==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-SEP-08 2JKZ . COMPND 2 MOLECULE: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR L.MOYNIE,M.F.GIRAUD,A.BRETON,F.BOISSIER,B.DAIGNAN-FORNIER, . 804 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 0 0.0 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 . 93 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 1 0 0 0 0 4 0 0 0 0 4 0 0 4 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 3 6 8 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 4 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 5 A D 0 0 152 0, 0.0 172,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 85.1 19.4 45.5 54.1 2 6 A K E -a 173 0A 113 170,-0.1 2,-0.6 172,-0.0 172,-0.2 -0.542 360.0-135.5 -91.8 157.6 17.7 45.5 50.7 3 7 A Q E -a 174 0A 27 170,-2.2 172,-2.6 -2,-0.2 2,-0.5 -0.947 20.1-148.4-113.2 110.7 14.3 46.9 49.9 4 8 A Y E -a 175 0A 34 -2,-0.6 2,-0.5 170,-0.2 189,-0.2 -0.700 11.0-163.8 -85.8 124.8 12.3 44.6 47.7 5 9 A I - 0 0 2 170,-2.2 2,-0.2 -2,-0.5 191,-0.1 -0.913 9.3-142.6-108.9 129.1 9.9 46.2 45.2 6 10 A S > - 0 0 1 189,-1.5 4,-2.2 -2,-0.5 3,-0.3 -0.504 20.9-120.3 -87.5 159.1 7.1 44.3 43.5 7 11 A Y H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.978 116.4 54.0 -58.6 -53.4 6.0 44.8 39.9 8 12 A N H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.763 106.7 52.3 -52.8 -28.4 2.6 45.7 41.2 9 13 A N H > S+ 0 0 12 -3,-0.3 4,-2.6 186,-0.2 -1,-0.2 0.956 106.8 50.3 -72.3 -51.7 4.1 48.3 43.4 10 14 A V H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.871 110.3 55.1 -51.6 -36.2 6.0 49.9 40.6 11 15 A H H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.924 108.7 43.6 -65.0 -46.7 2.7 49.9 38.8 12 16 A Q H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.821 108.8 58.8 -70.4 -30.2 0.8 51.8 41.5 13 17 A L H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.949 108.7 45.0 -62.5 -46.4 3.6 54.3 41.9 14 18 A C H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.945 110.2 57.6 -60.1 -46.7 3.3 55.2 38.3 15 19 A Q H X S+ 0 0 43 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.912 111.1 38.1 -49.5 -56.7 -0.5 55.3 38.7 16 20 A V H >X S+ 0 0 47 -4,-2.5 3,-1.1 1,-0.2 4,-0.8 0.924 117.0 51.9 -63.7 -43.2 -0.6 57.9 41.4 17 21 A S H 3X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.784 93.3 77.2 -63.2 -27.4 2.3 59.9 39.8 18 22 A A H 3X S+ 0 0 2 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.3 0.870 92.5 51.5 -51.2 -41.7 0.3 59.8 36.6 19 23 A E H X< S+ 0 0 112 -3,-1.1 3,-1.3 -4,-0.7 4,-0.4 0.980 108.8 44.8 -62.9 -61.1 -1.9 62.5 37.9 20 24 A R H >X S+ 0 0 37 -4,-0.8 3,-1.6 1,-0.3 4,-0.6 0.901 113.9 54.1 -49.8 -43.7 0.6 65.1 39.0 21 25 A I H 3X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.3 -1,-0.3 0.796 89.2 77.1 -61.5 -30.0 2.4 64.4 35.7 22 26 A K H << S+ 0 0 79 -3,-1.3 -1,-0.3 -4,-1.2 -2,-0.2 0.677 90.5 57.9 -57.0 -17.2 -0.8 65.2 33.8 23 27 A N H <4 S+ 0 0 98 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.984 93.6 59.3 -74.5 -65.3 -0.1 68.9 34.3 24 28 A F H < S- 0 0 13 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.699 96.7-148.5 -35.2 -23.9 3.3 69.1 32.7 25 29 A K < - 0 0 158 -4,-0.8 65,-0.2 1,-0.1 -3,-0.1 0.953 15.5-145.5 44.9 69.2 1.3 67.9 29.7 26 30 A P - 0 0 24 0, 0.0 65,-0.2 0, 0.0 3,-0.1 -0.314 20.8-163.3 -64.7 142.7 4.3 65.9 28.2 27 31 A D S S- 0 0 71 63,-2.9 29,-0.6 1,-0.4 2,-0.3 0.642 76.4 -4.3 -98.3 -23.6 4.6 65.8 24.4 28 32 A L E -bc 56 91B 2 62,-1.2 64,-2.1 27,-0.2 2,-0.4 -0.980 64.8-127.9-164.6 157.8 7.0 62.8 24.5 29 33 A I E -bc 57 92B 0 27,-3.0 29,-3.3 -2,-0.3 2,-0.6 -0.941 10.9-162.6-116.8 135.0 8.9 60.7 27.0 30 34 A I E -bc 58 93B 0 62,-2.5 64,-2.7 -2,-0.4 2,-0.5 -0.977 15.9-155.8-117.3 118.5 12.6 60.0 26.9 31 35 A A E -bc 59 94B 0 27,-2.7 29,-2.4 -2,-0.6 2,-0.7 -0.836 9.5-137.9-102.5 130.1 13.6 56.9 28.9 32 36 A I E > -b 60 0B 12 62,-3.0 4,-2.2 -2,-0.5 64,-0.3 -0.727 66.0 -39.2 -86.0 114.6 17.0 56.3 30.4 33 37 A G H > S- 0 0 17 27,-3.2 4,-1.0 -2,-0.7 27,-0.2 -0.006 90.0 -63.7 62.3-173.3 18.1 52.7 30.0 34 38 A G H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.789 132.7 68.9 -77.4 -27.2 15.7 49.8 30.4 35 39 A G H 4 S+ 0 0 9 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.908 107.1 35.2 -55.5 -47.3 15.4 50.8 34.0 36 40 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 58,-0.2 -1,-0.2 0.724 110.4 66.7 -81.0 -21.3 13.5 54.0 33.0 37 41 A F H X S+ 0 0 8 -4,-1.0 4,-3.3 -5,-0.3 5,-0.2 0.964 94.5 53.7 -65.8 -52.6 11.7 52.3 30.1 38 42 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.925 115.3 38.8 -49.8 -53.5 9.6 49.9 32.1 39 43 A P H > S+ 0 0 1 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.896 114.5 56.1 -66.6 -34.5 8.0 52.5 34.3 40 44 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.943 107.5 48.4 -59.4 -47.0 7.8 54.9 31.4 41 45 A R H X S+ 0 0 22 -4,-3.3 4,-1.3 2,-0.2 -1,-0.2 0.911 115.0 44.3 -59.4 -44.5 5.8 52.3 29.4 42 46 A I H >X S+ 0 0 1 -4,-2.0 4,-1.2 -5,-0.2 3,-0.6 0.960 107.9 58.8 -62.8 -51.9 3.4 51.8 32.4 43 47 A L H 3X S+ 0 0 0 -4,-3.5 4,-1.1 1,-0.3 3,-0.3 0.826 101.5 58.2 -45.6 -37.4 3.2 55.5 32.9 44 48 A R H >X S+ 0 0 60 -4,-1.7 3,-1.0 1,-0.2 4,-0.8 0.940 94.5 61.0 -62.6 -50.0 1.9 55.7 29.4 45 49 A T H << S+ 0 0 23 -4,-1.3 3,-0.5 -3,-0.6 -1,-0.2 0.835 108.6 46.0 -47.0 -36.2 -1.0 53.5 30.0 46 50 A F H 3< S+ 0 0 25 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.778 105.9 57.8 -80.7 -25.2 -2.3 56.0 32.5 47 51 A L H << S+ 0 0 24 -4,-1.1 2,-0.4 -3,-1.0 -1,-0.2 0.467 78.1 119.2 -83.3 -0.6 -1.7 59.1 30.4 48 52 A K < - 0 0 89 -4,-0.8 6,-0.1 -3,-0.5 -3,-0.0 -0.530 42.2-173.3 -72.1 122.5 -3.9 57.8 27.6 49 53 A E > - 0 0 99 -2,-0.4 3,-0.7 3,-0.3 -2,-0.0 -0.979 38.3 -88.5-119.4 128.7 -6.9 60.1 27.0 50 54 A P T 3 S+ 0 0 126 0, 0.0 2,-1.3 0, 0.0 -1,-0.0 0.096 106.7 0.5 -34.8 127.8 -9.7 59.1 24.5 51 55 A G T 3 S+ 0 0 79 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 -0.324 101.3 110.2 87.1 -55.3 -9.0 60.1 20.9 52 56 A V S < S- 0 0 85 -2,-1.3 -3,-0.3 -3,-0.7 -1,-0.2 -0.336 79.3-107.2 -57.4 125.8 -5.6 61.8 21.6 53 57 A P - 0 0 113 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.193 42.2 -94.1 -56.2 145.3 -2.8 59.7 20.0 54 58 A T - 0 0 71 1,-0.1 -6,-0.1 -3,-0.1 -9,-0.1 -0.388 45.0-106.0 -65.6 132.7 -0.6 57.8 22.5 55 59 A I - 0 0 25 -11,-0.2 2,-0.2 -2,-0.1 -27,-0.2 -0.191 36.1-115.6 -57.4 145.9 2.5 59.6 23.6 56 60 A R E -b 28 0B 100 -29,-0.6 -27,-3.0 -3,-0.1 2,-0.5 -0.612 19.1-150.1 -89.1 147.0 5.8 58.4 22.2 57 61 A I E -b 29 0B 12 -2,-0.2 2,-0.5 -29,-0.2 -27,-0.2 -0.967 7.6-165.7-118.9 122.7 8.7 56.9 24.3 58 62 A F E -b 30 0B 4 -29,-3.3 -27,-2.7 -2,-0.5 2,-0.3 -0.931 10.6-148.5-110.7 122.0 12.3 57.2 23.2 59 63 A A E +b 31 0B 29 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.651 18.3 178.2 -89.9 142.8 14.9 55.0 24.8 60 64 A I E -b 32 0B 0 -29,-2.4 -27,-3.2 -2,-0.3 2,-0.4 -0.993 19.3-148.2-143.1 147.0 18.5 56.2 25.3 61 65 A I E -G 75 0C 50 14,-2.2 14,-1.6 -2,-0.3 13,-0.5 -0.968 16.0-169.4-116.6 132.0 21.6 54.7 27.0 62 66 A L E -G 73 0C 29 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.976 5.0-162.2-129.1 123.0 24.1 57.0 28.6 63 67 A S E -G 72 0C 28 9,-2.3 9,-1.2 -2,-0.5 2,-0.5 -0.893 4.2-163.2-107.0 126.0 27.6 56.0 29.8 64 68 A L E -G 71 0C 54 -2,-0.5 2,-0.2 7,-0.2 7,-0.2 -0.930 11.8-178.5-113.3 122.5 29.5 58.1 32.3 65 69 A Y E -G 70 0C 126 5,-2.8 5,-2.5 -2,-0.5 2,-0.2 -0.740 6.9-177.5-116.3 163.2 33.2 57.6 32.8 66 70 A E 0 0 172 -2,-0.2 -1,-0.0 3,-0.2 0, 0.0 -0.470 360.0 360.0-134.8-155.5 35.9 59.2 35.0 67 71 A D 0 0 201 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 0.600 360.0 360.0-125.8 360.0 39.7 58.9 35.5 68 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 84 A V 0 0 118 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 148.6 33.4 63.7 33.9 70 85 A K E -G 65 0C 124 -5,-2.5 -5,-2.8 2,-0.0 2,-0.3 -0.973 360.0-161.1-121.8 120.7 33.1 61.8 30.6 71 86 A V E -G 64 0C 47 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.778 5.9-172.9-101.0 146.3 29.8 61.4 28.7 72 87 A S E -G 63 0C 40 -9,-1.2 -9,-2.3 -2,-0.3 2,-2.2 -0.914 22.1-142.9-143.8 113.3 29.2 58.8 26.0 73 88 A R E +G 62 0C 71 -2,-0.4 3,-0.3 1,-0.2 -11,-0.2 -0.493 27.6 171.2 -75.4 81.1 26.0 58.5 23.9 74 89 A T E S+ 0 0 37 -2,-2.2 2,-0.3 -13,-0.5 -1,-0.2 0.862 76.4 4.0 -59.0 -39.2 25.9 54.7 23.8 75 90 A Q E S+G 61 0C 22 -14,-1.6 -14,-2.2 -3,-0.2 -1,-0.3 -0.917 83.4 174.5-149.8 119.7 22.4 54.8 22.2 76 91 A W - 0 0 23 -2,-0.3 2,-0.6 -3,-0.3 205,-0.3 -0.762 37.7 -86.3-127.2 173.0 20.8 58.1 21.2 77 92 A I - 0 0 11 -2,-0.2 2,-2.0 -19,-0.1 3,-0.2 -0.672 28.2-146.5 -82.1 119.5 17.7 59.5 19.5 78 93 A D > - 0 0 36 -2,-0.6 4,-2.3 201,-0.3 5,-0.3 -0.561 20.0-178.4 -83.2 75.7 18.2 59.8 15.7 79 94 A Y H >>S+ 0 0 38 -2,-2.0 5,-1.5 1,-0.2 4,-1.5 0.818 73.4 64.5 -44.0 -35.8 16.0 62.9 15.5 80 95 A E H >45S+ 0 0 164 2,-0.2 3,-1.3 1,-0.2 -1,-0.2 0.975 111.1 25.8 -50.9 -82.5 16.7 62.8 11.8 81 96 A Q H 345S+ 0 0 70 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.730 123.1 55.3 -59.3 -25.4 15.0 59.6 10.7 82 97 A C H 3<5S- 0 0 16 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.712 99.4-138.4 -81.2 -20.2 12.6 59.7 13.6 83 98 A K T <<5 + 0 0 185 -4,-1.5 2,-0.5 -3,-1.3 -3,-0.2 0.969 42.7 161.4 59.2 55.6 11.4 63.2 12.6 84 99 A L < - 0 0 7 -5,-1.5 2,-0.6 -6,-0.1 -1,-0.2 -0.937 24.9-164.3-111.7 128.3 11.4 64.4 16.2 85 100 A D - 0 0 48 -2,-0.5 30,-0.1 1,-0.1 34,-0.0 -0.932 10.1-173.7-116.7 108.6 11.4 68.1 17.0 86 101 A L > + 0 0 0 -2,-0.6 3,-1.6 28,-0.1 2,-0.3 0.614 52.0 116.2 -73.0 -12.8 12.2 69.0 20.5 87 102 A V T 3 S- 0 0 11 1,-0.3 46,-0.2 31,-0.1 3,-0.1 -0.406 90.5 -6.7 -64.9 122.0 11.5 72.7 19.8 88 103 A G T 3 S+ 0 0 31 44,-2.3 -1,-0.3 -2,-0.3 2,-0.2 0.723 108.2 121.7 66.8 22.0 8.5 74.1 21.7 89 104 A K < - 0 0 55 -3,-1.6 46,-1.7 43,-0.2 2,-0.7 -0.715 65.0-123.4-111.5 164.0 7.7 70.6 23.1 90 105 A N E - d 0 135B 36 -2,-0.2 -63,-2.9 -65,-0.2 -62,-1.2 -0.919 29.7-163.1-110.2 106.4 7.6 69.4 26.8 91 106 A V E -cd 28 136B 0 44,-1.4 46,-3.3 -2,-0.7 2,-0.6 -0.762 6.1-157.5 -96.2 133.6 9.9 66.5 27.3 92 107 A L E -cd 29 137B 0 -64,-2.1 -62,-2.5 -2,-0.4 2,-0.5 -0.947 7.8-151.6-112.1 116.6 9.7 64.2 30.3 93 108 A I E -cd 30 138B 1 44,-4.3 46,-2.5 -2,-0.6 2,-0.4 -0.741 16.1-164.3 -87.2 127.5 12.8 62.3 31.2 94 109 A V E +cd 31 139B 1 -64,-2.7 -62,-3.0 -2,-0.5 2,-0.3 -0.921 22.5 145.2-120.1 143.4 12.2 59.0 32.9 95 110 A D - 0 0 14 44,-1.8 46,-0.4 -2,-0.4 -59,-0.2 -0.930 48.8-114.9-166.2 147.3 14.4 56.7 35.0 96 111 A E S S+ 0 0 31 -64,-0.3 46,-2.4 -2,-0.3 45,-1.2 0.922 86.8 16.1 -61.0 -51.0 13.7 54.4 38.0 97 112 A V E -e 142 0B 26 44,-0.2 2,-0.7 43,-0.2 46,-0.2 -0.972 53.6-144.2-136.8 146.4 15.7 56.0 40.8 98 113 A D E +e 143 0B 0 44,-2.4 46,-2.2 -2,-0.4 42,-0.0 -0.895 36.1 152.7-101.8 107.2 17.5 59.2 41.7 99 114 A D S S- 0 0 54 -2,-0.7 -1,-0.2 44,-0.2 47,-0.1 0.879 81.7 -8.4 -99.0 -70.4 20.6 58.3 43.7 100 115 A T S S- 0 0 27 48,-0.1 49,-2.4 49,-0.1 50,-1.4 0.330 87.1-127.0-109.9 0.3 23.4 60.9 43.4 101 116 A R S > S+ 0 0 21 47,-0.2 4,-2.8 48,-0.2 50,-0.2 0.259 77.6 121.9 71.2 -13.6 21.5 62.7 40.6 102 117 A T H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.896 70.3 49.8 -41.6 -56.7 24.6 62.3 38.5 103 118 A T H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.934 113.3 42.7 -52.8 -56.3 22.8 60.4 35.8 104 119 A L H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.860 106.7 65.0 -63.3 -33.1 19.9 62.8 35.4 105 120 A H H X S+ 0 0 51 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.955 113.6 30.5 -51.1 -56.3 22.2 65.8 35.6 106 121 A Y H X S+ 0 0 52 -4,-1.8 4,-3.1 2,-0.2 5,-0.4 0.844 115.1 60.3 -72.7 -37.2 24.0 64.8 32.3 107 122 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.937 112.5 40.1 -56.4 -47.1 20.9 63.2 30.8 108 123 A L H X S+ 0 0 3 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.982 115.8 52.9 -63.6 -57.1 19.2 66.6 31.1 109 124 A S H >X S+ 0 0 34 -4,-2.5 4,-1.9 -5,-0.4 3,-0.7 0.914 111.1 42.9 -40.7 -67.5 22.3 68.4 30.0 110 125 A E H 3X S+ 0 0 17 -4,-3.1 4,-1.8 1,-0.3 -1,-0.2 0.858 114.1 51.7 -52.3 -42.1 23.0 66.5 26.8 111 126 A L H 3X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.4 -1,-0.3 0.824 106.8 54.7 -67.0 -30.5 19.3 66.6 25.9 112 127 A E H X S+ 0 0 60 -4,-2.8 4,-2.9 1,-0.2 3,-1.5 0.937 116.1 43.3 -47.6 -62.6 19.5 74.3 21.6 117 132 A E H 3X S+ 0 0 132 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.792 115.7 49.9 -57.4 -29.8 21.4 73.2 18.5 118 133 A Q H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.605 112.8 49.5 -83.6 -13.1 18.1 71.9 17.0 119 134 A A H X<>S+ 0 0 13 -3,-1.5 5,-1.1 -4,-1.2 3,-0.9 0.882 112.2 43.4 -88.6 -50.8 16.6 75.3 17.8 120 135 A K H ><5S+ 0 0 163 -4,-2.9 3,-3.4 1,-0.3 4,-0.3 0.976 111.6 52.3 -60.6 -56.9 19.4 77.6 16.3 121 136 A A T 3<5S+ 0 0 82 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.524 104.2 62.7 -59.4 -2.0 19.8 75.5 13.1 122 137 A K T < 5S- 0 0 103 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.507 119.6-109.5 -99.3 -8.1 16.0 76.0 12.8 123 138 A G T < 5S+ 0 0 71 -3,-3.4 2,-0.3 1,-0.3 -3,-0.2 0.872 78.3 112.0 82.6 40.1 16.3 79.7 12.6 124 139 A I < - 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