==== 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 05-APR-05 1ZA1 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.WANG,K.A.STIEGLITZ,J.P.CARDIA,E.R.KANTROWITZ . 924 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 75 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 2 3 3 3 2 2 0 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 3 4 6 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 PARALLEL BRIDGES PER LADDER . 1 2 4 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 2 2 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 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 A 0 0 86 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 165.1 37.0 45.8 -8.8 2 2 A N > - 0 0 26 304,-2.5 3,-1.6 303,-0.3 305,-0.0 -0.288 360.0-102.8 -65.9 157.6 35.5 42.8 -6.8 3 3 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.763 120.2 45.0 -52.3 -31.0 33.2 43.7 -3.9 4 4 A L T > S+ 0 0 0 302,-0.1 3,-2.5 15,-0.1 2,-0.1 0.470 78.8 137.1 -97.7 0.2 35.9 43.0 -1.2 5 5 A Y T < S- 0 0 86 -3,-1.6 298,-0.2 1,-0.3 299,-0.1 -0.222 84.9 -9.6 -53.3 119.2 38.8 44.8 -3.0 6 6 A Q T 3 S+ 0 0 65 297,-2.0 -1,-0.3 1,-0.2 2,-0.2 0.660 103.0 142.1 65.5 19.3 40.8 46.9 -0.5 7 7 A K < - 0 0 85 -3,-2.5 -1,-0.2 295,-0.1 2,-0.1 -0.613 53.2-119.0 -92.2 150.0 38.2 46.3 2.1 8 8 A H - 0 0 62 -2,-0.2 2,-0.4 115,-0.1 117,-0.2 -0.433 16.7-149.3 -77.8 158.7 38.9 45.7 5.8 9 9 A I B +a 125 0A 1 115,-2.6 117,-3.1 1,-0.1 127,-0.2 -0.775 44.3 134.0-135.3 86.7 37.8 42.3 7.3 10 10 A I + 0 0 4 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.832 61.8 18.1-102.1 -49.5 36.9 42.9 10.9 11 11 A S > - 0 0 0 1,-0.1 3,-1.7 123,-0.1 -1,-0.3 -0.979 56.7-133.4-136.5 145.9 33.6 41.3 11.8 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.816 109.2 65.6 -64.1 -26.8 31.4 38.6 10.4 13 13 A N G 3 S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.698 96.7 54.0 -68.0 -18.8 28.6 41.1 11.1 14 14 A D G < S+ 0 0 80 -3,-1.7 2,-0.5 2,-0.1 -1,-0.3 0.408 95.6 86.5 -92.3 -1.5 30.0 43.4 8.4 15 15 A L < - 0 0 6 -3,-1.5 2,-0.1 -4,-0.2 -6,-0.0 -0.888 70.0-146.4-105.6 129.3 30.0 40.6 5.9 16 16 A S > - 0 0 47 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.249 30.2-104.1 -82.8 171.9 26.9 39.9 3.8 17 17 A R H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.920 125.5 50.2 -61.8 -42.9 25.6 36.6 2.6 18 18 A D H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 109.5 51.2 -61.8 -44.2 26.9 37.5 -0.8 19 19 A D H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.966 109.5 49.3 -57.0 -53.2 30.3 38.4 0.6 20 20 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.881 113.7 47.6 -52.4 -40.5 30.5 35.1 2.5 21 21 A N H X S+ 0 0 52 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.867 108.5 53.4 -71.8 -35.8 29.6 33.3 -0.8 22 22 A L H X S+ 0 0 39 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.918 110.6 47.5 -66.3 -42.2 32.1 35.3 -2.8 23 23 A V H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.961 114.0 46.7 -63.8 -47.5 34.9 34.3 -0.4 24 24 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.898 113.0 48.3 -62.8 -39.6 33.8 30.6 -0.4 25 25 A A H X S+ 0 0 45 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.938 113.5 47.8 -66.6 -41.9 33.6 30.5 -4.2 26 26 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.907 110.8 52.0 -62.2 -40.3 37.0 32.2 -4.5 27 27 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.866 106.9 52.6 -65.6 -33.6 38.4 29.7 -2.0 28 28 A A H X S+ 0 0 43 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.891 109.5 50.2 -66.9 -40.7 37.0 26.8 -4.0 29 29 A K H X S+ 0 0 91 -4,-1.9 4,-3.8 2,-0.2 -2,-0.2 0.877 110.4 47.2 -65.6 -43.4 38.7 28.1 -7.1 30 30 A L H < S+ 0 0 6 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.852 110.8 52.6 -68.9 -36.6 42.1 28.5 -5.5 31 31 A K H < S+ 0 0 72 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.956 117.9 38.1 -61.0 -48.4 41.9 25.1 -4.0 32 32 A A H < S+ 0 0 72 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.930 133.3 22.3 -68.0 -51.0 41.2 23.7 -7.4 33 33 A N S < S- 0 0 118 -4,-3.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.772 82.3-151.5-126.0 90.4 43.5 25.9 -9.4 34 34 A P - 0 0 88 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.062 6.2-160.6 -55.2 151.0 46.4 27.4 -7.4 35 35 A Q > + 0 0 56 30,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.640 12.1 176.7-138.8 77.8 47.9 30.8 -8.3 36 36 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.519 80.3 45.5 -60.6 -10.1 51.3 31.0 -6.6 37 37 A E T > S+ 0 0 116 1,-0.1 3,-2.0 3,-0.1 29,-0.1 0.401 77.5 107.3-116.2 1.1 52.2 34.3 -8.2 38 38 A L T < S+ 0 0 42 -3,-1.7 29,-0.2 1,-0.3 -1,-0.1 0.870 93.3 26.7 -46.8 -47.0 48.9 36.1 -7.6 39 39 A L T > S+ 0 0 1 27,-2.7 3,-2.5 -4,-0.3 -1,-0.3 -0.007 84.8 154.3-109.5 30.5 50.3 38.4 -4.8 40 40 A K T < S+ 0 0 111 -3,-2.0 28,-0.2 1,-0.3 3,-0.1 -0.351 71.4 20.4 -55.4 135.9 53.9 38.3 -6.0 41 41 A H T 3 S+ 0 0 153 26,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.533 94.5 123.1 77.4 4.8 55.5 41.5 -4.8 42 42 A K < - 0 0 68 -3,-2.5 27,-2.8 25,-0.2 2,-0.5 -0.757 49.9-152.5 -92.2 150.2 52.9 42.1 -2.1 43 43 A V E -b 69 0A 45 -2,-0.3 57,-3.0 25,-0.2 58,-0.7 -0.984 11.7-166.0-123.3 120.6 54.4 42.4 1.4 44 44 A I E -bc 70 101A 0 25,-3.0 27,-2.8 -2,-0.5 2,-0.5 -0.849 15.2-138.0-110.9 140.2 52.1 41.4 4.3 45 45 A A E -bc 71 102A 2 56,-2.3 58,-3.1 -2,-0.4 2,-0.8 -0.843 9.4-161.4 -94.2 126.4 52.5 42.1 8.0 46 46 A S E -bc 72 103A 0 25,-2.8 27,-1.7 -2,-0.5 2,-0.9 -0.861 18.3-176.9-108.0 90.3 51.6 39.1 10.2 47 47 A C E +bc 73 104A 3 56,-3.1 58,-1.9 -2,-0.8 2,-1.2 -0.750 12.9 176.9 -99.7 93.7 51.1 40.9 13.6 48 48 A F E + c 0 105A 0 25,-2.8 58,-0.1 -2,-0.9 56,-0.1 -0.681 10.9 166.1-100.2 84.4 50.4 38.6 16.4 49 49 A F S S+ 0 0 11 56,-1.7 27,-2.1 -2,-1.2 2,-0.5 0.813 85.8 43.2 -60.9 -31.2 50.2 40.9 19.5 50 50 A E S S- 0 0 60 55,-1.0 -1,-0.2 -3,-0.2 55,-0.1 -0.986 104.4-121.2-116.5 124.1 48.6 37.8 21.0 51 51 A A + 0 0 50 -2,-0.5 -2,-0.1 23,-0.1 23,-0.1 -0.298 39.8 160.6 -66.6 147.9 50.5 34.6 20.0 52 52 A S > - 0 0 20 -4,-0.1 4,-3.5 1,-0.1 5,-0.3 -0.398 14.0-174.7-169.8 80.3 48.7 31.8 18.2 53 53 A T H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.840 85.2 50.0 -48.3 -48.1 51.0 29.5 16.4 54 54 A R H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.962 117.5 39.3 -61.4 -48.7 48.3 27.5 14.7 55 55 A T H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.867 115.5 51.2 -69.2 -37.2 46.5 30.6 13.4 56 56 A R H X S+ 0 0 47 -4,-3.5 4,-2.9 2,-0.2 5,-0.2 0.945 112.5 45.9 -66.2 -47.1 49.6 32.5 12.5 57 57 A L H X S+ 0 0 84 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.905 110.9 52.5 -62.3 -46.1 51.1 29.5 10.5 58 58 A S H X S+ 0 0 17 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.988 114.2 43.5 -52.4 -57.1 47.9 28.9 8.7 59 59 A F H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.868 114.3 48.6 -57.3 -43.0 47.7 32.6 7.6 60 60 A E H X S+ 0 0 38 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.886 107.9 54.4 -70.5 -33.3 51.4 32.8 6.7 61 61 A T H X S+ 0 0 57 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.956 107.5 51.9 -63.2 -43.7 51.2 29.7 4.6 62 62 A S H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.855 107.9 51.9 -61.4 -34.1 48.3 31.3 2.7 63 63 A M H ><>S+ 0 0 0 -4,-1.6 5,-2.6 -5,-0.2 3,-0.9 0.953 113.6 43.8 -65.1 -46.6 50.4 34.4 2.1 64 64 A H H ><5S+ 0 0 102 -4,-2.5 3,-2.6 1,-0.2 -2,-0.2 0.908 103.7 62.4 -68.0 -39.4 53.1 32.3 0.6 65 65 A R H 3<5S+ 0 0 158 -4,-3.2 -30,-0.3 1,-0.3 -1,-0.2 0.721 109.3 44.1 -60.7 -14.9 50.9 30.0 -1.4 66 66 A L T <<5S- 0 0 0 -3,-0.9 -27,-2.7 -4,-0.7 -1,-0.3 0.357 122.6-111.2-104.8 1.0 49.9 33.2 -3.3 67 67 A G T < 5 + 0 0 26 -3,-2.6 -26,-0.6 1,-0.2 -3,-0.2 0.622 66.1 144.8 81.9 15.5 53.5 34.3 -3.5 68 68 A A < - 0 0 3 -5,-2.6 2,-0.2 -28,-0.2 -1,-0.2 -0.468 48.0-119.5 -84.3 161.0 53.5 37.3 -1.1 69 69 A S E -b 43 0A 65 -27,-2.8 -25,-3.0 -30,-0.3 2,-0.4 -0.635 28.6-146.2 -95.3 157.2 56.4 38.2 1.2 70 70 A V E +b 44 0A 35 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.980 21.4 173.2-133.6 135.3 55.8 38.3 4.9 71 71 A V E +b 45 0A 75 -27,-2.8 -25,-2.8 -2,-0.4 2,-0.3 -0.961 30.1 104.5-131.7 151.3 57.1 40.3 7.8 72 72 A G E -b 46 0A 52 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.989 44.6-115.1 174.4-163.2 55.9 40.1 11.4 73 73 A F E -b 47 0A 56 -27,-1.7 -25,-2.8 -2,-0.3 2,-0.2 -0.965 15.7-142.5-162.4 162.9 56.1 39.2 15.0 74 74 A S + 0 0 50 1,-0.3 -23,-0.1 -2,-0.3 -25,-0.1 -0.669 64.7 13.5-124.4 178.1 54.3 37.0 17.6 75 75 A D - 0 0 97 -2,-0.2 2,-1.1 1,-0.2 -1,-0.3 0.691 60.2-145.8 12.6 112.7 53.5 37.3 21.3 76 76 A S + 0 0 9 -27,-2.1 -1,-0.2 1,-0.2 -27,-0.1 -0.628 30.3 164.9 -98.0 73.8 54.0 40.8 22.5 77 77 A A S S- 0 0 74 -2,-1.1 -1,-0.2 6,-0.0 -2,-0.1 0.523 91.6 -23.5 -65.4 -2.9 55.1 40.0 26.1 78 78 A N S S- 0 0 91 -3,-0.1 6,-1.0 3,-0.1 3,-0.2 -0.033 80.3-176.6-165.7 -75.8 56.2 43.6 25.9 79 79 A T > - 0 0 30 1,-0.2 5,-1.0 -4,-0.1 6,-0.4 0.755 34.5-124.0 58.5 125.2 56.7 45.1 22.3 80 80 A S T 5S+ 0 0 104 1,-0.2 -1,-0.2 4,-0.1 2,-0.1 -0.060 100.8 49.7 -86.4 31.7 58.0 48.7 22.0 81 81 A L T 5S+ 0 0 50 -3,-0.2 -1,-0.2 5,-0.1 6,-0.1 -0.497 113.0 13.7-171.1 93.2 54.9 49.4 19.8 82 82 A G T 5S+ 0 0 3 4,-0.8 6,-0.2 -3,-0.1 5,-0.1 0.638 121.7 21.1 116.5 16.9 51.4 48.5 20.8 83 83 A K T 5S+ 0 0 114 3,-0.5 -4,-0.1 -4,-0.3 -3,-0.1 0.164 113.7 40.2-168.5 -61.9 51.2 47.6 24.5 84 84 A K S - 0 0 32 -5,-0.1 4,-1.8 1,-0.1 -4,-0.1 -0.384 21.6-118.2 -72.9 159.4 49.6 53.2 21.5 88 88 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.908 116.6 63.7 -60.9 -40.5 48.3 50.5 19.1 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 105.1 42.5 -50.3 -47.1 47.3 53.5 17.0 90 90 A D H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.847 110.5 56.4 -71.1 -35.1 50.9 54.6 16.5 91 91 A T H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.953 112.7 41.3 -59.6 -51.5 52.1 51.0 15.9 92 92 A I H X S+ 0 0 3 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.937 110.2 57.9 -64.1 -44.1 49.6 50.7 13.1 93 93 A S H < S+ 0 0 39 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.923 114.4 38.9 -51.7 -45.4 50.4 54.2 11.8 94 94 A V H >< S+ 0 0 53 -4,-2.4 3,-2.3 1,-0.2 4,-0.5 0.984 116.6 49.2 -67.5 -55.8 54.0 53.1 11.4 95 95 A I H >X S+ 0 0 19 -4,-3.0 4,-1.7 1,-0.3 3,-1.2 0.798 103.1 62.4 -55.7 -33.2 53.3 49.6 10.2 96 96 A S T 3< S+ 0 0 19 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.628 95.9 59.7 -71.8 -11.2 50.9 50.8 7.5 97 97 A T T <4 S+ 0 0 109 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.650 111.0 41.9 -86.7 -12.1 53.7 52.8 5.9 98 98 A Y T <4 S+ 0 0 160 -3,-1.2 -2,-0.2 -4,-0.5 2,-0.2 0.835 108.8 47.3 -99.0 -40.0 55.6 49.5 5.3 99 99 A V < - 0 0 7 -4,-1.7 -55,-0.2 1,-0.1 3,-0.1 -0.574 63.7-131.4-111.6 172.0 53.2 46.8 4.1 100 100 A D S S- 0 0 63 -57,-3.0 2,-0.3 1,-0.3 -56,-0.2 0.576 93.0 -0.9 -90.7 -18.2 50.3 46.1 1.7 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.3 21,-0.2 2,-0.5 -0.962 65.6-135.0-165.3 158.4 48.0 44.6 4.3 102 102 A I E -cd 45 124A 1 21,-2.5 23,-3.0 -2,-0.3 2,-0.5 -0.985 8.7-166.7-127.0 127.7 48.0 43.8 7.9 103 103 A V E +cd 46 125A 0 -58,-3.1 -56,-3.1 -2,-0.5 2,-0.4 -0.952 26.7 178.3-106.7 128.4 46.8 40.5 9.4 104 104 A M E -cd 47 126A 1 21,-2.4 23,-3.4 -2,-0.5 24,-0.5 -0.993 28.9-171.0-144.4 145.0 46.5 40.9 13.2 105 105 A R E +cd 48 128A 30 -58,-1.9 -56,-1.7 -2,-0.4 -55,-1.0 -0.971 20.6 174.3-124.3 137.0 45.5 39.1 16.4 106 106 A H E - d 0 129A 5 22,-2.9 24,-2.1 -2,-0.4 6,-0.1 -0.971 37.8-129.0-146.0 152.9 45.2 41.1 19.6 107 107 A P S S+ 0 0 55 0, 0.0 2,-0.5 0, 0.0 24,-0.2 0.642 87.3 78.7 -80.3 -12.2 44.1 40.3 23.2 108 108 A Q S > S- 0 0 50 22,-0.2 3,-1.7 23,-0.0 316,-0.2 -0.835 85.4-115.5-103.7 133.9 41.8 43.3 23.4 109 109 A E T 3 S+ 0 0 10 -2,-0.5 316,-2.8 314,-0.4 342,-0.3 -0.344 100.6 23.3 -60.0 136.7 38.3 43.5 21.8 110 110 A G T 3> S+ 0 0 0 19,-0.3 4,-2.4 340,-0.3 -1,-0.2 0.328 82.1 125.6 87.8 -4.4 38.0 46.1 19.0 111 111 A A H <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.2 5,-0.1 0.894 74.5 46.1 -54.3 -45.5 41.8 46.1 18.3 112 112 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.872 111.7 50.6 -68.0 -38.3 41.4 45.4 14.6 113 113 A R H > S+ 0 0 46 1,-0.2 4,-0.8 337,-0.2 -1,-0.2 0.882 110.3 51.2 -65.0 -38.8 38.6 48.0 14.1 114 114 A L H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-0.2 0.901 107.0 53.2 -63.9 -41.0 40.9 50.5 15.8 115 115 A A H >X S+ 0 0 0 -4,-1.9 3,-2.5 1,-0.3 4,-1.2 0.892 98.3 64.8 -60.0 -41.8 43.8 49.7 13.5 116 116 A T H 3< S+ 0 0 27 -4,-1.8 4,-0.3 1,-0.3 3,-0.3 0.830 97.0 57.2 -49.4 -35.4 41.5 50.2 10.5 117 117 A E T << S+ 0 0 75 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.491 116.2 34.1 -79.9 -2.3 41.3 54.0 11.6 118 118 A F T <4 S+ 0 0 57 -3,-2.5 -2,-0.2 -4,-0.2 -1,-0.2 0.416 98.2 78.6-130.6 1.9 45.0 54.4 11.4 119 119 A S S >< S- 0 0 1 -4,-1.2 3,-2.4 -3,-0.3 -2,-0.1 0.511 71.5-163.0 -93.2 0.9 46.1 52.1 8.5 120 120 A G T 3 S- 0 0 61 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 -0.336 73.5 -7.1 57.1-125.0 45.0 54.5 5.7 121 121 A N T 3 S+ 0 0 128 -2,-0.1 -1,-0.3 -25,-0.1 -2,-0.0 0.457 110.9 107.0 -82.0 2.8 44.8 52.6 2.4 122 122 A V < - 0 0 3 -3,-2.4 -21,-0.2 -6,-0.1 -3,-0.1 -0.729 69.5-132.7 -89.4 117.3 46.2 49.4 4.0 123 123 A P - 0 0 2 0, 0.0 -21,-2.5 0, 0.0 2,-0.5 -0.329 15.7-149.5 -63.6 145.0 43.6 46.7 4.6 124 124 A V E - d 0 102A 0 -23,-0.2 -115,-2.6 -21,-0.0 2,-0.5 -0.980 5.4-160.6-123.0 127.9 43.4 45.0 8.0 125 125 A L E -ad 9 103A 0 -23,-3.0 -21,-2.4 -2,-0.5 2,-0.6 -0.941 20.0-130.6-107.3 126.9 42.3 41.5 8.4 126 126 A N E + d 0 104A 1 -117,-3.1 10,-0.8 -2,-0.5 -21,-0.2 -0.676 25.4 177.3 -79.2 113.8 41.2 40.5 11.9 127 127 A A E S- 0 0 0 -23,-3.4 -22,-0.2 -2,-0.6 -1,-0.1 0.227 74.2 -39.7 -95.4 5.7 42.9 37.2 13.0 128 128 A G E - d 0 105A 0 -24,-0.5 -22,-2.9 -118,-0.1 2,-0.4 -0.026 50.3-158.4 136.8 123.3 41.2 37.5 16.5 129 129 A D E > - d 0 106A 0 4,-1.8 3,-1.9 1,-0.2 4,-0.4 -0.740 55.5 -75.1-132.4 90.5 40.4 40.4 18.9 130 130 A G T 3 S- 0 0 14 -24,-2.1 -1,-0.2 -2,-0.4 -22,-0.2 -0.353 102.4 -28.0 60.8-138.5 39.8 39.3 22.5 131 131 A S T 3 S+ 0 0 48 -24,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.081 126.7 81.7 -95.7 25.6 36.4 37.7 22.9 132 132 A N S < S- 0 0 14 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.832 90.5 -7.7 -93.8 -90.7 35.0 39.6 20.0 133 133 A Q + 0 0 16 -4,-0.4 -4,-1.8 -123,-0.1 -1,-0.3 -0.751 31.2 174.7-115.0 161.3 35.5 38.4 16.4 134 134 A H >> + 0 0 5 -2,-0.3 4,-1.5 -6,-0.2 3,-1.3 -0.386 18.3 173.1-157.3 59.3 37.6 35.8 14.5 135 135 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.797 73.6 51.6 -40.4 -51.5 36.2 36.3 10.9 136 136 A T H 3> S+ 0 0 1 -10,-0.8 4,-1.7 1,-0.2 5,-0.1 0.772 105.1 55.8 -68.0 -26.2 38.6 33.9 9.1 137 137 A Q H <> S+ 0 0 15 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.901 110.4 46.4 -69.2 -39.0 37.9 31.0 11.5 138 138 A T H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.892 109.9 52.8 -71.6 -34.0 34.3 31.4 10.6 139 139 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.887 111.2 47.5 -67.5 -33.2 35.0 31.6 6.8 140 140 A L H X S+ 0 0 4 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.829 111.9 50.4 -73.4 -33.9 37.0 28.4 7.1 141 141 A D H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.949 113.7 44.0 -69.1 -47.5 34.1 26.8 9.1 142 142 A L H X S+ 0 0 0 -4,-2.8 4,-3.9 2,-0.2 5,-0.3 0.907 112.5 51.0 -64.4 -45.3 31.5 27.8 6.5 143 143 A F H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.925 112.7 48.8 -58.6 -39.9 33.6 26.8 3.6 144 144 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.937 113.6 45.0 -68.0 -42.4 34.1 23.5 5.4 145 145 A I H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 6,-0.4 0.975 114.8 48.4 -64.9 -47.8 30.3 23.2 6.0 146 146 A Q H X S+ 0 0 50 -4,-3.9 4,-1.4 1,-0.2 -2,-0.2 0.899 111.4 49.8 -58.3 -41.2 29.5 24.1 2.4 147 147 A E H < S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.882 117.7 37.5 -68.8 -37.1 32.0 21.7 0.9 148 148 A T H < S+ 0 0 31 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.556 127.1 35.2 -92.1 -8.9 30.9 18.7 2.9 149 149 A Q H < S- 0 0 23 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.390 99.0-126.3-121.0 -3.2 27.1 19.4 2.8 150 150 A G S < S+ 0 0 65 -4,-1.4 2,-0.3 -5,-0.3 -4,-0.2 0.309 82.6 36.1 74.0 -12.1 26.8 20.9 -0.6 151 151 A R - 0 0 98 -6,-0.4 -2,-0.2 1,-0.0 -3,-0.1 -0.950 62.1-136.6-158.6 178.8 25.2 24.0 1.0 152 152 A L S S+ 0 0 3 -2,-0.3 2,-0.3 -3,-0.0 3,-0.2 0.044 81.6 81.5-125.9 12.1 24.8 26.5 3.8 153 153 A D S S+ 0 0 37 1,-0.2 28,-0.2 26,-0.1 -2,-0.0 -0.847 89.8 14.2-119.1 158.9 20.9 26.5 4.0 154 154 A N S S+ 0 0 98 26,-3.3 2,-0.3 -2,-0.3 28,-0.2 0.906 87.0 149.2 41.8 58.9 18.5 24.1 5.6 155 155 A L - 0 0 0 -3,-0.2 28,-2.9 25,-0.1 2,-0.7 -0.842 49.4-132.0-119.2 155.5 21.1 22.4 7.7 156 156 A H E -e 183 0B 61 -2,-0.3 67,-2.9 26,-0.2 68,-1.6 -0.934 33.3-175.0-107.9 108.4 20.8 20.8 11.1 157 157 A V E -ef 184 224B 0 26,-2.9 28,-2.9 -2,-0.7 2,-0.4 -0.907 13.4-166.3-116.3 122.9 23.7 22.1 13.2 158 158 A A E -ef 185 225B 0 66,-3.0 68,-3.4 -2,-0.5 2,-0.4 -0.864 4.2-166.1-103.1 135.1 24.7 21.1 16.7 159 159 A M E -ef 186 226B 0 26,-2.5 28,-2.7 -2,-0.4 2,-0.3 -0.980 11.9-171.9-119.1 131.8 27.2 23.2 18.7 160 160 A V E +ef 187 227B 1 66,-2.5 68,-1.0 -2,-0.4 2,-0.4 -0.944 37.9 19.7-129.5 148.3 28.7 21.7 21.8 161 161 A G S S+ 0 0 0 26,-1.8 2,-1.5 -2,-0.3 3,-0.2 -0.866 109.6 11.4 111.9-133.8 30.9 22.9 24.7 162 162 A D > + 0 0 2 -2,-0.4 4,-1.7 67,-0.2 7,-0.2 -0.656 62.3 158.4 -90.1 81.8 31.5 26.4 26.0 163 163 A L T 4 + 0 0 0 -2,-1.5 30,-0.2 29,-1.3 -1,-0.2 0.727 68.2 65.0 -76.9 -18.5 28.8 28.2 24.0 164 164 A K T 4 S+ 0 0 84 28,-1.0 -1,-0.2 -3,-0.2 29,-0.1 0.980 117.8 15.5 -71.0 -53.1 29.0 31.0 26.5 165 165 A Y T 4 S+ 0 0 87 27,-0.1 2,-0.9 29,-0.0 -2,-0.2 0.642 91.3 112.2 -97.7 -15.5 32.5 32.2 26.0 166 166 A G X - 0 0 20 -4,-1.7 4,-1.8 1,-0.2 3,-0.4 -0.433 43.0-170.2 -65.6 102.1 33.5 30.7 22.6 167 167 A R H > S+ 0 0 34 -2,-0.9 4,-2.1 1,-0.2 -33,-0.2 0.845 85.6 61.4 -59.0 -32.5 33.7 33.7 20.2 168 168 A T H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 104.4 43.8 -61.6 -45.0 34.0 31.2 17.4 169 169 A V H > S+ 0 0 0 -3,-0.4 4,-1.9 -7,-0.2 -1,-0.2 0.828 110.9 57.2 -72.5 -29.0 30.6 29.5 18.0 170 170 A H H X S+ 0 0 18 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.943 111.4 41.3 -64.6 -43.3 29.0 33.0 18.4 171 171 A S H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.883 112.3 53.1 -72.0 -40.8 30.3 34.0 14.9 172 172 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.928 109.3 51.4 -61.1 -40.2 29.4 30.7 13.2 173 173 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.960 110.8 46.9 -60.7 -49.8 25.9 31.1 14.5 174 174 A Q H < S+ 0 0 29 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.829 114.4 47.9 -59.4 -37.3 25.6 34.6 13.2 175 175 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.938 111.8 47.3 -72.9 -46.8 27.0 33.6 9.8 176 176 A L H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.3 6,-0.2 0.798 104.5 64.0 -63.7 -25.1 24.8 30.6 9.5 177 177 A A T 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.600 89.7 66.4 -73.0 -13.2 21.9 32.8 10.5 178 178 A K T < S+ 0 0 49 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.507 98.4 65.6 -83.4 -9.8 22.3 34.9 7.3 179 179 A F S < S- 0 0 4 -3,-1.2 2,-0.3 -4,-0.3 3,-0.2 -0.531 93.5 -98.1-102.2 178.9 21.3 31.8 5.4 180 180 A D S S+ 0 0 91 -2,-0.2 -26,-3.3 1,-0.2 -25,-0.1 -0.760 83.2 5.5-109.7 149.5 17.9 30.2 5.4 181 181 A G S S+ 0 0 45 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.607 73.5 155.5 67.6 14.2 16.2 27.3 7.2 182 182 A N - 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