.4 -97.1 -79.0-176.2 51.4 32.5 11.3 105 106 O N H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 127.2 51.7 -68.8 -35.5 51.0 36.1 11.7 106 107 O E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.890 108.3 49.8 -68.6 -37.1 52.4 36.5 8.2 107 108 O I H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.923 112.0 47.3 -69.0 -45.5 49.9 34.0 6.7 108 109 O V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.911 111.2 52.7 -60.6 -46.3 46.9 35.6 8.3 109 110 O A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.928 110.4 45.9 -62.2 -42.4 48.0 39.1 7.2 110 111 O D H X S+ 0 0 78 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.910 112.6 51.6 -66.6 -34.5 48.4 38.1 3.6 111 112 O K H X S+ 0 0 24 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.943 111.8 47.3 -64.5 -41.0 45.0 36.4 3.7 112 113 O V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.922 110.6 51.1 -64.1 -49.9 43.5 39.5 5.1 113 114 O A H X S+ 0 0 24 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.929 110.7 49.2 -57.1 -43.6 45.2 41.7 2.5 114 115 O A H X S+ 0 0 14 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.928 110.6 49.1 -61.1 -45.3 43.9 39.5 -0.3 115 116 O A H <>S+ 0 0 0 -4,-1.9 5,-1.7 2,-0.2 3,-0.4 0.966 112.2 47.8 -60.0 -52.2 40.3 39.5 0.9 116 117 O V H ><5S+ 0 0 10 -4,-2.5 3,-2.6 1,-0.3 -2,-0.2 0.949 108.1 55.2 -54.4 -49.4 40.3 43.2 1.3 117 118 O A H 3<5S+ 0 0 91 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.851 109.8 51.2 -50.9 -33.5 41.8 43.5 -2.2 118 119 O S T 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.350 120.0-102.9 -91.4 9.9 38.8 41.5 -3.3 119 120 O G T < 5 + 0 0 24 -3,-2.6 -3,-0.2 -4,-0.2 2,-0.1 0.577 69.8 142.9 90.1 -1.9 36.0 43.4 -1.7 120 121 O F < - 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0 0 24 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.0 -0.393 62.4-141.9 -72.2 149.8 28.6 11.3 -22.3 281 32 T S - 0 0 108 -2,-0.1 2,-0.5 25,-0.0 -2,-0.1 -0.943 16.5-177.5-114.7 130.0 28.0 7.7 -23.0 282 33 T I + 0 0 12 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.893 8.7 175.7-135.2 102.5 29.9 5.0 -21.3 283 34 T N + 0 0 147 -2,-0.5 -1,-0.1 2,-0.1 2,-0.1 0.764 60.1 71.7 -76.8 -28.5 29.2 1.5 -22.3 284 35 T H S S- 0 0 35 214,-0.1 2,-0.6 1,-0.1 215,-0.0 -0.439 92.4 -89.5 -92.9 171.4 31.8 -0.2 -20.2 285 36 T D + 0 0 97 214,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.675 67.1 128.0 -81.1 110.6 32.3 -0.8 -16.5 286 37 T V - 0 0 3 -2,-0.6 2,-0.6 -32,-0.2 -30,-0.2 -0.944 50.5-134.0-159.1 145.4 34.2 2.1 -14.9 287 38 T Q E -l 256 0E 37 -32,-1.5 -30,-1.9 -2,-0.3 2,-0.4 -0.946 22.1-157.4-106.9 118.9 33.3 4.1 -11.9 288 39 T C E -ln 257 309E 0 20,-3.5 22,-1.9 -2,-0.6 2,-0.4 -0.801 7.8-166.0 -99.6 143.8 33.8 7.9 -12.5 289 40 T V E -ln 258 310E 1 -32,-1.7 -30,-4.0 -2,-0.4 2,-0.5 -0.988 10.1-158.9-130.3 139.1 34.3 10.2 -9.6 290 41 T V E -ln 259 311E 1 20,-2.8 22,-2.2 -2,-0.4 2,-0.9 -0.977 3.9-165.9-117.7 112.9 34.1 13.9 -9.4 291 42 T A E +ln 260 312E 2 -32,-3.4 -30,-2.0 -2,-0.5 -29,-0.4 -0.847 18.9 175.0-102.6 98.7 35.9 15.6 -6.5 292 43 T S - 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