==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-11 3UQS . COMPND 2 MOLECULE: RNA-DEPENDENT RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MURINE NOROVIRUS; . AUTHOR M.MILANI,E.MASTRANGELO,M.BOLOGNESI . 1435 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 912 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 11.2 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.3 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 . 0 0.0 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 . 63 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 482 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 0 3 3 0 8 4 0 8 4 2 3 2 0 2 0 3 1 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 3 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 . 10 9 6 9 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 6 0 6 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 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 2 A L 0 0 219 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.6 -4.1 -32.5 60.8 2 3 A P - 0 0 103 0, 0.0 13,-0.0 0, 0.0 0, 0.0 -0.637 360.0-106.1 -79.0 144.3 -0.8 -33.4 62.4 3 4 A R - 0 0 168 -2,-0.3 12,-0.1 1,-0.1 10,-0.0 -0.342 36.2-114.6 -63.9 142.4 1.6 -35.2 60.1 4 5 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.365 34.7-165.5 -73.3 167.4 2.0 -38.9 60.8 5 6 A S + 0 0 101 2,-0.1 2,-0.3 7,-0.0 9,-0.1 -0.865 31.7 79.1-143.3 174.8 5.3 -40.3 62.0 6 7 A G S S- 0 0 43 7,-0.3 7,-2.3 -2,-0.3 2,-0.3 -0.847 71.1 -57.6 121.3-162.2 7.1 -43.6 62.4 7 8 A T E -A 12 0A 107 -2,-0.3 2,-0.4 5,-0.2 -2,-0.1 -0.946 31.3-172.1-128.6 137.8 8.9 -46.1 60.3 8 9 A Y E > S-A 11 0A 19 3,-2.8 3,-1.5 -2,-0.3 -2,-0.0 -0.955 82.4 -20.8-135.7 116.2 7.8 -48.1 57.2 9 10 A A T 3 S- 0 0 14 -2,-0.4 61,-0.2 1,-0.3 -1,-0.0 0.847 129.0 -51.3 48.9 40.3 10.2 -50.8 55.9 10 11 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.3 59,-0.1 -3,-0.0 0.508 118.5 109.5 84.5 4.6 13.0 -49.0 57.8 11 12 A L E < S-A 8 0A 10 -3,-1.5 -3,-2.8 282,-0.0 -1,-0.3 -0.872 73.4-101.1-118.9 148.1 12.3 -45.6 56.3 12 13 A P E -A 7 0A 61 0, 0.0 280,-2.3 0, 0.0 2,-0.3 -0.433 28.4-129.2 -72.4 137.2 10.8 -42.5 57.9 13 14 A I E +B 291 0B 21 -7,-2.3 -7,-0.3 278,-0.2 278,-0.2 -0.674 29.6 171.4 -78.7 133.9 7.2 -41.5 57.4 14 15 A A E - 0 0 17 276,-3.0 2,-0.3 1,-0.4 277,-0.2 0.624 57.9 -16.6-115.7 -28.2 6.7 -37.9 56.3 15 16 A D E S-B 290 0B 45 275,-1.8 275,-2.8 -12,-0.1 -1,-0.4 -0.968 76.7 -71.2-162.3 172.5 3.0 -37.7 55.5 16 17 A Y E -B 289 0B 123 -2,-0.3 273,-0.3 273,-0.3 2,-0.2 -0.534 53.7-123.2 -69.2 148.3 -0.3 -39.4 54.7 17 18 A G - 0 0 15 271,-2.3 273,-0.1 -2,-0.2 -1,-0.1 -0.508 21.4-168.6 -94.9 160.3 -0.3 -41.1 51.3 18 19 A D + 0 0 89 -2,-0.2 270,-0.1 271,-0.1 -1,-0.1 0.308 44.8 128.2-123.3 1.0 -2.8 -40.6 48.4 19 20 A A - 0 0 16 268,-0.4 3,-0.1 270,-0.1 -2,-0.1 -0.281 61.0-118.7 -63.1 143.2 -1.7 -43.5 46.2 20 21 A P - 0 0 70 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.380 49.4 -72.0 -77.1 164.3 -4.6 -45.8 45.0 21 22 A P - 0 0 124 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.128 58.9 -92.1 -56.8 151.5 -4.3 -49.5 46.2 22 23 A L - 0 0 33 1,-0.1 36,-0.1 264,-0.1 37,-0.1 -0.418 52.0 -99.1 -61.4 137.0 -1.7 -51.8 44.5 23 24 A S - 0 0 66 1,-0.1 -1,-0.1 141,-0.1 141,-0.1 -0.295 28.6-168.0 -59.3 139.1 -3.1 -53.6 41.5 24 25 A T + 0 0 38 -3,-0.1 2,-0.2 23,-0.0 -1,-0.1 0.247 63.2 85.1-108.4 10.6 -4.2 -57.2 42.0 25 26 A K - 0 0 98 399,-0.0 2,-0.3 25,-0.0 398,-0.2 -0.701 61.4-146.7-114.7 162.9 -4.5 -57.8 38.3 26 27 A T E -F 422 0C 0 396,-2.8 396,-2.5 -2,-0.2 398,-0.1 -0.928 14.0-146.5-123.3 154.6 -2.3 -58.8 35.4 27 28 A M E S+ 0 0 53 -2,-0.3 392,-2.3 394,-0.2 2,-0.4 0.352 71.6 103.8 -92.7 -1.6 -2.3 -57.9 31.7 28 29 A F E -F 418 0C 19 390,-0.2 2,-0.3 394,-0.2 390,-0.2 -0.730 46.2-179.8 -92.5 135.8 -1.0 -61.3 30.7 29 30 A W E -F 417 0C 22 388,-2.8 388,-2.6 -2,-0.4 399,-0.2 -0.971 32.2-109.9-128.0 142.7 -3.3 -64.0 29.2 30 31 A R E -Fg 416 428C 8 397,-1.6 399,-0.8 395,-1.0 386,-0.2 -0.431 16.9-146.1 -63.1 142.7 -2.5 -67.5 28.1 31 32 A T S S+ 0 0 45 384,-1.8 -1,-0.1 397,-0.2 385,-0.1 0.630 84.4 26.5 -83.6 -14.3 -2.6 -67.9 24.3 32 33 A S S S- 0 0 35 383,-0.4 -1,-0.1 2,-0.2 -2,-0.0 -0.981 72.3-129.2-147.4 148.6 -3.9 -71.5 24.8 33 34 A P S S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.572 73.3 115.5 -78.1 -8.2 -5.9 -73.5 27.4 34 35 A E S S- 0 0 128 1,-0.1 -2,-0.2 0, 0.0 -3,-0.1 -0.233 79.5 -95.5 -55.3 145.6 -3.3 -76.3 27.4 35 36 A K - 0 0 162 1,-0.1 -1,-0.1 0, 0.0 391,-0.0 -0.334 45.3-102.2 -64.2 148.4 -1.3 -76.7 30.7 36 37 A L - 0 0 35 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.429 37.8-102.4 -70.4 144.0 2.0 -74.9 30.9 37 38 A P > - 0 0 73 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.279 55.7 -78.0 -57.3 153.8 5.3 -76.9 30.5 38 39 A P T 3 S+ 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.237 117.9 14.6 -50.8 138.4 7.1 -77.7 33.8 39 40 A G T 3 S+ 0 0 63 1,-0.2 133,-0.1 -3,-0.1 2,-0.0 0.525 88.7 161.5 70.1 6.9 9.1 -74.7 35.2 40 41 A A < - 0 0 17 -3,-1.7 -1,-0.2 130,-0.1 129,-0.1 -0.298 42.5-112.4 -61.4 139.3 7.3 -72.1 32.9 41 42 A W - 0 0 95 129,-0.1 129,-0.2 127,-0.1 -1,-0.1 -0.336 38.7-176.5 -61.6 152.5 7.4 -68.4 33.8 42 43 A E E -H 169 0D 19 127,-1.8 127,-2.9 125,-0.1 3,-0.1 -0.912 37.2 -69.6-144.8 165.3 4.1 -66.9 34.8 43 44 A P E -H 168 0D 0 0, 0.0 125,-0.2 0, 0.0 3,-0.1 -0.343 65.0 -91.7 -60.0 144.2 2.9 -63.4 35.8 44 45 A A - 0 0 0 123,-2.3 136,-0.1 1,-0.2 130,-0.1 -0.005 61.7 -64.6 -53.8 158.7 4.2 -62.1 39.1 45 46 A Y - 0 0 0 134,-0.4 -1,-0.2 128,-0.3 129,-0.0 -0.101 39.5-156.4 -52.2 137.2 2.2 -62.6 42.3 46 47 A L - 0 0 0 1,-0.3 3,-0.4 -3,-0.1 2,-0.2 0.375 36.9-118.0-104.6 7.2 -1.1 -60.8 42.4 47 48 A G > - 0 0 1 1,-0.2 3,-2.0 10,-0.1 -1,-0.3 -0.579 66.0 -16.7 95.8-157.7 -1.6 -60.6 46.2 48 49 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.2 -2,-0.2 9,-0.1 0.738 133.9 53.0 -61.2 -27.2 -4.3 -62.0 48.6 49 50 A K T 3 S+ 0 0 126 -3,-0.4 2,-0.5 5,-0.1 -1,-0.3 0.361 76.0 123.5 -90.8 2.9 -6.7 -62.8 45.8 50 51 A D X - 0 0 6 -3,-2.0 3,-0.5 1,-0.2 5,-0.1 -0.540 49.8-157.8 -69.2 117.9 -4.2 -64.8 43.7 51 52 A E T 3 S+ 0 0 136 -2,-0.5 -1,-0.2 372,-0.3 3,-0.1 0.520 83.0 67.9 -74.6 -2.5 -5.7 -68.2 43.1 52 53 A R T 3 S- 0 0 32 1,-0.3 2,-0.3 122,-0.0 -1,-0.2 0.824 112.4 -3.5 -89.7 -34.1 -2.3 -69.8 42.5 53 54 A V < - 0 0 36 -3,-0.5 2,-0.7 -6,-0.2 -1,-0.3 -0.972 63.8-116.5-148.9 157.4 -0.7 -69.5 46.0 54 55 A D + 0 0 164 -2,-0.3 -6,-0.1 -3,-0.1 -3,-0.1 -0.909 55.6 149.5 -93.2 116.7 -1.5 -68.2 49.4 55 56 A G - 0 0 34 -2,-0.7 3,-0.1 1,-0.2 120,-0.0 -0.664 45.5 -65.5-133.4-167.9 1.1 -65.5 50.0 56 57 A P - 0 0 46 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.037 62.7 -79.7 -74.6 179.8 1.6 -62.2 51.9 57 58 A S > - 0 0 53 -10,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.408 37.9-116.4 -73.9 158.6 -0.2 -58.9 51.2 58 59 A L H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.842 118.2 61.3 -64.7 -29.4 1.1 -56.9 48.2 59 60 A Q H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 104.7 46.2 -61.0 -37.7 1.9 -54.2 50.8 60 61 A Q H > S+ 0 0 61 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.878 110.0 53.1 -72.2 -37.1 4.3 -56.7 52.5 61 62 A V H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 119,-0.2 0.933 111.3 48.0 -62.8 -41.8 5.8 -57.6 49.2 62 63 A M H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 3,-0.3 0.905 107.5 53.7 -63.2 -45.2 6.4 -53.9 48.6 63 64 A R H >X S+ 0 0 74 -4,-2.3 4,-1.3 1,-0.2 3,-0.6 0.905 105.8 55.8 -56.0 -41.2 7.9 -53.5 52.1 64 65 A D H 3< S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 106.1 50.7 -56.5 -39.5 10.3 -56.3 51.2 65 66 A Q H 3< S+ 0 0 51 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.725 108.6 51.9 -70.4 -26.1 11.4 -54.3 48.1 66 67 A L H XX S+ 0 0 0 -4,-1.1 3,-1.8 -3,-0.6 4,-0.6 0.731 85.3 85.2 -87.6 -23.0 12.1 -51.2 50.0 67 68 A K G >< S+ 0 0 86 -4,-1.3 3,-1.9 1,-0.3 4,-0.5 0.876 83.9 57.2 -47.1 -50.1 14.4 -52.7 52.7 68 69 A P G >4 S+ 0 0 26 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.752 96.6 65.5 -56.4 -23.4 17.6 -52.4 50.6 69 70 A Y G <4 S+ 0 0 16 -3,-1.8 226,-0.3 1,-0.2 -2,-0.2 0.718 101.4 49.1 -70.3 -21.2 17.0 -48.6 50.4 70 71 A S G << S+ 0 0 56 -3,-1.9 -1,-0.2 -4,-0.6 -3,-0.1 0.499 90.5 106.0 -94.2 -5.3 17.5 -48.3 54.1 71 72 A E S < S- 0 0 121 -3,-0.8 2,-0.1 -4,-0.5 224,-0.0 -0.294 84.7 -90.2 -67.7 156.8 20.8 -50.3 54.1 72 73 A P - 0 0 117 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.412 45.5-115.3 -64.7 147.3 24.1 -48.5 54.5 73 74 A R - 0 0 52 1,-0.1 292,-0.2 -3,-0.1 3,-0.1 -0.372 24.9-114.6 -74.6 158.8 25.8 -47.4 51.2 74 75 A G - 0 0 20 290,-0.6 290,-0.3 174,-0.4 2,-0.2 -0.088 49.7 -74.0 -71.8-170.5 29.1 -48.7 49.9 75 76 A L - 0 0 111 288,-3.0 -1,-0.2 1,-0.1 175,-0.1 -0.551 41.1-112.5 -90.9 153.4 32.1 -46.5 49.7 76 77 A L - 0 0 73 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.501 41.4-100.8 -70.1 147.0 32.7 -43.8 47.2 77 78 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 242,-0.0 -0.360 61.9 -70.0 -57.8 158.4 35.6 -44.4 44.8 78 79 A P >> - 0 0 61 0, 0.0 4,-2.7 0, 0.0 3,-0.9 -0.277 49.7-118.6 -58.3 136.0 38.9 -42.5 45.9 79 80 A Q H 3> S+ 0 0 106 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.806 109.3 48.5 -50.3 -44.4 38.4 -38.8 45.4 80 81 A E H 3> S+ 0 0 174 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.834 114.4 46.7 -70.0 -32.8 41.2 -38.3 42.8 81 82 A I H <> S+ 0 0 37 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.936 112.3 50.8 -67.0 -49.2 40.0 -41.2 40.7 82 83 A L H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.919 112.3 46.5 -55.1 -49.4 36.4 -40.1 40.9 83 84 A D H X S+ 0 0 59 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.880 114.4 46.4 -62.7 -41.5 37.3 -36.5 39.7 84 85 A A H X S+ 0 0 41 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.881 113.6 49.5 -69.7 -37.9 39.5 -37.7 36.9 85 86 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.965 112.4 46.6 -64.6 -50.5 36.9 -40.2 35.8 86 87 A C H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.883 113.0 50.3 -59.7 -40.9 34.1 -37.6 35.8 87 88 A D H X S+ 0 0 105 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.878 110.9 49.1 -60.3 -42.8 36.3 -35.1 33.9 88 89 A A H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.860 112.5 47.1 -69.6 -37.0 37.1 -37.7 31.3 89 90 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 113.4 48.1 -70.3 -45.6 33.5 -38.7 30.8 90 91 A E H X S+ 0 0 28 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.932 111.7 50.5 -59.8 -48.7 32.4 -35.1 30.5 91 92 A N H X S+ 0 0 66 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.885 109.0 51.6 -56.4 -41.2 35.2 -34.3 28.1 92 93 A R H X S+ 0 0 19 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.923 112.6 45.3 -63.1 -45.4 34.2 -37.3 25.9 93 94 A L H >X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 3,-0.7 0.911 110.3 53.8 -63.2 -46.0 30.6 -36.1 25.8 94 95 A E H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.2 48.2 -51.1 -40.2 31.7 -32.5 25.1 95 96 A N H 3< S+ 0 0 31 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.686 123.6 29.5 -77.1 -19.2 33.7 -33.8 22.1 96 97 A T H << S+ 0 0 2 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.744 94.8 91.6-112.7 -30.9 30.9 -36.0 20.7 97 98 A L < - 0 0 14 -4,-3.2 108,-0.1 -5,-0.1 107,-0.1 -0.515 68.2-131.0 -80.3 131.9 27.5 -34.4 21.5 98 99 A E - 0 0 70 -2,-0.3 109,-0.1 106,-0.2 -1,-0.1 -0.671 33.6-108.9 -75.4 126.4 25.8 -32.0 19.1 99 100 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.294 42.6-145.6 -54.5 138.9 24.6 -28.8 21.0 100 101 A Q - 0 0 51 -3,-0.0 3,-0.1 3,-0.0 101,-0.1 -0.724 10.8-113.1-112.7 156.9 20.8 -28.8 21.2 101 102 A K - 0 0 180 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.625 49.5 -94.8 -75.8 148.4 18.0 -26.3 21.2 102 103 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.265 42.1-111.4 -57.8 150.9 16.1 -25.9 24.5 103 104 A W - 0 0 23 93,-0.7 2,-0.1 92,-0.1 96,-0.0 -0.722 29.5-136.2 -85.8 138.7 12.9 -28.0 24.7 104 105 A T > - 0 0 75 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.382 24.8-107.6 -84.2 169.8 9.6 -26.2 24.7 105 106 A F H > S+ 0 0 58 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 122.9 53.8 -61.6 -40.8 6.7 -26.9 27.0 106 107 A K H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 109.5 44.8 -63.9 -43.7 5.0 -28.3 24.0 107 108 A K H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 113.2 52.2 -67.4 -40.1 7.8 -30.7 23.1 108 109 A A H X S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.936 112.5 45.2 -57.8 -49.3 8.0 -31.7 26.8 109 110 A C H >< S+ 0 0 3 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.886 112.9 49.3 -61.5 -45.2 4.3 -32.5 26.9 110 111 A E H 3< S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 103.3 61.8 -62.0 -37.7 4.3 -34.4 23.6 111 112 A S H 3< S+ 0 0 58 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.663 84.4 103.5 -64.8 -18.9 7.3 -36.5 24.6 112 113 A L S << S- 0 0 15 -3,-0.8 2,-0.6 -4,-0.5 -3,-0.0 -0.396 82.0-113.2 -73.9 141.0 5.3 -38.0 27.6 113 114 A D > - 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