==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 02-MAR-94 1SCN . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR A.C.U.STEINMETZ,H.-U.DEMUTH,D.RINGE . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.1 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 1 0 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 1 1 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 1 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 . 1 0 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 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 E A 0 0 118 0, 0.0 2,-0.5 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 -28.0 90.4 58.5 82.1 2 2 E Q - 0 0 46 76,-0.2 2,-0.3 74,-0.1 78,-0.2 -0.733 360.0-147.7 -92.6 124.6 91.5 60.4 78.9 3 3 E T - 0 0 69 76,-3.3 78,-0.3 -2,-0.5 75,-0.1 -0.666 2.6-146.4 -87.0 137.7 91.0 58.6 75.6 4 4 E V - 0 0 77 -2,-0.3 76,-0.1 76,-0.2 78,-0.1 -0.830 18.0-137.8-100.6 102.9 93.4 59.2 72.8 5 5 E P > - 0 0 12 0, 0.0 3,-1.2 0, 0.0 199,-0.1 -0.210 20.5-119.7 -53.5 142.3 91.5 58.9 69.5 6 6 E Y T 3> S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.797 107.6 70.0 -62.2 -24.4 93.6 57.0 66.9 7 7 E G H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 6,-0.3 0.889 88.4 66.5 -58.3 -34.5 93.6 59.9 64.5 8 8 E I H <4>S+ 0 0 2 -3,-1.2 5,-2.5 1,-0.2 6,-0.9 0.932 112.4 27.4 -55.0 -52.7 96.0 61.9 66.9 9 9 E P H >45S+ 0 0 55 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.757 110.8 70.0 -84.7 -22.1 99.0 59.7 66.6 10 10 E L H 3<5S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.911 110.1 35.4 -57.7 -35.8 98.1 58.5 63.2 11 11 E I T 3<5S- 0 0 0 -4,-2.0 258,-2.5 -5,-0.2 259,-0.5 0.381 116.3-117.2 -98.2 8.3 98.9 62.1 62.0 12 12 E K T X>5 + 0 0 74 -3,-0.9 4,-0.9 256,-0.2 3,-0.7 0.738 69.3 140.8 64.5 26.8 101.7 62.4 64.5 13 13 E A H 3>< + 0 0 0 -5,-2.5 4,-2.6 -6,-0.3 3,-0.3 0.817 66.8 62.1 -69.7 -28.8 100.1 65.2 66.4 14 14 E D H 3> S+ 0 0 57 -6,-0.9 4,-1.9 1,-0.2 -1,-0.3 0.834 97.5 54.4 -64.3 -33.5 101.2 63.7 69.6 15 15 E K H <4 S+ 0 0 113 -3,-0.7 4,-0.5 2,-0.2 -1,-0.2 0.773 111.4 46.7 -69.0 -32.4 104.8 64.0 68.7 16 16 E V H >X>S+ 0 0 0 -4,-0.9 5,-1.6 -3,-0.3 3,-0.8 0.854 109.4 52.1 -73.3 -44.3 104.3 67.7 68.1 17 17 E Q H ><5S+ 0 0 15 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.931 105.5 56.4 -57.0 -43.4 102.4 68.2 71.2 18 18 E A T 3<5S+ 0 0 87 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.742 97.0 63.4 -62.0 -24.3 105.3 66.5 73.1 19 19 E Q T <45S- 0 0 85 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.589 126.6-101.9 -68.0 -19.2 107.6 69.1 71.6 20 20 E G T <<5S+ 0 0 55 -3,-2.1 2,-0.6 -4,-0.5 -3,-0.2 0.426 86.9 121.2 109.7 1.8 105.6 71.7 73.6 21 21 E F < + 0 0 64 -5,-1.6 -1,-0.3 1,-0.1 -2,-0.2 -0.901 17.8 149.8-104.0 119.6 103.5 73.1 70.7 22 22 E K S S- 0 0 53 -2,-0.6 64,-2.2 62,-0.1 65,-0.4 0.301 72.7 -88.4-132.6 6.0 99.7 72.7 71.2 23 23 E G > + 0 0 0 209,-0.2 3,-2.5 1,-0.2 65,-0.4 0.506 61.4 175.6 94.3 10.3 98.2 75.6 69.4 24 24 E A T 3 S+ 0 0 62 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.267 70.5 7.6 -51.8 129.5 98.4 78.1 72.3 25 25 E N T 3 S+ 0 0 145 61,-0.8 2,-0.4 1,-0.3 -1,-0.3 0.579 96.1 126.6 78.9 4.5 97.3 81.5 71.1 26 26 E V < - 0 0 8 -3,-2.5 62,-2.5 60,-0.2 2,-0.6 -0.843 54.6-137.1 -97.5 133.9 96.1 80.3 67.7 27 27 E K E -a 88 0A 77 -2,-0.4 92,-1.9 90,-0.2 93,-1.6 -0.848 23.2-179.1 -95.5 123.6 92.6 81.3 66.8 28 28 E V E -ab 89 120A 0 60,-2.4 62,-2.8 -2,-0.6 2,-0.5 -0.953 12.2-157.3-121.3 130.9 90.3 78.7 65.1 29 29 E A E -ab 90 121A 0 91,-2.1 93,-2.4 -2,-0.5 2,-0.8 -0.860 6.0-152.8-105.4 129.4 86.8 79.2 64.0 30 30 E V E -ab 91 122A 2 60,-2.8 62,-2.8 -2,-0.5 2,-0.9 -0.913 6.5-159.0-101.8 104.9 84.6 76.1 63.5 31 31 E L E +ab 92 123A 0 91,-2.3 93,-0.5 -2,-0.8 62,-0.2 -0.818 52.9 93.5 -81.3 102.2 81.9 77.0 60.9 32 32 E D E S-a 93 0A 0 60,-2.2 63,-2.2 -2,-0.9 62,-1.8 -0.642 90.8 -41.1-163.5-146.2 79.3 74.4 61.8 33 33 E T S S- 0 0 2 1,-0.4 27,-0.5 -2,-0.2 28,-0.3 0.292 91.6 -95.5 -88.4 10.4 76.1 73.6 63.8 34 34 E G - 0 0 1 58,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.582 43.1 -96.8 104.0-167.0 77.4 75.5 66.9 35 35 E I - 0 0 0 21,-1.0 2,-1.8 23,-0.4 3,-0.1 -0.983 22.4-114.3-154.2 138.9 79.2 73.8 69.8 36 36 E Q > - 0 0 15 -2,-0.3 3,-2.5 1,-0.2 22,-0.2 -0.661 36.6-170.8 -76.3 84.4 77.9 72.6 73.2 37 37 E A T 3 S+ 0 0 30 -2,-1.8 7,-0.4 20,-1.0 -1,-0.2 0.739 76.3 61.2 -53.1 -26.9 79.9 75.3 75.1 38 38 E S T 3 S+ 0 0 91 19,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.489 72.7 122.8 -82.2 0.2 79.2 73.7 78.4 39 39 E H X - 0 0 3 -3,-2.5 3,-1.6 1,-0.1 168,-0.0 -0.303 64.6-135.1 -63.2 140.2 80.9 70.5 77.6 40 40 E P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.687 101.0 53.4 -78.0 -11.9 83.6 69.8 80.1 41 41 E D T 3 S+ 0 0 0 32,-0.0 33,-2.7 35,-0.0 2,-0.4 0.242 102.9 66.9-101.6 8.0 86.1 68.8 77.6 42 42 E L < - 0 0 9 -3,-1.6 2,-0.5 31,-0.2 31,-0.1 -0.986 57.3-161.8-126.2 141.3 85.8 72.0 75.4 43 43 E N - 0 0 94 -2,-0.4 46,-0.6 29,-0.3 2,-0.5 -0.913 13.1-168.2-121.4 101.6 86.6 75.7 76.1 44 44 E V E -c 89 0A 25 -2,-0.5 46,-0.2 -7,-0.4 3,-0.1 -0.801 5.6-171.9 -92.5 117.3 84.8 78.0 73.6 45 45 E V E - 0 0 73 44,-2.9 2,-0.3 -2,-0.5 45,-0.2 0.707 57.7 -45.5 -83.0 -24.8 86.1 81.5 73.8 46 46 E G E +c 90 0A 13 43,-0.9 45,-2.2 10,-0.1 2,-0.3 -0.966 59.0 157.3-175.2-162.1 83.5 83.3 71.6 47 47 E G E -c 91 0A 20 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.937 29.1-110.6 151.6-171.1 81.7 83.1 68.2 48 48 E A E -c 92 0A 13 43,-1.1 45,-2.9 -2,-0.3 2,-0.5 -0.949 15.6-134.5-147.6 163.0 78.6 84.2 66.3 49 49 E S E +c 93 0A 38 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.961 18.5 175.3-130.8 126.5 75.4 82.7 65.1 50 50 E F + 0 0 79 43,-3.0 2,-0.5 -2,-0.5 44,-0.1 0.160 58.7 92.5-110.0 16.8 74.0 83.3 61.7 51 51 E V S > S- 0 0 28 3,-0.4 3,-1.4 42,-0.2 44,-0.1 -0.952 83.9-109.0-107.7 128.3 71.1 80.9 62.0 52 52 E A T 3 S+ 0 0 98 -2,-0.5 -2,-0.1 1,-0.2 3,-0.1 -0.289 94.2 8.7 -57.3 132.8 67.8 82.3 63.2 53 53 E G T 3 S+ 0 0 91 1,-0.1 2,-0.4 -2,-0.0 -1,-0.2 0.289 106.7 94.1 87.7 -3.6 66.6 81.4 66.7 54 54 E E < - 0 0 48 -3,-1.4 -3,-0.4 39,-0.1 -1,-0.1 -0.976 64.2-140.3-125.6 127.6 69.8 79.7 67.9 55 55 E A > - 0 0 56 -2,-0.4 3,-0.8 1,-0.1 -7,-0.1 -0.324 29.0-112.3 -78.0 163.8 72.7 81.2 69.9 56 57 E Y T 3 S+ 0 0 67 1,-0.2 -21,-1.0 -22,-0.1 -8,-0.1 0.789 106.4 63.5 -76.4 -16.3 76.1 80.2 68.9 57 58 E N T 3 S+ 0 0 66 -23,-0.2 -20,-1.0 -21,-0.1 -19,-0.3 0.004 89.7 74.7-105.1 38.3 77.0 78.3 72.0 58 59 E T < - 0 0 70 -3,-0.8 2,-0.4 -22,-0.2 -23,-0.4 -0.910 58.5-161.6-134.3 147.9 74.4 75.5 71.8 59 60 E D + 0 0 11 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.843 12.5 175.5-136.0 100.8 74.5 72.5 69.4 60 61 E G S S+ 0 0 65 -27,-0.5 -1,-0.1 -2,-0.4 -26,-0.1 0.649 83.3 42.9 -84.2 -7.7 71.3 70.8 68.9 61 62 E N S S- 0 0 48 -28,-0.3 -1,-0.1 35,-0.1 -2,-0.1 0.837 92.1-137.9 -98.9 -43.5 72.7 68.5 66.3 62 63 E G S > S+ 0 0 0 -29,-0.1 4,-2.2 146,-0.1 5,-0.2 -0.035 76.0 103.4 108.5 -31.6 76.0 67.5 67.8 63 64 E H H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.878 81.7 48.5 -49.0 -46.8 78.0 67.7 64.6 64 65 E G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 110.6 51.2 -63.8 -41.0 79.6 71.0 65.5 65 66 E T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 142,-0.2 0.909 110.2 48.2 -63.0 -40.0 80.5 69.8 68.8 66 67 E H H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 141,-0.3 0.934 111.8 48.8 -66.4 -48.0 82.2 66.6 67.5 67 68 E V H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.922 111.2 51.1 -59.4 -41.8 84.2 68.5 64.9 68 69 E A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.904 104.1 57.5 -62.9 -38.6 85.3 71.0 67.5 69 70 E G H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.866 102.8 54.6 -63.4 -34.7 86.4 68.2 69.8 70 71 E T H < S+ 0 0 6 -4,-1.7 13,-2.3 2,-0.2 -1,-0.2 0.904 112.6 43.1 -66.1 -35.2 88.7 66.8 67.2 71 72 E V H < S- 0 0 0 -4,-1.5 13,-2.9 11,-0.2 -2,-0.2 0.932 138.4 -3.0 -72.0 -41.7 90.4 70.2 66.8 72 73 E A H < + 0 0 5 -4,-2.6 -29,-0.3 10,-0.2 -2,-0.2 0.160 63.5 158.8-147.6 30.4 90.6 71.0 70.4 73 74 E A < - 0 0 0 -4,-2.8 9,-2.2 8,-0.1 -31,-0.2 -0.285 60.0 -93.8 -55.8 140.9 89.3 68.8 73.1 74 75 E L - 0 0 50 -33,-2.7 2,-1.0 7,-0.2 4,-0.2 -0.174 27.2-123.5 -58.6 142.6 91.2 69.8 76.3 75 76 E D S S+ 0 0 74 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.754 70.5 106.1 -84.9 105.0 94.3 67.9 77.2 76 77 E N S S- 0 0 59 -2,-1.0 -74,-0.1 4,-0.3 -35,-0.0 -0.670 84.5 -66.0-153.6-142.6 93.3 66.8 80.7 77 78 E T S S+ 0 0 116 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.245 102.7 52.4-116.8 23.0 92.2 63.7 82.6 78 79 E T S S+ 0 0 57 2,-0.2 -2,-0.3 -4,-0.2 -76,-0.2 -0.909 94.0 0.2-147.3 166.7 88.9 63.1 81.0 79 80 E G S S- 0 0 9 -78,-0.3 -76,-3.3 -2,-0.3 2,-0.2 -0.304 98.6 -35.2 62.0-129.6 87.1 62.6 77.7 80 81 E V - 0 0 0 -78,-0.2 2,-0.4 -76,-0.1 -4,-0.3 -0.471 52.8-115.0-117.8-168.4 89.3 62.8 74.5 81 82 E L - 0 0 16 -78,-0.3 -7,-0.2 -2,-0.2 -8,-0.1 -0.999 24.1-140.9-136.8 125.2 92.3 64.8 73.3 82 83 E G - 0 0 0 -9,-2.2 -11,-0.2 -2,-0.4 -10,-0.2 -0.384 23.7-114.9 -80.7 170.2 92.2 67.3 70.5 83 84 E V S S+ 0 0 0 -13,-2.3 -11,-0.2 1,-0.3 -12,-0.2 0.859 115.4 21.7 -70.4 -36.2 94.9 67.7 67.9 84 85 E A S > S+ 0 0 0 -13,-2.9 3,-1.8 -14,-0.2 -1,-0.3 -0.618 75.5 176.5-134.9 69.4 95.6 71.2 69.2 85 86 E P T 3 S+ 0 0 9 0, 0.0 -10,-0.2 0, 0.0 -62,-0.2 0.612 73.3 51.8 -54.5 -17.3 94.3 71.3 72.7 86 87 E S T 3 S+ 0 0 57 -64,-2.2 -61,-0.8 -12,-0.1 -63,-0.2 0.321 78.8 123.3-103.9 4.8 95.4 74.8 73.6 87 88 E V S < S- 0 0 10 -3,-1.8 2,-0.7 -65,-0.4 -60,-0.2 -0.317 70.3-112.2 -64.9 154.1 93.9 76.7 70.7 88 89 E S E -a 27 0A 29 -62,-2.5 -60,-2.4 -65,-0.4 2,-0.5 -0.807 42.5-150.1 -86.4 116.9 91.5 79.6 71.3 89 90 E L E -ac 28 44A 1 -2,-0.7 -44,-2.9 -46,-0.6 -43,-0.9 -0.806 17.6-171.6-105.8 129.8 88.3 78.2 69.9 90 91 E Y E -ac 29 46A 36 -62,-2.8 -60,-2.8 -2,-0.5 2,-0.6 -0.937 13.8-146.4-118.0 139.1 85.4 80.0 68.3 91 92 E A E -ac 30 47A 0 -45,-2.2 -43,-1.1 -2,-0.4 2,-0.6 -0.886 14.9-175.3-101.3 119.2 82.0 78.6 67.4 92 93 E V E -ac 31 48A 0 -62,-2.8 -60,-2.2 -2,-0.6 2,-0.8 -0.926 16.9-145.2-116.5 112.4 80.5 80.1 64.4 93 94 E K E +ac 32 49A 0 -45,-2.9 -43,-3.0 -2,-0.6 -42,-0.2 -0.676 42.0 140.8 -86.7 111.4 77.0 78.8 63.7 94 95 E V + 0 0 3 -62,-1.8 8,-0.4 -2,-0.8 2,-0.4 0.409 57.1 67.0-119.1 -8.3 76.2 78.5 60.0 95 96 E L S S- 0 0 8 -63,-2.2 6,-0.2 6,-0.2 -44,-0.1 -0.904 74.2-128.9-118.9 144.3 74.2 75.3 59.9 96 97 E N > - 0 0 56 4,-3.3 3,-2.2 -2,-0.4 -2,-0.1 -0.067 41.6 -81.6 -81.0-172.0 70.9 74.6 61.4 97 98 E S T 3 S+ 0 0 58 1,-0.3 -1,-0.1 2,-0.2 -64,-0.1 0.632 129.4 55.0 -61.0 -28.2 69.8 71.7 63.7 98 99 E S T 3 S- 0 0 85 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.403 122.1-105.7 -93.0 6.4 69.4 69.4 60.8 99 100 E G S < S+ 0 0 8 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.630 81.5 120.6 81.7 15.3 72.9 70.1 59.6 100 101 E S - 0 0 68 25,-0.1 -4,-3.3 -67,-0.0 2,-0.3 -0.838 36.1-177.4-112.7 154.3 72.0 72.3 56.7 101 102 E G - 0 0 40 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.926 22.2-118.6-144.1 167.2 72.9 75.8 55.9 102 103 E S > - 0 0 64 -8,-0.4 4,-2.5 -2,-0.3 5,-0.2 -0.697 28.4-116.5-100.5 161.1 72.2 78.6 53.4 103 104 E Y H > S+ 0 0 105 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.887 115.4 48.9 -61.3 -48.8 74.8 80.2 51.2 104 105 E S H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 110.2 52.8 -67.0 -29.3 74.3 83.6 52.7 105 106 E G H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.961 111.9 44.7 -66.6 -42.0 74.6 82.1 56.1 106 107 E I H X S+ 0 0 13 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.968 112.3 51.9 -63.9 -44.1 77.9 80.4 55.3 107 108 E V H X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.3 5,-0.2 0.932 107.0 53.3 -60.8 -44.1 79.3 83.4 53.6 108 109 E S H X S+ 0 0 46 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.3 0.927 108.7 50.1 -57.4 -43.0 78.4 85.5 56.6 109 110 E G H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.938 110.3 49.1 -62.4 -47.4 80.3 83.1 58.9 110 111 E I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.972 112.9 48.0 -56.2 -49.8 83.4 83.2 56.7 111 112 E E H X S+ 0 0 107 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.904 109.9 51.9 -57.3 -41.5 83.3 87.0 56.6 112 113 E W H X S+ 0 0 54 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.911 109.9 50.8 -57.7 -45.6 82.9 87.2 60.4 113 114 E A H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 -1,-0.2 0.929 110.6 46.5 -60.2 -44.4 85.9 85.0 60.8 114 115 E T H ><5S+ 0 0 18 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.931 114.8 47.7 -62.3 -47.2 88.1 87.0 58.5 115 116 E T H 3<5S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.789 108.5 53.8 -64.1 -36.9 87.1 90.3 60.2 116 117 E N T 3<5S- 0 0 71 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.175 117.9-106.5 -89.2 18.5 87.6 89.0 63.7 117 118 E G T < 5 + 0 0 39 -3,-1.1 -90,-0.2 1,-0.2 -3,-0.2 0.829 52.0 172.9 70.8 30.5 91.1 87.9 63.1 118 119 E M < - 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