==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 06-NOV-97 1AYN . COMPND 2 MOLECULE: HUMAN RHINOVIRUS 16 COAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS SP.; . AUTHOR A.T.HADFIELD,M.A.OLIVEIRA,R.ZHAO,M.G.ROSSMANN . 804 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 59.1 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 . 200 24.9 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 . 2 0.2 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 . 96 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 5.8 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 3 2 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 . 9 7 1 4 5 6 1 1 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 . 3 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 0 137 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.2 37.7 14.1 89.5 2 2 1 P H > + 0 0 39 0, 0.0 4,-1.4 0, 0.0 781,-0.1 0.770 360.0 54.7 -56.8 -26.3 39.8 12.3 92.2 3 3 1 V H > S+ 0 0 3 2,-0.2 4,-2.1 781,-0.2 5,-0.1 0.906 108.9 44.5 -75.0 -42.3 42.9 14.0 90.8 4 4 1 E H > S+ 0 0 89 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.943 115.6 50.1 -66.1 -38.2 41.5 17.5 91.1 5 5 1 R H X S+ 0 0 131 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.835 107.0 55.9 -65.4 -33.6 40.3 16.4 94.5 6 6 1 Y H X S+ 0 0 74 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.912 104.1 51.6 -64.6 -45.7 43.9 15.1 95.1 7 7 1 V H X S+ 0 0 53 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.899 106.5 55.3 -58.5 -39.7 45.4 18.5 94.4 8 8 1 D H X>S+ 0 0 43 -4,-1.9 5,-2.5 1,-0.2 4,-1.4 0.857 106.1 51.5 -61.1 -37.3 42.9 20.0 96.9 9 9 1 E H <5S+ 0 0 68 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.936 111.9 46.1 -64.3 -47.5 44.2 17.6 99.5 10 10 1 V H <5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 120.4 38.0 -63.6 -40.7 47.8 18.7 98.8 11 11 1 L H <5S- 0 0 98 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.632 107.1-127.4 -86.2 -12.1 47.0 22.4 98.8 12 12 1 N T <5 + 0 0 96 -4,-1.4 51,-0.3 -5,-0.3 -3,-0.2 0.945 69.3 128.2 63.1 51.7 44.5 22.0 101.7 13 13 1 E < + 0 0 86 -5,-2.5 3,-0.2 -6,-0.1 -4,-0.2 -0.098 20.6 118.0-127.1 36.5 41.8 23.7 99.8 14 14 1 V S S+ 0 0 43 -6,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.880 80.8 36.2 -71.4 -38.7 39.0 21.2 100.1 15 15 1 L S S- 0 0 51 -7,-0.1 47,-2.8 -3,-0.1 48,-0.4 -0.915 77.8-168.8-121.5 105.4 36.7 23.6 102.0 16 16 1 V B -A 61 0A 86 -2,-0.6 45,-0.2 45,-0.2 43,-0.1 -0.682 19.5-126.0 -96.6 144.5 36.8 27.2 100.9 17 17 1 V - 0 0 4 43,-2.1 43,-0.2 -2,-0.3 41,-0.1 -0.622 37.5-100.5 -84.6 147.7 35.2 30.1 102.8 18 18 1 P - 0 0 65 0, 0.0 42,-0.1 0, 0.0 -1,-0.1 -0.179 35.3-108.9 -66.2 163.1 32.9 32.4 100.9 19 19 1 N - 0 0 52 39,-0.1 2,-0.5 38,-0.1 38,-0.2 -0.291 24.0-114.7 -83.6 168.5 33.8 35.8 99.4 20 20 1 I B -B 56 0B 16 36,-1.9 36,-2.5 -2,-0.1 2,-0.2 -0.942 32.8-149.1-105.6 125.1 32.6 39.2 100.6 21 21 1 N - 0 0 88 -2,-0.5 2,-0.3 34,-0.2 32,-0.2 -0.624 23.7 -97.0 -96.2 156.4 30.5 41.0 98.0 22 22 1 Q - 0 0 124 -2,-0.2 32,-0.2 30,-0.1 2,-0.2 -0.523 44.2-167.5 -71.6 130.7 30.3 44.7 97.5 23 23 1 S - 0 0 15 30,-1.6 26,-0.1 -2,-0.3 29,-0.1 -0.674 5.2-147.0-114.4 174.3 27.3 46.2 99.2 24 24 1 H - 0 0 119 -2,-0.2 29,-0.1 24,-0.2 2,-0.0 -0.852 33.8 -75.7-136.6 167.3 25.6 49.6 98.9 25 25 1 P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 26,-0.0 -0.375 52.1-163.8 -64.9 148.3 23.8 52.1 101.2 26 26 1 T - 0 0 116 2,-0.1 2,-0.3 -2,-0.0 0, 0.0 -0.952 27.0-173.7-138.0 151.8 20.2 51.1 101.9 27 27 1 T + 0 0 150 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.811 38.8 141.0-141.3 92.3 17.0 52.6 103.3 28 28 1 S - 0 0 82 -2,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.946 60.9-127.9-138.2 162.7 14.5 49.9 103.8 29 29 1 N S S+ 0 0 171 -2,-0.3 2,-0.7 2,-0.0 -1,-0.0 0.269 91.9 89.2 -90.0 11.0 11.7 48.7 106.1 30 30 1 A - 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.947 62.2-171.5-109.1 107.5 13.4 45.3 106.1 31 31 1 A > - 0 0 49 -2,-0.7 3,-1.3 1,-0.2 -2,-0.0 -0.807 12.9-178.5-108.4 95.6 15.9 45.4 109.0 32 32 1 P T 3 S+ 0 0 66 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 0.777 80.2 65.5 -58.8 -31.4 18.2 42.4 109.0 33 33 1 V T 3 S+ 0 0 29 16,-0.2 670,-0.9 669,-0.1 2,-0.4 0.787 90.1 76.4 -64.3 -28.2 20.0 43.6 112.1 34 34 1 L E < +C 702 0C 49 -3,-1.3 2,-0.2 668,-0.2 668,-0.2 -0.707 60.6 129.2 -88.2 135.4 16.8 43.2 114.2 35 35 1 D E -C 701 0C 47 666,-2.7 666,-2.3 -2,-0.4 2,-0.4 -0.809 53.8 -96.8-160.1-165.4 15.8 39.7 115.2 36 36 1 A > - 0 0 22 -2,-0.2 3,-1.6 664,-0.2 5,-0.4 -0.859 14.9-169.6-138.0 106.1 14.7 37.6 118.3 37 37 1 A G > S+ 0 0 8 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.689 81.0 81.2 -65.9 -17.2 17.2 35.5 120.1 38 38 1 E G 3 S+ 0 0 1 1,-0.3 428,-2.0 427,-0.1 -1,-0.3 0.832 78.4 69.2 -57.3 -32.5 14.3 33.9 122.0 39 39 1 T G < S- 0 0 18 -3,-1.6 -1,-0.3 426,-0.2 -2,-0.2 0.684 109.0-122.3 -60.2 -22.2 13.7 31.6 119.0 40 40 1 G S < S+ 0 0 16 -3,-1.9 2,-0.3 1,-0.3 424,-0.2 0.448 74.8 118.1 90.8 3.3 17.0 29.8 119.8 41 41 1 H - 0 0 91 -5,-0.4 2,-0.4 547,-0.1 -1,-0.3 -0.738 65.7-120.7-105.2 149.8 18.4 30.7 116.3 42 42 1 T - 0 0 36 -2,-0.3 2,-0.4 -3,-0.1 546,-0.0 -0.717 31.5-112.6 -89.1 136.3 21.4 32.7 115.5 43 43 1 N - 0 0 17 -2,-0.4 -1,-0.1 1,-0.1 -8,-0.1 -0.570 22.1-149.5 -67.9 121.5 20.9 35.8 113.3 44 44 1 K + 0 0 170 -2,-0.4 -1,-0.1 711,-0.0 712,-0.1 0.087 42.4 147.1 -84.6 29.4 22.6 35.1 110.0 45 45 1 I - 0 0 3 -13,-0.2 659,-0.0 -12,-0.1 -12,-0.0 -0.335 30.5-159.1 -65.8 140.4 23.4 38.7 109.3 46 46 1 Q >> - 0 0 33 709,-0.1 3,-2.4 659,-0.1 4,-0.6 -0.794 33.4 -96.1-117.8 165.8 26.7 39.2 107.4 47 47 1 P H >> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.813 119.9 63.2 -51.1 -32.9 29.0 42.2 107.0 48 48 1 E H 34 S+ 0 0 32 1,-0.2 -24,-0.2 2,-0.2 5,-0.2 0.706 99.8 56.9 -66.0 -18.7 27.4 43.2 103.7 49 49 1 D H <4 S+ 0 0 77 -3,-2.4 -1,-0.2 1,-0.1 -16,-0.2 0.678 113.8 33.3 -85.3 -23.9 24.2 43.8 105.6 50 50 1 T H << S+ 0 0 32 -3,-0.9 2,-0.3 -4,-0.6 -2,-0.2 0.659 123.3 21.7-106.5 -23.7 25.5 46.3 108.2 51 51 1 I S < S- 0 0 47 -4,-1.9 2,-1.1 639,-0.1 -1,-0.1 -0.878 85.4 -93.1-137.1 171.5 28.2 48.3 106.3 52 52 1 E - 0 0 126 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.782 53.2-172.0 -89.3 100.5 29.2 49.1 102.7 53 53 1 T - 0 0 19 -2,-1.1 -30,-1.6 -32,-0.2 2,-0.2 -0.427 16.4-131.4 -90.5 166.4 31.7 46.4 101.9 54 54 1 R - 0 0 189 -32,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.578 37.1 -88.5-105.9 172.1 34.0 46.0 98.9 55 55 1 Y + 0 0 106 -2,-0.2 2,-0.4 -34,-0.1 -34,-0.2 -0.736 50.0 175.9 -85.9 127.6 34.4 42.8 96.9 56 56 1 V B -B 20 0B 59 -36,-2.5 -36,-1.9 -2,-0.5 2,-0.7 -0.996 27.0-135.2-134.9 130.4 37.1 40.6 98.3 57 57 1 Q - 0 0 133 -2,-0.4 2,-0.2 -38,-0.2 -38,-0.1 -0.773 23.8-140.0 -88.2 113.4 38.1 37.1 97.1 58 58 1 S + 0 0 15 -2,-0.7 -39,-0.1 -41,-0.1 -42,-0.0 -0.504 25.7 174.8 -74.6 136.1 38.5 34.7 100.0 59 59 1 S + 0 0 97 -2,-0.2 2,-0.2 -41,-0.1 -1,-0.1 0.059 42.8 114.3-126.4 18.6 41.4 32.3 99.9 60 60 1 Q - 0 0 6 -43,-0.2 -43,-2.1 -42,-0.1 2,-0.3 -0.630 48.6-155.2 -91.6 153.1 41.0 30.8 103.3 61 61 1 T B -A 16 0A 33 -2,-0.2 -45,-0.2 -45,-0.2 3,-0.2 -0.938 19.3-147.9-130.3 154.3 40.0 27.1 103.9 62 62 1 L > + 0 0 24 -47,-2.8 3,-1.5 -2,-0.3 4,-0.2 0.327 67.4 109.3-101.3 8.4 38.4 25.2 106.7 63 63 1 D G > S+ 0 0 13 -48,-0.4 3,-1.8 -51,-0.3 6,-0.3 0.893 77.9 51.7 -51.1 -48.6 40.2 21.9 106.1 64 64 1 E G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.717 103.8 59.6 -65.7 -18.3 42.3 22.3 109.3 65 65 1 M G < S+ 0 0 0 -3,-1.5 517,-3.1 695,-0.1 -1,-0.3 0.322 80.5 118.0 -91.5 4.9 39.1 22.9 111.4 66 66 1 S B <> S-H 581 0D 7 -3,-1.8 4,-2.9 515,-0.3 515,-0.3 -0.340 78.1-116.9 -69.0 156.9 37.6 19.6 110.4 67 67 1 V H > S+ 0 0 5 513,-2.3 4,-2.8 1,-0.2 5,-0.4 0.904 117.0 56.4 -61.8 -37.7 36.8 17.0 113.1 68 68 1 E H > S+ 0 0 19 512,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.913 112.4 41.6 -60.3 -42.7 39.4 14.7 111.5 69 69 1 S H 4 S+ 0 0 22 -6,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.919 114.2 51.5 -69.8 -47.0 42.1 17.4 111.9 70 70 1 F H < S+ 0 0 6 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.897 124.9 26.2 -57.5 -47.9 41.0 18.5 115.4 71 71 1 L H < S+ 0 0 2 -4,-2.8 169,-1.4 -5,-0.2 2,-0.6 0.547 102.1 88.5 -95.4 -7.5 41.1 15.0 116.8 72 72 1 G < + 0 0 19 -4,-1.2 2,-0.4 -5,-0.4 -1,-0.2 -0.088 64.8 99.7 -86.0 40.0 43.6 13.6 114.4 73 73 1 R S S- 0 0 61 -2,-0.6 2,-0.4 -3,-0.2 482,-0.2 -0.988 76.0-115.6-128.2 128.3 46.7 14.5 116.4 74 74 1 S + 0 0 9 480,-2.6 2,-0.3 -2,-0.4 165,-0.2 -0.474 39.7 173.1 -66.5 122.4 48.7 12.1 118.6 75 75 1 G E -I 238 0E 18 163,-1.8 163,-2.7 -2,-0.4 2,-0.2 -0.914 37.9 -97.0-129.1 152.7 48.6 13.0 122.3 76 76 1 C E +I 237 0E 30 -2,-0.3 30,-0.3 161,-0.2 161,-0.3 -0.495 38.3 169.7 -69.8 134.2 49.9 11.2 125.4 77 77 1 I E + 0 0 6 159,-3.0 25,-0.3 1,-0.4 2,-0.3 0.484 63.6 13.2-120.3 -10.7 47.2 9.2 127.2 78 78 1 H E -I 236 0E 23 158,-1.1 158,-2.6 24,-0.1 2,-0.5 -0.966 49.4-151.8-166.4 148.4 49.3 7.2 129.7 79 79 1 E E -I 235 0E 91 -2,-0.3 2,-0.4 156,-0.2 156,-0.2 -0.934 20.9-160.9-127.7 99.4 52.8 6.9 131.2 80 80 1 S E -I 234 0E 8 154,-3.1 154,-2.8 -2,-0.5 2,-0.5 -0.741 8.0-161.2 -83.2 131.6 53.6 3.4 132.2 81 81 1 V E +I 233 0E 73 -2,-0.4 2,-0.6 152,-0.2 152,-0.2 -0.956 18.0 179.5-121.6 126.9 56.4 3.0 134.7 82 82 1 L E +I 232 0E 5 150,-2.4 150,-3.0 -2,-0.5 2,-0.7 -0.934 13.4 178.4-123.5 98.7 58.5 -0.1 135.5 83 83 1 D E -I 231 0E 53 -2,-0.6 2,-0.9 148,-0.3 148,-0.2 -0.907 19.7-149.8-108.1 106.8 61.0 0.9 138.2 84 84 1 I + 0 0 10 146,-2.1 4,-0.1 -2,-0.7 -2,-0.0 -0.652 37.0 148.8 -77.1 106.2 63.2 -2.0 139.3 85 85 1 V S S- 0 0 68 -2,-0.9 -1,-0.2 2,-0.2 3,-0.1 0.844 74.3 -28.5-102.3 -66.6 64.0 -1.1 142.9 86 86 1 D S S+ 0 0 131 1,-0.2 2,-0.4 2,-0.0 -2,-0.1 0.471 125.3 51.1-134.3 -8.6 64.4 -4.2 145.0 87 87 1 N > - 0 0 58 1,-0.1 4,-2.8 2,-0.0 3,-0.2 -0.838 51.4-174.1-139.7 103.6 62.3 -7.0 143.5 88 88 1 Y H > S+ 0 0 13 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.919 85.2 55.3 -59.7 -49.1 62.6 -7.8 139.8 89 89 1 N H 4 S+ 0 0 91 1,-0.2 66,-0.5 2,-0.2 -1,-0.2 0.843 117.9 34.6 -54.3 -39.6 59.9 -10.4 139.7 90 90 1 D H >4 S+ 0 0 108 -3,-0.2 3,-0.5 1,-0.1 -1,-0.2 0.844 122.2 44.2 -86.0 -35.6 57.3 -8.0 141.1 91 91 1 Q H 3< S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.529 94.7 77.0 -89.8 -3.8 58.6 -4.8 139.6 92 92 1 S T 3< S+ 0 0 0 -4,-1.9 129,-2.5 -5,-0.2 2,-0.3 0.406 96.5 39.7 -88.4 2.8 59.2 -6.0 136.0 93 93 1 F E < +O 220 0F 37 -3,-0.5 2,-0.3 127,-0.2 127,-0.2 -0.983 59.5 167.6-147.7 157.6 55.6 -6.1 134.9 94 94 1 T E -O 219 0F 46 125,-2.1 125,-2.0 -2,-0.3 2,-0.3 -0.943 18.8-137.3-158.2 174.8 52.4 -4.0 135.3 95 95 1 K E -O 218 0F 131 -2,-0.3 2,-0.3 123,-0.3 123,-0.2 -0.944 7.4-162.4-140.3 159.4 48.9 -3.4 134.0 96 96 1 W E -O 217 0F 21 121,-1.3 121,-2.6 -2,-0.3 2,-0.9 -0.972 23.3-130.2-148.0 127.5 46.7 -0.4 133.1 97 97 1 N E -O 216 0F 76 -2,-0.3 119,-0.2 119,-0.2 118,-0.0 -0.733 43.8-120.8 -78.9 107.4 42.9 -0.2 132.7 98 98 1 I + 0 0 31 117,-1.6 116,-0.6 -2,-0.9 2,-0.3 -0.234 51.8 135.7 -56.1 135.8 42.8 1.5 129.3 99 99 1 N - 0 0 9 -22,-0.1 3,-0.2 114,-0.1 114,-0.0 -0.962 53.5-132.8-171.3 161.7 41.0 4.9 129.0 100 100 1 L S S+ 0 0 44 -2,-0.3 10,-0.1 1,-0.1 3,-0.1 0.051 87.4 88.1-110.8 23.0 41.3 8.4 127.5 101 101 1 Q + 0 0 13 1,-0.1 -1,-0.1 -24,-0.1 160,-0.1 0.541 67.8 72.7 -98.7 -10.1 40.3 10.1 130.8 102 102 1 E S S+ 0 0 39 -25,-0.3 673,-0.8 -3,-0.2 2,-0.6 0.714 87.7 60.2 -82.1 -22.2 43.7 10.4 132.5 103 103 1 M > - 0 0 39 1,-0.1 4,-2.1 -26,-0.1 3,-0.4 -0.923 67.3-155.9-112.6 113.3 45.3 13.2 130.5 104 104 1 A H > S+ 0 0 3 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.808 84.8 66.3 -53.1 -38.9 43.4 16.5 130.4 105 105 1 Q H > S+ 0 0 122 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.933 114.4 24.8 -53.7 -55.1 44.9 17.7 127.1 106 106 1 I H > S+ 0 0 11 -3,-0.4 4,-2.0 -30,-0.3 3,-0.4 0.868 116.8 63.2 -81.5 -34.3 43.3 15.1 124.9 107 107 1 R H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.914 101.0 52.7 -55.6 -46.0 40.3 14.3 127.1 108 108 1 R H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 144,-0.2 0.830 107.2 51.7 -62.4 -34.2 39.0 17.9 126.8 109 109 1 K H >< S+ 0 0 20 -4,-0.7 3,-1.3 -3,-0.4 -1,-0.2 0.939 112.5 43.9 -70.2 -45.4 39.0 17.8 123.0 110 110 1 F H >< S+ 0 0 3 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.898 106.6 63.3 -65.6 -36.5 37.1 14.6 122.7 111 111 1 E T 3< S+ 0 0 12 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.312 78.8 82.8 -73.1 9.9 34.7 15.8 125.4 112 112 1 M T < S+ 0 0 0 -3,-1.3 137,-2.3 -5,-0.1 2,-0.3 0.359 93.9 54.5 -90.9 5.4 33.5 18.6 123.2 113 113 1 F E < S-J 248 0E 0 -3,-1.4 134,-0.2 135,-0.3 3,-0.1 -0.942 76.1-140.8-135.0 151.1 31.2 16.1 121.6 114 114 1 T E S+ 0 0 0 132,-1.9 78,-2.8 133,-1.3 79,-1.0 0.865 89.2 17.5 -81.0 -40.7 28.7 13.8 123.2 115 115 1 Y E -JK 246 191E 0 131,-1.6 131,-2.7 76,-0.2 2,-0.3 -0.980 67.8-178.5-131.7 146.3 29.4 10.7 121.0 116 116 1 A E -JK 245 190E 0 74,-1.7 74,-3.1 -2,-0.4 2,-0.4 -0.997 9.8-164.5-147.3 141.2 32.4 9.9 118.9 117 117 1 R E +J 244 0E 32 127,-2.9 127,-2.0 -2,-0.3 2,-0.3 -0.999 30.5 132.3-127.3 129.1 33.3 7.0 116.6 118 118 1 F E - 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