==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-06 2J6H . COMPND 2 MOLECULE: GLUCOSAMINE-FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.MOUILLERON,B.GOLINELLI-PIMPANEAU . 1218 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 870 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 12.6 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 77 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 4 0 3 4 4 4 1 1 4 0 3 0 2 0 0 2 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 4 8 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 . 3 6 4 8 2 5 2 0 1 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 . 2 0 0 2 2 2 2 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 A C 0 0 0 0, 0.0 2,-0.4 0, 0.0 72,-0.2 0.000 360.0 360.0 360.0 163.4 8.0 28.1 84.4 2 2 A G E -A 72 0A 0 70,-2.0 70,-2.0 25,-0.1 2,-0.4 -0.940 360.0-167.5-123.9 135.6 6.6 24.7 83.4 3 3 A I E -A 71 0A 0 -2,-0.4 188,-1.4 68,-0.2 2,-0.3 -0.963 5.4-178.3-126.5 149.9 4.2 22.5 85.4 4 4 A V E -AB 70 190A 0 66,-1.5 66,-2.4 -2,-0.4 2,-0.3 -0.976 1.4-176.8-139.5 148.9 3.1 18.9 85.0 5 5 A G E -AB 69 189A 0 184,-2.4 184,-1.9 -2,-0.3 2,-0.3 -0.980 3.5-178.4-145.0 147.7 0.6 16.8 87.0 6 6 A A E -AB 68 188A 0 62,-2.3 62,-2.0 -2,-0.3 2,-0.4 -0.995 11.8-172.1-151.1 143.0 -0.4 13.2 86.7 7 7 A I E +AB 67 187A 4 180,-2.2 180,-2.0 -2,-0.3 2,-0.2 -0.962 33.0 119.3-141.7 119.0 -2.8 10.8 88.3 8 8 A A - 0 0 10 58,-2.7 178,-0.1 -2,-0.4 58,-0.1 -0.838 66.6-101.2-156.7-174.8 -2.8 7.1 87.6 9 9 A Q S S+ 0 0 143 -2,-0.2 -1,-0.1 176,-0.1 29,-0.1 0.835 100.7 64.0 -93.2 -40.9 -2.3 3.7 89.1 10 10 A R S S- 0 0 130 1,-0.1 -2,-0.2 56,-0.1 2,-0.0 -0.239 107.6 -76.9 -71.2 165.9 1.3 3.1 87.9 11 11 A D - 0 0 79 1,-0.1 55,-0.2 -4,-0.1 4,-0.2 -0.369 39.4-167.4 -58.2 143.6 4.2 5.4 89.1 12 12 A V > + 0 0 0 53,-1.5 4,-3.3 2,-0.1 5,-0.3 0.372 58.5 104.2-118.9 -0.4 4.1 8.7 87.3 13 13 A A H > S+ 0 0 7 52,-0.4 4,-2.2 50,-0.4 5,-0.2 0.927 86.0 44.6 -49.5 -52.2 7.6 10.0 88.3 14 14 A E H > S+ 0 0 137 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.927 112.4 51.6 -61.3 -44.9 9.0 9.2 84.8 15 15 A I H > S+ 0 0 28 1,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.957 111.3 48.2 -56.2 -48.3 6.0 10.7 83.1 16 16 A L H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.877 111.7 49.2 -56.8 -40.5 6.4 13.9 85.1 17 17 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.895 108.4 51.6 -71.3 -38.4 10.1 14.1 84.4 18 18 A E H X S+ 0 0 52 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.913 107.4 55.3 -61.6 -42.4 9.8 13.7 80.7 19 19 A G H X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.3 -1,-0.2 0.916 106.5 51.0 -53.8 -46.1 7.2 16.5 80.8 20 20 A L H >X S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 4,-0.7 0.895 105.1 54.6 -64.2 -39.8 9.8 18.7 82.5 21 21 A R H >< S+ 0 0 93 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.928 110.7 48.2 -55.4 -40.8 12.4 18.0 79.8 22 22 A R H 3< S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.615 113.9 45.6 -80.3 -12.4 9.9 19.1 77.3 23 23 A L H X< S+ 0 0 0 -3,-0.8 3,-2.4 -4,-0.8 -1,-0.3 0.343 77.8 104.8-112.4 7.3 9.0 22.3 79.3 24 24 A E G X< + 0 0 45 -3,-0.9 3,-1.7 -4,-0.7 579,-0.4 0.716 64.9 74.9 -59.4 -21.4 12.6 23.3 80.0 25 25 A Y G 3 S+ 0 0 49 1,-0.3 579,-2.5 -3,-0.2 -1,-0.3 0.738 93.2 58.5 -64.5 -10.1 12.2 26.0 77.3 26 26 A R G < S- 0 0 0 -3,-2.4 580,-0.3 1,-0.3 -1,-0.3 0.635 126.8 -29.2 -93.2 -12.3 10.1 27.6 80.1 27 27 A G < - 0 0 0 -3,-1.7 -1,-0.3 -4,-0.2 47,-0.3 -0.617 37.5-170.0 160.7 136.0 13.0 27.7 82.7 28 28 A Y + 0 0 10 573,-0.5 46,-0.2 -2,-0.2 3,-0.1 0.070 61.9 102.5-129.3 27.0 16.1 25.9 83.8 29 29 A D S S- 0 0 18 44,-3.1 20,-2.4 1,-0.3 2,-0.3 0.889 96.4 -27.5 -77.8 -38.9 16.9 27.5 87.2 30 30 A S E -CD 48 73A 0 43,-0.6 43,-2.8 18,-0.3 2,-0.3 -0.963 58.3-155.2-164.8 170.6 15.6 24.7 89.3 31 31 A A E +CD 47 72A 0 16,-2.0 16,-2.6 -2,-0.3 2,-0.3 -0.977 10.7 172.4-157.6 150.4 13.2 21.9 89.2 32 32 A G E -CD 46 71A 0 39,-2.2 39,-3.1 -2,-0.3 2,-0.3 -0.965 9.8-165.0-150.2 167.2 11.1 19.6 91.5 33 33 A L E -CD 45 70A 0 12,-1.9 12,-2.6 -2,-0.3 2,-0.4 -0.986 5.9-157.5-148.1 152.7 8.4 17.0 91.7 34 34 A A E -CD 44 69A 0 35,-3.0 35,-1.9 -2,-0.3 2,-0.3 -0.987 12.1-175.2-132.3 127.6 6.2 15.5 94.5 35 35 A V E -CD 43 68A 0 8,-2.0 8,-2.9 -2,-0.4 2,-0.4 -0.902 6.5-161.2-117.7 153.8 4.6 12.1 94.3 36 36 A V E -CD 42 67A 1 31,-2.6 31,-1.4 -2,-0.3 30,-0.9 -0.979 10.4-142.6-130.6 138.0 2.1 10.3 96.7 37 37 A D > - 0 0 49 4,-1.8 3,-2.0 -2,-0.4 28,-0.1 -0.361 41.0 -88.6 -92.4-180.0 1.3 6.7 97.0 38 38 A A T 3 S+ 0 0 91 1,-0.3 129,-0.1 2,-0.1 -1,-0.1 0.655 125.1 59.8 -62.2 -18.0 -2.1 5.2 97.7 39 39 A E T 3 S- 0 0 147 2,-0.1 -1,-0.3 126,-0.1 3,-0.1 0.355 119.8-105.0 -91.2 1.6 -1.4 5.4 101.5 40 40 A G S < S+ 0 0 20 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.634 70.8 148.2 86.4 11.4 -1.0 9.1 101.4 41 41 A H - 0 0 117 123,-0.1 -4,-1.8 2,-0.0 2,-0.4 -0.725 31.6-156.8 -90.2 120.5 2.9 8.9 101.8 42 42 A M E -C 36 0A 60 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.2 -0.793 13.8-168.5-105.8 139.6 4.5 11.9 100.0 43 43 A T E -C 35 0A 72 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.5 -0.993 9.7-167.6-124.9 119.0 8.1 12.1 98.6 44 44 A R E -C 34 0A 85 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.942 5.5-177.6-109.4 134.3 9.2 15.5 97.6 45 45 A L E +C 33 0A 30 -12,-2.6 -12,-1.9 -2,-0.5 2,-0.3 -0.989 6.1 169.3-131.8 126.8 12.5 16.0 95.5 46 46 A R E -C 32 0A 34 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.977 8.2-173.6-139.0 149.0 14.0 19.4 94.4 47 47 A R E -C 31 0A 70 -16,-2.6 -16,-2.0 -2,-0.3 2,-0.4 -0.982 27.8-127.8-145.8 136.8 17.2 20.5 92.9 48 48 A L E S+C 30 0A 93 -2,-0.3 -18,-0.3 -18,-0.2 2,-0.2 -0.631 81.6 44.9 -69.7 127.1 18.9 23.8 92.0 49 49 A G S S- 0 0 14 -20,-2.4 -2,-0.1 -2,-0.4 5,-0.1 -0.732 97.1 -28.2 128.3-175.1 19.9 23.4 88.4 50 50 A K >> - 0 0 72 -2,-0.2 3,-1.7 1,-0.1 4,-1.0 -0.280 67.9 -96.3 -76.0 162.8 18.6 22.1 85.0 51 51 A V H 3> S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.788 122.0 64.1 -47.4 -36.1 16.0 19.4 84.7 52 52 A Q H 3> S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.829 94.7 59.1 -60.6 -36.5 18.7 16.8 84.2 53 53 A M H <> S+ 0 0 86 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.947 109.8 44.5 -54.7 -50.8 20.0 17.4 87.8 54 54 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 1,-0.2 -2,-0.2 0.937 110.5 53.2 -58.8 -48.6 16.6 16.4 89.0 55 55 A A H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.906 109.9 49.3 -52.8 -45.7 16.4 13.4 86.7 56 56 A Q H X S+ 0 0 101 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.933 110.6 49.0 -61.7 -45.6 19.8 12.2 88.1 57 57 A A H X S+ 0 0 3 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.907 111.7 50.1 -63.7 -38.6 18.7 12.6 91.7 58 58 A A H < S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 105.9 55.8 -69.1 -33.3 15.5 10.7 91.0 59 59 A E H < S+ 0 0 152 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 107.5 48.5 -70.0 -34.9 17.3 7.9 89.3 60 60 A E H < S+ 0 0 125 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.782 129.3 22.9 -73.5 -26.5 19.5 7.3 92.4 61 61 A H S < S- 0 0 141 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.685 88.9-147.0-140.3 85.4 16.4 7.4 94.7 62 62 A P - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.094 8.6-133.1 -56.0 143.8 13.2 6.5 92.8 63 63 A L - 0 0 8 -5,-0.1 2,-0.4 2,-0.1 -50,-0.4 -0.898 19.7-155.3-102.1 126.7 9.9 8.1 93.8 64 64 A H + 0 0 117 -2,-0.5 2,-0.2 -29,-0.1 -21,-0.1 -0.831 41.5 85.6-104.7 136.0 7.0 5.6 94.1 65 65 A G - 0 0 8 -2,-0.4 -53,-1.5 -28,-0.1 -52,-0.4 -0.653 63.6-120.1 147.6 156.0 3.3 6.7 93.7 66 66 A G S S+ 0 0 9 -30,-0.9 -58,-2.7 -55,-0.2 2,-0.4 0.416 91.5 60.5-105.1 -4.2 0.5 7.4 91.2 67 67 A T E +AD 7 36A 7 -31,-1.4 -31,-2.6 -60,-0.2 2,-0.3 -0.991 64.4 135.9-125.9 139.4 -0.2 11.0 91.9 68 68 A G E -AD 6 35A 0 -62,-2.0 -62,-2.3 -2,-0.4 2,-0.3 -0.977 33.7-148.2-172.1 156.4 2.3 13.8 91.5 69 69 A I E -AD 5 34A 0 -35,-1.9 -35,-3.0 -2,-0.3 2,-0.3 -0.886 18.3-171.5-125.1 166.4 3.1 17.3 90.4 70 70 A A E -AD 4 33A 0 -66,-2.4 -66,-1.5 -2,-0.3 2,-0.3 -0.967 3.0-163.2-153.3 164.6 6.3 18.7 89.0 71 71 A H E -AD 3 32A 0 -39,-3.1 -39,-2.2 -2,-0.3 2,-0.4 -0.998 13.7-159.8-158.8 144.1 7.8 22.0 88.1 72 72 A T E -AD 2 31A 0 -70,-2.0 -70,-2.0 -2,-0.3 2,-0.4 -0.986 32.4-137.3-124.0 137.1 10.7 23.6 86.2 73 73 A R E - D 0 30A 0 -43,-2.8 -44,-3.1 -2,-0.4 -43,-0.6 -0.814 34.3-178.5-113.9 138.0 11.6 27.3 87.1 74 74 A W - 0 0 2 -2,-0.4 2,-0.2 -47,-0.3 528,-0.1 -0.995 49.1-126.4-111.3 110.4 12.5 30.6 85.7 75 75 A A + 0 0 0 -2,-0.5 3,-0.1 1,-0.2 1072,-0.1 -0.434 48.0 152.7 -66.9 126.1 12.9 32.5 88.9 76 76 A T S S+ 0 0 0 1,-0.3 2,-0.6 -2,-0.2 1071,-0.4 0.742 71.7 38.6-110.3 -44.7 11.0 35.8 89.5 77 77 A H S S+ 0 0 4 1,-0.1 -1,-0.3 7,-0.1 47,-0.1 -0.934 120.6 5.0-117.9 107.3 10.6 36.0 93.3 78 78 A G S S- 0 0 9 -2,-0.6 1069,-0.1 1065,-0.3 3,-0.1 0.309 93.9 -79.9 87.6 133.9 13.6 34.8 95.2 79 79 A E - 0 0 104 1,-0.1 5,-0.2 1067,-0.1 42,-0.1 -0.175 62.9 -80.7 -56.2 154.0 17.0 33.8 93.7 80 80 A P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.395 75.1 134.8 -58.7 132.2 17.3 30.2 92.3 81 81 A S > - 0 0 21 -3,-0.1 4,-1.0 1,-0.1 3,-0.2 -0.920 68.0-108.5-175.3 153.4 17.8 27.7 95.3 82 82 A E T >4 S+ 0 0 89 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.895 119.3 59.5 -61.4 -40.4 16.4 24.4 96.3 83 83 A V T 34 S+ 0 0 72 1,-0.2 -1,-0.2 -3,-0.1 36,-0.1 0.903 111.3 39.6 -51.2 -46.3 14.6 26.2 99.1 84 84 A N T 34 S+ 0 0 0 -5,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.517 92.4 110.0 -84.0 -7.1 12.7 28.3 96.6 85 85 A A << - 0 0 0 -4,-1.0 37,-0.1 -3,-0.7 -37,-0.1 -0.378 69.9 -89.0 -67.8 148.1 12.1 25.6 94.1 86 86 A H S S+ 0 0 0 1133,-0.1 -15,-0.2 11,-0.1 2,-0.2 -0.540 93.9 77.5 -78.9 159.9 8.6 24.3 93.6 87 87 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.505 69.7-167.7 -70.7 141.6 6.7 22.2 94.7 88 88 A H E -H 95 0B 2 7,-2.1 7,-2.2 -2,-0.2 2,-0.3 -0.730 6.4-149.9 -98.4 151.3 6.0 24.4 97.7 89 89 A V E -H 94 0B 38 -2,-0.3 5,-0.2 5,-0.2 40,-0.1 -0.819 31.2-171.6-124.2 158.2 4.2 22.9 100.7 90 90 A S E > S-H 93 0B 4 3,-2.2 3,-2.1 1,-0.4 2,-0.2 -0.689 75.1 -76.1-138.2 82.2 1.9 23.9 103.5 91 91 A E T 3 S+ 0 0 132 1,-0.3 -1,-0.4 -2,-0.1 72,-0.1 -0.455 122.5 2.1 53.8-116.6 2.0 20.6 105.5 92 92 A H T 3 S+ 0 0 28 -2,-0.2 71,-2.7 -3,-0.1 2,-0.4 0.612 116.7 94.2 -71.5 -14.1 -0.3 18.2 103.3 93 93 A I E < -HI 90 162B 0 -3,-2.1 -3,-2.2 69,-0.2 2,-0.4 -0.677 55.3-175.2 -85.5 131.6 -0.9 20.9 100.7 94 94 A V E -HI 89 161B 0 67,-2.9 67,-2.8 -2,-0.4 2,-0.3 -0.992 3.5-177.9-132.8 136.5 1.4 20.8 97.7 95 95 A V E -HI 88 160B 0 -7,-2.2 -7,-2.1 -2,-0.4 2,-0.4 -0.990 19.6-169.7-142.7 134.7 1.6 23.3 94.9 96 96 A V E - I 0 159B 0 63,-1.7 63,-1.8 -2,-0.3 2,-0.4 -0.968 21.6-169.3-118.6 149.3 3.3 24.0 91.6 97 97 A H E - I 0 158B 0 -2,-0.4 2,-0.6 61,-0.2 61,-0.2 -0.990 24.3-169.3-144.4 129.8 2.8 27.4 90.0 98 98 A N E + I 0 157B 0 59,-1.9 59,-1.1 -2,-0.4 2,-0.3 -0.977 69.2 34.6-113.8 111.4 3.6 29.1 86.6 99 99 A G E S- I 0 156B 0 -2,-0.6 2,-0.3 57,-0.2 57,-0.2 -0.974 85.4 -75.9 151.6-158.1 2.9 32.8 87.1 100 100 A I E - I 0 155B 6 55,-1.0 55,-1.5 -2,-0.3 2,-1.2 -0.952 17.1-146.0-146.4 125.2 3.1 35.6 89.6 101 101 A I E > - I 0 154B 0 -2,-0.3 3,-1.9 53,-0.2 53,-0.2 -0.732 19.9-169.0 -86.8 96.4 0.9 36.4 92.6 102 102 A E T 3 S+ 0 0 26 51,-1.5 3,-0.3 -2,-1.2 -1,-0.2 0.728 82.5 49.5 -63.2 -23.3 1.2 40.2 92.4 103 103 A N T 3> + 0 0 17 50,-0.7 4,-1.8 1,-0.2 -1,-0.3 -0.013 70.0 125.0-106.4 28.1 -0.4 40.8 95.8 104 104 A H H <> + 0 0 16 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.774 65.9 64.1 -52.4 -31.5 1.9 38.2 97.5 105 105 A E H > S+ 0 0 73 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.988 106.8 36.1 -63.8 -63.7 2.9 41.0 100.0 106 106 A P H > S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.963 120.0 51.1 -53.1 -52.4 -0.4 41.7 101.7 107 107 A L H X S+ 0 0 7 -4,-1.8 4,-3.1 1,-0.3 5,-0.3 0.888 108.9 50.8 -53.0 -52.0 -1.4 38.0 101.5 108 108 A R H X S+ 0 0 31 -4,-2.7 4,-2.6 1,-0.2 -1,-0.3 0.902 111.4 46.4 -50.4 -48.7 1.9 36.9 103.1 109 109 A E H X S+ 0 0 119 -4,-2.2 4,-1.2 -3,-0.3 -1,-0.2 0.885 113.9 50.0 -66.0 -34.9 1.6 39.3 106.0 110 110 A E H X S+ 0 0 68 -4,-2.2 4,-0.7 -5,-0.2 3,-0.2 0.912 112.6 45.7 -69.6 -43.8 -2.1 38.2 106.5 111 111 A L H ><>S+ 0 0 0 -4,-3.1 5,-1.7 1,-0.2 3,-0.6 0.869 109.3 56.1 -68.4 -34.0 -1.1 34.5 106.5 112 112 A K H ><5S+ 0 0 99 -4,-2.6 3,-1.0 -5,-0.3 -1,-0.2 0.823 103.7 55.0 -62.3 -30.4 1.8 35.2 108.8 113 113 A A H 3<5S+ 0 0 88 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.668 103.5 55.4 -78.6 -19.1 -0.7 36.7 111.3 114 114 A R T <<5S- 0 0 79 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.321 129.6 -93.2 -94.0 3.3 -2.7 33.5 111.2 115 115 A G T < 5S+ 0 0 60 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.229 76.1 140.2 112.5 -15.5 0.4 31.5 112.2 116 116 A Y < - 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