==== 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 06-JUL-99 1QJX . COMPND 2 MOLECULE: PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS 16; . AUTHOR A.T.HADFIELD,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) . 34254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 58.0 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 . 84 10.4 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 . 48 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 0 117 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 115.8 128.7 -88.3 19.9 2 2 1 P H > + 0 0 60 0, 0.0 4,-1.4 0, 0.0 781,-0.1 0.763 360.0 53.3 -52.1 -26.0 130.6 -91.1 18.0 3 3 1 V H > S+ 0 0 3 2,-0.2 4,-2.6 781,-0.2 5,-0.2 0.925 108.5 45.7 -77.2 -45.5 133.7 -89.6 19.8 4 4 1 E H > S+ 0 0 107 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.892 115.3 49.0 -61.2 -39.0 132.2 -89.8 23.3 5 5 1 R H X S+ 0 0 169 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.871 108.0 55.8 -66.0 -37.6 131.1 -93.3 22.4 6 6 1 Y H X S+ 0 0 78 -4,-1.4 4,-2.3 -5,-0.4 3,-0.5 0.948 105.4 49.7 -60.2 -49.9 134.6 -93.9 21.2 7 7 1 V H X S+ 0 0 53 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.890 108.1 54.4 -56.2 -40.4 136.1 -92.9 24.6 8 8 1 D H X>S+ 0 0 48 -4,-1.9 5,-2.6 1,-0.2 4,-0.9 0.843 108.0 50.7 -62.4 -33.8 133.6 -95.3 26.2 9 9 1 E H <5S+ 0 0 65 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.924 110.8 46.9 -68.8 -46.4 134.9 -98.1 24.0 10 10 1 V H <5S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 121.4 38.0 -63.4 -38.1 138.6 -97.4 24.9 11 11 1 L H <5S- 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.546 105.8-128.7 -90.1 -9.6 137.7 -97.2 28.6 12 12 1 N T <5 + 0 0 96 -4,-0.9 51,-0.3 -5,-0.2 -3,-0.2 0.939 68.2 129.3 59.6 49.0 135.2 -100.1 28.3 13 13 1 E < + 0 0 89 -5,-2.6 3,-0.2 -6,-0.1 -4,-0.2 -0.224 22.2 116.8-125.1 41.5 132.5 -98.0 30.1 14 14 1 V S S+ 0 0 39 -6,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.856 79.3 37.9 -78.3 -36.6 129.6 -98.5 27.6 15 15 1 L S S- 0 0 43 -7,-0.1 47,-3.0 -3,-0.1 48,-0.4 -0.898 77.9-170.6-120.8 102.5 127.3 -100.3 30.1 16 16 1 V B -A 61 0A 102 -2,-0.6 45,-0.2 45,-0.2 43,-0.1 -0.608 18.9-126.8 -92.6 152.6 127.5 -99.0 33.6 17 17 1 V - 0 0 5 43,-2.0 43,-0.2 -2,-0.2 41,-0.1 -0.729 35.7 -99.0 -95.8 146.4 125.9 -100.6 36.7 18 18 1 P - 0 0 67 0, 0.0 42,-0.1 0, 0.0 -1,-0.1 -0.128 35.1-110.9 -62.8 158.9 123.6 -98.5 38.9 19 19 1 N - 0 0 54 39,-0.1 2,-0.5 38,-0.1 38,-0.2 -0.265 25.1-115.8 -80.4 170.8 124.6 -96.8 42.1 20 20 1 I B -B 56 0B 14 36,-2.1 36,-2.8 -2,-0.1 2,-0.2 -0.949 33.2-147.4-108.7 133.1 123.4 -97.9 45.5 21 21 1 N - 0 0 86 -2,-0.5 32,-0.2 34,-0.2 34,-0.1 -0.663 22.5 -96.3-101.5 157.6 121.3 -95.2 47.2 22 22 1 Q - 0 0 127 -2,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.421 45.6-169.9 -68.1 142.8 121.1 -94.3 50.9 23 23 1 S - 0 0 16 30,-1.9 26,-0.1 -2,-0.1 29,-0.0 -0.837 5.5-146.5-130.3 169.9 118.0 -95.9 52.5 24 24 1 H - 0 0 116 -2,-0.3 29,-0.1 24,-0.2 27,-0.0 -0.850 32.8 -72.8-135.7 169.6 116.3 -95.6 55.9 25 25 1 P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.292 53.0-165.5 -58.6 146.7 114.4 -97.5 58.6 26 26 1 T - 0 0 117 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.982 26.6-175.0-139.8 151.2 110.9 -98.4 57.5 27 27 1 T + 0 0 147 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.856 38.1 137.3-142.5 100.0 107.7 -99.6 59.1 28 28 1 S - 0 0 79 -2,-0.3 -2,-0.1 2,-0.2 0, 0.0 -0.965 62.1-125.3-148.0 159.6 105.2 -100.2 56.5 29 29 1 N S S+ 0 0 171 -2,-0.3 2,-0.6 2,-0.0 -1,-0.0 0.157 90.2 92.4 -91.8 19.6 102.5 -102.7 55.4 30 30 1 A - 0 0 64 0, 0.0 -2,-0.2 0, 0.0 0, 0.0 -0.973 60.1-171.1-109.9 115.9 104.2 -102.9 52.0 31 31 1 A > + 0 0 49 -2,-0.6 3,-1.5 1,-0.2 -2,-0.0 -0.783 14.0 177.1-115.8 89.8 106.6 -105.9 52.2 32 32 1 P T 3 S+ 0 0 65 0, 0.0 13,-0.2 0, 0.0 -1,-0.2 0.837 79.6 65.1 -57.1 -34.7 108.9 -106.0 49.2 33 33 1 V T 3 S+ 0 0 29 16,-0.2 670,-1.0 669,-0.1 2,-0.4 0.753 92.2 76.1 -61.9 -23.5 110.8 -109.0 50.6 34 34 1 L E < +C 702 0C 44 -3,-1.5 668,-0.2 668,-0.2 2,-0.2 -0.738 60.2 125.0 -93.8 137.5 107.6 -111.1 50.4 35 35 1 D E -C 701 0C 52 666,-2.4 666,-2.3 -2,-0.4 2,-0.3 -0.773 55.1 -95.1-160.2-157.0 106.5 -112.5 47.0 36 36 1 A > - 0 0 22 -2,-0.2 3,-1.7 664,-0.2 5,-0.4 -0.807 14.3-169.1-147.4 102.0 105.5 -115.7 45.1 37 37 1 A G > S+ 0 0 9 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.675 81.6 82.9 -62.9 -16.2 108.1 -117.6 43.0 38 38 1 E G 3 S+ 0 0 0 1,-0.3 428,-2.3 427,-0.1 -1,-0.3 0.845 78.5 67.2 -55.1 -36.1 105.1 -119.6 41.7 39 39 1 T G < S- 0 0 19 -3,-1.7 -1,-0.3 426,-0.2 -2,-0.2 0.752 109.2-122.4 -57.3 -29.3 104.5 -116.7 39.2 40 40 1 G S < S+ 0 0 17 -3,-1.7 2,-0.3 1,-0.4 424,-0.2 0.379 74.9 116.5 98.3 -3.0 107.7 -117.6 37.5 41 41 1 H - 0 0 89 -5,-0.4 2,-0.4 547,-0.1 -1,-0.4 -0.735 67.3-120.0-100.3 148.8 109.1 -114.1 38.0 42 42 1 T - 0 0 22 -2,-0.3 2,-0.3 -3,-0.1 -5,-0.0 -0.733 33.8-109.9 -87.7 130.9 112.2 -113.2 40.1 43 43 1 N - 0 0 22 -2,-0.4 -1,-0.1 1,-0.2 -8,-0.1 -0.440 24.1-147.9 -61.7 119.7 111.5 -110.8 43.0 44 44 1 K + 0 0 116 -2,-0.3 -1,-0.2 711,-0.0 712,-0.1 0.188 44.2 144.9 -78.4 19.7 113.1 -107.5 42.0 45 45 1 I - 0 0 3 -13,-0.2 659,-0.0 -12,-0.1 -12,-0.0 -0.232 31.0-160.4 -59.5 143.4 114.0 -106.5 45.6 46 46 1 Q >> - 0 0 33 709,-0.1 3,-2.1 710,-0.1 4,-0.6 -0.798 33.9 -94.7-122.3 166.9 117.3 -104.6 46.0 47 47 1 P H >> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 3,-1.3 0.847 119.1 63.4 -49.2 -40.3 119.7 -104.0 48.9 48 48 1 E H 34 S+ 0 0 33 1,-0.3 -24,-0.2 2,-0.2 5,-0.2 0.751 98.9 58.6 -58.9 -21.6 118.1 -100.7 49.8 49 49 1 D H <4 S+ 0 0 80 -3,-2.1 -1,-0.3 1,-0.1 -16,-0.2 0.728 113.3 32.1 -81.1 -24.6 114.9 -102.5 50.5 50 50 1 T H << S+ 0 0 33 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.605 122.2 24.3-111.5 -13.3 116.2 -104.9 53.2 51 51 1 I S < S- 0 0 47 -4,-1.7 2,-1.0 639,-0.1 -1,-0.1 -0.927 85.1 -94.2-143.3 168.4 118.9 -102.9 55.0 52 52 1 E - 0 0 123 -2,-0.3 2,-0.2 -3,-0.1 -28,-0.1 -0.768 52.8-170.9 -88.9 104.3 119.9 -99.3 55.7 53 53 1 T - 0 0 18 -2,-1.0 -30,-1.9 -32,-0.2 2,-0.2 -0.474 17.4-131.7 -93.8 164.4 122.4 -98.6 52.9 54 54 1 R - 0 0 186 -32,-0.2 2,-0.5 -2,-0.2 -1,-0.1 -0.550 39.1 -89.6-102.7 173.6 124.8 -95.7 52.3 55 55 1 Y - 0 0 116 -2,-0.2 2,-0.4 -34,-0.1 -34,-0.2 -0.755 49.8-179.1 -88.1 129.5 125.1 -93.9 49.0 56 56 1 V B -B 20 0B 59 -36,-2.8 -36,-2.1 -2,-0.5 2,-0.7 -0.995 24.1-135.8-134.5 132.3 127.8 -95.5 46.8 57 57 1 Q - 0 0 135 -2,-0.4 2,-0.1 -38,-0.2 -38,-0.1 -0.758 23.5-143.2 -89.8 112.4 128.9 -94.5 43.3 58 58 1 S + 0 0 21 -2,-0.7 -39,-0.1 -41,-0.1 -42,-0.0 -0.426 26.5 171.9 -75.1 144.6 129.3 -97.5 41.0 59 59 1 S + 0 0 90 -2,-0.1 2,-0.3 -41,-0.1 -1,-0.1 0.099 41.8 117.1-136.1 16.8 132.1 -97.7 38.5 60 60 1 Q - 0 0 11 -43,-0.2 -43,-2.0 -42,-0.1 2,-0.3 -0.637 47.3-157.7 -87.7 147.1 131.7 -101.2 37.3 61 61 1 T B -A 16 0A 32 -2,-0.3 3,-0.3 -45,-0.2 -45,-0.2 -0.932 19.7-147.2-127.3 152.9 130.7 -101.9 33.7 62 62 1 L > + 0 0 23 -47,-3.0 3,-1.3 -2,-0.3 4,-0.2 0.265 67.5 109.8 -99.7 10.5 129.1 -104.8 32.0 63 63 1 D G > S+ 0 0 11 -48,-0.4 3,-1.9 -51,-0.3 6,-0.3 0.918 77.2 51.7 -51.1 -50.6 131.0 -104.5 28.7 64 64 1 E G 3 S+ 0 0 53 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.671 104.0 58.9 -63.3 -17.8 133.0 -107.7 29.3 65 65 1 M G < S+ 0 0 0 -3,-1.3 517,-3.1 695,-0.1 -1,-0.3 0.311 80.7 120.2 -93.8 7.5 129.8 -109.7 30.0 66 66 1 S B <> S-H 581 0D 5 -3,-1.9 4,-3.1 515,-0.2 515,-0.3 -0.332 76.5-118.2 -70.4 155.2 128.4 -108.9 26.6 67 67 1 V H > S+ 0 0 5 513,-2.1 4,-2.3 1,-0.2 5,-0.3 0.889 116.7 56.5 -61.1 -36.8 127.5 -111.7 24.3 68 68 1 E H > S+ 0 0 20 512,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.902 112.6 41.5 -62.2 -38.6 130.1 -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 0.916 111.7 54.3 -74.5 -44.3 132.7 -110.5 24.5 70 70 1 F H < S+ 0 0 6 -4,-3.1 3,-0.2 1,-0.2 -2,-0.2 0.901 123.6 26.0 -56.9 -45.0 131.7 -113.9 25.9 71 71 1 L H < S+ 0 0 4 -4,-2.3 169,-1.5 -5,-0.2 2,-0.5 0.521 100.6 90.3 -98.0 -5.3 131.9 -115.6 22.5 72 72 1 G < + 0 0 20 -4,-0.9 2,-0.4 -5,-0.3 -1,-0.2 -0.076 62.9 101.3 -85.3 37.0 134.4 -113.3 20.9 73 73 1 R S S- 0 0 71 -2,-0.5 2,-0.3 -3,-0.2 167,-0.2 -0.982 75.5-116.8-124.5 129.6 137.5 -115.2 22.0 74 74 1 S + 0 0 9 480,-2.4 2,-0.3 -2,-0.4 165,-0.2 -0.465 41.1 172.6 -67.0 120.9 139.5 -117.5 19.7 75 75 1 G E -I 238 0E 15 163,-2.4 163,-2.9 -2,-0.3 2,-0.2 -0.914 37.2 -94.9-129.3 156.6 139.4 -121.1 20.8 76 76 1 C E +I 237 0E 31 -2,-0.3 30,-0.4 161,-0.2 161,-0.2 -0.475 39.4 166.3 -72.2 135.7 140.6 -124.4 19.3 77 77 1 I E + 0 0 9 159,-2.9 25,-0.3 1,-0.4 2,-0.3 0.441 63.7 14.8-125.8 -5.9 138.0 -126.4 17.4 78 78 1 H E -I 236 0E 21 158,-0.9 158,-2.6 24,-0.1 2,-0.5 -0.940 49.4-153.4-169.3 144.9 140.0 -128.9 15.5 79 79 1 E E -I 235 0E 93 -2,-0.3 2,-0.5 156,-0.2 156,-0.2 -0.938 21.3-161.2-125.9 103.1 143.5 -130.5 15.4 80 80 1 S E -I 234 0E 9 154,-2.9 154,-2.8 -2,-0.5 2,-0.4 -0.752 7.0-159.8 -89.2 129.7 144.3 -131.8 11.9 81 81 1 V E +I 233 0E 70 -2,-0.5 2,-0.5 152,-0.2 152,-0.2 -0.919 19.4 179.0-116.6 134.5 147.1 -134.3 11.6 82 82 1 L E +I 232 0E 5 150,-1.9 150,-2.9 -2,-0.4 2,-0.7 -0.915 14.0 179.3-130.1 98.7 149.2 -135.3 8.6 83 83 1 D E -I 231 0E 55 -2,-0.5 2,-0.9 148,-0.2 148,-0.2 -0.899 18.6-150.6-107.3 104.9 151.7 -137.9 9.8 84 84 1 I + 0 0 7 146,-2.0 4,-0.1 -2,-0.7 -2,-0.0 -0.657 36.3 149.0 -77.0 109.2 153.9 -139.1 7.0 85 85 1 V S S- 0 0 68 -2,-0.9 -1,-0.2 2,-0.2 3,-0.1 0.837 73.3 -30.6-105.1 -64.5 154.8 -142.7 8.0 86 86 1 D S S+ 0 0 133 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.433 124.2 52.3-139.5 -4.6 155.3 -144.9 5.0 87 87 1 N > - 0 0 55 1,-0.1 4,-2.9 2,-0.0 3,-0.4 -0.788 52.5-173.8-141.8 97.6 153.2 -143.7 2.1 88 88 1 Y H > S+ 0 0 13 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.902 85.0 55.1 -56.7 -46.9 153.4 -140.1 1.1 89 89 1 N H 4 S+ 0 0 87 1,-0.2 66,-0.6 2,-0.2 -1,-0.2 0.876 117.7 35.6 -58.3 -36.2 150.6 -140.2 -1.5 90 90 1 D H 4 S+ 0 0 106 -3,-0.4 3,-0.5 1,-0.1 -1,-0.2 0.850 122.4 42.6 -86.6 -33.3 148.2 -141.5 1.1 91 91 1 Q H < S+ 0 0 48 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.494 93.9 78.9 -93.4 -2.1 149.4 -139.7 4.2 92 92 1 S S < S+ 0 0 0 -4,-1.8 129,-2.4 -5,-0.2 2,-0.3 0.273 97.0 36.6 -90.7 12.7 150.0 -136.2 2.7 93 93 1 F E +O 220 0F 40 -3,-0.5 2,-0.3 127,-0.2 127,-0.2 -0.989 59.2 166.5-157.2 158.5 146.3 -135.1 2.7 94 94 1 T E -O 219 0F 48 125,-2.2 125,-1.9 -2,-0.3 2,-0.3 -0.920 19.3-133.5-159.5-178.1 143.2 -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 -0.991 7.4-160.8-149.8 153.5 139.7 -134.1 5.3 96 96 1 W E -O 217 0F 24 121,-1.7 121,-2.5 -2,-0.3 2,-0.9 -0.999 23.1-129.6-140.2 132.9 137.4 -133.0 8.1 97 97 1 N E -O 216 0F 73 -2,-0.4 119,-0.2 119,-0.2 -2,-0.0 -0.755 44.0-121.9 -81.9 108.7 133.6 -132.7 8.3 98 98 1 I + 0 0 38 117,-1.6 116,-0.6 -2,-0.9 2,-0.3 -0.168 51.1 134.5 -57.1 138.5 133.4 -129.2 9.8 99 99 1 N - 0 0 13 -22,-0.1 3,-0.3 115,-0.1 114,-0.0 -0.945 53.9-129.8-173.8 160.9 131.6 -128.6 13.1 100 100 1 L S S+ 0 0 48 -2,-0.3 10,-0.1 1,-0.1 3,-0.1 -0.045 88.1 86.8-110.0 29.8 132.0 -126.7 16.4 101 101 1 Q + 0 0 17 1,-0.1 -1,-0.1 -24,-0.1 -24,-0.0 0.488 64.5 77.2-107.4 -5.5 131.2 -129.8 18.5 102 102 1 E S S+ 0 0 44 -25,-0.3 673,-0.6 -3,-0.3 2,-0.5 0.674 87.3 58.0 -82.9 -16.7 134.5 -131.5 18.9 103 103 1 M > - 0 0 35 1,-0.1 4,-1.8 -26,-0.1 3,-0.2 -0.958 69.1-152.1-118.9 119.3 136.1 -129.3 21.6 104 104 1 A H > S+ 0 0 3 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 0.849 84.6 65.6 -54.8 -43.7 134.3 -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 0.918 114.7 25.4 -51.3 -56.3 135.5 -125.5 25.8 106 106 1 I H > S+ 0 0 14 -30,-0.4 4,-2.1 -3,-0.2 5,-0.3 0.833 118.2 61.6 -80.3 -29.2 133.9 -123.4 23.1 107 107 1 R H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.949 102.3 51.4 -59.0 -48.5 131.1 -125.9 22.5 108 108 1 R H < S+ 0 0 2 -4,-2.8 144,-0.2 1,-0.2 -1,-0.2 0.853 109.1 51.3 -57.7 -37.9 129.8 -125.4 26.0 109 109 1 K H >< S+ 0 0 23 -4,-0.9 3,-1.6 -5,-0.3 -1,-0.2 0.957 111.6 44.1 -67.2 -51.1 129.7 -121.6 25.6 110 110 1 F H >< S+ 0 0 12 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.900 106.4 64.4 -60.5 -36.8 127.8 -121.5 22.4 111 111 1 E T 3< S+ 0 0 15 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.274 78.1 83.1 -73.9 15.7 125.5 -124.1 23.8 112 112 1 M T < S+ 0 0 0 -3,-1.6 137,-2.4 -5,-0.1 2,-0.3 0.369 93.8 53.3 -95.5 5.1 124.3 -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 -0.923 74.9-140.4-134.3 155.8 121.9 -120.4 23.8 114 114 1 T E S+ 0 0 0 132,-2.1 78,-2.9 133,-1.1 79,-1.0 0.871 89.0 16.4 -85.3 -41.3 119.4 -122.0 21.6 115 115 1 Y E +JK 246 191E 0 131,-1.5 131,-2.8 76,-0.2 2,-0.3 -0.955 67.1 177.8-131.2 151.6 120.1 -120.0 18.5 116 116 1 A E -JK 245 190E 0 74,-1.5 74,-3.0 -2,-0.3 2,-0.4 -0.985 12.5-161.2-154.6 144.1 123.0 -117.8 17.5 117 117 1 R E +J 244 0E 34 127,-2.9 127,-2.0 -2,-0.3 2,-0.3 -0.997 30.5 137.2-129.7 127.7 124.0 -115.8 14.5 118 118 1 F E - 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