==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-AUG-04 1W55 . COMPND 2 MOLECULE: ISPD/ISPF BIFUNCTIONAL ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR M.GABRIELSEN,C.S.BOND,W.N.HUNTER . 369 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 14.1 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 2 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 3 3 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 1 0 0 0 1 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 S 0 0 126 0, 0.0 2,-0.1 0, 0.0 87,-0.1 0.000 360.0 360.0 360.0-157.4 96.6 16.9 -33.3 2 3 A E - 0 0 81 44,-0.0 88,-2.2 45,-0.0 2,-0.4 -0.460 360.0-146.8-102.2 164.5 93.9 18.1 -30.8 3 4 A M E -a 90 0A 1 42,-0.2 44,-2.2 86,-0.2 45,-0.3 -0.951 4.1-162.0-130.4 137.9 92.2 21.4 -29.9 4 5 A S E -a 91 0A 1 86,-1.7 88,-3.1 -2,-0.4 2,-0.4 -0.647 19.2-127.2-108.2 171.5 90.8 22.9 -26.7 5 6 A L E -ab 92 49A 0 43,-2.6 45,-3.2 -2,-0.2 2,-0.5 -0.987 14.9-169.4-126.7 129.5 88.3 25.8 -26.4 6 7 A I E -ab 93 50A 0 86,-3.1 88,-2.1 -2,-0.4 2,-0.6 -0.980 8.1-162.6-114.7 117.7 88.5 29.0 -24.4 7 8 A M E -ab 94 51A 0 43,-3.6 45,-2.4 -2,-0.5 2,-0.8 -0.880 12.9-144.1 -96.5 123.8 85.3 31.0 -24.1 8 9 A L E +ab 95 52A 16 86,-3.2 88,-2.1 -2,-0.6 89,-0.4 -0.789 42.6 142.4 -94.5 110.1 86.0 34.6 -23.0 9 10 A A + 0 0 3 -2,-0.8 45,-0.5 43,-0.7 -1,-0.1 0.143 33.3 106.2-137.8 16.7 83.2 35.7 -20.7 10 11 A A + 0 0 27 43,-0.2 43,-0.1 44,-0.1 42,-0.1 -0.349 47.8 53.8 -95.2 178.1 84.8 37.9 -18.0 11 12 A G S S- 0 0 37 1,-0.1 2,-0.4 -2,-0.1 43,-0.2 0.155 70.8-109.2 79.7 160.6 84.7 41.6 -17.4 12 13 A N - 0 0 90 9,-0.0 2,-0.3 10,-0.0 -1,-0.1 -0.846 28.5-164.0-133.3 95.9 81.8 44.0 -17.1 13 14 A S > - 0 0 55 -2,-0.4 4,-0.7 1,-0.1 9,-0.2 -0.608 14.2-165.1 -80.1 135.8 81.3 46.4 -19.9 14 15 A T T 4 S+ 0 0 118 -2,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.483 76.5 89.7 -90.9 -9.0 79.0 49.4 -19.4 15 16 A R T 4 S+ 0 0 180 1,-0.2 179,-0.4 178,-0.1 -1,-0.1 0.894 106.4 17.2 -53.6 -44.9 79.0 49.9 -23.2 16 17 A F T 4 S+ 0 0 5 177,-0.2 178,-0.2 -3,-0.1 -1,-0.2 0.881 98.9 126.1 -85.9 -46.5 75.9 47.6 -23.4 17 18 A N < + 0 0 32 -4,-0.7 4,-0.1 2,-0.1 2,-0.1 0.240 23.2 164.8 -50.6 120.2 74.7 47.6 -19.9 18 19 A T S S- 0 0 51 2,-0.8 4,-0.1 276,-0.1 -2,-0.0 0.223 82.2 -67.3 -75.5-139.7 71.3 48.4 -18.9 19 20 A K S S+ 0 0 82 -2,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.754 123.3 86.4 -81.0 -22.8 71.2 47.1 -15.3 20 21 A V S S- 0 0 5 -4,-0.1 -2,-0.8 275,-0.1 2,-0.3 -0.586 80.3-130.3 -81.6 130.3 71.4 43.6 -16.9 21 22 A K > - 0 0 29 273,-2.0 3,-2.0 -2,-0.3 4,-0.2 -0.637 18.9-130.3 -74.0 132.9 74.8 42.1 -17.7 22 23 A K G > S+ 0 0 34 -2,-0.3 3,-1.1 1,-0.3 10,-0.3 0.770 103.4 63.5 -61.2 -27.3 74.9 40.7 -21.2 23 24 A Q G 3 S+ 0 0 11 1,-0.2 10,-2.1 9,-0.1 11,-0.4 0.703 104.4 49.5 -71.0 -16.7 76.2 37.3 -20.2 24 25 A F G < S+ 0 0 0 -3,-2.0 -1,-0.2 270,-0.3 -2,-0.2 0.251 75.8 122.0-108.6 8.4 73.1 36.7 -18.2 25 26 A L < - 0 0 1 -3,-1.1 7,-1.7 -4,-0.2 2,-0.5 -0.519 69.2-114.9 -59.9 139.1 70.4 37.6 -20.8 26 27 A R E -H 31 0B 6 339,-0.4 2,-0.5 270,-0.2 341,-0.2 -0.705 31.2-176.3 -89.3 127.9 68.2 34.5 -21.3 27 28 A L E > S-H 30 0B 1 3,-3.2 3,-1.9 -2,-0.5 2,-0.2 -0.971 75.1 -44.1-118.4 107.1 68.3 32.8 -24.6 28 29 A G B 3 S-i 205 0C 26 176,-1.3 178,-2.4 -2,-0.5 7,-0.0 -0.544 123.6 -28.5 61.1-130.9 65.7 30.1 -24.3 29 30 A N T 3 S+ 0 0 89 -2,-0.2 -1,-0.3 176,-0.2 -3,-0.0 0.554 124.5 87.4 -85.5 -10.2 66.4 28.5 -20.9 30 31 A D E < S-H 27 0B 33 -3,-1.9 -3,-3.2 1,-0.1 176,-0.1 -0.723 78.9-118.6-104.7 140.5 70.1 29.4 -20.9 31 32 A P E >> -H 26 0B 0 0, 0.0 4,-2.6 0, 0.0 3,-0.6 -0.371 42.8-106.2 -62.4 151.5 72.0 32.5 -19.9 32 33 A L H 3> S+ 0 0 0 -7,-1.7 4,-2.7 -10,-0.3 5,-0.2 0.840 117.9 53.6 -53.8 -42.6 73.8 33.9 -22.9 33 34 A W H 3> S+ 0 0 0 -10,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.864 112.6 44.5 -64.1 -37.6 77.3 32.7 -21.9 34 35 A L H <> S+ 0 0 3 -3,-0.6 4,-3.0 -11,-0.4 5,-0.2 0.917 111.7 52.6 -74.3 -43.1 76.1 29.2 -21.5 35 36 A Y H X S+ 0 0 65 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.933 112.2 45.5 -54.5 -49.5 74.1 29.3 -24.8 36 37 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.902 114.5 47.8 -62.5 -42.2 77.3 30.5 -26.7 37 38 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.922 111.5 50.0 -65.2 -45.3 79.5 27.9 -25.0 38 39 A K H X S+ 0 0 101 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.909 109.6 53.5 -57.8 -46.1 77.0 25.1 -25.7 39 40 A N H < S+ 0 0 39 -4,-2.3 4,-0.2 -5,-0.2 3,-0.2 0.935 114.6 37.9 -53.3 -56.0 76.8 26.2 -29.4 40 41 A L H >< S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 0.885 112.4 58.5 -66.5 -40.2 80.6 26.1 -30.0 41 42 A S H >< S+ 0 0 37 -4,-2.7 3,-0.9 1,-0.3 5,-0.3 0.817 98.2 61.3 -59.2 -32.9 81.1 23.0 -27.9 42 43 A S T 3< S+ 0 0 89 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.585 95.0 64.2 -69.9 -11.6 78.6 21.1 -30.1 43 44 A F T < S+ 0 0 22 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.687 112.5 8.8 -85.0 -19.7 80.9 21.6 -33.2 44 45 A Y S < S- 0 0 56 -3,-0.9 2,-1.9 -4,-0.4 -1,-0.2 -0.993 72.6-107.4-164.4 144.7 83.9 19.6 -32.0 45 46 A P - 0 0 102 0, 0.0 -42,-0.2 0, 0.0 -3,-0.1 -0.510 47.6-163.4 -81.2 72.1 85.1 17.2 -29.3 46 47 A F - 0 0 22 -2,-1.9 -42,-0.2 -5,-0.3 3,-0.1 -0.258 21.7-135.3 -58.7 141.0 87.4 19.7 -27.6 47 48 A K S S+ 0 0 115 -44,-2.2 2,-0.3 1,-0.2 -43,-0.2 0.826 88.4 1.2 -63.5 -36.3 90.0 18.2 -25.2 48 49 A K - 0 0 57 -45,-0.3 -43,-2.6 2,-0.0 2,-0.5 -0.982 64.0-148.7-151.8 147.2 89.1 20.9 -22.6 49 50 A I E -b 5 0A 23 -2,-0.3 18,-3.2 16,-0.2 2,-0.4 -0.983 17.7-172.9-123.5 119.5 86.7 23.7 -22.4 50 51 A V E -bc 6 67A 0 -45,-3.2 -43,-3.6 -2,-0.5 2,-0.5 -0.906 6.5-168.0-112.9 137.1 87.6 26.8 -20.4 51 52 A V E -bc 7 68A 0 16,-3.0 18,-2.1 -2,-0.4 2,-0.3 -0.988 14.3-144.3-122.5 123.1 85.4 29.8 -19.5 52 53 A T E +bc 8 69A 1 -45,-2.4 -43,-0.7 -2,-0.5 2,-0.3 -0.688 31.6 178.2 -83.7 142.5 86.8 33.0 -18.1 53 54 A S E - c 0 70A 0 16,-2.4 18,-2.0 -2,-0.3 -43,-0.2 -0.988 46.2-161.2-150.8 147.4 84.5 34.5 -15.6 54 55 A S S S+ 0 0 53 -45,-0.5 -44,-0.1 -2,-0.3 16,-0.1 0.267 103.7 45.1-103.4 1.9 83.9 37.4 -13.1 55 56 A N > + 0 0 39 1,-0.1 4,-2.5 2,-0.1 5,-0.2 -0.438 64.9 154.2-142.9 61.0 81.2 35.4 -11.4 56 57 A I H > S+ 0 0 31 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.892 72.2 54.6 -61.8 -45.1 82.6 31.8 -11.0 57 58 A T H > S+ 0 0 114 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.922 114.0 41.5 -55.1 -51.0 80.4 30.8 -8.0 58 59 A Y H >4 S+ 0 0 36 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.928 115.1 49.5 -63.9 -47.9 77.2 31.7 -9.9 59 60 A M H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 4,-0.4 0.833 101.8 62.5 -64.4 -35.3 78.3 30.2 -13.3 60 61 A K H >< S+ 0 0 128 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.727 92.3 67.0 -60.9 -23.7 79.3 26.9 -11.7 61 62 A K T << S+ 0 0 153 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.495 98.1 54.3 -73.4 -4.3 75.7 26.4 -10.6 62 63 A F T < S+ 0 0 64 -3,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.554 117.4 2.6-109.7 -15.5 74.7 26.1 -14.2 63 64 A T < - 0 0 22 -3,-0.6 -1,-0.3 -4,-0.4 3,-0.0 -0.982 36.5-155.4-165.9 159.5 77.0 23.3 -15.4 64 65 A K S S+ 0 0 202 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.246 80.8 87.6-116.5 6.1 79.7 20.8 -14.5 65 66 A N S S+ 0 0 122 2,-0.0 2,-0.3 0, 0.0 -16,-0.2 0.539 80.2 54.0 -88.3 -11.0 81.1 20.5 -18.0 66 67 A Y S S- 0 0 23 -18,-0.1 2,-0.5 -6,-0.1 -16,-0.2 -0.848 73.8-118.5-126.7 160.0 83.6 23.3 -18.1 67 68 A E E -c 50 0A 79 -18,-3.2 -16,-3.0 -2,-0.3 2,-0.4 -0.851 31.4-153.8 -93.2 130.5 86.6 24.6 -16.3 68 69 A F E -c 51 0A 29 -2,-0.5 2,-0.3 -18,-0.2 -16,-0.2 -0.847 13.1-177.9-104.8 142.7 86.1 28.1 -15.0 69 70 A I E -c 52 0A 34 -18,-2.1 -16,-2.4 -2,-0.4 2,-0.1 -0.998 33.7-104.0-140.2 141.5 88.9 30.6 -14.3 70 71 A E E -c 53 0A 94 -2,-0.3 -16,-0.2 -18,-0.2 -60,-0.1 -0.397 42.1-122.9 -63.7 133.0 88.8 34.1 -12.9 71 72 A G - 0 0 12 -18,-2.0 2,-0.2 1,-0.1 -1,-0.1 -0.111 19.9-133.2 -68.6 172.8 89.2 36.8 -15.6 72 73 A G - 0 0 20 2,-0.5 -1,-0.1 3,-0.1 6,-0.1 -0.394 37.9 -81.2-110.5-164.6 91.9 39.4 -15.6 73 74 A D S S+ 0 0 155 -2,-0.2 2,-0.3 -62,-0.1 3,-0.1 0.682 110.7 25.7 -75.3 -22.4 91.8 43.2 -16.2 74 75 A T S > S- 0 0 49 1,-0.1 4,-2.7 -63,-0.0 -2,-0.5 -0.928 86.4-104.1-134.8 163.8 91.8 42.8 -20.0 75 76 A R H > S+ 0 0 54 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.928 122.6 50.9 -44.2 -52.9 90.7 40.3 -22.6 76 77 A A H > S+ 0 0 2 89,-0.4 4,-2.7 87,-0.4 -1,-0.2 0.846 109.7 49.6 -64.0 -36.0 94.3 39.4 -23.2 77 78 A E H > S+ 0 0 61 86,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.918 111.1 48.0 -68.2 -44.1 94.9 38.9 -19.5 78 79 A S H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.939 115.0 48.2 -56.9 -44.7 91.9 36.6 -19.1 79 80 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.918 109.2 51.6 -60.1 -48.7 93.1 34.7 -22.1 80 81 A K H X S+ 0 0 70 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.898 111.4 47.7 -58.2 -44.0 96.7 34.4 -20.8 81 82 A K H >< S+ 0 0 71 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.917 112.2 49.0 -64.2 -43.2 95.4 33.0 -17.5 82 83 A A H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.2 0.829 101.7 64.1 -67.3 -32.7 93.1 30.5 -19.2 83 84 A L H >< S+ 0 0 1 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.801 87.0 69.9 -60.8 -29.6 95.9 29.3 -21.6 84 85 A E T << S+ 0 0 138 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.642 96.1 56.5 -63.9 -11.4 97.9 28.0 -18.6 85 86 A L T < S+ 0 0 48 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.3 0.545 93.9 86.8 -91.2 -10.5 95.1 25.4 -18.4 86 87 A I < + 0 0 3 -3,-2.1 5,-0.1 -4,-0.2 -80,-0.0 -0.777 34.9 159.7-102.0 131.9 95.7 24.2 -22.1 87 88 A D + 0 0 121 -2,-0.4 2,-0.2 3,-0.1 -1,-0.1 0.293 45.0 107.5-127.9 6.7 98.2 21.6 -23.2 88 89 A S S S- 0 0 7 2,-0.2 64,-0.2 1,-0.1 -85,-0.1 -0.513 79.0-115.5 -80.0 155.0 96.8 20.7 -26.6 89 90 A E S S+ 0 0 72 -2,-0.2 63,-2.5 -87,-0.2 64,-0.4 0.845 97.2 39.4 -57.4 -40.1 98.6 21.8 -29.8 90 91 A F E -aD 3 151A 7 -88,-2.2 -86,-1.7 61,-0.2 2,-0.4 -0.835 64.1-166.2-116.3 152.4 95.7 24.0 -30.9 91 92 A V E -aD 4 150A 0 59,-2.3 59,-2.2 -2,-0.3 2,-0.5 -0.988 10.6-150.8-137.4 127.9 93.3 26.3 -29.1 92 93 A M E -aD 5 149A 0 -88,-3.1 -86,-3.1 -2,-0.4 2,-0.4 -0.848 19.3-167.9 -90.1 132.8 90.0 27.8 -30.3 93 94 A V E +aD 6 148A 0 55,-2.6 55,-2.3 -2,-0.5 2,-0.3 -0.974 10.1 170.7-124.7 136.8 89.3 31.2 -28.6 94 95 A S E -a 7 0A 0 -88,-2.1 -86,-3.2 -2,-0.4 2,-0.3 -0.999 35.6-119.6-149.7 141.3 86.0 33.0 -28.8 95 96 A D E > -a 8 0A 15 -2,-0.3 3,-1.4 -88,-0.2 -86,-0.2 -0.637 22.7-141.7 -67.7 131.0 84.1 36.0 -27.3 96 97 A V T 3 S+ 0 0 8 -88,-2.1 -1,-0.1 -2,-0.3 -87,-0.1 0.805 100.1 70.0 -63.7 -26.6 80.9 34.7 -25.6 97 98 A A T 3 S+ 0 0 6 -89,-0.4 94,-2.8 1,-0.2 2,-1.1 0.580 80.1 78.4 -71.4 -8.5 79.2 37.8 -27.0 98 99 A R X + 0 0 23 -3,-1.4 3,-0.5 92,-0.3 -1,-0.2 -0.784 66.8 164.4 -93.3 87.3 79.5 36.3 -30.4 99 100 A V T 3 + 0 0 0 -2,-1.1 -1,-0.2 90,-0.4 -60,-0.1 0.868 54.7 47.7 -84.2 -40.4 76.5 34.0 -29.8 100 101 A L T 3 + 0 0 23 87,-0.6 -1,-0.2 89,-0.3 88,-0.1 -0.043 66.0 160.5-101.8 30.5 75.3 32.5 -33.1 101 102 A V < - 0 0 1 -3,-0.5 2,-0.1 87,-0.1 87,-0.1 -0.314 37.1-128.9 -53.4 126.0 78.6 31.4 -34.7 102 103 A S > - 0 0 26 1,-0.1 4,-1.8 -59,-0.0 5,-0.1 -0.414 10.6-123.9 -83.2 155.1 77.6 28.8 -37.4 103 104 A K H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.814 112.5 62.6 -60.4 -32.5 78.9 25.3 -37.9 104 105 A N H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 103.0 44.7 -58.4 -54.0 79.8 26.5 -41.4 105 106 A L H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 111.1 56.0 -60.1 -41.0 82.3 29.1 -40.2 106 107 A F H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 3,-0.3 0.922 107.8 47.6 -54.9 -47.7 83.7 26.6 -37.8 107 108 A D H X S+ 0 0 67 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.887 107.7 56.1 -63.3 -42.1 84.4 24.1 -40.6 108 109 A R H < S+ 0 0 62 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.819 111.5 43.4 -59.2 -35.1 86.0 26.9 -42.8 109 110 A L H >< S+ 0 0 0 -4,-1.6 3,-0.8 -3,-0.3 -2,-0.2 0.893 114.7 49.3 -75.8 -43.1 88.5 27.6 -39.9 110 111 A I H >< S+ 0 0 45 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.898 104.8 57.2 -64.9 -40.8 89.2 24.0 -39.2 111 112 A E T 3< S+ 0 0 135 -4,-3.0 -1,-0.2 1,-0.3 3,-0.2 0.645 109.5 47.8 -65.5 -14.7 89.8 23.1 -42.9 112 113 A N T X S+ 0 0 14 -3,-0.8 3,-1.8 -4,-0.3 4,-0.4 0.213 74.8 121.2-110.2 14.2 92.6 25.8 -43.0 113 114 A L G X S+ 0 0 27 -3,-1.7 3,-0.5 1,-0.3 -1,-0.1 0.764 74.8 44.9 -48.6 -40.5 94.3 24.7 -39.8 114 115 A D G 3 S+ 0 0 151 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.498 91.5 83.8 -89.5 -4.1 97.7 24.0 -41.3 115 116 A K G < S- 0 0 114 -3,-1.8 2,-0.2 2,-0.0 -1,-0.2 0.704 102.7 -14.0 -72.1 -22.1 97.9 27.1 -43.4 116 117 A A < - 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