==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 11-MAR-08 3CI7 . COMPND 2 MOLECULE: BOVINE PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.M.ISLAM,S.SOHYA,K.NOGUCHI,M.YOHDA,Y.KURODA . 229 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 50.2 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 . 40 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 21 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 4 0 0 0 0 0 4 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 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 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 R 0 0 119 0, 0.0 54,-0.1 0, 0.0 57,-0.1 0.000 360.0 360.0 360.0 130.4 3.2 -23.8 -20.1 2 2 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.267 360.0-127.3 -55.9 140.3 0.5 -23.1 -17.6 3 3 A A G > S+ 0 0 85 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.838 105.6 66.5 -59.3 -31.8 -2.1 -20.7 -19.0 4 4 A F G > S+ 0 0 49 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.744 85.6 72.7 -61.3 -26.2 -1.8 -18.3 -16.0 5 5 A a G < S+ 0 0 0 -3,-1.9 20,-0.4 1,-0.3 -1,-0.3 0.640 95.2 53.0 -63.0 -14.9 1.8 -17.6 -17.1 6 6 A L G < S+ 0 0 117 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.350 85.5 107.5 -97.9 -4.1 0.2 -15.5 -20.0 7 7 A E S < S- 0 0 51 -3,-1.6 16,-0.1 -4,-0.2 3,-0.1 -0.586 78.0-110.7 -76.2 134.7 -2.0 -13.4 -17.7 8 8 A P - 0 0 50 0, 0.0 35,-0.3 0, 0.0 2,-0.1 -0.273 40.9 -94.0 -60.2 154.0 -0.9 -9.8 -17.3 9 9 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.490 39.0-142.3 -72.8 139.0 0.5 -8.8 -13.9 10 10 A Y - 0 0 91 33,-0.3 31,-0.3 1,-0.1 26,-0.2 -0.900 19.0-171.8-113.1 112.5 -2.1 -7.4 -11.5 11 11 A A - 0 0 51 -2,-0.6 25,-2.6 24,-0.2 27,-0.4 0.895 34.3-160.9 -65.0 -39.3 -1.3 -4.5 -9.2 12 12 A G - 0 0 24 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.079 34.1 -69.6 76.6 178.1 -4.7 -4.8 -7.4 13 13 A P S S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.499 90.3 114.8 -88.5 -2.2 -6.4 -2.2 -5.3 14 14 A G - 0 0 20 24,-0.4 23,-0.2 -3,-0.3 24,-0.0 -0.218 64.0-134.3 -73.6 157.9 -4.1 -2.2 -2.3 15 15 A K + 0 0 108 22,-0.1 22,-0.2 2,-0.1 -1,-0.1 0.496 67.4 110.9 -90.2 -3.7 -1.9 0.7 -1.2 16 16 A A - 0 0 41 20,-2.4 2,-0.3 1,-0.1 22,-0.1 -0.213 61.2-141.0 -66.2 166.2 1.3 -1.3 -0.5 17 17 A R + 0 0 101 19,-0.1 2,-0.4 20,-0.1 76,-0.2 -0.670 37.3 159.9-129.3 72.6 4.3 -0.9 -2.7 18 18 A I E -A 35 0A 56 17,-2.7 17,-3.3 -2,-0.3 2,-0.5 -0.828 38.3-130.2-104.0 131.7 5.7 -4.5 -3.0 19 19 A I E +A 34 0A 40 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.711 38.2 166.4 -78.8 121.9 8.1 -5.6 -5.7 20 20 A R E -A 33 0A 67 13,-2.7 13,-2.4 -2,-0.5 2,-0.4 -0.794 26.7-126.6-126.6 171.7 6.8 -8.8 -7.3 21 21 A Y E -AB 32 45A 51 24,-2.4 24,-2.4 -2,-0.3 2,-0.3 -0.925 18.8-173.3-123.5 143.4 7.7 -10.7 -10.4 22 22 A F E -A 31 0A 3 9,-2.3 9,-2.6 -2,-0.4 2,-0.6 -0.962 31.5-108.8-130.6 154.0 5.6 -12.0 -13.3 23 23 A Y E -A 30 0A 10 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.775 24.2-158.0 -80.6 117.5 6.4 -14.1 -16.3 24 24 A N E >>> -A 29 0A 7 5,-3.2 4,-1.9 -2,-0.6 5,-1.5 -0.876 6.5-169.1 -93.9 99.2 6.4 -12.1 -19.5 25 25 A A T 345S+ 0 0 38 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.785 80.7 60.1 -65.2 -27.6 5.8 -14.7 -22.1 26 26 A A T 345S+ 0 0 63 1,-0.2 -1,-0.2 -3,-0.1 119,-0.1 0.892 118.4 30.8 -67.8 -34.2 6.6 -12.5 -25.1 27 27 A A T <45S- 0 0 23 -3,-0.5 196,-0.8 2,-0.2 197,-0.4 0.683 100.6-130.8 -94.3 -16.9 10.1 -11.9 -23.7 28 28 A G T <5S+ 0 0 10 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.807 70.5 119.4 69.1 27.5 10.5 -15.3 -22.0 29 29 A A E < -A 24 0A 1 -5,-1.5 -5,-3.2 194,-0.1 2,-0.5 -0.934 67.8-127.4-128.7 149.0 11.6 -13.3 -19.0 30 30 A A E -A 23 0A 4 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.873 40.4-177.7 -94.1 125.3 10.5 -12.9 -15.4 31 31 A Q E -A 22 0A 33 -9,-2.6 -9,-2.3 -2,-0.5 2,-0.1 -0.861 24.4 -99.4-131.5 156.4 10.2 -9.1 -14.7 32 32 A A E +A 21 0A 8 -2,-0.3 133,-0.3 -11,-0.2 2,-0.3 -0.376 36.4 167.8 -79.1 150.3 9.4 -6.8 -11.9 33 33 A F E -A 20 0A 7 -13,-2.4 -13,-2.7 -2,-0.1 2,-0.6 -0.959 37.8-104.4-152.6 160.6 6.1 -5.1 -11.2 34 34 A V E -A 19 0A 17 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.829 32.8-163.4 -95.2 122.0 4.5 -3.2 -8.2 35 35 A Y E -A 18 0A 15 -17,-3.3 -17,-2.7 -2,-0.6 -24,-0.2 -0.850 15.1-146.6-106.6 138.1 2.0 -5.1 -6.2 36 36 A G - 0 0 4 -25,-2.6 -20,-2.4 -2,-0.4 -24,-0.1 0.429 42.0-110.2 -85.2 -1.6 -0.5 -3.3 -3.9 37 37 A G S S+ 0 0 40 -26,-0.2 2,-0.4 -23,-0.2 3,-0.1 0.323 85.5 88.2 94.5 -11.1 -0.7 -6.1 -1.2 38 38 A A S S+ 0 0 35 -27,-0.4 -24,-0.4 1,-0.2 -2,-0.2 -0.962 84.2 3.7-129.9 143.7 -4.3 -7.2 -1.9 39 39 A R S S- 0 0 82 -2,-0.4 -1,-0.2 1,-0.2 -27,-0.0 0.878 74.6-158.4 60.4 44.4 -6.2 -9.6 -4.2 40 40 A A - 0 0 56 -3,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.242 0.5-148.2 -54.2 138.6 -3.1 -11.2 -5.8 41 41 A K - 0 0 99 -31,-0.3 3,-0.1 2,-0.1 -1,-0.1 -0.395 31.5 -93.8 -98.9-178.8 -3.6 -12.9 -9.1 42 42 A R S S+ 0 0 153 1,-0.2 2,-2.0 -2,-0.1 -2,-0.1 0.809 110.5 68.6 -76.5 -32.2 -1.6 -15.9 -10.3 43 43 A N S S+ 0 0 1 -35,-0.3 2,-0.3 -39,-0.1 -33,-0.3 -0.546 78.9 106.1 -91.4 74.4 1.2 -14.4 -12.3 44 44 A N + 0 0 22 -2,-2.0 2,-0.3 -35,-0.1 -22,-0.2 -0.875 43.1 171.5-157.5 111.5 2.8 -12.9 -9.2 45 45 A F B -B 21 0A 36 -24,-2.4 -24,-2.4 -2,-0.3 3,-0.0 -0.916 40.7-126.1-131.9 154.7 5.9 -14.3 -7.6 46 46 A A S S+ 0 0 74 -2,-0.3 2,-0.3 -26,-0.2 3,-0.1 0.708 94.8 17.1 -73.5 -22.3 8.3 -13.3 -4.8 47 47 A S S > S- 0 0 40 -26,-0.1 4,-1.9 1,-0.1 -26,-0.1 -0.988 73.3-116.8-146.1 159.5 11.4 -13.6 -7.1 48 48 A A H > S+ 0 0 8 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.903 116.5 55.6 -57.6 -43.4 12.3 -13.7 -10.8 49 49 A A H > S+ 0 0 41 153,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.897 105.5 51.4 -60.9 -39.5 13.7 -17.2 -10.2 50 50 A D H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 110.0 48.9 -60.0 -46.4 10.4 -18.4 -8.8 51 51 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.897 111.1 50.1 -63.6 -38.0 8.5 -17.1 -11.8 52 52 A L H X S+ 0 0 17 -4,-2.4 4,-2.8 1,-0.2 5,-0.5 0.900 108.0 53.0 -68.2 -39.4 10.9 -18.8 -14.2 53 53 A A H < S+ 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 116.0 40.6 -62.8 -36.9 10.6 -22.1 -12.4 54 54 A A H < S+ 0 0 41 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.858 133.7 13.9 -76.7 -35.3 6.8 -21.9 -12.7 55 55 A a H < S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.574 95.4 85.4-125.8 -13.7 6.5 -20.6 -16.2 56 56 A A S < S+ 0 0 35 -4,-2.8 -3,-0.1 -5,-0.2 -4,-0.1 0.824 71.4 89.2 -71.9 -30.6 9.6 -20.6 -18.4 57 57 A A 0 0 71 -5,-0.5 0, 0.0 -4,-0.2 0, 0.0 -0.441 360.0 360.0 -71.4 143.2 9.3 -24.2 -19.8 58 58 A A 0 0 126 -57,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.771 360.0 360.0 -55.0 360.0 7.3 -24.9 -22.9 59 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 1 B R 0 0 153 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 158.6 33.0 3.0 -8.2 61 2 B P > - 0 0 55 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.325 360.0-122.4 -53.4 143.7 31.2 6.3 -7.7 62 3 B A G > S+ 0 0 83 1,-0.3 3,-2.4 2,-0.2 4,-0.2 0.831 109.5 69.0 -59.1 -28.6 30.4 7.0 -4.1 63 4 B F G > S+ 0 0 58 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.751 81.7 75.4 -64.4 -22.2 26.7 7.3 -5.0 64 5 B b G < S+ 0 0 0 -3,-1.8 20,-0.6 1,-0.3 -1,-0.3 0.604 90.6 58.0 -61.9 -15.3 26.8 3.5 -5.7 65 6 B L G < S+ 0 0 122 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.433 81.8 111.4 -91.9 -4.7 26.8 3.0 -1.9 66 7 B E S < S- 0 0 49 -3,-1.8 18,-0.1 -4,-0.2 16,-0.1 -0.461 70.3-122.4 -68.3 145.3 23.5 4.8 -1.3 67 8 B P - 0 0 101 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.408 48.4 -81.3 -72.5 158.7 20.5 2.9 -0.2 68 9 B P - 0 0 52 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.320 41.3-145.4 -63.5 146.1 17.5 3.3 -2.6 69 10 B Y - 0 0 87 33,-0.3 31,-0.3 1,-0.2 26,-0.2 -0.916 16.9-176.9-119.2 105.2 15.5 6.5 -2.1 70 11 B A - 0 0 50 -2,-0.6 25,-2.6 24,-0.2 27,-0.4 0.877 33.0-158.2 -69.0 -35.5 11.7 6.2 -2.7 71 12 B G - 0 0 26 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.045 34.3 -66.5 77.4 176.4 11.2 9.9 -2.1 72 13 B P S S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.585 93.9 115.1 -82.6 -8.0 8.0 11.7 -1.1 73 14 B G - 0 0 21 24,-0.5 23,-0.2 -3,-0.3 22,-0.0 -0.177 60.1-144.2 -69.3 160.4 6.2 11.0 -4.4 74 15 B K + 0 0 82 21,-0.2 22,-0.2 2,-0.0 -1,-0.1 0.467 62.3 110.8-104.7 -4.2 3.1 8.9 -4.8 75 16 B A - 0 0 44 20,-2.2 2,-0.5 1,-0.1 22,-0.1 -0.284 64.7-132.9 -67.7 166.1 3.8 7.3 -8.2 76 17 B R + 0 0 92 19,-0.1 2,-0.5 20,-0.1 -42,-0.2 -0.806 41.7 157.3-121.6 79.2 4.6 3.6 -8.4 77 18 B I E -C 94 0B 43 17,-2.3 17,-3.2 -2,-0.5 2,-0.5 -0.915 38.6-133.0-114.4 125.5 7.7 3.3 -10.6 78 19 B I E +C 93 0B 25 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.649 36.3 166.4 -74.0 128.3 10.1 0.4 -10.7 79 20 B R E -C 92 0B 68 13,-2.7 13,-2.7 -2,-0.5 2,-0.4 -0.833 26.8-127.0-132.7 170.5 13.7 1.7 -10.6 80 21 B Y E -CD 91 104B 38 24,-2.4 24,-2.6 -2,-0.3 2,-0.3 -0.946 17.3-172.8-122.7 139.6 17.0 -0.0 -9.9 81 22 B F E -C 90 0B 20 9,-2.4 9,-2.7 -2,-0.4 2,-0.6 -0.945 31.4-112.4-123.4 152.6 19.8 0.8 -7.5 82 23 B Y E -C 89 0B 16 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.783 23.2-157.7 -82.4 122.0 23.3 -0.9 -7.2 83 24 B N E >> -C 88 0B 42 5,-2.9 5,-2.0 -2,-0.6 4,-1.3 -0.874 9.1-174.9 -97.4 97.1 23.6 -2.9 -4.0 84 25 B A T 45S+ 0 0 30 -2,-0.9 -1,-0.2 -20,-0.6 -19,-0.1 0.800 81.4 59.2 -70.3 -25.9 27.3 -3.0 -3.5 85 26 B A T 45S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.906 115.7 34.9 -66.4 -36.7 27.0 -5.3 -0.5 86 27 B A T 45S- 0 0 53 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.588 104.5-129.0 -88.4 -13.3 25.2 -7.9 -2.7 87 28 B G T <5S+ 0 0 46 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.919 74.0 101.0 62.3 40.4 27.3 -7.1 -5.8 88 29 B A E S- 0 0 32 -26,-0.1 4,-1.7 1,-0.1 -26,-0.2 -0.970 74.4-118.8-144.8 159.7 17.2 -0.7 -15.7 107 48 B A H > S+ 0 0 4 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.909 115.2 57.3 -62.0 -41.4 19.4 -3.1 -14.0 108 49 B A H > S+ 0 0 9 99,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.888 104.8 50.3 -58.5 -38.7 21.9 -2.9 -16.9 109 50 B D H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 110.1 49.9 -70.6 -33.8 22.2 0.9 -16.4 110 51 B A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.917 113.1 47.0 -65.6 -41.7 22.9 0.4 -12.6 111 52 B L H X S+ 0 0 20 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.921 108.3 55.3 -67.5 -41.2 25.5 -2.2 -13.5 112 53 B A H < S+ 0 0 87 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.920 116.6 37.4 -58.4 -37.1 27.1 0.1 -16.2 113 54 B A H < S+ 0 0 37 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.872 134.6 16.3 -79.5 -35.8 27.5 2.9 -13.6 114 55 B b H < 0 0 3 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.569 360.0 360.0-123.3 -14.6 28.5 0.9 -10.5 115 56 B A < 0 0 64 -4,-2.7 -3,-0.1 -5,-0.2 -4,-0.1 0.900 360.0 360.0 -71.8 360.0 29.6 -2.7 -11.2 116 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 117 1 C R 0 0 117 0, 0.0 54,-0.1 0, 0.0 57,-0.1 0.000 360.0 360.0 360.0 124.0 -8.5 -0.9 -26.0 118 2 C P > - 0 0 62 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.281 360.0-119.8 -56.9 145.8 -7.3 2.7 -26.4 119 3 C A G > S+ 0 0 84 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.791 108.5 66.5 -58.0 -36.4 -6.3 3.7 -30.0 120 4 C F G > S+ 0 0 49 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.704 84.4 74.3 -63.3 -21.4 -2.8 4.5 -29.0 121 5 C c G < S+ 0 0 0 -3,-2.0 20,-0.6 1,-0.3 -1,-0.3 0.575 90.7 59.5 -63.7 -12.6 -2.2 0.8 -28.2 122 6 C L G < S+ 0 0 125 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.401 81.2 111.6 -93.3 -1.5 -2.2 0.3 -32.0 123 7 C E < - 0 0 42 -3,-1.9 16,-0.1 -4,-0.2 3,-0.1 -0.475 69.4-124.1 -70.5 143.1 0.8 2.6 -32.6 124 8 C P - 0 0 101 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.417 45.1 -84.0 -72.6 161.7 4.1 1.1 -33.7 125 9 C P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.333 37.7-150.1 -69.8 149.3 7.1 2.0 -31.4 126 10 C Y - 0 0 85 33,-0.3 31,-0.3 1,-0.1 23,-0.1 -0.947 14.5-176.7-123.6 109.4 8.9 5.3 -31.9 127 11 C A - 0 0 47 -2,-0.5 25,-2.7 24,-0.1 27,-0.4 0.846 30.2-161.3 -70.3 -37.8 12.6 5.5 -31.0 128 12 C G - 0 0 25 1,-0.2 27,-0.1 23,-0.2 -1,-0.1 -0.073 33.8 -72.9 75.2 176.7 12.9 9.2 -31.8 129 13 C P S S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 0.351 84.5 125.0 -91.4 3.6 16.1 11.2 -32.5 130 14 C G - 0 0 16 24,-0.4 23,-0.2 -3,-0.4 24,-0.1 -0.243 60.1-136.4 -73.6 157.8 17.5 11.2 -28.9 131 15 C K S S+ 0 0 177 22,-0.1 22,-0.2 2,-0.1 -1,-0.1 0.397 71.1 106.3 -90.2 -0.2 21.0 10.1 -27.9 132 16 C A - 0 0 41 20,-2.3 2,-0.4 1,-0.0 22,-0.1 -0.353 63.9-141.6 -69.9 164.6 19.8 8.2 -24.7 133 17 C R + 0 0 82 20,-0.1 2,-0.4 19,-0.1 19,-0.2 -0.843 37.2 157.0-130.4 91.2 19.8 4.4 -24.8 134 18 C I E -E 151 0C 29 17,-2.2 17,-3.1 -2,-0.4 2,-0.6 -0.969 38.0-137.1-122.7 122.7 16.6 3.3 -22.9 135 19 C I E +E 150 0C 33 -2,-0.4 2,-0.2 15,-0.2 15,-0.2 -0.735 35.7 168.2 -81.4 125.9 14.7 0.0 -23.2 136 20 C R E -E 149 0C 64 13,-2.8 13,-2.6 -2,-0.6 2,-0.4 -0.717 26.4-123.3-122.3 175.4 11.0 0.8 -23.2 137 21 C Y E -EF 148 161C 21 24,-2.4 24,-3.0 11,-0.3 2,-0.3 -0.960 16.8-170.2-127.6 141.6 8.0 -1.3 -24.0 138 22 C F E -E 147 0C 12 9,-2.4 9,-2.7 -2,-0.4 2,-0.6 -0.918 31.4-111.8-121.6 152.5 5.1 -0.9 -26.5 139 23 C Y E -E 146 0C 10 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.802 23.7-157.7 -83.0 124.0 1.9 -2.9 -26.7 140 24 C N E >> -E 145 0C 40 5,-2.9 5,-1.8 -2,-0.6 4,-1.3 -0.857 9.1-175.2 -99.7 96.7 1.9 -5.0 -29.8 141 25 C A T 45S+ 0 0 31 -2,-0.9 -1,-0.2 -20,-0.6 -19,-0.1 0.833 80.9 59.0 -68.8 -27.6 -1.8 -5.7 -30.3 142 26 C A T 45S+ 0 0 106 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.840 116.1 35.1 -66.3 -32.7 -1.2 -8.0 -33.3 143 27 C A T 45S- 0 0 68 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.544 105.7-129.1 -93.9 -11.7 0.9 -10.3 -31.0 144 28 C G T <5S+ 0 0 46 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.853 73.6 88.9 67.0 33.3 -1.2 -9.7 -27.9 145 29 C A E S- 0 0 21 -26,-0.1 4,-1.9 1,-0.1 -26,-0.1 -0.961 72.5-113.0-150.9 157.9 7.9 -1.6 -18.3 164 48 C A H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.887 117.5 58.3 -60.5 -40.7 6.0 -4.5 -19.8 165 49 C A H > S+ 0 0 9 -133,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.904 106.5 47.5 -58.1 -41.5 3.7 -4.5 -16.8 166 50 C D H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.891 111.6 49.8 -65.4 -41.3 2.7 -0.9 -17.5 167 51 C A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.941 113.6 46.2 -63.3 -42.7 2.1 -1.6 -21.2 168 52 C L H X>S+ 0 0 19 -4,-2.8 4,-2.5 1,-0.2 5,-0.5 0.896 107.2 57.1 -69.8 -37.6 -0.1 -4.5 -20.3 169 53 C A H <5S+ 0 0 84 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.871 116.9 35.6 -60.8 -36.5 -2.0 -2.6 -17.7 170 54 C A H <5S+ 0 0 42 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.852 135.1 16.5 -81.0 -37.1 -3.0 0.0 -20.2 171 55 C c H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.596 96.4 84.3-121.9 -14.6 -3.5 -2.0 -23.3 172 56 C A T <5S+ 0 0 24 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.903 74.4 84.4 -63.4 -43.7 -3.8 -5.8 -22.7 173 57 C A < 0 0 74 -5,-0.5 0, 0.0 -4,-0.2 0, 0.0 -0.347 360.0 360.0 -67.0 137.9 -7.6 -5.8 -22.0 174 58 C A 0 0 128 -57,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 0.834 360.0 360.0 -56.9 360.0 -9.8 -5.9 -25.0 175 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 176 1 D R 0 0 165 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 103.0 27.1 -22.9 -14.8 177 2 D P > - 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