==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 26-MAY-00 1C8M . COMPND 2 MOLECULE: HUMAN RHINOVIRUS 16 COAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS 16; . AUTHOR S.CHAKRAVARTY,C.M.BATOR,D.C.PEVEAR,G.D.DIANA,M.G.ROSSMANN . 804 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 24.8 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 83 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 4 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 8 1 3 5 5 1 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 1 1 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 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 1 N >> 0 0 75 0, 0.0 4,-1.7 0, 0.0 3,-1.4 0.000 360.0 360.0 360.0 100.1 38.2 14.3 87.8 2 2 1 P H 3> + 0 0 80 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.810 360.0 65.8 -56.5 -33.0 39.1 12.8 91.0 3 3 1 V H 3> S+ 0 0 7 1,-0.3 4,-2.5 2,-0.3 5,-0.1 0.863 100.3 51.3 -54.6 -40.5 42.6 13.6 90.0 4 4 1 E H <> S+ 0 0 47 -3,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.880 107.2 53.8 -61.8 -37.0 41.2 17.2 90.4 5 5 1 R H X S+ 0 0 43 -4,-1.7 4,-1.9 1,-0.2 -2,-0.3 0.945 107.8 50.2 -62.2 -45.0 40.0 15.9 93.8 6 6 1 Y H X S+ 0 0 76 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.900 106.8 53.3 -61.1 -43.7 43.6 14.8 94.5 7 7 1 V H X S+ 0 0 55 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.912 108.1 50.8 -59.8 -40.9 45.1 18.2 93.6 8 8 1 D H X>S+ 0 0 63 -4,-2.0 5,-2.0 1,-0.2 4,-1.3 0.891 108.8 52.5 -63.7 -37.8 42.7 19.9 96.0 9 9 1 E H <5S+ 0 0 55 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 108.8 50.0 -62.7 -43.7 43.8 17.4 98.8 10 10 1 V H <5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 119.4 36.2 -63.7 -38.5 47.5 18.3 98.1 11 11 1 L H <5S- 0 0 100 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.518 107.2-124.7 -92.4 -6.8 46.8 22.1 98.3 12 12 1 N T <5S+ 0 0 95 -4,-1.3 51,-0.3 -5,-0.2 -3,-0.2 0.952 70.6 128.0 59.7 54.6 44.2 21.7 101.1 13 13 1 E < + 0 0 89 -5,-2.0 3,-0.2 1,-0.1 -4,-0.1 -0.233 23.5 116.6-128.5 39.5 41.5 23.6 99.1 14 14 1 V S S+ 0 0 38 -6,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.914 79.0 38.6 -76.4 -42.1 38.7 21.0 99.4 15 15 1 L S S- 0 0 35 -7,-0.1 47,-2.7 -3,-0.1 48,-0.4 -0.908 79.1-167.0-114.3 105.1 36.3 23.3 101.4 16 16 1 V B -A 61 0A 100 -2,-0.6 45,-0.2 45,-0.2 44,-0.1 -0.614 17.2-128.9 -93.2 149.9 36.4 26.9 100.3 17 17 1 V - 0 0 5 43,-1.7 740,-0.1 -2,-0.2 739,-0.1 -0.697 36.8-101.5 -92.7 148.1 34.9 29.8 102.2 18 18 1 P - 0 0 67 0, 0.0 42,-0.1 0, 0.0 2,-0.1 -0.257 33.9-106.5 -69.6 160.7 32.5 32.1 100.2 19 19 1 N - 0 0 55 39,-0.1 2,-0.5 38,-0.1 38,-0.2 -0.374 23.5-118.7 -80.6 161.6 33.4 35.5 98.8 20 20 1 I B -B 56 0B 14 36,-1.9 36,-2.4 -2,-0.1 2,-0.2 -0.875 33.8-151.2-100.9 128.1 32.3 38.9 100.0 21 21 1 N - 0 0 85 -2,-0.5 2,-0.2 34,-0.2 32,-0.2 -0.638 24.1 -92.6 -97.6 165.2 30.2 40.7 97.4 22 22 1 Q - 0 0 127 -2,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.511 45.2-171.4 -76.4 140.6 29.9 44.4 96.8 23 23 1 S - 0 0 15 30,-1.7 26,-0.1 -2,-0.2 29,-0.1 -0.787 6.3-145.3-125.6 171.6 26.9 46.0 98.6 24 24 1 H - 0 0 118 -2,-0.3 29,-0.1 24,-0.2 2,-0.0 -0.820 33.8 -74.5-135.0 170.7 25.3 49.4 98.4 25 25 1 P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.411 55.7-167.2 -63.8 144.7 23.5 52.0 100.6 26 26 1 T - 0 0 112 23,-0.1 2,-0.3 2,-0.1 -3,-0.0 -0.968 26.0-173.3-137.2 155.4 20.0 50.9 101.3 27 27 1 T + 0 0 147 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.845 39.8 123.3-144.5 96.7 16.8 52.3 102.7 28 28 1 S - 0 0 85 -2,-0.3 -2,-0.1 2,-0.2 0, 0.0 -0.921 66.4-112.5-148.6 176.5 14.1 49.7 103.1 29 29 1 N S S+ 0 0 170 -2,-0.3 2,-0.6 2,-0.0 -1,-0.0 0.061 87.7 96.1-105.2 29.9 11.7 48.2 105.6 30 30 1 A - 0 0 67 0, 0.0 -2,-0.2 0, 0.0 0, 0.0 -0.978 58.6-169.9-111.2 112.8 13.4 44.8 105.6 31 31 1 A > + 0 0 49 -2,-0.6 3,-1.3 1,-0.2 -2,-0.0 -0.799 15.3 175.7-114.6 89.4 15.7 45.0 108.6 32 32 1 P T 3 S+ 0 0 57 0, 0.0 13,-0.3 0, 0.0 -1,-0.2 0.861 79.2 63.6 -56.7 -39.1 18.1 42.0 108.6 33 33 1 V T 3 S+ 0 0 30 16,-0.2 670,-1.2 669,-0.1 2,-0.4 0.727 94.1 77.9 -61.0 -19.0 20.0 43.3 111.6 34 34 1 L E < +C 702 0C 45 -3,-1.3 2,-0.2 668,-0.2 668,-0.2 -0.741 59.8 121.3 -95.0 139.9 16.8 42.9 113.6 35 35 1 D E -C 701 0C 50 666,-2.7 666,-2.4 -2,-0.4 2,-0.3 -0.834 56.2 -92.1-165.3-159.4 15.6 39.6 114.8 36 36 1 A > - 0 0 19 -2,-0.2 3,-1.6 664,-0.2 5,-0.4 -0.883 13.9-167.5-142.6 106.8 14.7 37.5 117.9 37 37 1 A G > S+ 0 0 7 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.687 82.8 80.9 -66.0 -15.0 17.2 35.4 119.7 38 38 1 E G 3 S+ 0 0 2 1,-0.3 428,-1.8 427,-0.1 -1,-0.3 0.764 77.4 70.3 -60.5 -27.7 14.3 33.8 121.6 39 39 1 T G < S- 0 0 18 -3,-1.6 -1,-0.3 426,-0.2 -2,-0.2 0.655 106.5-123.4 -66.0 -18.4 13.7 31.6 118.5 40 40 1 G S < S+ 0 0 18 -3,-1.7 2,-0.3 1,-0.3 424,-0.2 0.524 76.1 113.7 85.9 5.1 16.9 29.6 119.3 41 41 1 H S S- 0 0 88 -5,-0.4 -1,-0.3 547,-0.1 2,-0.3 -0.832 70.1-117.3-110.2 147.2 18.2 30.4 115.8 42 42 1 T - 0 0 27 -2,-0.3 2,-0.1 -3,-0.1 546,-0.0 -0.636 36.8-105.4 -82.3 140.5 21.3 32.5 115.0 43 43 1 N - 0 0 16 -2,-0.3 -1,-0.1 1,-0.1 -8,-0.1 -0.430 27.3-144.9 -61.8 137.9 20.5 35.7 113.0 44 44 1 K + 0 0 109 -12,-0.1 -1,-0.1 -2,-0.1 -11,-0.1 0.352 47.4 138.2 -96.3 16.6 21.8 35.0 109.5 45 45 1 I - 0 0 3 -13,-0.3 -2,-0.0 1,-0.1 -12,-0.0 -0.133 34.0-160.7 -59.5 143.1 23.0 38.5 108.6 46 46 1 Q >> - 0 0 31 709,-0.1 3,-2.2 710,-0.1 4,-0.6 -0.824 36.1 -94.6-120.9 167.6 26.3 38.9 106.7 47 47 1 P H >> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 3,-1.3 0.845 119.3 63.9 -53.3 -34.9 28.6 41.9 106.4 48 48 1 E H 34 S+ 0 0 28 1,-0.3 5,-0.2 2,-0.2 -24,-0.2 0.694 99.2 56.8 -61.1 -21.4 27.1 43.0 103.0 49 49 1 D H <4 S+ 0 0 85 -3,-2.2 -1,-0.3 1,-0.1 -16,-0.2 0.687 115.6 30.6 -83.8 -24.2 23.8 43.6 104.9 50 50 1 T H << S+ 0 0 40 -3,-1.3 2,-0.2 -4,-0.6 -2,-0.2 0.797 123.4 26.9-103.7 -44.5 25.1 46.1 107.5 51 51 1 I S < S- 0 0 44 -4,-2.2 2,-0.8 639,-0.1 -27,-0.1 -0.595 88.2 -98.9-109.6 178.1 28.0 48.0 105.9 52 52 1 E - 0 0 119 -2,-0.2 2,-0.2 -29,-0.1 -4,-0.1 -0.901 50.4-163.7 -96.0 111.9 28.8 48.8 102.2 53 53 1 T - 0 0 17 -2,-0.8 -30,-1.7 -5,-0.2 2,-0.2 -0.521 14.0-133.9 -97.9 163.2 31.3 46.1 101.2 54 54 1 R - 0 0 186 -32,-0.2 2,-0.5 -2,-0.2 -1,-0.1 -0.540 40.8 -88.6 -99.5 176.2 33.7 45.8 98.3 55 55 1 Y + 0 0 113 -2,-0.2 2,-0.4 -33,-0.1 -34,-0.2 -0.778 50.9 178.1 -89.7 124.4 34.1 42.7 96.3 56 56 1 V B -B 20 0B 57 -36,-2.4 -36,-1.9 -2,-0.5 2,-1.0 -0.999 26.2-136.2-130.1 134.8 36.8 40.4 97.9 57 57 1 Q - 0 0 133 -2,-0.4 2,-0.1 -38,-0.2 -38,-0.1 -0.753 23.7-141.0 -93.5 98.8 37.7 37.0 96.6 58 58 1 S + 0 0 16 -2,-1.0 -39,-0.1 1,-0.1 -41,-0.0 -0.330 26.8 172.7 -64.4 128.9 38.1 34.6 99.5 59 59 1 S + 0 0 89 -2,-0.1 -1,-0.1 -43,-0.1 -40,-0.0 0.506 41.0 115.6-109.7 -13.3 40.9 32.2 99.4 60 60 1 Q - 0 0 7 -42,-0.1 -43,-1.7 697,-0.1 2,-0.3 -0.135 48.8-157.6 -54.3 153.6 40.6 30.7 102.9 61 61 1 T B -A 16 0A 33 -45,-0.2 3,-0.2 699,-0.1 -45,-0.2 -0.965 18.7-144.6-136.5 154.8 39.7 27.0 103.2 62 62 1 L > + 0 0 24 -47,-2.7 3,-1.7 -2,-0.3 4,-0.3 0.307 66.1 111.1-102.5 9.3 38.2 25.0 106.0 63 63 1 D G > S+ 0 0 11 -48,-0.4 3,-1.7 -51,-0.3 6,-0.3 0.882 77.5 52.8 -49.5 -47.5 40.0 21.8 105.6 64 64 1 E G 3 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.645 103.7 57.6 -67.3 -15.1 42.0 22.2 108.8 65 65 1 M G < S+ 0 0 0 -3,-1.7 517,-3.4 4,-0.1 -1,-0.3 0.341 80.8 119.6 -95.4 3.5 38.8 22.7 110.8 66 66 1 S B <> S-H 581 0D 4 -3,-1.7 4,-2.7 515,-0.3 515,-0.3 -0.288 77.8-117.3 -66.2 157.2 37.3 19.4 109.8 67 67 1 V H > S+ 0 0 3 513,-2.3 4,-2.2 1,-0.2 5,-0.2 0.867 117.1 58.3 -64.2 -30.9 36.5 16.9 112.5 68 68 1 E H > S+ 0 0 21 512,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.918 111.3 40.7 -63.7 -42.9 39.1 14.6 110.9 69 69 1 S H 4 S+ 0 0 24 -6,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.894 112.5 54.1 -71.4 -43.8 41.8 17.2 111.3 70 70 1 F H < S+ 0 0 6 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.899 121.9 28.4 -60.8 -42.2 40.7 18.3 114.8 71 71 1 L H < S+ 0 0 3 -4,-2.2 169,-1.5 -5,-0.2 2,-0.6 0.532 100.1 90.9 -99.4 0.1 40.8 14.9 116.3 72 72 1 G < + 0 0 17 -4,-0.9 2,-0.4 -5,-0.2 -1,-0.2 -0.160 62.1 94.6 -93.3 44.6 43.5 13.4 114.0 73 73 1 R S S- 0 0 68 -2,-0.6 2,-0.3 -3,-0.2 167,-0.2 -0.993 77.1-109.6-134.3 135.9 46.7 14.2 115.9 74 74 1 S + 0 0 10 480,-2.2 2,-0.3 -2,-0.4 165,-0.2 -0.485 40.2 175.3 -67.0 128.0 48.5 11.9 118.3 75 75 1 G E -I 238 0E 16 163,-2.1 163,-2.6 -2,-0.3 2,-0.2 -0.913 37.7 -96.9-130.9 154.3 48.3 12.9 121.9 76 76 1 C E +I 237 0E 27 -2,-0.3 30,-0.4 161,-0.2 161,-0.2 -0.503 38.8 170.5 -71.8 136.5 49.6 11.1 125.0 77 77 1 I E + 0 0 8 159,-3.0 25,-0.3 1,-0.4 2,-0.3 0.455 64.1 8.3-122.7 -5.2 47.0 9.1 126.7 78 78 1 H E -I 236 0E 22 158,-1.0 158,-2.7 24,-0.1 2,-0.5 -0.947 49.6-149.8-173.1 148.0 49.1 7.2 129.3 79 79 1 E E -I 235 0E 96 -2,-0.3 2,-0.4 156,-0.2 156,-0.2 -0.946 23.1-159.2-129.1 103.3 52.6 6.9 130.8 80 80 1 S E -I 234 0E 11 154,-3.1 154,-2.5 -2,-0.5 2,-0.5 -0.731 4.5-158.5 -87.2 131.5 53.5 3.3 131.9 81 81 1 V E +I 233 0E 71 -2,-0.4 2,-0.6 152,-0.2 152,-0.2 -0.937 19.5 177.0-118.7 126.3 56.2 2.8 134.4 82 82 1 L E +I 232 0E 2 150,-2.4 150,-2.8 -2,-0.5 2,-0.7 -0.940 18.7 179.9-120.5 96.8 58.2 -0.4 135.0 83 83 1 D E -I 231 0E 56 -2,-0.6 2,-0.8 148,-0.2 148,-0.2 -0.894 19.4-149.0-106.3 107.1 60.7 0.7 137.7 84 84 1 I + 0 0 8 146,-2.2 4,-0.1 -2,-0.7 -2,-0.0 -0.625 38.2 145.8 -77.2 108.5 63.1 -2.1 138.9 85 85 1 V S S- 0 0 71 -2,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.831 75.2 -27.0-107.2 -58.8 63.9 -1.2 142.5 86 86 1 D S S+ 0 0 127 1,-0.2 2,-0.2 2,-0.0 -2,-0.1 0.407 124.2 47.3-143.8 2.1 64.4 -4.4 144.6 87 87 1 N >> - 0 0 59 1,-0.1 4,-2.1 2,-0.0 3,-0.8 -0.753 51.5-170.0-151.9 98.5 62.4 -7.3 143.1 88 88 1 Y H 3> S+ 0 0 12 1,-0.2 4,-2.0 -2,-0.2 -1,-0.1 0.910 87.8 56.5 -57.8 -43.3 62.6 -8.1 139.3 89 89 1 N H 34 S+ 0 0 87 1,-0.2 66,-0.5 2,-0.2 -1,-0.2 0.790 115.8 35.6 -59.9 -31.2 59.8 -10.6 139.4 90 90 1 D H <4 S+ 0 0 108 -3,-0.8 3,-0.3 1,-0.1 -1,-0.2 0.718 123.2 41.5 -93.0 -27.4 57.3 -8.2 140.9 91 91 1 Q H < S+ 0 0 48 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.541 92.8 78.0-101.2 -7.2 58.5 -5.0 139.2 92 92 1 S S < S+ 0 0 0 -4,-2.0 129,-2.5 -5,-0.2 2,-0.3 0.292 97.3 41.5 -87.2 10.6 59.1 -6.1 135.6 93 93 1 F E +O 220 0F 39 -3,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.989 59.1 161.1-152.2 157.5 55.5 -6.2 134.6 94 94 1 T E -O 219 0F 51 125,-2.3 125,-1.9 -2,-0.3 2,-0.3 -0.907 21.1-133.1-160.0-177.0 52.3 -4.1 135.1 95 95 1 K E -O 218 0F 129 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.990 5.9-159.3-151.7 154.9 48.8 -3.5 133.7 96 96 1 W E -O 217 0F 22 121,-1.5 121,-2.7 -2,-0.3 2,-1.0 -0.996 22.3-130.9-140.6 130.8 46.6 -0.6 132.7 97 97 1 N E -O 216 0F 69 -2,-0.4 119,-0.2 119,-0.2 -2,-0.0 -0.737 44.7-119.7 -81.2 104.8 42.7 -0.4 132.4 98 98 1 I + 0 0 35 117,-1.5 116,-0.5 -2,-1.0 2,-0.3 -0.105 52.1 133.9 -54.8 135.8 42.5 1.3 128.9 99 99 1 N - 0 0 9 -22,-0.1 3,-0.2 115,-0.1 114,-0.0 -0.962 54.4-129.2-171.1 163.0 40.7 4.7 128.5 100 100 1 L S S+ 0 0 47 -2,-0.3 10,-0.1 1,-0.1 -22,-0.1 -0.058 87.4 88.1-111.4 32.7 41.1 8.2 127.0 101 101 1 Q + 0 0 16 1,-0.1 -1,-0.1 -24,-0.1 -24,-0.0 0.495 64.9 73.8-108.5 -10.6 40.3 10.0 130.2 102 102 1 E S S+ 0 0 37 -25,-0.3 673,-0.6 -3,-0.2 2,-0.6 0.649 86.7 60.8 -82.8 -19.3 43.6 10.4 132.0 103 103 1 M > - 0 0 34 1,-0.1 4,-2.0 -26,-0.1 3,-0.3 -0.955 69.4-151.7-114.5 116.6 45.2 13.1 129.9 104 104 1 A H > S+ 0 0 2 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.824 85.3 64.6 -53.6 -39.5 43.4 16.4 129.8 105 105 1 Q H > S+ 0 0 106 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.932 114.3 26.1 -56.7 -52.5 44.6 17.6 126.4 106 106 1 I H > S+ 0 0 12 -30,-0.4 4,-2.2 -3,-0.3 5,-0.3 0.848 116.8 61.5 -82.9 -28.8 43.0 14.9 124.2 107 107 1 R H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.934 103.6 51.6 -59.8 -42.7 40.2 14.1 126.6 108 108 1 R H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 144,-0.2 0.838 108.3 50.1 -63.6 -37.3 38.9 17.7 126.3 109 109 1 K H >< S+ 0 0 25 -4,-0.9 3,-1.4 -5,-0.2 -1,-0.2 0.936 112.3 46.0 -68.5 -46.6 38.9 17.6 122.5 110 110 1 F H >< S+ 0 0 9 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.888 105.4 63.4 -62.8 -35.5 37.0 14.4 122.2 111 111 1 E T 3< S+ 0 0 13 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.200 78.5 83.6 -76.9 18.2 34.6 15.7 124.8 112 112 1 M T < S+ 0 0 0 -3,-1.4 137,-2.4 -5,-0.1 2,-0.3 0.380 93.6 51.8 -96.2 5.8 33.4 18.5 122.6 113 113 1 F E < S-J 248 0E 0 -3,-1.3 134,-0.2 135,-0.3 3,-0.1 -0.890 76.3-139.4-134.6 156.7 31.1 16.0 121.0 114 114 1 T E S+ 0 0 0 132,-2.3 78,-2.8 133,-0.8 79,-1.0 0.845 89.6 17.0 -86.5 -39.8 28.6 13.6 122.6 115 115 1 Y E +JK 246 191E 0 131,-1.5 131,-2.8 76,-0.2 2,-0.3 -0.959 67.0 179.0-131.7 148.7 29.2 10.6 120.4 116 116 1 A E -JK 245 190E 0 74,-1.4 74,-2.8 -2,-0.3 2,-0.4 -0.981 11.4-161.1-152.1 139.7 32.2 9.9 118.2 117 117 1 R E +J 244 0E 35 127,-2.6 127,-1.8 -2,-0.3 2,-0.3 -0.995 30.9 138.5-126.0 124.9 33.0 6.9 116.0 118 118 1 F E - 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