==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 05-JUL-99 1QJU . COMPND 2 MOLECULE: PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS 16; . AUTHOR A.T.HADFIELD,I.MINOR,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) . 34172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 56.8 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 . 77 9.6 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 . 49 6.1 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 6 5 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 0 124 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 118.3 128.5 -88.3 19.9 2 2 1 P H > + 0 0 56 0, 0.0 4,-1.5 0, 0.0 781,-0.1 0.738 360.0 54.3 -53.5 -25.3 130.6 -91.0 18.1 3 3 1 V H > S+ 0 0 3 2,-0.2 4,-2.4 781,-0.2 5,-0.1 0.907 108.6 45.4 -77.3 -42.3 133.7 -89.6 19.8 4 4 1 E H > S+ 0 0 109 -3,-0.5 4,-2.1 2,-0.2 5,-0.2 0.933 114.8 49.8 -62.3 -45.2 132.2 -89.8 23.3 5 5 1 R H X S+ 0 0 170 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.871 108.2 54.6 -59.0 -38.4 131.0 -93.3 22.4 6 6 1 Y H X S+ 0 0 77 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.919 105.2 51.4 -62.8 -44.6 134.6 -94.0 21.2 7 7 1 V H X S+ 0 0 52 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.910 107.8 53.4 -58.9 -41.6 136.0 -92.9 24.5 8 8 1 D H X>S+ 0 0 47 -4,-2.1 5,-2.4 2,-0.2 4,-1.4 0.872 107.4 51.8 -60.8 -37.7 133.6 -95.3 26.2 9 9 1 E H <5S+ 0 0 65 -4,-1.8 3,-0.4 3,-0.2 -2,-0.2 0.966 110.6 47.1 -62.1 -53.5 134.9 -98.1 24.0 10 10 1 V H <5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 120.8 37.9 -56.0 -38.4 138.6 -97.3 24.9 11 11 1 L H <5S- 0 0 96 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.578 106.2-127.4 -90.9 -11.2 137.7 -97.2 28.6 12 12 1 N T <5 + 0 0 98 -4,-1.4 51,-0.3 -3,-0.4 -3,-0.2 0.947 69.5 128.3 62.6 51.0 135.2 -100.1 28.4 13 13 1 E < + 0 0 90 -5,-2.4 3,-0.2 -6,-0.1 -4,-0.2 -0.128 21.9 116.0-126.8 34.6 132.5 -98.0 30.1 14 14 1 V S S+ 0 0 41 -6,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.900 80.2 39.0 -69.9 -42.4 129.6 -98.5 27.6 15 15 1 L S S- 0 0 43 -7,-0.1 47,-2.9 -3,-0.1 48,-0.4 -0.891 78.1-170.9-114.9 102.0 127.4 -100.3 30.1 16 16 1 V B -A 61 0A 101 -2,-0.6 45,-0.2 45,-0.2 43,-0.1 -0.660 19.9-125.7 -93.7 146.3 127.5 -98.9 33.6 17 17 1 V - 0 0 4 43,-2.2 41,-0.2 -2,-0.3 43,-0.1 -0.643 35.7-100.5 -88.6 147.5 125.9 -100.6 36.7 18 18 1 P - 0 0 65 0, 0.0 42,-0.1 0, 0.0 -1,-0.1 -0.204 36.1-108.9 -64.4 157.3 123.5 -98.5 38.8 19 19 1 N - 0 0 55 39,-0.1 2,-0.5 38,-0.1 38,-0.2 -0.274 24.6-115.6 -78.3 167.4 124.5 -96.8 42.1 20 20 1 I B -B 56 0B 16 36,-1.9 36,-2.5 -2,-0.1 2,-0.3 -0.919 33.8-147.8-104.8 131.2 123.4 -97.9 45.5 21 21 1 N - 0 0 87 -2,-0.5 32,-0.2 34,-0.2 2,-0.1 -0.685 22.6 -97.0-100.9 155.7 121.3 -95.2 47.2 22 22 1 Q - 0 0 128 -2,-0.3 2,-0.3 30,-0.1 32,-0.2 -0.459 45.1-169.4 -68.8 137.6 121.0 -94.3 50.8 23 23 1 S - 0 0 15 30,-1.6 26,-0.1 -2,-0.1 29,-0.1 -0.768 5.3-147.1-123.0 172.9 118.0 -96.0 52.5 24 24 1 H - 0 0 118 -2,-0.3 29,-0.1 24,-0.2 27,-0.0 -0.832 33.0 -72.9-135.9 171.1 116.4 -95.5 55.9 25 25 1 P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.338 52.9-163.8 -63.2 146.9 114.5 -97.5 58.5 26 26 1 T - 0 0 118 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.972 27.3-173.7-138.0 154.8 110.9 -98.4 57.5 27 27 1 T + 0 0 152 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.857 39.2 139.9-144.6 95.0 107.7 -99.5 59.1 28 28 1 S - 0 0 82 -2,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.938 61.3-130.0-141.6 163.5 105.2 -100.3 56.4 29 29 1 N S S+ 0 0 169 -2,-0.3 2,-0.6 2,-0.0 -1,-0.0 0.151 90.2 91.6 -97.6 16.8 102.4 -102.7 55.3 30 30 1 A - 0 0 65 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.963 61.5-171.2-110.2 112.1 104.2 -102.9 51.9 31 31 1 A > + 0 0 48 -2,-0.6 3,-1.4 1,-0.2 -2,-0.0 -0.794 13.9 178.1-112.9 90.8 106.6 -105.9 52.2 32 32 1 P T 3 S+ 0 0 62 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 0.841 80.1 64.0 -57.0 -34.9 109.0 -106.0 49.2 33 33 1 V T 3 S+ 0 0 30 16,-0.2 670,-0.9 669,-0.1 2,-0.4 0.751 92.3 76.2 -63.9 -23.2 110.8 -109.0 50.7 34 34 1 L E < +C 702 0C 46 -3,-1.4 2,-0.2 668,-0.2 668,-0.2 -0.746 60.7 128.1 -92.6 135.9 107.6 -111.1 50.4 35 35 1 D E -C 701 0C 49 666,-2.6 666,-2.2 -2,-0.4 2,-0.3 -0.816 54.3 -98.0-160.0-163.3 106.5 -112.4 47.0 36 36 1 A > - 0 0 22 -2,-0.2 3,-1.6 664,-0.2 5,-0.4 -0.842 14.7-169.0-141.8 102.7 105.5 -115.5 45.1 37 37 1 A G > S+ 0 0 6 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.664 80.5 82.7 -62.6 -15.9 108.0 -117.5 43.0 38 38 1 E G 3 S+ 0 0 1 1,-0.3 428,-2.1 427,-0.1 -1,-0.3 0.834 77.8 68.8 -56.7 -34.4 105.0 -119.5 41.6 39 39 1 T G < S- 0 0 19 -3,-1.6 -1,-0.3 426,-0.2 -2,-0.2 0.691 109.8-121.7 -58.6 -21.1 104.5 -116.7 39.2 40 40 1 G S < S+ 0 0 16 -3,-1.9 2,-0.3 1,-0.3 424,-0.2 0.577 75.2 117.9 86.6 10.2 107.7 -117.6 37.4 41 41 1 H - 0 0 84 -5,-0.4 2,-0.4 547,-0.0 -1,-0.3 -0.833 66.7-120.1-111.4 149.4 109.1 -114.1 38.0 42 42 1 T - 0 0 24 -2,-0.3 2,-0.3 -3,-0.1 -5,-0.0 -0.739 32.7-113.6 -88.2 130.4 112.2 -113.1 40.1 43 43 1 N - 0 0 22 -2,-0.4 -8,-0.1 1,-0.1 -1,-0.1 -0.476 23.2-147.2 -63.2 123.5 111.5 -110.8 43.0 44 44 1 K + 0 0 111 -2,-0.3 -1,-0.1 711,-0.0 712,-0.1 0.118 42.7 147.8 -83.9 24.0 113.2 -107.6 42.0 45 45 1 I - 0 0 3 -13,-0.2 659,-0.0 -12,-0.1 -12,-0.0 -0.255 30.0-158.8 -58.1 143.8 114.1 -106.6 45.6 46 46 1 Q >> - 0 0 32 709,-0.1 3,-2.1 710,-0.1 4,-0.5 -0.799 33.2 -96.6-121.3 165.7 117.4 -104.6 45.9 47 47 1 P H >> S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 3,-1.3 0.844 118.9 64.1 -51.3 -38.1 119.7 -104.1 48.9 48 48 1 E H 34 S+ 0 0 30 1,-0.2 5,-0.2 2,-0.2 -24,-0.2 0.748 98.6 58.2 -59.4 -21.8 118.1 -100.7 49.7 49 49 1 D H <4 S+ 0 0 80 -3,-2.1 -1,-0.2 1,-0.1 -16,-0.2 0.707 113.0 33.0 -81.4 -23.1 114.9 -102.5 50.5 50 50 1 T H << S+ 0 0 34 -3,-1.3 2,-0.3 -4,-0.5 641,-0.2 0.589 122.5 22.4-112.1 -13.8 116.2 -104.9 53.2 51 51 1 I S < S- 0 0 46 -4,-1.6 2,-1.0 639,-0.1 -1,-0.1 -0.914 86.2 -92.1-144.1 170.1 118.9 -102.9 55.0 52 52 1 E - 0 0 125 -2,-0.3 2,-0.1 -3,-0.1 -28,-0.1 -0.779 52.5-169.2 -89.2 104.2 119.9 -99.3 55.6 53 53 1 T - 0 0 18 -2,-1.0 -30,-1.6 -32,-0.2 2,-0.2 -0.445 15.9-133.2 -91.3 165.6 122.4 -98.6 52.8 54 54 1 R - 0 0 186 -32,-0.2 2,-0.4 -2,-0.1 -1,-0.0 -0.639 38.3 -90.3-107.1 169.0 124.8 -95.7 52.3 55 55 1 Y + 0 0 111 -2,-0.2 2,-0.4 -34,-0.1 -34,-0.2 -0.695 49.6 178.3 -83.4 132.3 125.1 -93.9 49.0 56 56 1 V B -B 20 0B 59 -36,-2.5 -36,-1.9 -2,-0.4 2,-0.7 -0.992 25.5-134.6-139.0 130.6 127.8 -95.5 46.8 57 57 1 Q - 0 0 137 -2,-0.4 2,-0.2 -38,-0.2 -38,-0.1 -0.748 24.2-140.4 -87.7 116.0 128.9 -94.5 43.3 58 58 1 S + 0 0 22 -2,-0.7 -39,-0.1 -41,-0.2 -42,-0.0 -0.511 27.2 172.4 -77.9 140.6 129.3 -97.5 41.0 59 59 1 S + 0 0 91 -2,-0.2 2,-0.2 -41,-0.1 -1,-0.1 0.133 42.4 116.6-129.2 14.1 132.1 -97.6 38.5 60 60 1 Q - 0 0 13 -43,-0.1 -43,-2.2 -42,-0.1 2,-0.3 -0.599 47.9-156.6 -86.0 148.1 131.7 -101.2 37.3 61 61 1 T B -A 16 0A 32 -2,-0.2 3,-0.2 -45,-0.2 -45,-0.2 -0.927 18.8-148.9-126.2 152.7 130.8 -101.9 33.7 62 62 1 L > + 0 0 24 -47,-2.9 3,-1.4 -2,-0.3 4,-0.2 0.296 67.6 108.7 -99.7 6.8 129.1 -104.8 32.0 63 63 1 D G > S+ 0 0 10 -48,-0.4 3,-2.0 -51,-0.3 6,-0.3 0.899 77.2 52.2 -48.9 -51.3 130.9 -104.6 28.7 64 64 1 E G 3 S+ 0 0 55 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.694 104.1 58.8 -62.4 -19.8 133.0 -107.7 29.3 65 65 1 M G < S+ 0 0 0 -3,-1.4 517,-3.1 695,-0.1 -1,-0.3 0.342 81.1 119.1 -91.4 6.0 129.8 -109.6 30.1 66 66 1 S B <> S-H 581 0D 6 -3,-2.0 4,-2.8 515,-0.3 515,-0.3 -0.298 77.1-118.3 -69.4 156.5 128.3 -108.9 26.6 67 67 1 V H > S+ 0 0 5 513,-2.0 4,-2.5 1,-0.2 5,-0.3 0.887 116.4 57.7 -62.9 -36.9 127.6 -111.7 24.3 68 68 1 E H > S+ 0 0 19 512,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.922 112.1 40.8 -58.5 -43.7 130.1 -110.3 21.8 69 69 1 S H 4 S+ 0 0 22 -6,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.913 112.5 54.2 -71.0 -44.7 132.8 -110.5 24.5 70 70 1 F H < S+ 0 0 6 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.907 123.9 25.6 -57.0 -46.5 131.7 -113.9 25.9 71 71 1 L H < S+ 0 0 4 -4,-2.5 169,-1.6 1,-0.2 2,-0.5 0.492 101.7 89.5 -97.8 -4.5 131.8 -115.6 22.5 72 72 1 G < + 0 0 21 -4,-1.0 2,-0.4 -5,-0.3 -1,-0.2 -0.128 63.3 100.5 -88.5 40.3 134.4 -113.3 20.9 73 73 1 R S S- 0 0 69 -2,-0.5 2,-0.4 -3,-0.2 167,-0.2 -0.993 75.1-118.6-127.3 129.9 137.5 -115.2 22.0 74 74 1 S + 0 0 8 480,-2.4 2,-0.3 -2,-0.4 165,-0.2 -0.506 39.9 171.7 -70.9 120.7 139.4 -117.5 19.6 75 75 1 G E -I 238 0E 16 163,-2.1 163,-2.8 -2,-0.4 2,-0.2 -0.924 38.4 -92.8-129.7 155.8 139.5 -121.1 20.8 76 76 1 C E +I 237 0E 32 -2,-0.3 30,-0.3 161,-0.2 161,-0.2 -0.440 39.2 168.0 -69.1 133.9 140.6 -124.4 19.3 77 77 1 I E + 0 0 9 159,-2.9 25,-0.3 1,-0.4 2,-0.3 0.463 63.9 13.8-122.5 -6.8 138.0 -126.3 17.4 78 78 1 H E -I 236 0E 22 158,-1.0 158,-2.4 24,-0.1 2,-0.5 -0.946 50.8-151.5-168.3 144.4 140.0 -129.0 15.5 79 79 1 E E -I 235 0E 92 -2,-0.3 2,-0.5 156,-0.2 156,-0.2 -0.946 21.1-160.9-124.0 106.3 143.5 -130.5 15.4 80 80 1 S E -I 234 0E 8 154,-3.0 154,-2.8 -2,-0.5 2,-0.4 -0.763 6.1-161.6 -91.4 129.3 144.3 -131.7 11.9 81 81 1 V E +I 233 0E 70 -2,-0.5 2,-0.5 152,-0.2 152,-0.2 -0.945 17.9 179.3-118.0 131.1 147.2 -134.3 11.7 82 82 1 L E -I 232 0E 6 150,-2.4 150,-2.6 -2,-0.4 2,-0.7 -0.933 15.3-179.8-126.4 100.6 149.1 -135.2 8.6 83 83 1 D E -I 231 0E 54 -2,-0.5 2,-0.9 148,-0.2 148,-0.2 -0.906 18.8-149.7-109.8 108.3 151.7 -137.8 9.7 84 84 1 I + 0 0 6 146,-2.2 4,-0.1 -2,-0.7 -2,-0.0 -0.666 37.1 147.8 -78.3 108.8 154.0 -139.1 7.0 85 85 1 V S S- 0 0 70 -2,-0.9 -1,-0.2 2,-0.2 3,-0.1 0.832 74.5 -30.6-105.5 -67.1 154.8 -142.7 8.0 86 86 1 D S S+ 0 0 134 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.435 125.0 52.3-136.5 -6.4 155.3 -145.0 5.0 87 87 1 N > - 0 0 55 1,-0.1 4,-2.8 2,-0.0 -2,-0.2 -0.826 51.7-175.2-140.1 100.9 153.1 -143.7 2.2 88 88 1 Y H > S+ 0 0 12 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.921 84.5 55.3 -59.5 -48.1 153.4 -140.0 1.1 89 89 1 N H 4 S+ 0 0 88 1,-0.2 66,-0.5 2,-0.2 -1,-0.2 0.863 118.0 34.5 -56.1 -37.8 150.6 -140.1 -1.4 90 90 1 D H >4 S+ 0 0 107 -3,-0.2 3,-0.5 1,-0.1 -1,-0.2 0.845 123.1 43.1 -86.3 -35.3 148.1 -141.4 1.1 91 91 1 Q H 3< S+ 0 0 51 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.520 94.3 77.4 -91.0 -4.5 149.3 -139.7 4.2 92 92 1 S T 3< S+ 0 0 0 -4,-2.0 129,-2.4 -5,-0.2 2,-0.3 0.349 97.7 38.2 -88.4 8.1 150.0 -136.2 2.7 93 93 1 F E < +O 220 0F 39 -3,-0.5 2,-0.3 127,-0.2 127,-0.3 -0.984 59.7 165.6-151.6 159.1 146.3 -135.1 2.6 94 94 1 T E -O 219 0F 50 125,-2.4 125,-2.1 -2,-0.3 2,-0.3 -0.928 19.3-135.5-160.0-180.0 143.1 -135.4 4.7 95 95 1 K E -O 218 0F 130 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.988 6.9-160.1-149.0 154.8 139.6 -134.1 5.2 96 96 1 W E -O 217 0F 26 121,-1.8 121,-2.7 -2,-0.3 2,-1.0 -0.999 23.1-129.4-139.4 138.0 137.4 -133.0 8.1 97 97 1 N E -O 216 0F 68 -2,-0.4 119,-0.2 119,-0.2 -2,-0.0 -0.803 44.6-121.4 -88.8 105.4 133.6 -132.7 8.3 98 98 1 I + 0 0 35 117,-1.2 116,-0.6 -2,-1.0 2,-0.3 -0.116 50.8 136.3 -52.5 136.3 133.4 -129.2 9.8 99 99 1 N - 0 0 12 -22,-0.1 3,-0.3 115,-0.1 114,-0.0 -0.947 52.7-131.4-172.0 160.5 131.6 -128.6 13.1 100 100 1 L S S+ 0 0 46 -2,-0.3 10,-0.1 1,-0.1 -22,-0.1 -0.079 88.1 86.2-110.8 30.9 132.0 -126.7 16.4 101 101 1 Q + 0 0 17 1,-0.1 -1,-0.1 -24,-0.1 7,-0.0 0.511 64.6 77.5-108.3 -8.1 131.2 -129.8 18.5 102 102 1 E S S+ 0 0 47 -25,-0.3 673,-0.7 -3,-0.3 2,-0.5 0.646 87.0 58.9 -81.4 -16.1 134.5 -131.5 18.9 103 103 1 M > - 0 0 34 1,-0.1 4,-1.9 -26,-0.1 3,-0.3 -0.954 69.4-151.1-119.7 118.3 136.1 -129.3 21.6 104 104 1 A H > S+ 0 0 2 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.846 85.4 63.4 -51.5 -46.8 134.3 -128.9 24.9 105 105 1 Q H > S+ 0 0 112 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.912 114.9 26.9 -52.9 -54.3 135.5 -125.4 25.9 106 106 1 I H > S+ 0 0 13 -30,-0.3 4,-2.1 -3,-0.3 5,-0.3 0.867 118.0 60.8 -79.5 -32.4 133.9 -123.4 23.0 107 107 1 R H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.943 102.9 51.0 -55.7 -49.4 131.1 -125.9 22.5 108 108 1 R H < S+ 0 0 3 -4,-2.7 144,-0.3 1,-0.2 -1,-0.2 0.843 109.3 51.3 -58.4 -35.9 129.8 -125.4 26.0 109 109 1 K H >< S+ 0 0 24 -4,-0.9 3,-1.4 -5,-0.3 -1,-0.2 0.930 111.4 44.6 -70.2 -46.0 129.7 -121.6 25.7 110 110 1 F H >< S+ 0 0 13 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.890 106.9 62.3 -64.8 -36.4 127.8 -121.5 22.4 111 111 1 E T 3< S+ 0 0 14 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.357 79.3 82.5 -73.7 8.6 125.4 -124.1 23.8 112 112 1 M T < S+ 0 0 0 -3,-1.4 137,-2.4 -5,-0.1 2,-0.3 0.382 94.8 55.4 -89.1 4.6 124.3 -121.8 26.5 113 113 1 F E < S-J 248 0E 0 -3,-1.4 134,-0.2 135,-0.3 3,-0.1 -0.933 75.0-143.1-132.1 154.7 122.0 -120.3 23.8 114 114 1 T E S+ 0 0 0 132,-2.0 78,-2.8 133,-1.1 79,-1.0 0.873 88.6 16.9 -86.4 -40.9 119.4 -122.0 21.6 115 115 1 Y E -JK 246 191E 0 131,-1.6 131,-2.6 76,-0.2 2,-0.3 -0.977 68.2-179.1-131.9 144.6 120.1 -120.0 18.4 116 116 1 A E -JK 245 190E 0 74,-1.5 74,-2.9 -2,-0.4 2,-0.4 -0.997 10.9-163.4-145.2 144.0 123.1 -117.9 17.5 117 117 1 R E +J 244 0E 34 127,-2.7 127,-2.0 -2,-0.3 2,-0.3 -0.998 30.4 136.5-128.5 128.4 124.0 -115.8 14.5 118 118 1 F E - 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