==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS/DNA 03-DEC-91 2BPA . COMPND 2 MOLECULE: PROTEIN (SUBUNIT OF BACTERIOPHAGE PHIX174); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE PHIX174; . AUTHOR R.MCKENNA,D.XIA,P.WILLINGMANN,L.L.ILAG,S.KRISHNASWAMY, . 637 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 25.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 61 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 0 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 1 3 3 0 0 2 0 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 1 0 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 S 0 0 173 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.2 -0.1 40.9 111.0 2 2 1 N - 0 0 156 424,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.904 360.0-153.3-108.7 139.8 -0.2 38.3 108.2 3 3 1 I - 0 0 113 -2,-0.4 2,-1.7 0, 0.0 3,-0.1 -0.731 30.6 -90.8-116.4 165.6 2.4 35.5 108.4 4 4 1 Q + 0 0 94 -2,-0.3 417,-0.0 1,-0.2 422,-0.0 -0.661 50.3 171.5 -76.3 76.5 4.1 33.1 106.0 5 5 1 T + 0 0 123 -2,-1.7 2,-0.2 2,-0.0 -1,-0.2 0.592 53.5 44.3 -68.5 -21.2 1.5 30.3 106.2 6 6 1 G - 0 0 41 -3,-0.1 2,-0.3 410,-0.0 -2,-0.0 -0.632 54.5-166.0-121.4-173.2 2.9 28.2 103.4 7 7 1 A - 0 0 31 -2,-0.2 2,-0.6 410,-0.1 408,-0.1 -0.965 21.4-129.1-157.6 148.9 6.0 26.7 102.0 8 8 1 E - 0 0 162 -2,-0.3 408,-0.3 408,-0.2 2,-0.1 -0.944 31.3-110.0-114.3 132.3 6.7 25.1 98.7 9 9 1 R + 0 0 112 -2,-0.6 406,-0.3 406,-0.2 404,-0.1 -0.395 49.0 162.1 -55.0 123.3 8.5 21.8 98.5 10 10 1 M E -A 414 0A 62 404,-2.2 404,-1.3 -2,-0.1 2,-0.1 -0.921 46.3 -80.5-141.2 159.6 12.0 22.1 97.1 11 11 1 P E -A 413 0A 82 0, 0.0 2,-0.5 0, 0.0 402,-0.2 -0.474 39.5-158.3 -65.5 132.3 15.1 19.9 97.2 12 12 1 H E -A 412 0A 37 400,-3.2 400,-2.9 -2,-0.1 2,-1.0 -0.969 11.3-141.0-111.8 122.8 17.2 20.2 100.5 13 13 1 D E +A 411 0A 121 -2,-0.5 398,-0.2 398,-0.2 396,-0.0 -0.789 30.1 165.5 -90.8 102.0 20.8 19.1 100.2 14 14 1 L + 0 0 58 396,-1.9 397,-0.2 -2,-1.0 -1,-0.1 -0.080 23.5 146.1-105.8 30.8 21.6 17.2 103.5 15 15 1 S + 0 0 32 395,-0.3 2,-0.3 394,-0.1 394,-0.2 -0.228 17.9 163.7 -63.6 153.4 24.8 15.8 102.2 16 16 1 H E -B 408 0A 65 392,-1.8 392,-2.1 2,-0.0 2,-0.2 -0.982 36.6-103.7-167.0 157.8 27.7 15.2 104.7 17 17 1 L E -B 407 0A 109 -2,-0.3 2,-0.4 390,-0.2 390,-0.2 -0.559 27.2-152.9 -88.9 157.9 31.0 13.4 105.1 18 18 1 G E -B 406 0A 8 388,-2.7 388,-2.5 -2,-0.2 2,-0.6 -0.997 9.5-170.8-130.2 121.9 31.3 10.2 107.3 19 19 1 F E -B 405 0A 162 -2,-0.4 2,-0.2 386,-0.2 386,-0.2 -0.957 29.4-179.5-116.5 101.0 34.7 9.1 109.0 20 20 1 L E +B 404 0A 27 384,-2.7 384,-1.5 -2,-0.6 2,-0.3 -0.633 23.3 169.3-107.5 162.2 33.9 5.7 110.3 21 21 1 A E +B 403 0A 28 382,-0.3 2,-0.3 -2,-0.2 382,-0.3 -0.899 12.5 154.4-167.4 138.1 35.5 2.8 112.3 22 22 1 G E -B 402 0A 0 380,-2.0 379,-1.8 377,-0.3 380,-1.8 -0.852 38.1 -95.4-154.0-172.5 34.2 -0.4 113.9 23 23 1 Q - 0 0 7 135,-0.4 266,-0.4 -2,-0.3 3,-0.3 -0.427 49.0 -94.1-104.6 179.8 34.9 -4.0 115.1 24 24 1 I S S+ 0 0 0 1,-0.2 265,-0.6 -2,-0.2 361,-0.0 0.959 109.0 18.9 -77.6 -50.8 34.2 -7.1 113.0 25 25 1 G S S+ 0 0 1 263,-0.1 137,-2.7 265,-0.1 2,-0.4 0.255 96.3 110.2-106.9 20.0 30.7 -8.6 113.9 26 26 1 R E -E 161 0B 15 -3,-0.3 2,-0.6 135,-0.2 263,-0.4 -0.841 65.5-130.4-101.9 134.1 29.1 -5.5 115.6 27 27 1 L E -E 160 0B 0 133,-2.4 133,-0.7 -2,-0.4 2,-0.4 -0.714 32.9-175.9 -77.0 115.9 26.3 -3.5 114.0 28 28 1 I E -F 287 0C 12 259,-2.0 259,-2.1 -2,-0.6 2,-0.4 -0.930 27.3-122.8-124.0 142.4 27.1 0.2 114.0 29 29 1 T E +F 286 0C 5 79,-1.8 257,-0.3 -2,-0.4 81,-0.2 -0.691 29.2 173.3 -76.7 126.3 25.2 3.4 112.9 30 30 1 I E + 0 0 15 255,-3.4 2,-0.3 -2,-0.4 256,-0.2 0.616 64.2 9.1-110.8 -18.3 27.1 5.3 110.3 31 31 1 S E -F 285 0C 10 254,-1.9 254,-2.6 -13,-0.1 -1,-0.4 -0.973 55.0-175.2-159.1 147.5 24.5 7.9 109.4 32 32 1 T E -F 284 0C 44 -2,-0.3 252,-0.2 252,-0.2 91,-0.0 -0.977 2.0-172.6-146.9 135.5 21.1 9.2 110.6 33 33 1 T E -F 283 0C 11 250,-1.7 250,-1.7 -2,-0.3 2,-0.4 -0.990 22.7-135.0-130.5 117.1 18.8 11.8 109.0 34 34 1 P E -F 282 0C 90 0, 0.0 2,-0.3 0, 0.0 248,-0.3 -0.660 28.3-158.7 -73.0 129.8 15.8 13.1 110.8 35 35 1 V E -F 281 0C 4 246,-3.4 246,-2.3 -2,-0.4 2,-0.3 -0.804 6.8-138.9-111.5 146.5 12.7 13.2 108.2 36 36 1 I > - 0 0 59 -2,-0.3 3,-2.4 244,-0.2 241,-0.2 -0.756 39.3 -84.3-105.1 151.2 9.4 15.1 108.3 37 37 1 A T 3 S+ 0 0 45 -2,-0.3 242,-0.2 1,-0.3 3,-0.1 -0.332 114.9 19.4 -56.5 128.3 6.0 13.8 107.4 38 38 1 G T 3 S+ 0 0 20 239,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.445 91.0 129.6 90.3 5.2 5.6 14.1 103.6 39 39 1 D < - 0 0 2 -3,-2.4 238,-3.8 238,-0.2 2,-0.5 -0.585 52.4-135.7 -95.1 162.5 9.2 14.5 102.6 40 40 1 S E -CD 276 413A 20 373,-1.2 373,-3.0 236,-0.3 2,-0.4 -0.941 23.0-159.0-105.7 130.2 10.8 12.4 99.9 41 41 1 F E +CD 275 412A 2 234,-3.6 234,-1.5 -2,-0.5 2,-0.3 -0.940 16.8 167.0-120.8 136.7 14.3 11.0 100.7 42 42 1 E E - D 0 411A 50 369,-1.9 369,-2.2 -2,-0.4 2,-0.3 -0.992 8.4-174.8-142.0 146.0 17.0 9.8 98.5 43 43 1 M E -CD 272 410A 3 229,-1.8 229,-2.5 -2,-0.3 2,-0.5 -0.999 18.9-167.1-147.2 144.2 20.7 9.0 99.2 44 44 1 D E -CD 271 409A 60 365,-3.1 365,-2.8 -2,-0.3 2,-0.6 -0.915 14.5-170.9-129.7 100.1 23.9 8.0 97.4 45 45 1 A E +CD 270 408A 2 225,-3.6 225,-2.6 -2,-0.5 2,-0.5 -0.827 11.9 171.3 -91.6 119.8 26.6 6.8 99.8 46 46 1 V E +CD 269 407A 59 361,-2.4 361,-1.9 -2,-0.6 2,-0.2 -0.975 19.1 113.0-135.3 123.9 29.9 6.4 98.0 47 47 1 G E -CD 268 406A 14 221,-1.5 221,-2.5 -2,-0.5 2,-0.4 -0.848 56.9 -81.1-160.3-165.2 33.1 5.7 99.9 48 48 1 A E -CD 267 405A 21 357,-2.0 357,-1.8 -2,-0.2 2,-0.5 -0.964 24.3-148.9-123.3 139.5 35.9 3.3 100.6 49 49 1 L E -CD 266 404A 3 217,-3.4 217,-2.1 -2,-0.4 2,-0.3 -0.939 20.8-179.0-105.1 125.0 36.0 0.5 103.0 50 50 1 R E -CD 265 403A 62 353,-2.7 353,-2.7 -2,-0.5 2,-0.2 -0.934 17.4-148.8-122.7 144.9 39.4 -0.4 104.6 51 51 1 L E - D 0 402A 12 213,-0.9 351,-0.3 -2,-0.3 213,-0.2 -0.634 42.5 -89.1-101.3 163.2 40.4 -3.1 107.1 52 52 1 S - 0 0 3 349,-2.5 212,-0.2 -2,-0.2 -1,-0.1 -0.423 66.3 -76.6 -68.8 158.9 43.3 -2.4 109.7 53 53 1 P - 0 0 56 0, 0.0 342,-4.5 0, 0.0 2,-0.2 -0.275 56.7-132.6 -55.7 134.2 46.6 -3.4 108.2 54 54 1 L B -I 394 0D 11 208,-1.4 340,-0.2 340,-0.3 208,-0.1 -0.603 9.4-121.1 -96.6 159.6 46.9 -7.1 108.3 55 55 1 R S S+ 0 0 74 338,-2.1 2,-0.2 -2,-0.2 205,-0.1 0.704 91.8 9.0 -67.0 -22.6 49.9 -9.1 109.5 56 56 1 R S S- 0 0 87 311,-0.4 206,-2.8 337,-0.3 -2,-0.1 -0.536 103.8 -55.1-138.0-157.0 50.5 -11.1 106.3 57 57 1 G S S- 0 0 15 204,-0.3 -1,-0.2 -2,-0.2 205,-0.1 -0.345 70.9 -74.6 -81.6 167.5 49.1 -10.9 102.7 58 58 1 L + 0 0 32 1,-0.2 -1,-0.1 203,-0.1 3,-0.1 -0.336 53.9 160.6 -60.5 141.0 45.3 -11.1 101.8 59 59 1 A + 0 0 33 1,-0.3 560,-1.9 560,-0.1 2,-0.4 0.459 63.7 19.7-129.6 -43.3 43.9 -14.6 102.1 60 60 1 I B S-j 619 0E 32 558,-0.2 -1,-0.3 560,-0.1 560,-0.2 -0.978 70.1-126.8-137.1 130.2 40.1 -14.1 102.4 61 61 1 D - 0 0 5 558,-3.0 2,-0.3 -2,-0.4 184,-0.2 -0.392 24.3-136.1 -71.8 146.6 37.7 -11.3 101.5 62 62 1 S E -G 244 0C 2 182,-0.9 182,-2.9 229,-0.1 2,-0.4 -0.642 17.6-125.0 -95.4 159.2 35.4 -10.0 104.2 63 63 1 T E -GH 243 290C 7 227,-3.2 227,-2.5 -2,-0.3 2,-0.4 -0.839 20.7-155.5-104.1 143.5 31.7 -9.4 103.3 64 64 1 V E -GH 242 289C 0 178,-4.3 178,-1.7 -2,-0.4 2,-0.5 -0.965 6.9-168.6-124.6 133.9 30.1 -6.0 104.0 65 65 1 D E -GH 241 288C 2 223,-2.4 223,-2.0 -2,-0.4 2,-0.5 -0.976 1.9-170.8-120.2 132.0 26.4 -5.2 104.5 66 66 1 I E -GH 240 287C 2 174,-3.0 174,-2.4 -2,-0.5 2,-0.4 -0.984 11.1-170.1-123.1 131.3 25.0 -1.6 104.5 67 67 1 F E -GH 239 286C 0 219,-3.1 219,-2.7 -2,-0.5 2,-0.5 -0.971 16.7-163.0-125.9 144.1 21.5 -1.1 105.6 68 68 1 T E +GH 238 285C 0 170,-2.1 169,-2.6 -2,-0.4 170,-1.3 -0.984 18.9 177.3-125.4 117.4 19.0 1.8 105.6 69 69 1 F E -GH 236 284C 0 215,-3.2 215,-2.4 -2,-0.5 2,-0.4 -0.811 21.6-140.7-116.3 158.6 15.9 1.6 107.8 70 70 1 Y E -GH 235 283C 0 165,-2.3 165,-2.2 -2,-0.3 213,-0.2 -0.960 15.7-173.9-118.6 131.0 13.1 4.0 108.5 71 71 1 V E - H 0 282C 3 211,-2.4 211,-1.7 -2,-0.4 2,-0.1 -0.952 16.7-143.6-129.8 110.4 11.7 4.2 112.0 72 72 1 P E >> - H 0 281C 0 0, 0.0 4,-0.7 0, 0.0 3,-0.5 -0.490 18.1-127.7 -68.5 145.9 8.7 6.4 112.5 73 73 1 H H 3> S+ 0 0 19 207,-2.3 4,-3.0 1,-0.2 3,-0.5 0.780 108.6 63.5 -62.8 -31.1 8.7 8.3 115.9 74 74 1 R H 3> S+ 0 0 48 206,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.872 96.7 59.1 -57.1 -40.4 5.2 6.9 116.7 75 75 1 H H <4 S+ 0 0 10 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.836 115.5 35.1 -57.8 -35.2 6.9 3.6 116.7 76 76 1 V H < S+ 0 0 13 -4,-0.7 -2,-0.3 -3,-0.5 -1,-0.2 0.870 129.8 27.1 -93.7 -35.7 9.2 4.9 119.4 77 77 1 Y H >X S- 0 0 13 -4,-3.0 3,-1.6 1,-0.2 4,-0.5 0.391 85.3-175.3-106.9 -2.0 7.1 7.2 121.6 78 78 1 G H >X + 0 0 30 -4,-2.5 4,-1.6 -5,-0.4 3,-1.4 -0.064 69.4 4.1 48.7-140.7 3.8 5.6 120.9 79 79 1 E H 3> S+ 0 0 143 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.816 129.8 61.7 -42.3 -40.9 0.8 7.3 122.4 80 80 1 Q H <> S+ 0 0 88 -3,-1.6 4,-1.9 1,-0.2 -1,-0.3 0.850 103.7 48.1 -61.0 -39.1 3.1 10.1 123.7 81 81 1 W H < S+ 0 0 73 -4,-3.8 3,-0.9 1,-0.2 -2,-0.2 0.806 91.3 179.0 -53.6 -32.5 -1.1 19.2 121.3 88 88 1 G G >< + 0 0 36 -4,-2.2 3,-3.2 -5,-0.3 -1,-0.2 -0.344 55.2 12.0 68.8-140.6 1.1 21.0 118.8 89 89 1 V G 3 S+ 0 0 136 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.787 134.3 42.1 -45.5 -38.9 3.0 24.0 120.0 90 90 1 N G < S+ 0 0 145 -3,-0.9 -1,-0.3 -6,-0.1 -2,-0.2 0.198 81.4 136.3 -99.6 22.5 2.5 23.5 123.6 91 91 1 A < - 0 0 15 -3,-3.2 -7,-0.1 -7,-0.2 3,-0.1 -0.288 68.3-100.5 -59.1 151.9 3.1 19.8 123.5 92 92 1 T - 0 0 100 1,-0.1 -1,-0.1 0, 0.0 -5,-0.1 -0.660 50.6 -98.6 -71.5 135.7 5.3 18.6 126.5 93 93 1 P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.228 45.7 -94.7 -60.1 147.8 8.8 18.1 125.1 94 94 1 L - 0 0 52 1,-0.1 -13,-0.0 -3,-0.1 -17,-0.0 -0.277 43.6 -95.9 -67.6 144.6 9.9 14.6 124.2 95 95 1 P - 0 0 41 0, 0.0 26,-1.4 0, 0.0 2,-0.5 -0.171 31.1-147.7 -60.0 148.3 11.8 12.3 126.6 96 96 1 T E -K 120 0F 65 24,-0.2 0, 0.0 25,-0.1 0, 0.0 -0.935 9.4-139.5-124.5 108.3 15.6 12.0 126.4 97 97 1 V E -K 119 0F 11 22,-0.5 22,-1.6 -2,-0.5 2,-0.4 -0.083 25.4-108.7 -60.9 156.4 17.5 8.7 127.3 98 98 1 N E -K 118 0F 62 20,-0.2 51,-2.8 48,-0.1 20,-0.2 -0.839 25.8-166.0-105.3 132.9 20.9 8.6 129.3 99 99 1 T - 0 0 9 18,-2.2 2,-0.3 -2,-0.4 7,-0.1 -0.447 29.1-100.2-102.4 166.6 24.4 7.9 128.2 100 100 1 T - 0 0 41 5,-0.3 2,-3.2 -2,-0.2 5,-0.2 -0.749 47.5 -98.3 -86.1 142.6 27.6 7.1 130.2 101 101 1 G S S+ 0 0 49 -2,-0.3 2,-0.4 3,-0.1 -1,-0.1 -0.240 84.7 103.5 -57.6 54.8 30.0 10.0 130.6 102 102 1 Y S > S- 0 0 143 -2,-3.2 3,-1.0 1,-0.1 11,-0.2 -0.965 74.2-122.3-136.5 157.7 32.5 9.2 127.8 103 103 1 I T 3 S+ 0 0 114 -2,-0.4 10,-1.6 1,-0.3 3,-0.4 0.905 112.5 37.7 -61.8 -45.3 33.1 10.6 124.3 104 104 1 D T > S+ 0 0 56 1,-0.2 3,-1.1 8,-0.1 -1,-0.3 0.297 83.8 101.0 -92.9 14.0 32.5 7.2 122.6 105 105 1 H T < S+ 0 0 14 -3,-1.0 -5,-0.3 -5,-0.2 -1,-0.2 0.339 89.7 38.4 -78.7 12.6 29.8 5.8 124.7 106 106 1 A T > >S+ 0 0 0 -3,-0.4 3,-2.0 5,-0.4 5,-0.7 0.090 82.1 111.2-136.3 11.6 26.9 6.7 122.1 107 107 1 A G X 5 + 0 0 25 -3,-1.1 3,-1.9 1,-0.3 -78,-0.2 0.760 62.6 70.5 -60.2 -30.4 29.1 5.8 119.2 108 108 1 F G 3 5S+ 0 0 0 48,-2.1 -79,-1.8 1,-0.3 -1,-0.3 0.759 100.0 50.4 -62.1 -21.4 26.9 2.8 118.4 109 109 1 L G < 5S- 0 0 0 -3,-2.0 -1,-0.3 47,-0.3 -2,-0.2 0.176 122.2-110.5-100.5 15.2 24.3 5.4 117.4 110 110 1 G T < 5S+ 0 0 39 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.925 80.8 108.6 54.6 55.6 26.8 7.1 115.2 111 111 1 T S > -K 96 0F 59 0, 0.0 3,-1.1 0, 0.0 4,-1.0 -0.309 40.4-132.1 -56.6 128.5 16.7 11.8 122.0 121 121 1 K H 3> S+ 0 0 63 -26,-1.4 4,-3.1 1,-0.3 5,-0.3 0.818 103.0 65.8 -55.1 -31.8 15.2 8.5 123.0 122 122 1 H H 3> S+ 0 0 38 -27,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.874 97.5 55.6 -64.2 -33.5 14.1 7.9 119.4 123 123 1 L H <> S+ 0 0 20 -3,-1.1 4,-0.8 2,-0.2 -1,-0.2 0.885 114.9 36.7 -66.2 -38.1 17.8 7.6 118.4 124 124 1 F H X S+ 0 0 1 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.917 119.7 47.3 -78.8 -47.7 18.5 4.9 121.0 125 125 1 Q H X S+ 0 0 44 -4,-3.1 4,-2.3 1,-0.2 -3,-0.2 0.860 105.4 57.6 -63.8 -38.8 15.1 3.0 120.7 126 126 1 G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.905 106.8 51.7 -58.2 -44.1 15.1 2.9 116.9 127 127 1 Y H X S+ 0 0 0 -4,-0.8 4,-2.5 -5,-0.2 -2,-0.2 0.913 107.9 49.7 -60.5 -48.3 18.5 1.1 117.1 128 128 1 L H X S+ 0 0 2 -4,-1.7 4,-3.2 1,-0.2 15,-0.3 0.878 111.3 50.7 -56.9 -43.9 17.1 -1.5 119.5 129 129 1 N H X S+ 0 0 23 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.878 110.2 48.8 -64.0 -38.8 14.0 -2.1 117.2 130 130 1 I H X>S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 5,-0.5 0.911 115.2 45.2 -65.8 -46.8 16.3 -2.6 114.2 131 131 1 Y H >X>S+ 0 0 8 -4,-2.5 5,-2.1 1,-0.2 4,-2.0 0.948 113.4 47.3 -61.9 -52.2 18.4 -5.0 116.2 132 132 1 N H 3<5S+ 0 0 12 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.734 116.2 44.4 -64.8 -26.7 15.7 -7.0 117.7 133 133 1 N H 3<5S+ 0 0 22 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.571 131.6 11.1 -96.9 -14.1 13.7 -7.4 114.4 134 134 1 Y H <<5S+ 0 0 13 -4,-1.3 505,-2.2 -3,-0.6 -3,-0.2 0.498 125.9 40.8-135.6 -20.0 16.4 -8.3 111.9 135 135 1 F T < - 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