==== 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 OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 16-JUL-10 3NZ9 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PNEUMOCYSTIS CARINII; . AUTHOR V.CODY . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 10.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 15 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 0 0 1 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 . 1 2 1 0 0 0 1 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 . 1 0 0 0 0 0 0 1 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 X M 0 0 209 0, 0.0 3,-0.1 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 35.4 -8.7 15.8 25.7 2 2 X N + 0 0 37 104,-0.0 2,-0.3 1,-0.0 3,-0.2 0.474 360.0 63.2-145.1 -21.1 -5.7 13.5 25.3 3 3 X Q + 0 0 78 1,-0.2 3,-0.0 99,-0.0 99,-0.0 -0.452 56.6 119.9-121.9 58.3 -6.7 9.9 24.9 4 4 X Q + 0 0 98 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.422 68.5 51.7-101.3 -3.9 -8.6 9.8 21.6 5 5 X K S S- 0 0 68 -3,-0.2 2,-0.1 114,-0.0 -1,-0.1 -0.998 73.5-124.5-140.8 147.5 -6.4 7.3 19.7 6 6 X S - 0 0 46 -2,-0.3 114,-0.6 132,-0.0 2,-0.3 -0.439 29.1-128.6 -70.6 152.6 -4.8 3.9 20.2 7 7 X L E -ab 120 138A 0 130,-2.4 132,-2.0 -2,-0.1 133,-0.8 -0.805 15.6-155.8 -97.6 153.1 -1.0 3.5 19.9 8 8 X T E -ab 121 140A 6 112,-1.7 114,-2.2 -2,-0.3 2,-0.4 -0.990 5.6-150.0-128.6 132.4 0.6 0.8 17.7 9 9 X L E -ab 122 141A 0 131,-3.1 133,-3.2 -2,-0.4 2,-0.4 -0.847 9.7-163.8-100.9 139.7 4.1 -0.5 18.3 10 10 X I E + b 0 142A 3 112,-2.4 2,-0.3 -2,-0.4 133,-0.2 -0.994 20.7 154.0-130.2 133.2 6.2 -1.6 15.3 11 11 X V E - b 0 143A 6 131,-2.3 133,-2.8 -2,-0.4 2,-0.5 -0.992 37.8-142.6-157.3 147.6 9.3 -3.7 15.8 12 12 X A E + b 0 144A 15 -2,-0.3 2,-0.3 131,-0.2 133,-0.2 -0.987 39.6 166.8-115.4 127.5 11.6 -6.3 14.1 13 13 X L E - b 0 145A 0 131,-3.3 133,-2.9 -2,-0.5 6,-0.2 -0.994 33.2-118.6-146.5 154.8 12.8 -8.9 16.6 14 14 X T E > - b 0 146A 1 4,-2.1 3,-2.4 -2,-0.3 133,-0.2 -0.336 42.4 -99.6 -85.2 171.4 14.5 -12.3 16.9 15 15 X T T 3 S+ 0 0 62 131,-1.2 134,-0.1 1,-0.3 -1,-0.1 0.643 129.8 55.2 -63.4 -14.4 12.9 -15.4 18.5 16 16 X S T 3 S- 0 0 53 132,-0.2 -1,-0.3 2,-0.1 133,-0.1 0.278 123.1-109.6 -97.1 14.8 15.0 -14.4 21.5 17 17 X Y < + 0 0 13 -3,-2.4 139,-3.2 1,-0.2 2,-0.3 0.638 63.9 158.4 66.0 14.0 13.4 -10.9 21.5 18 18 X G E +I 155 0B 0 137,-0.2 -4,-2.1 1,-0.1 -1,-0.2 -0.562 13.0 165.9 -68.0 135.9 16.6 -9.3 20.4 19 19 X I E + 0 0 15 135,-2.5 2,-0.3 -2,-0.3 136,-0.2 0.525 53.4 7.1-124.3 -11.6 16.2 -5.9 18.7 20 20 X G E -I 154 0B 9 134,-1.4 133,-2.1 5,-0.2 134,-1.4 -0.983 42.6-163.7-165.9 171.6 19.5 -4.3 18.4 21 21 X R B > S+J 24 0C 106 3,-2.4 3,-1.4 -2,-0.3 131,-0.0 -0.903 78.5 2.6-165.6 129.6 23.3 -4.3 18.8 22 22 X S T 3 S- 0 0 86 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.930 127.3 -60.6 60.1 48.5 25.9 -1.5 18.9 23 23 X N T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.762 125.9 73.8 36.7 38.4 23.2 1.1 18.7 24 24 X S B < S-J 21 0C 56 -3,-1.4 -3,-2.4 41,-0.0 -1,-0.2 -0.868 94.3 -76.3-147.9-174.4 22.0 -0.2 15.3 25 25 X L - 0 0 85 -2,-0.3 -5,-0.2 -5,-0.2 127,-0.0 -0.810 30.7-142.7 -87.8 129.9 20.2 -3.2 13.8 26 26 X P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 125,-0.1 0.120 82.8 56.1 -83.4 29.0 22.2 -6.4 13.7 27 27 X W S S- 0 0 20 123,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.955 70.8-142.1-141.3 166.3 20.7 -7.3 10.3 28 28 X K + 0 0 152 -2,-0.3 2,-0.4 165,-0.1 0, 0.0 -0.889 31.6 160.2-131.1 100.5 20.4 -5.5 7.0 29 29 X L > - 0 0 3 -2,-0.4 4,-2.9 1,-0.1 3,-0.3 -0.805 17.9-175.6-128.1 90.3 17.0 -6.2 5.4 30 30 X K H > S+ 0 0 156 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.855 88.7 47.8 -52.2 -40.3 15.9 -3.7 2.6 31 31 X K H > S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 110.1 52.4 -74.9 -32.3 12.5 -5.3 2.2 32 32 X E H > S+ 0 0 14 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.933 111.3 47.1 -65.8 -48.1 11.9 -5.4 5.9 33 33 X I H X S+ 0 0 94 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.907 109.3 54.7 -58.0 -39.0 12.7 -1.6 6.1 34 34 X S H X S+ 0 0 66 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.854 107.5 50.3 -65.5 -36.7 10.4 -1.1 3.1 35 35 X Y H X S+ 0 0 4 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.932 109.4 50.2 -60.8 -51.6 7.6 -2.8 5.0 36 36 X F H X S+ 0 0 41 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.941 113.0 47.4 -51.1 -46.9 8.3 -0.5 8.1 37 37 X K H X S+ 0 0 127 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.946 114.6 46.2 -67.0 -44.4 8.2 2.5 5.8 38 38 X R H X S+ 0 0 79 -4,-2.6 4,-2.3 -5,-0.2 3,-0.4 0.956 115.3 44.8 -63.1 -45.2 5.0 1.4 4.1 39 39 X V H < S+ 0 0 1 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.942 115.6 46.5 -65.0 -46.3 3.2 0.5 7.3 40 40 X T H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.677 118.7 42.9 -71.6 -10.3 4.2 3.7 9.1 41 41 X S H < S+ 0 0 47 -4,-1.3 12,-0.2 -3,-0.4 -1,-0.2 0.714 84.1 113.6-105.8 -26.0 3.3 5.9 6.1 42 42 X F < + 0 0 50 -4,-2.3 77,-0.1 -5,-0.2 140,-0.0 -0.283 33.3 169.0 -57.7 120.4 -0.1 4.3 5.0 43 43 X V - 0 0 18 -2,-0.1 5,-0.2 75,-0.1 138,-0.0 -0.999 44.8-101.7-125.5 127.7 -3.1 6.5 5.4 44 44 X P >> - 0 0 44 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.225 39.3-111.1 -48.0 146.9 -6.5 5.4 3.9 45 45 X T T 34 S+ 0 0 115 1,-0.3 3,-0.5 2,-0.2 4,-0.1 0.867 112.6 49.0 -55.7 -52.7 -7.1 7.3 0.6 46 46 X F T >4 S+ 0 0 175 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.872 116.3 44.8 -52.8 -40.7 -10.1 9.5 1.6 47 47 X D G X> S+ 0 0 74 -3,-0.6 4,-2.2 1,-0.2 3,-1.6 0.750 94.8 78.8 -76.1 -27.2 -8.2 10.6 4.9 48 48 X S G 3< + 0 0 60 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.1 0.294 63.0 92.4 -76.7 9.2 -4.9 11.2 3.2 49 49 X F G <4 S- 0 0 178 -3,-0.7 -1,-0.3 -4,-0.1 -2,-0.1 0.863 121.9 -10.5 -68.8 -32.5 -6.0 14.6 1.8 50 50 X E T <4 S+ 0 0 102 -3,-1.6 66,-1.1 65,-0.0 -2,-0.2 0.535 107.8 116.5-135.6 -13.3 -4.5 16.0 5.0 51 51 X S E < +c 116 0A 25 -4,-2.2 2,-0.3 64,-0.2 66,-0.2 -0.243 33.4 178.4 -61.0 138.5 -3.7 13.0 7.3 52 52 X M E -c 117 0A 51 64,-2.5 66,-2.7 -10,-0.0 2,-0.2 -0.987 23.5-127.9-132.7 147.5 -0.1 12.2 8.4 53 53 X N E - 0 0 1 21,-0.5 23,-2.8 -2,-0.3 2,-0.4 -0.598 22.1-129.2 -88.7 163.1 1.0 9.3 10.7 54 54 X V E -cd 120 76A 0 65,-2.5 67,-2.7 21,-0.2 2,-0.5 -0.873 11.5-158.1-114.5 136.7 3.2 10.0 13.7 55 55 X V E -cd 121 77A 0 21,-2.7 23,-2.5 -2,-0.4 2,-0.5 -0.979 8.6-166.3-113.5 119.8 6.4 8.1 14.6 56 56 X L E +cd 122 78A 0 65,-2.9 67,-3.1 -2,-0.5 68,-0.5 -0.903 17.4 165.9-103.3 131.1 7.5 8.3 18.2 57 57 X M E - d 0 79A 0 21,-2.4 23,-2.7 -2,-0.5 68,-0.3 -0.983 35.3-107.5-145.2 154.2 11.0 7.1 19.0 58 58 X G E > - d 0 80A 13 66,-2.5 4,-2.0 -2,-0.3 23,-0.2 -0.248 38.4-108.8 -71.3 165.5 13.6 7.3 21.8 59 59 X R H > S+ 0 0 87 21,-1.0 4,-2.1 2,-0.2 5,-0.2 0.885 118.6 55.1 -66.8 -38.1 16.6 9.5 21.5 60 60 X K H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 110.1 46.8 -67.0 -33.6 19.0 6.5 21.0 61 61 X T H > S+ 0 0 30 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.864 108.5 55.8 -65.4 -39.6 16.8 5.3 18.1 62 62 X W H >< S+ 0 0 9 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.952 112.6 41.0 -54.8 -48.1 16.8 8.8 16.7 63 63 X E H 3< S+ 0 0 98 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.793 108.6 63.5 -73.4 -31.0 20.7 8.7 16.7 64 64 X S H 3< S+ 0 0 40 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.744 84.4 86.9 -62.1 -34.7 20.7 5.1 15.4 65 65 X I S << S- 0 0 29 -4,-1.5 5,-0.1 -3,-0.5 -41,-0.0 -0.582 97.5-100.7 -73.7 131.4 19.0 6.1 12.1 66 66 X P > - 0 0 76 0, 0.0 3,-2.9 0, 0.0 4,-0.3 -0.274 29.5-120.8 -51.5 133.5 21.6 7.2 9.5 67 67 X L G > S+ 0 0 136 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.819 111.9 68.5 -46.0 -31.8 21.6 11.0 9.3 68 68 X Q G 3 S+ 0 0 153 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.811 100.3 47.1 -57.7 -27.6 20.6 10.6 5.7 69 69 X F G < S+ 0 0 111 -3,-2.9 4,-0.4 3,-0.1 -1,-0.2 0.403 88.7 143.4-104.7 5.5 17.2 9.2 6.7 70 70 X R < + 0 0 59 -3,-1.3 2,-0.2 -4,-0.3 -8,-0.0 -0.771 57.7 26.0-108.4 144.2 16.2 11.8 9.4 71 71 X P S S- 0 0 53 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.732 102.4-109.0 -64.7 166.5 13.6 13.0 10.0 72 72 X L > - 0 0 16 -2,-0.2 3,-1.4 1,-0.1 -2,-0.1 -0.496 46.1-109.8 -67.3 117.9 11.6 10.0 8.7 73 73 X K T 3 S+ 0 0 173 -2,-0.5 -1,-0.1 -4,-0.4 3,-0.1 -0.088 87.9 5.7 -60.4 135.5 10.0 11.4 5.6 74 74 X G T 3 S+ 0 0 58 1,-0.2 -21,-0.5 -3,-0.1 2,-0.4 0.582 109.4 93.2 76.3 7.4 6.3 12.0 5.3 75 75 X R S < S- 0 0 18 -3,-1.4 2,-0.7 -23,-0.1 -21,-0.2 -0.968 83.4-111.0-126.4 150.4 5.6 11.2 8.9 76 76 X I E -d 54 0A 10 -23,-2.8 -21,-2.7 -2,-0.4 2,-0.4 -0.704 40.6-153.5 -75.4 117.6 5.4 13.5 11.9 77 77 X N E -d 55 0A 15 -2,-0.7 16,-0.6 -23,-0.2 2,-0.4 -0.769 16.0-177.8 -96.0 137.2 8.5 12.6 14.0 78 78 X V E -de 56 93A 0 -23,-2.5 -21,-2.4 -2,-0.4 2,-0.6 -0.986 13.7-152.3-132.1 123.6 8.8 13.0 17.8 79 79 X V E -de 57 94A 1 14,-2.9 16,-2.1 -2,-0.4 2,-0.6 -0.857 11.5-147.1 -94.0 121.2 11.9 12.2 19.8 80 80 X I E +de 58 95A 20 -23,-2.7 -21,-1.0 -2,-0.6 2,-0.3 -0.795 32.4 153.4 -86.6 118.9 11.2 11.3 23.4 81 81 X T - 0 0 18 14,-2.8 3,-0.1 -2,-0.6 -2,-0.0 -0.997 47.5-137.6-146.7 153.1 14.0 12.3 25.8 82 82 X R S S+ 0 0 221 -2,-0.3 2,-0.3 1,-0.2 14,-0.1 0.270 94.8 62.4 -83.8 4.2 14.3 13.2 29.6 83 83 X N S S- 0 0 119 12,-0.2 3,-0.2 3,-0.0 -1,-0.2 -0.745 85.7-131.4-143.3 86.4 16.6 16.2 28.8 84 84 X E + 0 0 162 -2,-0.3 2,-0.1 1,-0.2 -2,-0.0 -0.503 58.2 102.2 -85.5 153.0 15.2 19.0 26.6 85 85 X S S S- 0 0 56 -2,-0.2 -1,-0.2 -4,-0.0 9,-0.1 -0.059 70.7-102.3 133.5-160.6 17.0 20.1 24.1 86 86 X L - 0 0 105 -3,-0.2 -7,-0.1 -2,-0.1 -2,-0.0 0.089 20.1-133.0 174.9 -78.9 16.6 19.5 20.5 87 87 X D S S- 0 0 49 2,-0.0 -3,-0.0 7,-0.0 5,-0.0 0.627 73.7 -77.9 81.5 16.5 19.0 16.9 18.8 88 88 X L S S- 0 0 144 1,-0.2 2,-0.3 4,-0.1 -2,-0.0 0.826 76.9-177.3 50.2 110.9 19.4 19.7 16.2 89 89 X G - 0 0 37 3,-0.0 2,-1.3 -18,-0.0 -1,-0.2 -0.964 39.5-139.2-154.8 133.6 16.3 19.5 14.1 90 90 X N S S- 0 0 155 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.645 105.5 -21.1 -87.7 85.9 14.5 21.0 11.1 91 91 X G S S+ 0 0 71 -2,-1.3 2,-0.6 1,-0.2 -1,-0.2 0.293 102.5 165.9 93.6 -0.9 10.9 21.1 12.4 92 92 X I - 0 0 26 1,-0.1 -1,-0.2 -14,-0.0 -14,-0.1 -0.373 26.3-146.1 -79.0 91.8 11.9 18.4 15.0 93 93 X H E -e 78 0A 43 -2,-0.6 -14,-2.9 -16,-0.6 2,-0.3 -0.116 14.2-171.4 -54.6 139.0 9.6 17.7 17.9 94 94 X S E +e 79 0A 32 -16,-0.2 2,-0.3 -9,-0.1 -14,-0.2 -0.961 7.4 171.4-135.0 140.3 10.8 16.7 21.3 95 95 X A E -e 80 0A 11 -16,-2.1 -14,-2.8 -2,-0.3 -12,-0.2 -0.992 33.6-133.8-154.0 157.6 8.9 15.5 24.4 96 96 X K S S+ 0 0 112 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.453 85.8 9.9 -97.3 1.6 9.9 14.1 27.8 97 97 X S S > S- 0 0 35 1,-0.1 4,-2.7 -15,-0.0 5,-0.2 -0.985 78.4 -99.2-165.7 169.2 7.4 11.3 27.8 98 98 X L H > S+ 0 0 11 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.950 124.1 44.5 -63.8 -43.1 4.9 9.3 25.7 99 99 X D H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 111.0 52.6 -74.7 -28.4 2.0 11.3 27.2 100 100 X H H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 109.4 51.8 -69.9 -35.2 3.8 14.7 26.8 101 101 X A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.921 109.8 47.7 -59.9 -44.7 4.3 13.7 23.2 102 102 X L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.920 112.3 49.8 -63.4 -43.4 0.6 12.9 22.8 103 103 X E H X S+ 0 0 78 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.928 111.3 49.1 -60.5 -43.8 -0.3 16.2 24.5 104 104 X L H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.883 112.1 49.2 -62.1 -41.1 2.1 18.1 22.2 105 105 X L H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.923 111.8 46.8 -67.9 -41.3 0.7 16.4 19.1 106 106 X Y H < S+ 0 0 35 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.903 115.7 45.9 -71.4 -37.6 -3.0 17.1 20.0 107 107 X R H < S+ 0 0 150 -4,-2.5 3,-0.5 -5,-0.2 -1,-0.2 0.929 120.9 38.9 -63.1 -45.9 -2.2 20.8 20.8 108 108 X T H < S+ 0 0 56 -4,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.831 120.6 42.6 -75.6 -37.4 -0.1 21.1 17.5 109 109 X Y S < S+ 0 0 43 -4,-3.0 8,-0.5 -5,-0.2 -1,-0.2 -0.467 85.4 156.7-113.6 59.0 -2.3 19.1 15.2 110 110 X G > - 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