==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-03 1QXZ . COMPND 2 MOLECULE: METHIONYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.DOUANGAMATH,G.E.DALE,A.D'ARCY,C.OEFNER . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 1 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 8 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 M 0 0 21 0, 0.0 197,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 164.5 13.1 15.0 -8.8 2 2 A I B -A 197 0A 62 195,-0.2 2,-0.4 235,-0.1 195,-0.2 -0.947 360.0-134.5 -99.4 119.9 10.8 16.1 -11.6 3 3 A V + 0 0 22 193,-2.8 3,-0.1 -2,-0.6 194,-0.0 -0.622 36.8 158.6 -71.1 130.8 11.6 14.3 -14.9 4 6 A K + 0 0 160 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.587 55.2 47.7-126.5 -19.2 11.7 16.8 -17.8 5 7 A T S > S- 0 0 57 1,-0.1 4,-2.1 0, 0.0 3,-0.3 -0.919 74.4-122.4-127.2 151.5 13.7 15.0 -20.5 6 8 A E H > S+ 0 0 106 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.880 113.7 57.8 -46.8 -42.1 13.8 11.6 -22.2 7 9 A E H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 104.9 48.3 -70.8 -35.9 17.4 11.3 -21.1 8 10 A E H > S+ 0 0 39 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.916 112.2 51.0 -61.3 -46.2 16.6 11.8 -17.4 9 11 A L H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.914 110.0 49.0 -59.7 -45.0 13.9 9.1 -17.9 10 12 A Q H X S+ 0 0 106 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.932 110.4 50.8 -62.4 -43.3 16.3 6.8 -19.5 11 13 A A H X S+ 0 0 20 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.892 111.5 48.2 -61.4 -39.4 18.8 7.3 -16.6 12 14 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.884 111.3 49.2 -69.9 -38.2 16.2 6.6 -14.0 13 15 A K H X S+ 0 0 100 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.882 109.5 54.4 -67.4 -36.4 15.0 3.4 -15.8 14 16 A E H X S+ 0 0 78 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.961 113.1 38.8 -62.2 -51.8 18.6 2.2 -16.0 15 17 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.837 114.2 56.5 -74.2 -30.3 19.4 2.5 -12.3 16 18 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.928 107.2 48.8 -60.7 -45.5 15.9 1.3 -11.5 17 19 A Y H X S+ 0 0 91 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.942 110.3 51.2 -58.7 -47.4 16.5 -1.9 -13.5 18 20 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.917 111.1 47.0 -59.1 -45.6 19.9 -2.4 -11.8 19 21 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.891 113.0 49.3 -65.9 -39.0 18.4 -2.1 -8.3 20 22 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 226,-0.2 5,-0.2 0.926 110.9 50.3 -63.3 -43.3 15.6 -4.5 -9.2 21 23 A K H X S+ 0 0 72 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.917 113.5 45.2 -60.2 -44.9 18.0 -7.0 -10.7 22 24 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.935 112.9 50.8 -64.4 -46.9 20.1 -6.8 -7.5 23 25 A R H X S+ 0 0 19 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.939 112.8 45.7 -56.4 -50.7 17.1 -7.1 -5.3 24 26 A N H X S+ 0 0 61 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.898 113.4 49.2 -58.9 -44.1 15.8 -10.1 -7.1 25 27 A T H X S+ 0 0 46 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.923 112.7 47.1 -65.6 -44.4 19.1 -11.9 -7.2 26 28 A M H X S+ 0 0 0 -4,-2.8 4,-0.5 2,-0.2 3,-0.3 0.929 112.6 49.3 -62.9 -46.3 19.7 -11.3 -3.4 27 29 A Q H >< S+ 0 0 59 -4,-2.6 3,-1.4 -5,-0.2 -2,-0.2 0.927 109.9 51.6 -57.8 -45.7 16.2 -12.5 -2.6 28 30 A A H 3< S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 110.0 50.0 -60.7 -30.9 16.7 -15.6 -4.7 29 31 A A H 3< S+ 0 0 31 -4,-1.4 2,-0.7 -3,-0.3 -1,-0.3 0.486 83.7 110.3 -87.9 -4.0 19.9 -16.3 -2.9 30 32 A T << + 0 0 16 -3,-1.4 60,-0.0 -4,-0.5 6,-0.0 -0.639 41.6 134.7 -84.3 115.1 18.4 -16.0 0.6 31 33 A K > - 0 0 113 -2,-0.7 3,-1.9 80,-0.1 53,-0.3 -0.966 63.3 -69.4-152.6 158.0 18.2 -19.4 2.3 32 34 A P T 3 S+ 0 0 51 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.307 117.7 29.5 -52.2 132.8 19.0 -20.9 5.7 33 35 A G T 3 S+ 0 0 51 51,-2.8 2,-0.3 1,-0.4 52,-0.1 0.215 89.7 110.2 102.5 -13.5 22.8 -20.9 6.2 34 36 A I < - 0 0 28 -3,-1.9 50,-2.9 50,-0.1 -1,-0.4 -0.719 63.2-129.6 -89.1 144.3 23.8 -17.9 4.2 35 37 A T B > -B 83 0B 27 -2,-0.3 4,-1.8 48,-0.2 48,-0.2 -0.610 17.0-121.0 -87.4 156.7 25.1 -14.8 6.0 36 38 A T H > S+ 0 0 3 46,-2.0 4,-2.2 1,-0.2 45,-0.2 0.810 115.4 58.2 -66.4 -28.1 23.7 -11.3 5.3 37 39 A K H > S+ 0 0 90 43,-2.3 4,-1.9 45,-0.3 -1,-0.2 0.900 103.3 52.3 -64.1 -40.1 27.2 -10.3 4.4 38 40 A E H > S+ 0 0 92 42,-0.3 4,-0.8 1,-0.2 -2,-0.2 0.901 110.0 48.4 -62.6 -40.1 27.3 -13.0 1.8 39 41 A L H >X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 3,-0.9 0.907 109.0 53.6 -62.1 -41.3 24.0 -11.6 0.4 40 42 A D H 3X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.853 99.6 62.8 -63.8 -32.8 25.5 -8.1 0.5 41 43 A N H 3X S+ 0 0 63 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.800 94.7 61.0 -64.1 -29.1 28.5 -9.3 -1.6 42 44 A I H S+ 0 0 3 -4,-3.1 5,-2.5 -5,-0.2 4,-0.5 0.941 112.1 46.0 -60.7 -43.7 26.8 -2.9 -8.8 48 51 A E H ><5S+ 0 0 138 -4,-1.9 3,-1.0 -5,-0.3 -2,-0.2 0.930 111.7 51.6 -62.1 -45.0 30.3 -3.2 -10.2 49 52 A E H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.872 115.8 40.1 -60.3 -39.6 29.1 -5.2 -13.2 50 53 A Y H 3<5S- 0 0 54 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.338 112.1-114.7 -97.0 4.2 26.5 -2.6 -14.1 51 54 A G T <<5S+ 0 0 51 -3,-1.0 48,-0.3 -4,-0.5 2,-0.2 0.812 72.7 128.3 68.6 31.6 28.5 0.5 -13.3 52 55 A A < - 0 0 7 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.686 46.7-141.6-108.7 166.8 26.4 1.6 -10.4 53 56 A I E -C 97 0C 82 44,-2.3 44,-2.2 -2,-0.2 2,-0.1 -0.983 29.0 -94.4-131.6 147.5 27.3 2.5 -6.8 54 57 A S E > -C 96 0C 4 -2,-0.4 4,-2.2 42,-0.2 42,-0.3 -0.335 23.6-154.7 -57.1 126.4 25.7 1.9 -3.5 55 58 A A H >>S+ 0 0 0 40,-2.4 4,-3.2 2,-0.2 5,-0.6 0.896 94.0 55.3 -71.0 -41.6 23.5 4.8 -2.4 56 59 A P H >5S+ 0 0 7 0, 0.0 6,-2.3 0, 0.0 4,-1.3 0.936 113.8 41.0 -56.6 -44.2 23.8 3.9 1.3 57 60 A I H >5S+ 0 0 64 8,-0.3 4,-1.0 4,-0.3 -2,-0.2 0.911 122.5 41.3 -67.5 -42.5 27.6 4.0 1.1 58 61 A H H <5S+ 0 0 105 -4,-2.2 -3,-0.2 2,-0.2 -1,-0.1 0.954 125.3 29.4 -72.6 -52.6 27.6 7.1 -1.1 59 62 A D H <5S+ 0 0 47 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.737 139.9 16.1 -83.7 -24.2 24.8 9.3 0.5 60 63 A E H < -D 90 0C 0 -2,-0.4 3,-2.5 20,-0.2 2,-0.7 -0.949 48.3 -52.0-123.4 129.9 16.0 -9.5 9.9 71 74 A N T 3 S+ 0 0 34 18,-2.7 158,-0.4 -2,-0.4 -2,-0.0 -0.255 135.0 27.5 59.2 -95.8 13.2 -10.3 12.3 72 75 A E T 3 S+ 0 0 28 -2,-0.7 151,-1.2 150,-0.1 2,-0.4 0.789 113.4 81.1 -68.2 -25.2 13.5 -7.8 15.1 73 76 A E E < +G 222 0D 16 -3,-2.5 149,-0.3 149,-0.2 18,-0.2 -0.708 52.5 176.4 -86.9 133.8 15.1 -5.4 12.6 74 77 A V E - 0 0 6 147,-3.0 2,-0.3 -2,-0.4 -5,-0.2 0.768 63.3 -5.7-102.1 -39.1 12.7 -3.5 10.4 75 78 A A E S+G 221 0D 5 146,-1.2 146,-2.6 -7,-0.1 -1,-0.4 -0.979 112.2 33.3-155.3 159.0 15.1 -1.3 8.4 76 79 A H + 0 0 66 -2,-0.3 2,-0.1 144,-0.2 -1,-0.1 0.680 68.5 170.8 66.0 21.6 18.7 -0.1 8.1 77 80 A G - 0 0 0 14,-0.1 -9,-1.9 142,-0.1 -1,-0.2 -0.373 31.9-126.6 -64.1 139.9 20.1 -3.5 9.1 78 81 A I - 0 0 36 -11,-0.2 -11,-0.1 -2,-0.1 -41,-0.1 -0.796 22.4-118.7 -91.9 119.6 23.9 -3.9 8.7 79 82 A P + 0 0 10 0, 0.0 2,-0.2 0, 0.0 -42,-0.1 -0.308 56.7 139.5 -57.0 140.0 25.0 -6.9 6.6 80 83 A S - 0 0 50 2,-0.2 -43,-2.3 -16,-0.0 -42,-0.3 -0.744 67.8 -58.0-161.8-168.0 27.1 -9.0 8.9 81 85 A K S S+ 0 0 185 -2,-0.2 2,-0.1 -45,-0.2 0, 0.0 0.461 84.2 129.6 -78.7 1.7 28.1 -12.5 10.0 82 86 A R - 0 0 65 -47,-0.1 -46,-2.0 1,-0.1 2,-0.4 -0.358 54.1-139.4 -54.6 125.0 24.4 -13.0 11.0 83 87 A V B -B 35 0B 53 -48,-0.2 -48,-0.2 -2,-0.1 2,-0.2 -0.763 11.2-121.6 -95.0 134.5 23.2 -16.3 9.5 84 88 A I - 0 0 1 -50,-2.9 -51,-2.8 -2,-0.4 2,-0.3 -0.507 32.0-164.3 -68.9 137.8 19.7 -16.6 7.9 85 89 A R > - 0 0 172 -53,-0.2 3,-2.1 -2,-0.2 26,-0.2 -0.846 32.2 -79.1-122.7 157.9 17.6 -19.3 9.5 86 90 A E T 3 S+ 0 0 100 -2,-0.3 26,-0.2 1,-0.3 -1,-0.1 -0.323 117.5 22.2 -50.8 130.0 14.4 -21.1 8.5 87 91 A G T 3 S+ 0 0 4 24,-3.0 -1,-0.3 1,-0.3 27,-0.1 0.359 86.2 150.0 92.6 -4.3 11.4 -18.9 9.2 88 92 A D < - 0 0 14 -3,-2.1 23,-2.7 23,-0.2 2,-0.7 -0.319 44.3-137.8 -63.2 143.0 13.3 -15.6 9.2 89 93 A L E - E 0 110C 6 21,-0.2 -18,-2.7 19,-0.0 2,-0.4 -0.914 31.9-171.2 -98.9 111.7 11.4 -12.4 8.1 90 94 A V E -DE 70 109C 0 19,-2.7 19,-2.1 -2,-0.7 2,-0.5 -0.896 18.5-163.3-115.4 131.1 14.0 -10.6 5.9 91 95 A N E -DE 69 108C 5 -22,-3.0 -22,-2.4 -2,-0.4 2,-0.5 -0.963 5.9-169.7-108.3 127.5 13.9 -7.2 4.4 92 96 A I E -DE 68 107C 0 15,-2.4 15,-2.1 -2,-0.5 2,-0.5 -0.980 3.9-172.3-115.5 119.8 16.3 -6.4 1.6 93 97 A D E -DE 67 106C 19 -26,-2.7 -26,-2.0 -2,-0.5 2,-0.5 -0.960 2.2-173.5-118.5 117.5 16.6 -2.7 0.6 94 98 A V E + E 0 105C 0 11,-3.0 11,-2.3 -2,-0.5 2,-0.3 -0.951 11.6 160.5-119.8 119.5 18.6 -1.8 -2.5 95 99 A S E + E 0 104C 5 -2,-0.5 -40,-2.4 -30,-0.3 2,-0.3 -0.991 9.5 149.3-137.7 145.9 19.3 1.7 -3.5 96 100 A A E -CE 54 103C 0 7,-1.8 7,-2.0 -2,-0.3 2,-0.3 -0.976 30.6-126.9-164.6 170.2 22.0 3.1 -5.8 97 101 A L E -CE 53 102C 16 -44,-2.2 -44,-2.3 -2,-0.3 2,-0.3 -0.961 14.6-178.9-131.8 149.5 23.1 5.7 -8.3 98 102 A K E > S- E 0 101C 42 3,-2.3 3,-1.7 -2,-0.3 -83,-0.2 -0.954 77.0 -6.7-147.3 127.8 24.5 5.7 -11.8 99 103 A N T 3 S- 0 0 142 -2,-0.3 3,-0.1 -48,-0.3 -88,-0.1 0.824 131.9 -53.7 55.6 31.9 25.4 8.7 -13.9 100 104 A G T 3 S+ 0 0 37 1,-0.2 2,-0.3 -89,-0.0 -1,-0.3 0.397 114.7 109.2 92.4 -2.4 24.0 10.9 -11.2 101 105 A Y E < -E 98 0C 50 -3,-1.7 -3,-2.3 -90,-0.1 2,-0.3 -0.859 51.2-148.1-117.0 147.0 20.5 9.3 -11.0 102 106 A Y E -E 97 0C 11 69,-2.1 2,-0.3 -2,-0.3 -5,-0.2 -0.750 14.8-174.3-117.8 152.2 19.0 7.2 -8.3 103 107 A A E -E 96 0C 0 -7,-2.0 -7,-1.8 -2,-0.3 2,-0.3 -0.955 6.7-167.2-134.5 163.4 16.7 4.3 -7.6 104 108 A D E +E 95 0C 6 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.961 17.1 153.5-153.2 122.7 15.4 2.8 -4.4 105 109 A T E +E 94 0C 0 -11,-2.3 -11,-3.0 -2,-0.3 2,-0.3 -0.981 10.3 176.4-153.8 160.5 13.6 -0.5 -3.8 106 110 A G E -EF 93 233C 2 127,-1.6 127,-2.4 -2,-0.3 2,-0.3 -0.991 8.9-162.8-166.1 153.7 13.0 -3.1 -1.2 107 111 A I E -EF 92 232C 34 -15,-2.1 -15,-2.4 -2,-0.3 2,-0.4 -0.987 8.8-151.5-148.5 135.7 11.2 -6.3 -0.4 108 112 A S E +E 91 0C 8 123,-1.6 2,-0.3 -2,-0.3 -17,-0.2 -0.873 28.2 160.8-101.3 144.4 10.3 -8.3 2.7 109 113 A F E -E 90 0C 21 -19,-2.1 -19,-2.7 -2,-0.4 2,-0.4 -0.978 37.5-109.4-155.4 160.7 9.8 -12.0 2.5 110 114 A V E -E 89 0C 24 -2,-0.3 2,-0.7 -21,-0.2 -21,-0.2 -0.829 26.5-131.4 -98.5 133.8 9.8 -15.1 4.6 111 115 A V - 0 0 5 -23,-2.7 -24,-3.0 -2,-0.4 -23,-0.2 -0.752 67.8 -50.7 -84.3 114.2 12.6 -17.7 4.4 112 116 A G S S- 0 0 50 -2,-0.7 2,-0.5 -26,-0.2 -2,-0.1 -0.324 110.7 -16.8 60.2-130.8 11.0 -21.1 4.0 113 117 A E - 0 0 163 -2,-0.0 2,-0.3 2,-0.0 -25,-0.1 -0.931 55.0-163.5-117.3 130.5 8.4 -21.7 6.7 114 118 A S - 0 0 33 -2,-0.5 -27,-0.1 -27,-0.1 -26,-0.1 -0.700 28.3-127.3 -95.4 158.6 7.8 -19.9 9.9 115 119 A D S S+ 0 0 160 -2,-0.3 -1,-0.1 1,-0.1 -28,-0.0 0.565 98.4 66.3 -79.4 -5.3 5.7 -21.4 12.7 116 120 A D > - 0 0 63 -29,-0.1 3,-1.8 1,-0.1 4,-0.4 -0.935 67.4-159.3-124.5 108.4 3.7 -18.1 12.7 117 120AA P T 3> S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.643 83.0 82.2 -59.9 -16.3 1.7 -17.2 9.6 118 121 A M H 3> S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.782 81.9 63.2 -58.3 -30.3 1.7 -13.6 10.7 119 122 A K H <> S+ 0 0 22 -3,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.964 109.0 38.7 -62.4 -48.6 5.1 -13.2 9.1 120 123 A Q H > S+ 0 0 86 -4,-0.4 4,-3.0 -3,-0.2 -2,-0.2 0.875 111.0 62.3 -65.7 -37.1 3.8 -13.9 5.7 121 124 A K H X S+ 0 0 68 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.928 102.1 48.0 -56.4 -47.3 0.6 -12.0 6.4 122 125 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.881 112.5 51.1 -66.4 -31.4 2.4 -8.7 6.9 123 126 A C H X S+ 0 0 6 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.944 110.0 49.0 -64.5 -48.0 4.3 -9.4 3.6 124 127 A D H X S+ 0 0 81 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.924 114.3 45.2 -53.9 -47.6 1.0 -10.1 1.9 125 128 A V H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.819 106.9 57.5 -75.9 -30.0 -0.5 -6.8 3.2 126 129 A A H X S+ 0 0 0 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