==== 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 09-DEC-09 3L06 . 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) . 14108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 14.2 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 . 20 6.0 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 2 3 0 0 0 1 0 1 2 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 3 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 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 0 142 0, 0.0 2,-0.5 0, 0.0 135,-0.1 0.000 360.0 360.0 360.0 129.0 81.7 49.6 80.0 2 4 A K + 0 0 91 329,-0.2 2,-0.2 135,-0.0 0, 0.0 -0.770 360.0 174.9 -95.6 127.5 84.9 51.3 81.0 3 5 A H - 0 0 37 -2,-0.5 2,-0.2 134,-0.2 136,-0.2 -0.529 32.1-129.1-114.8-177.8 88.2 49.4 81.2 4 6 A F B +a 139 0A 0 134,-2.7 136,-2.6 -2,-0.2 144,-0.1 -0.666 54.5 133.0-135.3 75.5 91.8 50.3 81.9 5 7 A L S S+ 0 0 26 1,-0.4 2,-0.3 134,-0.2 137,-0.1 0.821 77.4 1.3 -93.7 -37.3 93.8 48.7 79.1 6 8 A N > - 0 0 15 -3,-0.1 3,-0.6 1,-0.1 -1,-0.4 -0.988 60.1-127.7-149.2 151.2 95.9 51.7 78.2 7 9 A T G > S+ 0 0 0 -2,-0.3 3,-2.4 1,-0.2 8,-0.1 0.870 107.3 69.5 -67.3 -32.5 96.3 55.3 79.4 8 10 A Q G 3 S+ 0 0 34 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.845 89.1 60.7 -52.5 -38.5 95.8 56.3 75.8 9 11 A D G < S+ 0 0 96 -3,-0.6 2,-0.3 2,-0.0 -1,-0.3 0.647 98.1 78.7 -66.5 -12.2 92.1 55.3 75.9 10 12 A W S < S- 0 0 19 -3,-2.4 2,-0.1 -4,-0.3 -6,-0.0 -0.715 82.5-120.3-101.9 149.9 91.7 57.8 78.7 11 13 A S > - 0 0 50 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.422 29.5-112.0 -79.8 160.5 91.3 61.6 78.5 12 14 A R H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.809 117.6 58.2 -62.7 -29.3 93.9 63.8 80.2 13 15 A A H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 108.2 44.5 -67.0 -42.5 91.2 64.9 82.6 14 16 A E H > S+ 0 0 70 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.916 113.3 49.5 -68.1 -46.4 90.5 61.3 83.8 15 17 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.935 110.9 51.4 -57.3 -46.6 94.2 60.5 84.0 16 18 A D H X S+ 0 0 63 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.898 110.2 48.7 -56.8 -43.3 94.7 63.7 86.1 17 19 A A H X S+ 0 0 61 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.896 109.5 53.9 -65.0 -39.4 91.8 62.7 88.3 18 20 A L H X S+ 0 0 11 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.913 107.0 49.2 -61.5 -45.7 93.4 59.2 88.7 19 21 A L H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.841 112.0 50.3 -64.4 -31.4 96.8 60.6 89.8 20 22 A T H X S+ 0 0 88 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.866 109.4 47.5 -75.0 -38.4 95.1 62.8 92.4 21 23 A Q H X S+ 0 0 66 -4,-2.1 4,-3.5 2,-0.2 5,-0.2 0.826 111.5 54.4 -70.9 -28.6 93.0 60.0 93.9 22 24 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.973 107.3 48.4 -65.5 -51.9 96.3 58.1 93.9 23 25 A A H < S+ 0 0 41 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.831 114.2 49.4 -54.2 -35.9 97.9 61.0 95.8 24 26 A L H >X S+ 0 0 73 -4,-1.8 3,-2.6 2,-0.2 4,-1.8 0.972 107.3 49.8 -69.1 -57.4 94.8 60.8 98.1 25 27 A F H 3< S+ 0 0 6 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.796 106.1 61.3 -52.9 -26.5 94.9 57.1 98.7 26 28 A K T 3< S+ 0 0 59 -4,-2.0 -1,-0.3 -5,-0.2 3,-0.3 0.751 105.1 46.1 -73.4 -21.6 98.6 57.7 99.5 27 29 A R T <4 S+ 0 0 207 -3,-2.6 2,-0.3 -4,-0.5 -2,-0.2 0.795 129.5 22.6 -87.8 -31.5 97.5 60.0 102.4 28 30 A N < - 0 0 99 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.830 68.8-176.4-137.4 93.7 94.9 57.6 103.7 29 31 A K + 0 0 113 -2,-0.3 2,-0.3 -3,-0.3 -1,-0.1 0.857 62.5 74.2 -61.0 -38.9 95.6 54.0 102.6 30 32 A L + 0 0 127 31,-0.1 2,-0.3 2,-0.0 31,-0.2 -0.578 56.4 134.5 -86.1 140.4 92.4 52.5 104.2 31 33 A G - 0 0 31 29,-2.2 3,-0.1 -2,-0.3 -2,-0.0 -0.889 53.1-121.6-159.4-173.1 89.0 52.9 102.7 32 34 A S > + 0 0 81 -2,-0.3 3,-2.1 30,-0.1 29,-0.1 0.164 67.9 118.5-130.8 18.7 85.8 51.0 101.8 33 35 A E T 3 S+ 0 0 85 1,-0.3 29,-0.1 30,-0.0 -1,-0.1 0.685 91.3 35.4 -58.6 -17.2 85.6 51.7 98.1 34 36 A L T > S+ 0 0 6 27,-2.4 3,-2.1 24,-0.1 -1,-0.3 0.199 81.8 151.8-122.3 15.3 85.9 48.0 97.6 35 37 A K T < S- 0 0 152 -3,-2.1 28,-0.2 1,-0.3 27,-0.1 -0.262 81.1 -2.5 -51.7 123.1 84.0 46.8 100.7 36 38 A G T 3 S+ 0 0 72 26,-1.8 -1,-0.3 1,-0.2 27,-0.2 0.222 112.8 110.4 77.8 -14.2 82.5 43.4 99.8 37 39 A K < - 0 0 97 -3,-2.1 27,-1.0 21,-0.1 2,-0.3 -0.269 47.5-163.6 -86.0 176.9 83.9 43.5 96.3 38 40 A S E -b 64 0A 25 25,-0.3 67,-2.3 -3,-0.1 68,-1.0 -0.987 11.4-147.0-157.8 163.2 86.6 41.4 94.7 39 41 A I E -bc 65 106A 1 25,-1.9 27,-2.8 -2,-0.3 2,-0.7 -1.000 13.8-138.7-139.3 135.6 89.0 41.2 91.8 40 42 A A E -bc 66 107A 1 66,-2.5 68,-2.7 -2,-0.4 2,-0.9 -0.856 16.5-155.7 -97.3 115.2 90.5 38.2 89.9 41 43 A L E -bc 67 108A 0 25,-1.8 27,-3.1 -2,-0.7 2,-0.7 -0.801 9.1-164.2 -92.6 105.1 94.1 38.7 89.1 42 44 A V E -bc 68 109A 3 66,-3.4 68,-2.5 -2,-0.9 2,-0.5 -0.802 7.0-174.4 -97.1 112.7 95.0 36.5 86.1 43 45 A F E + c 0 110A 8 25,-2.7 68,-0.2 -2,-0.7 4,-0.1 -0.903 22.9 170.6-109.7 120.5 98.8 36.0 85.6 44 46 A F S S+ 0 0 61 66,-3.1 67,-0.1 -2,-0.5 -1,-0.1 0.287 78.9 35.0-103.8 8.6 100.2 34.1 82.6 45 47 A N S S- 0 0 41 65,-0.2 65,-0.0 66,-0.1 -1,-0.0 -0.960 100.0 -73.2-152.2 164.1 103.7 35.3 83.7 46 48 A P + 0 0 106 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.091 48.8 170.5 -60.5 161.1 105.7 36.0 86.9 47 49 A S + 0 0 35 -4,-0.1 -4,-0.0 3,-0.1 63,-0.0 -0.915 23.8 164.2-171.7 141.8 105.1 39.0 89.1 48 50 A M S > S+ 0 0 102 -2,-0.3 4,-2.6 3,-0.1 5,-0.2 0.593 85.2 36.7-123.9 -63.4 106.1 40.4 92.4 49 51 A R H > S+ 0 0 55 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.939 121.2 45.4 -58.8 -51.9 105.2 44.1 92.6 50 52 A T H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.947 115.0 46.8 -58.7 -52.4 102.0 43.8 90.6 51 53 A R H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.947 118.3 41.9 -55.5 -51.2 100.7 40.8 92.4 52 54 A T H X S+ 0 0 58 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.920 113.2 48.9 -66.6 -47.9 101.5 42.2 95.8 53 55 A S H X S+ 0 0 13 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.2 0.821 116.3 44.9 -65.8 -28.7 100.3 45.8 95.3 54 56 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 5,-0.3 0.946 111.1 51.4 -77.3 -50.2 97.0 44.6 93.9 55 57 A E H X S+ 0 0 76 -4,-2.5 4,-1.0 -5,-0.3 10,-0.3 0.846 117.8 40.1 -54.9 -35.3 96.4 42.0 96.5 56 58 A L H X S+ 0 0 70 -4,-2.1 4,-3.6 2,-0.2 -1,-0.2 0.858 109.6 57.6 -81.3 -39.6 97.0 44.6 99.2 57 59 A G H X S+ 0 0 0 -4,-1.7 4,-0.7 -5,-0.3 6,-0.2 0.900 108.0 48.2 -57.6 -41.9 95.2 47.4 97.5 58 60 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.5 0.896 114.0 46.9 -65.9 -40.3 92.0 45.3 97.4 59 61 A F H ><5S+ 0 0 147 -4,-1.0 3,-1.5 -5,-0.3 -2,-0.2 0.910 108.5 54.4 -67.7 -41.9 92.5 44.4 101.1 60 62 A Q H 3<5S+ 0 0 16 -4,-3.6 -29,-2.2 1,-0.3 -1,-0.2 0.643 111.0 48.3 -67.9 -11.3 93.1 48.0 102.0 61 63 A L T <<5S- 0 0 0 -4,-0.7 -27,-2.4 -3,-0.5 -1,-0.3 0.213 122.0-100.0-112.5 13.6 89.8 48.9 100.4 62 64 A G T < 5S+ 0 0 35 -3,-1.5 -26,-1.8 1,-0.3 -3,-0.2 0.445 90.0 107.7 85.2 -2.3 87.6 46.3 101.9 63 65 A G < - 0 0 13 -5,-2.5 2,-0.3 -28,-0.2 -1,-0.3 -0.192 62.4-125.4 -95.0-167.2 87.7 44.0 98.9 64 66 A H E -b 38 0A 121 -27,-1.0 -25,-1.9 -30,-0.1 2,-0.4 -0.988 9.8-145.8-145.3 130.9 89.4 40.7 98.2 65 67 A A E -b 39 0A 11 -2,-0.3 2,-0.6 -10,-0.3 -25,-0.2 -0.800 6.1-159.9 -99.4 138.6 91.8 39.7 95.5 66 68 A V E -b 40 0A 59 -27,-2.8 -25,-1.8 -2,-0.4 2,-0.4 -0.949 13.9-149.6-117.3 108.1 91.7 36.1 94.1 67 69 A V E -b 41 0A 32 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.630 16.1-175.5 -81.9 132.5 95.0 35.3 92.3 68 70 A L E -b 42 0A 44 -27,-3.1 -25,-2.7 -2,-0.4 -2,-0.0 -0.989 14.5-170.2-130.2 136.6 94.8 32.9 89.4 69 71 A Q >> - 0 0 63 -2,-0.4 3,-3.2 -27,-0.2 4,-1.7 -0.771 21.5-142.1-127.0 85.6 97.7 31.4 87.4 70 72 A P T 34 S+ 0 0 19 0, 0.0 5,-0.2 0, 0.0 -2,-0.0 -0.196 90.9 23.9 -47.0 126.8 96.3 29.5 84.3 71 73 A G T 34 S+ 0 0 54 3,-2.6 4,-0.1 1,-0.1 -27,-0.1 0.025 124.4 53.4 102.5 -27.8 98.6 26.5 83.9 72 74 A K T <4 S- 0 0 165 -3,-3.2 -1,-0.1 3,-0.1 3,-0.1 0.831 136.4 -15.4-101.0 -59.3 99.7 26.4 87.5 73 75 A D S < S+ 0 0 90 -4,-1.7 -5,-0.1 2,-0.1 2,-0.1 0.775 128.1 54.6-110.9 -53.6 96.4 26.3 89.5 74 76 A A S S- 0 0 27 -5,-0.3 -3,-2.6 1,-0.1 -2,-0.0 -0.317 97.1 -89.5 -78.7 167.1 93.7 27.4 87.1 75 77 A W - 0 0 162 -5,-0.2 -1,-0.1 -4,-0.1 -3,-0.1 -0.577 46.3 -99.5 -81.5 142.1 93.1 25.6 83.7 76 78 A P - 0 0 44 0, 0.0 14,-1.9 0, 0.0 15,-1.6 -0.317 42.3-133.0 -61.2 134.0 94.9 26.8 80.5 77 79 A I E -e 91 0B 19 12,-0.2 2,-0.4 13,-0.2 15,-0.2 -0.606 5.8-141.9 -98.2 152.0 92.8 29.0 78.3 78 80 A E E +e 92 0B 15 13,-2.6 15,-2.6 -2,-0.2 16,-0.3 -0.886 16.8 177.0-105.7 137.4 92.1 29.1 74.5 79 81 A F + 0 0 21 -2,-0.4 2,-0.2 13,-0.2 -1,-0.1 0.683 49.5 94.4-112.7 -25.7 91.8 32.5 72.8 80 82 A N S S- 0 0 76 1,-0.1 3,-0.3 2,-0.0 2,-0.1 -0.461 72.7-123.1 -72.7 139.9 91.4 31.6 69.1 81 83 A L S S+ 0 0 107 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.442 83.4 4.5 -83.1 153.9 87.8 31.4 67.8 82 84 A G S S+ 0 0 82 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.376 91.5 142.5 58.6 -8.6 86.2 28.4 66.1 83 85 A T - 0 0 72 -3,-0.3 2,-0.8 1,-0.1 -1,-0.2 -0.183 58.6-114.9 -58.3 156.5 89.3 26.5 66.8 84 86 A V - 0 0 108 -3,-0.1 2,-1.6 1,-0.0 -1,-0.1 -0.866 24.5-142.5-102.0 106.2 88.9 22.8 67.7 85 87 A M + 0 0 68 -2,-0.8 7,-0.0 1,-0.2 -7,-0.0 -0.489 60.7 118.3 -74.3 84.9 90.0 22.4 71.3 86 88 A D + 0 0 135 -2,-1.6 -1,-0.2 0, 0.0 4,-0.1 0.039 63.9 71.8-129.8 17.7 91.7 19.0 71.3 87 89 A G S S- 0 0 54 2,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.209 110.6 -54.9-106.2-132.2 95.2 20.3 72.3 88 90 A D S S+ 0 0 151 -11,-0.1 2,-0.4 -2,-0.0 -3,-0.1 0.694 102.6 96.9 -89.6 -20.5 96.5 21.7 75.5 89 91 A T - 0 0 34 1,-0.1 -2,-0.3 -14,-0.1 -12,-0.2 -0.565 50.4-174.0 -73.8 127.1 93.9 24.4 76.0 90 92 A V + 0 0 81 -14,-1.9 2,-0.3 -2,-0.4 -13,-0.2 0.823 62.4 12.5 -92.1 -37.8 91.2 23.2 78.3 91 93 A E E S-e 77 0B 70 -15,-1.6 -13,-2.6 -16,-0.0 2,-0.4 -0.937 74.4-110.5-138.5 165.5 88.6 26.1 78.2 92 94 A H E >> -e 78 0B 25 -2,-0.3 3,-2.5 -15,-0.2 4,-2.4 -0.777 19.8-126.9-102.9 139.2 87.9 29.2 76.2 93 95 A I H 3> S+ 0 0 0 -15,-2.6 4,-2.8 -2,-0.4 5,-0.4 0.778 108.4 68.9 -48.8 -28.7 88.2 32.8 77.3 94 96 A A H 3> S+ 0 0 13 -16,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.851 111.1 32.1 -61.9 -33.1 84.6 33.3 76.1 95 97 A E H <> S+ 0 0 87 -3,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.862 117.0 54.9 -89.7 -41.9 83.5 31.1 79.0 96 98 A V H X S+ 0 0 16 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.917 111.3 45.2 -59.1 -43.9 86.3 32.0 81.5 97 99 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.944 112.9 48.6 -65.8 -47.8 85.5 35.7 81.2 98 100 A R H < S+ 0 0 130 -4,-0.8 -1,-0.2 -5,-0.4 -2,-0.2 0.825 115.8 47.1 -62.7 -28.8 81.7 35.4 81.5 99 101 A V H >X S+ 0 0 64 -4,-2.1 3,-3.5 2,-0.2 4,-1.0 0.952 109.5 48.0 -77.9 -52.6 82.3 33.1 84.5 100 102 A L H >X S+ 0 0 17 -4,-2.9 4,-3.3 1,-0.3 3,-0.9 0.890 105.1 66.4 -54.3 -33.4 84.8 35.3 86.4 101 103 A G H 3< S+ 0 0 14 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.608 99.1 49.7 -62.2 -12.2 82.2 37.9 85.6 102 104 A R H <4 S+ 0 0 204 -3,-3.5 -1,-0.3 -5,-0.1 -2,-0.2 0.652 119.5 34.5 -99.4 -20.2 79.8 36.0 87.9 103 105 A Y H << S+ 0 0 182 -4,-1.0 -2,-0.2 -3,-0.9 2,-0.2 0.841 115.6 46.5-100.6 -44.0 82.2 35.8 90.8 104 106 A V < - 0 0 10 -4,-3.3 -65,-0.2 -5,-0.2 3,-0.1 -0.524 56.4-147.2-105.0 170.3 84.2 39.0 90.7 105 107 A D S S+ 0 0 54 -67,-2.3 2,-0.3 1,-0.2 -66,-0.2 0.550 88.4 23.6-102.1 -17.8 83.7 42.7 90.3 106 108 A L E -c 39 0A 2 -68,-1.0 -66,-2.5 30,-0.1 2,-0.4 -0.984 63.1-152.8-148.7 154.4 87.0 43.3 88.5 107 109 A I E -cd 40 138A 0 30,-1.9 32,-2.7 -2,-0.3 2,-0.4 -0.990 7.1-170.6-135.8 126.6 89.5 41.3 86.4 108 110 A G E -cd 41 139A 0 -68,-2.7 -66,-3.4 -2,-0.4 2,-0.4 -0.907 10.7-167.3-112.8 142.9 93.1 42.0 86.0 109 111 A V E -cd 42 140A 0 30,-2.4 32,-3.3 -2,-0.4 2,-0.4 -0.995 13.2-171.9-137.9 143.8 95.2 40.2 83.5 110 112 A R E +c 43 0A 21 -68,-2.5 -66,-3.1 -2,-0.4 2,-0.3 -0.985 18.5 153.2-133.2 118.7 99.0 39.8 82.8 111 113 A A - 0 0 13 31,-1.8 16,-0.1 -2,-0.4 15,-0.1 -0.766 26.2-153.8-152.4 100.7 100.2 38.1 79.7 112 114 A F - 0 0 53 -2,-0.3 32,-0.1 1,-0.1 31,-0.1 -0.302 39.7 -90.5 -67.4 156.0 103.6 38.9 78.1 113 115 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 -0.158 28.1-122.5 -62.5 167.2 104.0 38.2 74.4 114 116 A K - 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0 0 28 -26,-1.8 4,-1.9 -2,-0.3 5,-0.2 -0.606 30.5-112.0 -94.4 158.6 125.3 50.0 88.2 303 305 A D H > S+ 0 0 64 -2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.914 118.9 55.2 -53.5 -41.8 125.2 49.5 92.0 304 306 A A H > S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.967 105.3 49.7 -54.6 -59.4 126.1 53.1 92.4 305 307 A V H 4 S+ 0 0 4 -29,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.1 47.2 -50.0 -39.4 123.2 54.4 90.3 306 308 A M H < S+ 0 0 28 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.944 115.0 43.8 -70.8 -48.6 120.7 52.3 92.3 307 309 A D H < S+ 0 0 112 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.654 92.9 109.9 -71.2 -13.5 122.1 53.3 95.7 308 310 A S S >< S- 0 0 37 -4,-1.7 3,-2.0 -5,-0.3 -19,-0.1 -0.357 78.8-126.4 -63.3 141.0 122.2 56.8 94.4 309 311 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.680 107.2 67.4 -62.5 -16.3 119.6 59.1 96.0 310 312 A N T 3 S+ 0 0 41 -5,-0.1 -21,-2.0 -22,-0.1 2,-0.8 0.565 75.5 100.2 -81.3 -8.0 118.5 60.2 92.5 311 313 A C B < +j 289 0C 16 -3,-2.0 3,-0.3 -23,-0.2 -21,-0.2 -0.705 44.9 173.8 -80.1 111.0 117.2 56.7 92.0 312 314 A I > + 0 0 13 -23,-2.3 4,-3.0 -2,-0.8 5,-0.2 0.121 43.4 112.8-106.0 22.5 113.4 56.9 92.6 313 315 A A H > S+ 0 0 0 -24,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.846 76.1 53.2 -60.8 -36.1 112.6 53.3 91.5 314 316 A I H > S+ 0 0 123 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.896 112.7 42.6 -68.1 -40.9 111.6 52.4 95.0 315 317 A D H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.939 113.2 52.9 -69.5 -45.9 109.2 55.2 95.3 316 318 A E H X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.873 110.0 49.7 -55.5 -39.2 107.9 54.6 91.8 317 319 A A H >< S+ 0 0 19 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.934 108.8 51.3 -66.5 -46.8 107.3 51.0 92.8 318 320 A E H >X S+ 0 0 86 -4,-2.2 3,-1.9 1,-0.3 4,-0.7 0.888 101.7 61.1 -59.8 -38.8 105.5 51.9 95.9 319 321 A N H 3X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.3 3,-0.5 0.798 84.6 78.2 -59.1 -26.5 103.2 54.2 94.0 320 322 A R H S+ 0 0 25 -3,-1.9 4,-0.9 -4,-0.4 -1,-0.3 0.873 114.1 40.7 -73.9 -39.0 99.9 50.4 95.1 322 324 A H H X S+ 0 0 9 -4,-0.7 4,-1.5 -3,-0.5 -2,-0.2 0.895 115.4 49.7 -77.3 -41.6 98.4 53.9 95.2 323 325 A V H X S+ 0 0 3 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.927 111.2 49.8 -61.6 -47.1 97.9 54.3 91.5 324 326 A Q H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.4 -1,-0.2 0.761 106.1 55.4 -66.2 -27.0 96.2 50.9 91.2 325 327 A K H X S+ 0 0 0 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.871 107.8 50.4 -73.9 -34.0 93.8 51.6 94.1 326 328 A A H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.881 110.5 49.9 -68.7 -37.5 92.7 54.7 92.2 327 329 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.916 113.8 44.3 -68.3 -42.9 92.1 52.7 89.1 328 330 A M H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.985 112.6 49.5 -66.0 -54.8 90.1 50.1 90.9 329 331 A A H < S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 113.8 50.0 -50.5 -39.2 88.0 52.5 92.8 330 332 A A H < S+ 0 0 52 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.999 107.1 51.5 -62.6 -64.9 87.4 54.3 89.6 331 333 A L H < 0 0 20 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.663 360.0 360.0 -47.1 -27.2 86.3 51.3 87.5 332 334 A V < 0 0 84 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.845 360.0 360.0 -83.3 360.0 83.7 50.1 90.1