==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-NOV-12 4I0W . COMPND 2 MOLECULE: PROTEASE CSPB; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR C.M.ADAMS,B.E.ECKENROTH,S.DOUBLIE . 1121 7 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 792 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 113 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 1 0 2 2 2 1 6 5 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 6 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 PARALLEL BRIDGES PER LADDER . 16 8 5 2 8 4 4 2 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 . 2 0 4 0 4 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 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 5 A A 0 0 115 0, 0.0 2,-0.2 0, 0.0 1068,-0.0 0.000 360.0 360.0 360.0 142.5 53.3 52.9 11.3 2 6 A K + 0 0 80 2,-0.1 2,-0.6 1067,-0.0 74,-0.1 -0.517 360.0 152.3-121.4 63.0 56.6 51.0 11.5 3 7 A V - 0 0 47 -2,-0.2 2,-0.4 72,-0.1 6,-0.0 -0.847 31.9-147.6 -98.4 119.6 58.9 53.5 13.2 4 8 A G - 0 0 33 -2,-0.6 2,-0.4 4,-0.1 -2,-0.1 -0.714 15.4-175.5 -94.7 131.9 61.6 51.9 15.2 5 9 A I >>> - 0 0 10 -2,-0.4 3,-2.1 7,-0.0 4,-1.7 -0.995 39.5 -99.8-122.7 127.9 63.1 53.3 18.4 6 10 A D B 345S-a 10 0A 57 -2,-0.4 5,-0.2 1,-0.3 0, 0.0 -0.115 100.3 -1.2 -51.6 132.4 66.1 51.5 20.0 7 11 A F T 345S+ 0 0 48 3,-2.3 -1,-0.3 1,-0.1 4,-0.1 0.521 124.2 73.1 64.2 8.7 65.3 49.2 23.0 8 12 A I T <45S- 0 0 7 -3,-2.1 -2,-0.2 2,-0.3 -1,-0.1 0.739 123.8 -12.2-109.0 -60.5 61.6 50.1 22.8 9 13 A N T <5S+ 0 0 15 -4,-1.7 2,-0.3 1,-0.1 68,-0.2 0.222 132.1 35.0-125.7 11.1 60.2 48.3 19.7 10 14 A T B - 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.154 33.7-116.7 -50.5 146.9 70.0 48.3 17.8 13 17 A K H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.876 111.8 49.7 -58.3 -46.4 71.6 47.4 14.4 14 18 A Q H > S+ 0 0 39 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.796 112.9 48.5 -66.6 -28.2 75.0 46.5 15.8 15 19 A I H > S+ 0 0 31 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.860 108.1 54.3 -78.1 -37.7 73.4 44.2 18.4 16 20 A L H X S+ 0 0 40 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 107.8 50.4 -58.0 -46.1 71.2 42.6 15.8 17 21 A T H X S+ 0 0 88 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.884 111.7 47.5 -61.5 -41.0 74.3 41.7 13.7 18 22 A S H X S+ 0 0 77 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.902 111.6 49.9 -67.5 -42.3 76.0 40.2 16.7 19 23 A L H X S+ 0 0 28 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.863 111.7 50.5 -64.2 -37.2 72.9 38.2 17.7 20 24 A I H X S+ 0 0 79 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.958 107.5 50.8 -65.6 -53.9 72.7 37.0 14.1 21 25 A E H < S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.943 116.7 43.7 -48.3 -42.1 76.3 35.8 13.9 22 26 A Q H < S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 129.1 17.7 -78.9 -38.7 75.8 33.9 17.1 23 27 A Y H ><>S+ 0 0 102 -4,-2.2 5,-2.5 -5,-0.1 3,-0.6 0.534 98.1 91.3-112.4 -10.8 72.5 32.2 16.7 24 28 A S G ><5S+ 0 0 44 -4,-2.4 3,-0.8 -5,-0.3 -3,-0.1 0.757 70.0 71.0 -61.1 -34.4 71.7 32.3 13.0 25 29 A P G 3 5S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.885 119.6 18.5 -56.8 -41.7 73.2 29.0 11.9 26 30 A N G < 5S- 0 0 87 -3,-0.6 -2,-0.2 3,-0.0 3,-0.1 0.200 107.0-115.0-110.4 13.8 70.5 27.0 13.6 27 31 A N T < 5 - 0 0 50 -3,-0.8 -3,-0.2 -4,-0.3 42,-0.1 0.912 50.0-167.9 51.1 45.6 68.0 29.8 13.9 28 32 A G < - 0 0 23 -5,-2.5 40,-1.6 39,-0.1 2,-0.3 -0.272 19.5-111.5 -66.5 148.2 68.3 29.5 17.7 29 33 A E E -B 67 0B 101 38,-0.2 2,-0.3 -3,-0.1 38,-0.3 -0.590 29.8-159.9 -79.1 141.2 66.0 31.3 20.0 30 34 A I E -B 66 0B 7 36,-2.6 36,-1.9 -2,-0.3 2,-0.4 -0.826 12.6-126.9-116.9 157.4 67.2 34.2 22.1 31 35 A E E -B 65 0B 62 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.897 22.1-176.2-109.5 137.8 65.8 35.6 25.3 32 36 A L E -B 64 0B 2 32,-2.3 32,-3.4 -2,-0.4 2,-0.4 -0.997 24.8-130.2-131.5 131.9 64.9 39.2 25.9 33 37 A V E -BC 63 84B 0 51,-2.6 51,-3.1 -2,-0.4 2,-0.3 -0.680 36.2-169.6 -78.1 129.3 63.6 40.8 29.1 34 38 A V E -B 62 0B 0 28,-2.7 28,-2.1 -2,-0.4 2,-0.5 -0.914 22.9-148.4-127.8 150.0 60.6 43.0 28.2 35 39 A L E +B 61 0B 18 -2,-0.3 46,-3.4 26,-0.2 26,-0.2 -0.973 30.0 151.3-115.2 120.0 58.4 45.5 29.9 36 40 A Y > - 0 0 0 24,-2.7 3,-2.5 -2,-0.5 25,-0.2 0.437 24.5-171.8-125.6 -5.2 54.7 45.6 28.8 37 41 A G T 3 S- 0 0 26 23,-1.6 3,-0.4 1,-0.3 -1,-0.2 -0.263 73.7 -0.2 56.6-118.0 53.0 46.9 32.0 38 42 A D T 3 S+ 0 0 89 1,-0.2 3,-0.4 -2,-0.1 -1,-0.3 0.552 121.6 77.3 -75.8 -12.9 49.2 46.7 31.6 39 43 A N <> + 0 0 34 -3,-2.5 4,-2.2 40,-0.3 -1,-0.2 -0.144 47.7 120.1-100.9 37.9 49.4 45.3 28.1 40 44 A F H > S+ 0 0 67 -3,-0.4 4,-3.6 2,-0.2 5,-0.3 0.913 78.2 51.4 -65.0 -43.2 50.3 41.7 28.7 41 45 A L H > S+ 0 0 125 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.926 115.1 41.7 -59.6 -47.1 47.1 40.4 27.0 42 46 A R H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 36,-0.4 0.849 117.1 49.7 -68.7 -35.1 47.8 42.6 23.9 43 47 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 35,-0.2 0.951 110.0 48.9 -68.1 -50.2 51.5 41.7 24.0 44 48 A K H X S+ 0 0 84 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.895 111.4 50.3 -57.3 -44.5 50.9 37.9 24.3 45 49 A N H X S+ 0 0 80 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.893 111.7 47.3 -61.9 -41.2 48.5 38.0 21.4 46 50 A S H X S+ 0 0 11 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.814 108.9 55.9 -70.1 -30.6 50.9 39.9 19.2 47 51 A V H X>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 4,-0.5 0.897 104.9 52.0 -66.4 -40.9 53.6 37.5 20.2 48 52 A D H <5S+ 0 0 78 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.836 105.2 58.0 -62.7 -33.5 51.5 34.5 19.0 49 53 A V H <5S+ 0 0 105 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.915 107.7 43.5 -64.8 -45.1 51.1 36.3 15.7 50 54 A I H <5S- 0 0 5 -4,-1.5 -1,-0.2 23,-0.1 -2,-0.2 0.486 117.7-112.2 -82.1 -2.5 54.8 36.6 14.9 51 55 A G T <5S+ 0 0 56 -4,-0.5 -3,-0.2 -3,-0.5 16,-0.2 0.738 75.9 122.0 81.0 24.6 55.3 33.0 16.1 52 56 A A < - 0 0 8 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.334 53.5-122.2-103.1-171.3 57.3 33.7 19.2 53 57 A K E -D 65 0B 87 12,-2.7 12,-3.5 -2,-0.1 2,-0.4 -0.960 13.5-159.6-134.4 153.5 56.8 33.0 22.9 54 58 A V E -D 64 0B 31 -2,-0.3 2,-0.7 10,-0.2 10,-0.2 -0.996 7.2-154.8-136.2 131.4 56.5 35.0 26.1 55 59 A E E -D 63 0B 67 8,-2.4 8,-2.0 -2,-0.4 2,-0.4 -0.916 22.7-137.6-102.9 111.8 57.0 33.9 29.7 56 60 A D E -D 62 0B 62 -2,-0.7 6,-0.3 6,-0.2 3,-0.1 -0.556 21.8-178.5 -72.8 122.0 55.1 36.2 32.0 57 61 A L E - 0 0 1 4,-2.2 5,-0.2 -2,-0.4 -1,-0.2 0.495 46.5-118.8 -94.0 -7.8 57.1 37.2 35.1 58 62 A G E > S+D 61 0B 13 3,-0.9 3,-1.6 1,-0.0 -1,-0.2 -0.016 86.6 65.0 89.9 162.0 54.2 39.2 36.5 59 63 A Y T 3 S- 0 0 96 1,-0.3 -22,-0.1 -3,-0.1 3,-0.1 0.728 131.2 -53.4 60.6 26.5 53.8 42.9 37.3 60 64 A G T 3 S+ 0 0 8 1,-0.3 -24,-2.7 -23,-0.2 -23,-1.6 0.551 114.1 112.4 88.5 9.1 54.2 44.0 33.7 61 65 A F E < +BD 35 58B 9 -3,-1.6 -4,-2.2 -26,-0.2 -3,-0.9 -0.876 34.9 152.1-114.6 147.9 57.5 42.1 33.2 62 66 A G E -BD 34 56B 0 -28,-2.1 -28,-2.7 -2,-0.3 2,-0.5 -0.939 40.7-109.3-157.2 178.6 58.2 39.1 31.0 63 67 A I E -BD 33 55B 0 -8,-2.0 -8,-2.4 -2,-0.3 2,-0.5 -0.969 25.7-146.4-123.2 115.5 60.8 37.2 28.9 64 68 A L E -BD 32 54B 0 -32,-3.4 -32,-2.3 -2,-0.5 2,-0.6 -0.694 9.8-164.3 -80.7 123.5 60.4 37.3 25.1 65 69 A I E +BD 31 53B 23 -12,-3.5 -12,-2.7 -2,-0.5 2,-0.4 -0.934 25.4 158.1-110.9 109.3 61.6 34.0 23.6 66 70 A I E -B 30 0B 0 -36,-1.9 -36,-2.6 -2,-0.6 -14,-0.1 -0.983 43.7-109.1-141.6 139.8 62.1 34.6 19.9 67 71 A K E > -B 29 0B 42 -2,-0.4 3,-2.1 -38,-0.3 -38,-0.2 -0.409 31.7-123.1 -65.9 143.3 64.0 33.1 17.0 68 72 A V G > S+ 0 0 4 -40,-1.6 3,-1.2 1,-0.3 4,-0.2 0.800 110.3 60.3 -60.7 -29.4 66.9 35.2 15.7 69 73 A N G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -46,-0.1 3,-0.2 0.527 103.5 51.9 -77.5 -3.8 65.5 35.3 12.2 70 74 A D G X S+ 0 0 40 -3,-2.1 3,-2.1 1,-0.1 -1,-0.2 0.188 71.8 109.8-114.2 13.8 62.3 37.0 13.5 71 75 A L G X S+ 0 0 6 -3,-1.2 3,-1.1 1,-0.3 -60,-0.2 0.754 73.3 61.6 -62.2 -25.4 64.1 39.8 15.4 72 76 A N G 3 S+ 0 0 118 1,-0.2 3,-0.3 -4,-0.2 -1,-0.3 0.486 93.0 66.6 -79.1 -2.6 62.8 42.3 12.8 73 77 A R G X S+ 0 0 72 -3,-2.1 3,-1.4 1,-0.2 4,-0.3 0.378 71.4 91.2 -98.3 1.9 59.3 41.4 13.8 74 78 A I G X S+ 0 0 0 -3,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.836 78.3 64.7 -61.9 -31.3 59.6 42.9 17.3 75 79 A I G 3 S+ 0 0 52 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.663 94.4 60.5 -67.0 -15.1 58.3 46.1 15.8 76 80 A E G < S+ 0 0 88 -3,-1.4 -1,-0.3 -74,-0.1 -2,-0.2 0.573 82.6 106.4 -87.7 -11.2 55.0 44.3 15.2 77 81 A L < - 0 0 14 -3,-1.6 2,-0.4 -4,-0.3 3,-0.2 -0.427 63.3-139.4 -72.6 143.5 54.6 43.6 18.9 78 82 A E S S+ 0 0 124 -36,-0.4 -32,-0.2 -35,-0.2 -31,-0.1 -0.831 74.9 15.5-108.6 142.1 51.9 45.6 20.8 79 83 A G S S+ 0 0 29 -2,-0.4 2,-0.4 1,-0.3 -40,-0.3 0.493 79.8 148.5 81.5 3.8 52.1 47.1 24.2 80 84 A L 0 0 11 -3,-0.2 -1,-0.3 1,-0.2 -44,-0.2 -0.597 360.0 360.0 -75.8 124.9 55.9 46.7 24.4 81 85 A Q 0 0 37 -46,-3.4 -45,-0.2 -2,-0.4 -1,-0.2 0.776 360.0 360.0-104.6 360.0 57.5 49.5 26.5 82 ! 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 83 87 A I 0 0 18 0, 0.0 2,-0.4 0, 0.0 -49,-0.2 0.000 360.0 360.0 360.0 138.0 63.6 45.8 26.0 84 88 A E B -C 33 0B 22 -51,-3.1 -51,-2.6 177,-0.0 3,-0.1 -0.990 360.0-132.4-134.5 127.9 66.6 44.6 28.0 85 89 A L - 0 0 59 -2,-0.4 -53,-0.1 -53,-0.2 138,-0.1 -0.489 44.4 -92.8 -69.4 143.6 69.3 42.2 27.1 86 90 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.375 45.0-136.9 -57.5 133.9 70.0 39.5 29.8 87 91 A K - 0 0 17 -3,-0.1 136,-1.9 -2,-0.0 2,-0.7 -0.693 8.0-123.7 -96.5 149.1 72.7 40.8 32.1 88 92 A I E -E 222 0C 89 -2,-0.3 2,-0.3 134,-0.2 166,-0.3 -0.828 30.1-173.4 -94.3 116.6 75.6 38.6 33.4 89 93 A L E -E 221 0C 0 132,-3.4 132,-2.5 -2,-0.7 2,-0.4 -0.752 7.6-150.9-104.2 156.2 75.9 38.5 37.2 90 94 A Y E -EF 220 251C 111 161,-2.7 161,-2.1 -2,-0.3 130,-0.2 -0.959 21.6-108.2-126.9 145.6 78.7 36.9 39.2 91 95 A T E F 0 250C 4 128,-1.7 159,-0.2 -2,-0.4 32,-0.0 -0.404 360.0 360.0 -64.2 147.2 78.7 35.3 42.7 92 96 A S 0 0 17 157,-1.5 -1,-0.1 191,-0.1 392,-0.1 0.121 360.0 360.0-112.0 360.0 80.6 37.4 45.2 93 !* 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 94 97 B A > 0 0 22 0, 0.0 4,-1.7 0, 0.0 104,-0.2 0.000 360.0 360.0 360.0-153.3 80.5 30.5 62.9 95 98 B Y H > + 0 0 69 102,-1.2 4,-3.1 1,-0.2 5,-0.2 0.914 360.0 55.2 -65.6 -45.0 79.9 31.7 66.5 96 99 B D H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 110.6 44.7 -58.7 -42.5 82.5 34.5 66.5 97 100 B S H > S+ 0 0 7 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.877 115.0 48.9 -69.8 -37.5 81.0 36.1 63.4 98 101 B N H <>S+ 0 0 4 -4,-1.7 5,-2.0 1,-0.2 3,-0.3 0.868 108.7 53.9 -66.7 -37.3 77.5 35.7 64.8 99 102 B R H ><5S+ 0 0 105 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.881 102.6 57.5 -62.9 -39.7 78.7 37.1 68.1 100 103 B A H 3<5S+ 0 0 25 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.4 49.4 -61.6 -30.2 80.0 40.2 66.3 101 104 B S T 3<5S- 0 0 0 -4,-0.9 446,-2.4 -3,-0.3 447,-0.3 0.150 117.4-114.7 -96.2 18.5 76.5 40.8 65.0 102 105 B a T < 5S+ 0 0 18 -3,-1.9 446,-1.1 444,-0.2 4,-0.2 0.879 73.7 133.4 51.4 46.9 75.0 40.4 68.5 103 106 B I >>< + 0 0 0 -5,-2.0 4,-1.8 -8,-0.2 3,-1.3 0.879 52.8 61.9 -92.6 -46.4 73.1 37.3 67.6 104 107 B P H 3> S+ 0 0 9 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.812 99.7 57.7 -56.0 -32.3 73.7 34.7 70.4 105 108 B S H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.825 107.0 49.0 -65.7 -31.0 72.1 37.0 73.0 106 109 B V H <>>S+ 0 0 0 -3,-1.3 4,-2.0 -4,-0.2 6,-0.8 0.862 106.9 55.4 -75.1 -38.0 68.9 37.0 70.9 107 110 B W H X5S+ 0 0 8 -4,-1.8 4,-0.8 4,-0.2 -2,-0.2 0.912 115.9 38.9 -53.7 -45.2 69.0 33.2 70.7 108 111 B N H <5S+ 0 0 108 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.902 120.8 39.8 -77.5 -44.0 69.1 33.0 74.5 109 112 B N H <5S+ 0 0 107 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.2 0.816 131.6 20.9 -80.3 -32.3 66.7 35.8 75.5 110 113 B Y H <5S- 0 0 58 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.488 89.8-132.6-116.7 -7.5 64.0 35.3 72.9 111 114 B N << + 0 0 109 -4,-0.8 2,-0.4 -5,-0.5 -4,-0.2 0.869 43.9 167.8 52.8 41.7 64.5 31.7 71.7 112 115 B L + 0 0 0 -6,-0.8 -1,-0.2 1,-0.1 387,-0.1 -0.722 15.3 156.7 -87.7 134.0 64.3 32.8 68.1 113 116 B T - 0 0 11 -2,-0.4 91,-2.2 385,-0.1 92,-0.5 0.449 60.4-107.3-132.8 -12.9 65.4 30.2 65.5 114 117 B G > + 0 0 0 1,-0.3 3,-2.0 385,-0.2 92,-0.4 0.537 59.2 165.0 89.0 8.6 63.7 31.2 62.3 115 118 B E T 3 + 0 0 110 1,-0.3 -1,-0.3 90,-0.2 90,-0.2 -0.383 65.4 23.9 -60.6 129.7 61.3 28.2 62.6 116 119 B G T 3 S+ 0 0 20 88,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.362 100.5 111.1 94.8 -3.6 58.3 28.7 60.3 117 120 B I < - 0 0 0 -3,-2.0 89,-2.9 125,-0.2 2,-0.7 -0.866 61.3-139.6-107.9 136.6 60.2 31.0 58.0 118 121 B L E -hi 206 244D 0 125,-2.6 127,-2.5 -2,-0.4 2,-0.7 -0.848 12.9-164.3 -94.7 116.1 61.3 30.1 54.4 119 122 B V E -hi 207 245D 0 87,-3.1 89,-2.3 -2,-0.7 2,-0.3 -0.897 13.3-165.3 -99.7 111.7 64.8 31.4 53.6 120 123 B G E -hi 208 246D 0 125,-2.8 127,-2.9 -2,-0.7 2,-0.4 -0.770 3.3-158.9-102.3 143.2 65.2 31.3 49.8 121 124 B F E -hi 209 247D 0 87,-2.5 89,-2.8 -2,-0.3 2,-0.6 -0.945 16.3-158.8-122.6 139.6 68.5 31.5 47.9 122 125 B L E +hi 210 248D 0 125,-2.0 127,-0.6 -2,-0.4 2,-0.2 -0.942 58.6 101.2-109.1 103.5 69.3 32.5 44.3 123 126 B D E S-h 211 0D 0 87,-2.2 89,-2.5 -2,-0.6 90,-0.7 -0.652 84.6 -53.9-158.2-153.3 72.7 30.9 43.9 124 127 B T S S- 0 0 3 1,-0.3 54,-0.3 87,-0.2 53,-0.2 0.365 87.5 -89.6 -92.7 3.8 74.8 28.0 42.6 125 128 B G - 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