==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-09 3KZM . COMPND 2 MOLECULE: N-ACETYLORNITHINE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR D.SHI,X.YU,N.M.ALLEWELL,M.TUCHMAN . 332 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 1 0 0 0 1 0 1 2 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 2 0 5 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 1 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 3 A L 0 0 138 0, 0.0 2,-0.5 0, 0.0 135,-0.1 0.000 360.0 360.0 360.0 135.3 81.5 49.4 79.4 2 4 A K + 0 0 86 329,-0.2 2,-0.2 2,-0.0 136,-0.0 -0.793 360.0 176.1 -95.7 128.1 84.7 51.2 80.5 3 5 A H - 0 0 31 -2,-0.5 2,-0.3 134,-0.2 136,-0.2 -0.636 33.4-127.3-117.9 175.7 88.0 49.2 80.8 4 6 A F B +a 139 0A 0 134,-2.7 136,-2.7 -2,-0.2 3,-0.1 -0.715 57.0 132.1-126.6 78.1 91.6 50.2 81.6 5 7 A L S S- 0 0 28 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.787 77.5 -3.6 -95.2 -37.5 93.4 48.6 78.7 6 8 A N > - 0 0 15 -3,-0.2 3,-1.2 140,-0.1 -1,-0.4 -0.982 57.1-128.6-156.4 146.5 95.6 51.6 77.8 7 9 A T G > S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 8,-0.1 0.791 107.0 71.2 -66.9 -25.6 95.9 55.2 79.0 8 10 A Q G 3 S+ 0 0 37 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.765 92.2 56.6 -61.7 -26.2 95.6 56.2 75.3 9 11 A D G < S+ 0 0 95 -3,-1.2 2,-0.3 2,-0.1 -1,-0.3 0.622 99.1 77.4 -79.6 -14.6 91.9 55.2 75.5 10 12 A W S < S- 0 0 15 -3,-1.5 2,-0.0 -4,-0.3 -6,-0.0 -0.734 84.3-117.0-100.0 146.9 91.4 57.6 78.3 11 13 A S > - 0 0 52 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.318 29.2-111.4 -73.8 162.8 91.0 61.4 78.1 12 14 A R H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 119.6 53.6 -63.9 -33.9 93.6 63.6 79.8 13 15 A A H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 108.9 48.2 -68.4 -38.1 90.9 64.8 82.3 14 16 A E H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.894 113.3 47.2 -68.9 -39.9 90.1 61.1 83.2 15 17 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.896 110.8 51.9 -67.3 -40.8 93.8 60.3 83.6 16 18 A D H X S+ 0 0 56 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.890 108.8 51.2 -62.2 -39.6 94.4 63.4 85.7 17 19 A A H X S+ 0 0 61 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.896 109.4 51.0 -64.6 -40.4 91.5 62.4 87.9 18 20 A L H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.939 110.4 48.0 -62.0 -47.8 93.0 58.9 88.3 19 21 A L H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.874 112.8 49.5 -62.0 -37.2 96.4 60.4 89.3 20 22 A T H X S+ 0 0 94 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.893 110.1 48.8 -70.2 -40.1 94.7 62.7 91.8 21 23 A Q H X S+ 0 0 64 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.894 109.5 55.2 -65.6 -35.7 92.7 59.9 93.4 22 24 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.917 106.9 48.8 -60.9 -44.2 95.9 57.9 93.6 23 25 A A H X S+ 0 0 39 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.873 111.1 51.5 -63.7 -35.6 97.5 60.8 95.5 24 26 A L H >X S+ 0 0 84 -4,-1.9 4,-1.7 1,-0.2 3,-0.7 0.909 108.8 49.3 -67.3 -43.5 94.5 60.9 97.8 25 27 A F H 3< S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 103.9 61.2 -64.8 -31.5 94.7 57.1 98.5 26 28 A K H 3< S+ 0 0 59 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.790 109.3 42.6 -66.5 -25.2 98.4 57.6 99.3 27 29 A R H << S+ 0 0 211 -4,-0.8 2,-0.3 -3,-0.7 -2,-0.2 0.778 131.1 22.8 -89.3 -30.0 97.3 59.9 102.1 28 30 A N S < S+ 0 0 107 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.824 71.0 175.4-136.9 91.6 94.4 57.7 103.3 29 31 A K + 0 0 113 -2,-0.3 2,-0.4 -3,-0.3 -1,-0.1 0.772 56.8 74.5 -76.1 -25.8 95.0 54.1 102.3 30 32 A L + 0 0 129 31,-0.1 2,-0.3 2,-0.0 31,-0.2 -0.741 61.7 138.8 -91.2 133.7 92.1 52.3 103.9 31 33 A G - 0 0 28 29,-2.5 3,-0.1 -2,-0.4 -2,-0.0 -0.892 55.5-119.0-154.8-175.0 88.7 52.8 102.4 32 34 A S > + 0 0 81 -2,-0.3 3,-2.0 1,-0.1 29,-0.1 0.204 69.1 117.0-121.5 15.8 85.4 51.2 101.4 33 35 A E T 3 S+ 0 0 85 1,-0.3 29,-0.1 30,-0.0 -1,-0.1 0.760 91.6 30.1 -55.3 -27.1 85.4 51.7 97.6 34 36 A L T > S+ 0 0 5 27,-2.1 3,-2.5 -3,-0.1 -1,-0.3 0.050 83.6 158.4-120.8 25.9 85.5 48.0 97.0 35 37 A K T < S- 0 0 150 -3,-2.0 28,-0.2 1,-0.3 27,-0.1 -0.302 79.0 -3.7 -57.8 118.3 83.7 46.8 100.2 36 38 A G T 3 S+ 0 0 72 26,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.434 112.6 116.2 79.7 -0.8 82.3 43.3 99.5 37 39 A K < - 0 0 92 -3,-2.5 27,-1.5 21,-0.1 2,-0.3 -0.507 47.5-156.5 -97.1 166.9 83.6 43.4 96.0 38 40 A S E -b 64 0A 27 25,-0.2 67,-2.2 -2,-0.2 68,-0.9 -0.960 10.3-152.1-144.4 160.7 86.3 41.3 94.3 39 41 A I E -bc 65 106A 1 25,-1.9 27,-2.7 -2,-0.3 2,-0.7 -0.994 14.9-139.9-133.8 136.9 88.7 41.2 91.5 40 42 A A E -bc 66 107A 0 66,-2.5 68,-3.0 -2,-0.4 2,-0.9 -0.894 14.9-157.6 -97.0 117.0 90.1 38.2 89.6 41 43 A L E -bc 67 108A 0 25,-2.9 27,-2.4 -2,-0.7 2,-0.8 -0.829 9.9-165.2 -98.1 98.8 93.8 38.6 88.9 42 44 A V E -bc 68 109A 3 66,-2.7 68,-2.6 -2,-0.9 2,-0.6 -0.765 5.2-171.6 -91.5 110.2 94.6 36.4 86.0 43 45 A F E + c 0 110A 10 25,-2.9 68,-0.1 -2,-0.8 4,-0.1 -0.877 22.8 171.3-106.5 117.9 98.3 35.8 85.5 44 46 A F S S+ 0 0 57 66,-2.6 67,-0.1 -2,-0.6 -1,-0.1 0.457 79.2 33.0 -97.2 -2.8 99.6 34.0 82.4 45 47 A N S S- 0 0 47 65,-0.3 65,-0.1 1,-0.1 -1,-0.0 -0.949 99.9 -76.7-145.2 162.1 103.2 35.0 83.5 46 48 A P + 0 0 101 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.029 47.1 175.7 -56.7 162.4 105.1 35.5 86.8 47 49 A S + 0 0 37 -4,-0.1 -4,-0.0 1,-0.1 63,-0.0 -0.913 25.6 168.2-169.8 141.0 104.8 38.7 88.9 48 50 A M S > S+ 0 0 110 -2,-0.3 4,-1.9 3,-0.1 5,-0.2 0.652 87.4 33.7-118.6 -58.4 105.9 40.1 92.2 49 51 A R H > S+ 0 0 54 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.938 121.0 46.7 -65.8 -49.7 105.0 43.8 92.3 50 52 A T H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.925 115.4 44.1 -62.4 -47.4 101.7 43.6 90.3 51 53 A R H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.956 118.4 44.5 -63.0 -49.4 100.3 40.6 92.2 52 54 A T H X S+ 0 0 63 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.946 115.2 46.0 -61.0 -50.8 101.3 42.0 95.6 53 55 A S H X S+ 0 0 13 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.906 116.2 44.8 -62.5 -42.4 100.1 45.6 94.9 54 56 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.933 113.7 49.6 -67.0 -44.4 96.7 44.5 93.4 55 57 A E H X S+ 0 0 76 -4,-2.5 4,-1.9 -5,-0.3 10,-0.3 0.935 116.3 42.1 -60.7 -44.8 96.0 42.0 96.1 56 58 A L H X S+ 0 0 77 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.864 111.0 56.4 -69.8 -37.1 96.8 44.5 98.9 57 59 A G H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.3 6,-0.2 0.900 107.9 47.7 -61.1 -41.9 94.9 47.3 97.1 58 60 A A H <>S+ 0 0 1 -4,-2.3 5,-3.0 1,-0.2 3,-0.5 0.928 113.3 49.3 -64.2 -45.2 91.7 45.2 97.0 59 61 A F H ><5S+ 0 0 146 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.923 108.1 52.2 -58.9 -47.7 92.2 44.3 100.7 60 62 A Q H 3<5S+ 0 0 18 -4,-2.9 -29,-2.5 1,-0.3 -1,-0.2 0.719 109.2 50.8 -65.0 -20.9 92.7 47.9 101.7 61 63 A L T 3<5S- 0 0 0 -4,-1.1 -27,-2.1 -3,-0.5 -1,-0.3 0.209 124.9-100.0-100.8 14.2 89.5 49.0 100.0 62 64 A G T < 5S+ 0 0 37 -3,-1.8 -26,-2.2 1,-0.2 -3,-0.2 0.550 89.1 106.8 83.1 7.7 87.4 46.3 101.7 63 65 A G < - 0 0 12 -5,-3.0 2,-0.3 -28,-0.2 -1,-0.2 -0.250 61.6-122.3-104.3-165.6 87.4 43.9 98.7 64 66 A H E -b 38 0A 123 -27,-1.5 -25,-1.9 -30,-0.1 2,-0.4 -0.992 9.8-147.7-146.4 133.4 89.2 40.6 97.9 65 67 A A E -b 39 0A 9 -2,-0.3 2,-0.6 -10,-0.3 -25,-0.2 -0.854 6.3-155.1-103.1 135.4 91.4 39.5 95.0 66 68 A V E -b 40 0A 57 -27,-2.7 -25,-2.9 -2,-0.4 2,-0.6 -0.950 14.3-147.3-107.8 119.8 91.4 35.9 93.7 67 69 A V E -b 41 0A 30 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.803 19.4-177.5 -94.6 121.7 94.7 35.0 92.1 68 70 A L E -b 42 0A 48 -27,-2.4 -25,-2.9 -2,-0.6 -2,-0.0 -0.929 16.0-168.0-120.9 141.3 94.5 32.6 89.1 69 71 A Q >>> - 0 0 69 -2,-0.4 3,-2.3 -27,-0.2 5,-1.9 -0.794 16.8-147.8-131.1 90.1 97.3 31.1 87.0 70 72 A P B 345S+e 74 0B 19 0, 0.0 5,-0.2 0, 0.0 -2,-0.0 -0.286 88.3 22.7 -56.7 133.4 96.0 29.3 83.8 71 73 A G T 345S+ 0 0 54 3,-1.9 4,-0.1 1,-0.1 -27,-0.1 0.246 129.0 52.3 91.1 -13.7 98.2 26.4 82.9 72 74 A K T <45S- 0 0 165 -3,-2.3 -1,-0.1 2,-0.1 -28,-0.0 0.660 133.3 -10.7-114.6 -80.1 99.3 26.2 86.5 73 75 A D T <5S+ 0 0 96 -4,-1.4 2,-0.2 2,-0.1 -5,-0.0 0.642 132.3 50.5 -98.9 -18.3 96.5 26.1 89.1 74 76 A A B > -f 78 0C 25 -2,-0.3 4,-2.3 -15,-0.2 3,-1.0 -0.653 22.1-124.5 -94.7 147.0 87.5 29.0 75.7 93 95 A I H 3> S+ 0 0 0 -15,-2.5 4,-2.7 -2,-0.3 5,-0.3 0.781 109.8 68.1 -57.2 -27.8 87.9 32.6 76.8 94 96 A A H 3> S+ 0 0 10 -16,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.933 109.8 34.4 -58.9 -44.0 84.2 33.1 75.8 95 97 A E H <> S+ 0 0 96 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.899 116.6 54.3 -77.0 -42.0 83.2 30.9 78.7 96 98 A V H X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.902 110.3 45.7 -59.2 -44.2 86.0 31.9 81.1 97 99 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.877 114.9 47.4 -67.6 -39.0 85.2 35.6 80.8 98 100 A R H < S+ 0 0 132 -4,-1.1 4,-0.4 -5,-0.3 -2,-0.2 0.899 113.5 48.0 -69.6 -41.3 81.5 35.0 81.3 99 101 A V H >X S+ 0 0 63 -4,-2.8 3,-2.1 1,-0.2 4,-0.6 0.960 112.7 46.8 -64.2 -52.3 82.0 32.7 84.2 100 102 A L H >X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.3 3,-1.7 0.882 105.5 62.8 -56.5 -37.1 84.4 35.0 86.0 101 103 A G H 3< S+ 0 0 14 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.644 99.6 53.4 -62.5 -16.9 81.9 37.8 85.3 102 104 A R H <4 S+ 0 0 215 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.548 118.7 35.3 -92.5 -10.3 79.3 35.9 87.4 103 105 A Y H << S+ 0 0 172 -3,-1.7 -2,-0.2 -4,-0.6 2,-0.2 0.830 115.3 37.9-106.0 -55.0 81.8 35.8 90.4 104 106 A V < - 0 0 10 -4,-2.7 -65,-0.2 1,-0.1 -1,-0.1 -0.512 59.0-139.4-103.1 170.2 83.9 39.0 90.5 105 107 A D S S+ 0 0 52 -67,-2.2 2,-0.3 1,-0.2 -66,-0.2 0.536 88.5 24.1-101.5 -12.8 83.4 42.7 89.8 106 108 A L E -c 39 0A 2 -68,-0.9 -66,-2.5 30,-0.2 2,-0.4 -0.987 63.4-151.9-150.5 151.4 86.7 43.3 88.0 107 109 A I E -cd 40 138A 0 30,-2.4 32,-2.8 -2,-0.3 2,-0.4 -0.986 6.5-166.3-132.6 123.6 89.2 41.3 86.0 108 110 A G E -cd 41 139A 0 -68,-3.0 -66,-2.7 -2,-0.4 2,-0.4 -0.837 11.8-163.8-103.3 144.9 92.9 42.0 85.8 109 111 A V E -cd 42 140A 0 30,-2.7 32,-2.7 -2,-0.4 2,-0.5 -0.977 14.5-174.7-139.8 128.7 94.9 40.2 83.1 110 112 A R E +c 43 0A 21 -68,-2.6 -66,-2.6 -2,-0.4 2,-0.3 -0.976 18.6 154.2-117.9 121.6 98.6 39.7 82.6 111 113 A A - 0 0 11 31,-1.7 16,-0.2 -2,-0.5 15,-0.1 -0.811 25.7-153.1-152.7 105.5 99.8 38.0 79.4 112 114 A F - 0 0 60 -2,-0.3 32,-0.1 1,-0.1 31,-0.1 -0.345 36.2 -90.1 -74.1 156.0 103.2 38.6 77.8 113 115 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.262 28.7-126.2 -64.1 157.3 103.8 38.1 74.1 114 116 A K - 0 0 146 3,-0.2 4,-0.1 -3,-0.1 -2,-0.1 0.709 30.0-137.8 -75.6 -22.3 104.8 34.6 72.9 115 117 A F S S+ 0 0 55 2,-0.1 144,-0.5 1,-0.0 3,-0.1 0.650 78.8 100.4 71.8 17.8 107.9 36.0 71.2 116 118 A V S S+ 0 0 106 1,-0.3 2,-0.3 142,-0.1 -1,-0.0 0.831 94.8 5.0 -96.6 -42.9 107.3 33.8 68.1 117 119 A D >> - 0 0 69 1,-0.1 4,-2.4 142,-0.1 3,-1.5 -0.870 54.9-161.0-149.0 109.5 105.7 36.3 65.8 118 120 A W H 3> S+ 0 0 18 -2,-0.3 4,-3.4 1,-0.3 5,-0.2 0.828 92.9 67.4 -57.6 -34.3 105.3 40.0 66.6 119 121 A S H 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.826 111.7 34.6 -56.6 -31.2 102.5 40.3 64.0 120 122 A K H X4 S+ 0 0 146 -3,-1.5 3,-1.0 2,-0.1 5,-0.5 0.849 116.9 52.1 -91.3 -39.2 100.5 38.0 66.2 121 123 A D H >< S+ 0 0 16 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.889 102.6 60.7 -64.1 -39.2 101.7 39.3 69.6 122 124 A R T 3< S+ 0 0 71 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.1 0.628 88.1 72.6 -65.8 -13.4 101.0 43.0 68.6 123 125 A E T < S- 0 0 103 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.707 94.0-141.2 -74.9 -17.9 97.3 42.2 68.2 124 126 A D <> + 0 0 12 -3,-1.8 4,-2.3 -4,-0.3 5,-0.2 0.927 34.0 171.5 59.7 46.2 97.0 41.9 72.0 125 127 A Q H > + 0 0 63 -5,-0.5 4,-2.2 1,-0.2 5,-0.2 0.866 66.2 50.3 -57.3 -46.0 94.6 39.0 71.6 126 128 A V H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.968 114.8 41.8 -60.6 -54.6 94.3 37.9 75.2 127 129 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 116.3 49.0 -59.4 -46.8 93.5 41.3 76.6 128 130 A K H X S+ 0 0 86 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.852 109.8 52.2 -62.8 -35.6 91.1 42.2 73.8 129 131 A S H X S+ 0 0 14 -4,-2.2 4,-2.3 -5,-0.2 5,-0.3 0.884 109.2 49.3 -69.3 -38.6 89.3 38.8 74.2 130 132 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.951 113.0 47.1 -64.5 -44.9 88.8 39.4 77.9 131 133 A A H < S+ 0 0 17 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.827 113.0 51.0 -64.7 -31.2 87.5 42.9 77.2 132 134 A K H < S+ 0 0 129 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.910 121.3 28.1 -73.3 -45.0 85.2 41.5 74.5 133 135 A Y H < S+ 0 0 39 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.657 96.7 99.8 -94.5 -17.7 83.6 38.7 76.4 134 136 A S < - 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