==== 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 (CARBAMOYL-P,ASPARTATE) 22-SEP-89 2AT1 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.GOUAUX,W.N.LIPSCOMB . 912 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 648 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 9.9 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 85 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 6 1 3 2 1 4 3 1 1 1 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 3 5 6 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 4 2 6 1 2 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 2 2 2 0 0 0 1 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 82 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 168.8 37.7 47.1 -8.9 2 2 A N > - 0 0 16 304,-1.8 3,-1.9 303,-0.3 305,-0.0 -0.164 360.0 -90.8 -70.9 168.8 36.1 44.1 -7.2 3 3 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.604 122.6 34.3 -59.5 -17.0 33.9 44.5 -4.1 4 4 A L T > S+ 0 0 1 298,-0.1 3,-1.3 302,-0.1 2,-0.1 0.153 77.1 138.5-123.6 18.1 36.8 44.1 -1.5 5 5 A Y T < S- 0 0 66 -3,-1.9 298,-0.2 1,-0.3 299,-0.2 -0.489 87.8 -6.0 -66.0 137.5 39.7 45.7 -3.3 6 6 A Q T 3 S+ 0 0 74 297,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.421 103.6 141.3 52.6 7.2 41.7 47.9 -0.7 7 7 A K < - 0 0 79 -3,-1.3 -1,-0.2 295,-0.1 2,-0.2 -0.577 52.7-127.3 -85.8 132.3 39.0 47.1 1.7 8 8 A H - 0 0 58 -2,-0.3 2,-0.6 -3,-0.1 117,-0.2 -0.473 11.6-149.4 -67.0 144.4 39.9 46.4 5.4 9 9 A I B +a 125 0A 1 115,-1.5 117,-2.7 -2,-0.2 127,-0.1 -0.828 42.9 138.3-116.2 87.5 38.6 43.0 6.9 10 10 A I + 0 0 4 -2,-0.6 2,-0.3 1,-0.3 119,-0.2 0.842 66.8 5.4 -97.7 -44.9 38.1 43.8 10.7 11 11 A S > - 0 0 0 123,-0.1 3,-1.6 1,-0.1 -1,-0.3 -0.997 57.4-127.9-142.9 150.3 34.7 42.1 11.6 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.846 106.1 72.9 -66.0 -28.6 32.1 39.9 10.0 13 13 A N G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.767 96.0 50.3 -58.9 -25.2 29.5 42.4 11.1 14 14 A D G < S+ 0 0 87 -3,-1.6 -1,-0.3 2,-0.0 2,-0.3 0.429 99.7 78.6 -90.5 4.9 30.8 44.8 8.4 15 15 A L < - 0 0 17 -3,-2.5 2,-0.2 -4,-0.2 -6,-0.0 -0.795 69.1-136.3-114.6 159.8 30.7 42.2 5.4 16 16 A S > - 0 0 45 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.724 30.1-105.9-105.5 168.8 27.6 41.1 3.4 17 17 A R H > S+ 0 0 79 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.865 123.7 60.0 -57.9 -29.7 26.5 37.7 2.2 18 18 A D H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.953 104.2 44.5 -69.4 -43.8 27.7 39.0 -1.1 19 19 A D H > S+ 0 0 14 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.885 113.7 50.5 -67.3 -34.1 31.3 39.5 0.0 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.933 111.3 49.6 -66.4 -43.5 31.4 36.1 1.8 21 21 A N H X S+ 0 0 62 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.862 110.2 49.0 -66.0 -37.7 30.1 34.5 -1.4 22 22 A L H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.994 111.4 51.3 -63.4 -54.0 32.6 36.2 -3.6 23 23 A V H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.764 113.1 43.8 -54.4 -38.3 35.5 35.1 -1.1 24 24 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -1,-0.3 0.933 112.5 52.6 -74.7 -41.4 34.4 31.5 -1.1 25 25 A A H X S+ 0 0 49 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.926 112.1 45.9 -56.4 -44.9 33.9 31.5 -5.0 26 26 A T H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.899 109.8 55.8 -62.3 -42.1 37.5 32.9 -5.4 27 27 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.897 106.9 48.7 -60.2 -37.7 38.7 30.3 -2.9 28 28 A A H X S+ 0 0 52 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.899 113.7 48.4 -69.3 -36.3 37.2 27.6 -5.1 29 29 A K H >X S+ 0 0 59 -4,-2.0 4,-2.5 -5,-0.2 3,-1.0 0.992 111.6 45.7 -65.1 -61.6 38.9 29.1 -8.2 30 30 A L H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.825 109.6 56.9 -51.1 -40.1 42.4 29.5 -6.7 31 31 A K H 3< S+ 0 0 87 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.867 114.8 39.0 -61.2 -35.0 42.2 25.9 -5.2 32 32 A A H << S+ 0 0 82 -4,-1.2 -2,-0.2 -3,-1.0 -1,-0.2 0.834 131.9 24.1 -79.9 -36.7 41.6 24.7 -8.7 33 33 A N S < S- 0 0 94 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.796 77.7-150.6-144.7 97.8 44.0 27.0 -10.5 34 34 A P - 0 0 77 0, 0.0 32,-0.1 0, 0.0 -3,-0.1 -0.249 3.3-151.2 -61.7 152.5 46.9 28.5 -8.5 35 35 A Q > - 0 0 41 30,-0.3 3,-2.7 1,-0.1 4,-0.2 -0.716 14.2-177.0-128.4 78.6 48.2 31.9 -9.5 36 36 A P T 3 S+ 0 0 80 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.639 84.9 35.7 -46.0 -31.7 51.9 31.8 -8.5 37 37 A E T > S+ 0 0 117 1,-0.1 3,-2.7 2,-0.1 29,-0.1 0.361 80.8 118.3-106.4 6.3 52.7 35.3 -9.4 38 38 A L T < S+ 0 0 33 -3,-2.7 29,-0.2 1,-0.3 -1,-0.1 0.741 93.7 20.3 -54.6 -28.1 49.3 36.8 -8.4 39 39 A L T > S+ 0 0 1 27,-3.0 3,-2.8 -4,-0.2 2,-0.5 0.037 85.1 155.6-126.6 25.5 50.8 39.1 -5.8 40 40 A K T < S+ 0 0 78 -3,-2.7 28,-0.2 1,-0.3 27,-0.1 -0.387 73.5 22.0 -56.9 107.6 54.4 39.1 -7.3 41 41 A H T 3 S+ 0 0 168 26,-0.8 2,-0.4 -2,-0.5 -1,-0.3 0.236 93.9 115.5 110.9 -3.7 55.9 42.4 -6.0 42 42 A K < - 0 0 53 -3,-2.8 27,-2.4 21,-0.1 2,-0.5 -0.741 49.9-156.6 -86.1 129.2 53.5 43.0 -3.0 43 43 A V E -b 69 0A 46 -2,-0.4 57,-3.3 25,-0.2 58,-0.5 -0.981 10.6-165.0-101.5 128.3 55.1 43.0 0.6 44 44 A I E -b 70 0A 0 25,-2.8 27,-1.7 -2,-0.5 2,-0.3 -0.870 16.1-132.4-108.4 135.9 52.6 42.1 3.5 45 45 A A E -bc 71 102A 2 56,-2.8 58,-2.1 -2,-0.4 2,-0.6 -0.685 13.6-159.6 -78.0 138.5 53.4 42.8 7.3 46 46 A S E +bc 72 103A 0 25,-2.6 27,-1.4 -2,-0.3 2,-0.7 -0.864 17.5 179.3-126.3 95.2 52.5 39.7 9.4 47 47 A C E +bc 73 104A 1 56,-2.8 58,-2.7 -2,-0.6 2,-0.8 -0.803 8.3 176.6-102.4 92.4 52.2 41.2 12.9 48 48 A F E + c 0 105A 1 25,-2.9 58,-0.1 -2,-0.7 4,-0.1 -0.825 14.7 171.7-105.7 109.8 51.3 38.9 15.7 49 49 A F S S+ 0 0 19 56,-2.3 2,-0.3 -2,-0.8 -1,-0.1 0.089 75.5 45.1 -87.2 16.4 51.2 40.4 19.2 50 50 A E S S- 0 0 37 56,-0.1 55,-0.1 55,-0.1 56,-0.0 -0.930 101.3 -71.1-151.0 176.9 49.7 37.0 20.4 51 51 A A + 0 0 82 -2,-0.3 2,-0.3 5,-0.0 -2,-0.1 -0.317 53.7 160.1 -79.3 154.9 50.4 33.3 20.0 52 52 A S + 0 0 27 22,-0.1 -4,-0.0 3,-0.1 53,-0.0 -0.930 28.4 158.5-169.4 152.4 49.7 31.5 16.8 53 53 A T S > S+ 0 0 84 -2,-0.3 4,-2.4 3,-0.0 5,-0.3 0.351 88.6 36.2-129.7 -75.3 50.5 28.4 14.8 54 54 A R H > S+ 0 0 82 2,-0.2 4,-2.1 3,-0.2 5,-0.4 0.889 122.0 38.2 -49.3 -60.9 47.5 28.1 12.3 55 55 A T H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.986 119.4 43.4 -68.1 -54.9 46.6 31.6 11.5 56 56 A R H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.891 119.5 43.0 -59.6 -44.1 50.1 33.2 11.3 57 57 A L H X S+ 0 0 83 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.869 114.8 46.2 -71.2 -39.2 51.6 30.3 9.3 58 58 A S H X S+ 0 0 15 -4,-2.1 4,-3.5 -5,-0.3 5,-0.2 0.940 114.8 51.2 -69.9 -38.2 48.7 29.7 6.8 59 59 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.4 5,-0.3 0.983 113.0 42.6 -60.0 -58.5 48.6 33.5 6.2 60 60 A Q H X S+ 0 0 37 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.746 116.3 50.3 -59.3 -24.6 52.4 33.7 5.6 61 61 A T H X S+ 0 0 53 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.952 110.5 48.7 -77.6 -46.2 52.1 30.5 3.4 62 62 A S H < S+ 0 0 0 -4,-3.5 4,-0.5 2,-0.2 6,-0.2 0.973 112.5 48.4 -54.6 -58.2 49.1 31.9 1.4 63 63 A M H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-1.2 0.887 115.7 45.4 -42.1 -49.0 51.1 35.2 0.8 64 64 A H H ><5S+ 0 0 109 -4,-1.3 3,-1.9 -5,-0.3 -1,-0.2 0.895 106.5 58.1 -67.1 -39.3 54.1 33.1 -0.3 65 65 A R T 3<5S+ 0 0 170 -4,-2.9 -30,-0.3 1,-0.3 -1,-0.3 0.393 109.5 46.1 -76.4 3.6 52.0 30.9 -2.5 66 66 A L T < 5S- 0 0 1 -3,-1.2 -27,-3.0 -4,-0.5 -1,-0.3 0.089 125.3 -97.5-119.6 12.3 50.9 34.0 -4.4 67 67 A G T < 5S+ 0 0 20 -3,-1.9 -26,-0.8 1,-0.2 -3,-0.2 0.515 76.0 141.0 87.4 3.7 54.4 35.5 -4.8 68 68 A A < - 0 0 2 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.393 47.1-128.1 -84.2 158.1 54.3 38.0 -1.9 69 69 A S E -b 43 0A 64 -27,-2.4 -25,-2.8 -30,-0.2 2,-0.4 -0.846 18.4-151.5-107.8 143.4 56.9 38.9 0.6 70 70 A V E +b 44 0A 33 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.923 18.9 168.3-117.0 130.5 56.3 38.8 4.3 71 71 A V E +b 45 0A 79 -27,-1.7 -25,-2.6 -2,-0.4 2,-0.3 -0.884 32.8 88.6-127.0 158.9 58.0 41.0 7.0 72 72 A G E -b 46 0A 52 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.989 59.8 -84.7 155.4-154.2 56.8 41.1 10.6 73 73 A F E -b 47 0A 40 -27,-1.4 -25,-2.9 -2,-0.3 3,-0.1 -0.994 4.0-156.2-154.5 149.0 57.0 39.6 14.1 74 74 A S S S+ 0 0 66 -2,-0.3 2,-0.3 1,-0.2 -22,-0.1 0.346 87.5 36.8-109.8 3.6 55.5 36.8 16.1 75 75 A D - 0 0 91 -26,-0.1 3,-0.4 1,-0.1 -1,-0.2 -0.992 65.2-145.2-152.8 140.9 56.1 38.3 19.4 76 76 A S S > S+ 0 0 39 -2,-0.3 3,-2.3 1,-0.2 6,-0.6 0.666 79.6 96.3 -84.8 -12.0 56.0 41.9 20.7 77 77 A A T 3 S+ 0 0 29 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.769 91.8 32.6 -49.6 -36.6 58.9 41.3 23.1 78 78 A N T 3 S+ 0 0 133 -3,-0.4 -1,-0.3 4,-0.1 2,-0.2 0.178 97.2 95.3-111.4 19.9 61.5 42.6 20.8 79 79 A T S <> S- 0 0 26 -3,-2.3 4,-1.7 1,-0.1 5,-0.3 -0.488 89.4-109.1 -91.2 172.8 59.6 45.3 18.9 80 80 A S H >>S+ 0 0 49 2,-0.2 4,-1.6 3,-0.2 5,-1.4 0.772 124.7 58.1 -72.0 -25.7 60.0 49.0 20.3 81 81 A L H 45S+ 0 0 39 4,-0.3 4,-0.5 3,-0.2 -1,-0.2 0.973 109.3 48.1 -59.6 -46.1 56.3 48.6 21.5 82 82 A G H 45S+ 0 0 31 -6,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 135.7 3.6 -63.3 -41.6 57.7 45.7 23.4 83 83 A K H <5S+ 0 0 141 -4,-1.7 -3,-0.2 -7,-0.2 -2,-0.2 0.686 128.0 49.0-122.3 -24.2 60.7 47.4 24.9 84 84 A K T <5S- 0 0 176 -4,-1.6 -3,-0.2 -5,-0.3 -4,-0.1 0.559 103.6-112.4 -98.7 -5.8 60.9 51.1 24.2 85 85 A G < + 0 0 65 -5,-1.4 -4,-0.3 -4,-0.5 2,-0.1 0.630 54.1 159.7 97.0 19.1 57.4 52.0 25.1 86 86 A E - 0 0 66 -6,-1.3 -1,-0.2 1,-0.1 2,-0.1 -0.364 37.9-110.9 -85.1 160.3 55.5 52.9 21.9 87 87 A T > - 0 0 44 1,-0.1 4,-1.9 -2,-0.1 3,-0.4 -0.401 22.0-120.9 -75.1 155.4 51.9 53.0 21.1 88 88 A L H > S+ 0 0 3 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.900 114.8 60.6 -57.2 -41.7 50.1 50.7 18.8 89 89 A A H > S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.843 106.2 45.1 -59.6 -35.6 49.1 53.7 16.8 90 90 A D H > S+ 0 0 81 -3,-0.4 4,-2.1 2,-0.2 5,-0.3 0.871 110.9 53.5 -85.9 -23.3 52.7 54.6 16.2 91 91 A T H X S+ 0 0 6 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.994 113.8 42.3 -60.8 -53.2 53.6 51.1 15.3 92 92 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.863 111.9 56.0 -58.4 -43.9 50.9 51.0 12.7 93 93 A S H X S+ 0 0 41 -4,-2.1 4,-0.5 -5,-0.3 -1,-0.2 0.937 113.2 38.5 -60.5 -48.4 51.7 54.5 11.5 94 94 A V H >< S+ 0 0 63 -4,-2.1 3,-1.6 1,-0.2 4,-0.2 0.928 116.1 53.5 -71.7 -33.8 55.4 53.7 10.7 95 95 A I H >X S+ 0 0 26 -4,-2.9 3,-1.5 1,-0.3 4,-1.3 0.838 97.9 63.9 -74.4 -20.3 54.5 50.3 9.4 96 96 A S H 3< S+ 0 0 20 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.729 95.2 61.6 -68.9 -18.8 52.0 51.7 7.0 97 97 A T T << S+ 0 0 110 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.499 111.0 37.2 -86.8 2.6 54.9 53.5 5.2 98 98 A Y T <4 S+ 0 0 160 -3,-1.5 2,-0.2 -4,-0.2 -2,-0.2 0.744 107.1 48.2-116.9 -38.1 56.6 50.1 4.3 99 99 A V < - 0 0 8 -4,-1.3 -55,-0.2 1,-0.1 -1,-0.1 -0.692 63.7-131.0-116.5 163.6 54.2 47.4 3.4 100 100 A D S S+ 0 0 71 -57,-3.3 2,-0.3 1,-0.3 -56,-0.2 0.570 90.3 6.8 -87.4 -17.8 51.2 46.9 1.2 101 101 A A - 0 0 1 -58,-0.5 -56,-2.8 21,-0.2 2,-0.4 -0.914 66.0-139.5-164.7 149.0 48.8 45.2 3.6 102 102 A I E -cd 45 124A 0 21,-2.5 23,-2.4 -2,-0.3 2,-0.5 -0.982 9.3-169.4-115.0 120.3 49.0 44.5 7.4 103 103 A V E +cd 46 125A 0 -58,-2.1 -56,-2.8 -2,-0.4 2,-0.4 -0.968 25.0 178.3-103.4 129.3 47.8 41.2 8.9 104 104 A M E -cd 47 126A 2 21,-1.9 23,-2.7 -2,-0.5 24,-0.6 -0.989 24.4-163.3-143.1 139.5 47.7 41.7 12.8 105 105 A R E +cd 48 128A 15 -58,-2.7 -56,-2.3 -2,-0.4 24,-0.2 -0.964 19.7 177.7-118.1 135.3 46.8 39.7 15.9 106 106 A H E - d 0 129A 15 22,-2.6 24,-2.6 -2,-0.4 -56,-0.1 -0.995 38.0-136.9-143.2 147.8 46.2 41.4 19.2 107 107 A P S S+ 0 0 43 0, 0.0 2,-0.5 0, 0.0 24,-0.2 0.418 86.9 77.7 -69.0 -3.5 45.2 40.6 22.8 108 108 A Q S > S- 0 0 46 22,-0.2 3,-1.9 23,-0.0 310,-0.2 -0.934 84.5-121.7-120.8 126.3 42.9 43.6 23.0 109 109 A E B 3 S+e 418 0B 7 308,-1.1 310,-2.6 -2,-0.5 336,-0.4 -0.408 99.4 30.3 -61.2 133.0 39.6 43.8 21.5 110 110 A G T 3> S+ 0 0 0 334,-0.4 4,-2.8 19,-0.3 -1,-0.2 0.241 79.0 121.8 99.4 -5.8 39.5 46.7 19.1 111 111 A A H <> S+ 0 0 0 -3,-1.9 4,-1.8 1,-0.2 -2,-0.1 0.854 74.5 47.1 -64.4 -35.3 43.1 46.6 18.0 112 112 A A H > S+ 0 0 1 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.959 113.7 47.8 -73.8 -41.0 42.6 46.1 14.2 113 113 A R H >> S+ 0 0 34 1,-0.2 4,-1.6 2,-0.2 3,-1.3 0.960 111.9 51.7 -59.7 -46.3 39.9 48.9 14.0 114 114 A L H 3< S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.3 -1,-0.2 0.886 108.9 52.0 -52.1 -41.5 42.3 51.1 16.0 115 115 A A H 3X S+ 0 0 0 -4,-1.8 4,-0.6 -5,-0.2 3,-0.3 0.641 100.5 59.9 -77.5 -14.5 44.9 50.2 13.4 116 116 A T H X< S+ 0 0 28 -3,-1.3 3,-1.2 -4,-1.1 4,-0.5 0.919 96.5 62.2 -77.7 -33.4 42.7 51.2 10.4 117 117 A E T 3< S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.677 118.6 27.4 -60.0 -18.5 42.5 54.7 11.8 118 118 A F T 34 S+ 0 0 59 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.361 98.5 84.6-121.6 0.3 46.3 55.0 11.4 119 119 A S S X< S- 0 0 0 -3,-1.2 3,-2.3 -4,-0.6 2,-0.2 0.484 75.2-159.9 -83.1 -6.1 47.0 52.6 8.5 120 120 A G T 3 - 0 0 57 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.0 -0.403 67.9 -17.4 69.1-122.1 46.2 55.3 6.0 121 121 A N T 3 S+ 0 0 140 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.440 113.0 103.6 -92.9 -7.3 45.4 53.7 2.7 122 122 A V S < S- 0 0 7 -3,-2.3 -21,-0.2 -6,-0.1 2,-0.2 -0.619 74.9-120.4 -75.2 134.6 47.0 50.3 3.6 123 123 A P - 0 0 0 0, 0.0 -21,-2.5 0, 0.0 2,-0.5 -0.487 16.6-149.0 -78.4 155.8 44.4 47.6 4.5 124 124 A V E - d 0 102A 0 -23,-0.2 -115,-1.5 -2,-0.2 2,-0.5 -0.980 6.9-162.1-121.5 114.7 44.4 45.8 7.9 125 125 A L E -ad 9 103A 2 -23,-2.4 -21,-1.9 -2,-0.5 2,-0.6 -0.946 22.4-127.6 -96.7 127.5 43.2 42.2 7.9 126 126 A N E - d 0 104A 1 -117,-2.7 10,-0.7 -2,-0.5 -21,-0.2 -0.568 24.3-176.8 -73.7 114.0 42.3 41.1 11.4 127 127 A A E S- 0 0 0 -23,-2.7 -22,-0.2 -2,-0.6 -1,-0.2 0.583 75.9 -46.1 -87.8 -2.3 43.9 37.9 12.5 128 128 A G E - d 0 105A 0 -24,-0.6 -22,-2.6 -118,-0.1 2,-0.8 -0.058 50.2-152.0 141.3 113.5 42.0 38.0 15.8 129 129 A D E > - d 0 106A 1 4,-1.8 3,-1.4 -24,-0.2 4,-0.4 -0.745 60.4 -70.3-106.9 86.4 41.5 41.0 18.1 130 130 A G T 3 S- 0 0 0 -24,-2.6 37,-0.2 -2,-0.8 -22,-0.2 -0.428 100.7 -30.4 74.5-134.4 41.1 39.6 21.6 131 131 A S T 3 S+ 0 0 11 -24,-0.2 -1,-0.3 -2,-0.1 39,-0.2 0.362 122.3 86.8-100.8 13.5 37.8 37.8 22.1 132 132 A N S < S- 0 0 0 -3,-1.4 2,-0.3 1,-0.2 39,-0.2 0.935 93.0 -19.0 -73.6 -82.9 36.0 39.9 19.7 133 133 A Q - 0 0 0 -4,-0.4 -4,-1.8 37,-0.1 -1,-0.2 -0.847 34.3-174.3-135.9 149.4 36.2 38.8 16.0 134 134 A H >> + 0 0 5 33,-0.7 4,-1.2 -2,-0.3 3,-1.0 -0.593 16.0 176.6-143.0 76.8 38.4 36.5 13.9 135 135 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -8,-0.1 0.791 74.4 53.7 -62.9 -32.7 37.0 37.1 10.3 136 136 A T H 3> S+ 0 0 1 -10,-0.7 4,-1.6 1,-0.2 5,-0.1 0.787 103.6 58.5 -75.9 -17.8 39.5 34.9 8.3 137 137 A Q H <> S+ 0 0 12 -3,-1.0 4,-1.8 2,-0.2 3,-0.4 0.965 104.6 51.2 -64.7 -54.1 38.7 31.9 10.5 138 138 A T H X S+ 0 0 0 -4,-1.2 4,-2.9 1,-0.2 5,-0.2 0.831 104.6 56.2 -56.7 -35.6 35.1 32.2 9.5 139 139 A L H X S+ 0 0 2 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.905 109.3 45.1 -70.0 -35.1 35.9 32.2 5.8 140 140 A L H X S+ 0 0 2 -4,-1.6 4,-2.4 -3,-0.4 -1,-0.2 0.803 113.5 52.2 -78.5 -20.3 37.8 28.9 6.0 141 141 A D H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.982 111.7 45.1 -70.8 -49.1 34.9 27.5 8.2 142 142 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.879 112.7 50.7 -62.0 -42.2 32.3 28.6 5.6 143 143 A F H X S+ 0 0 10 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.982 114.9 44.9 -60.3 -50.1 34.4 27.2 2.8 144 144 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.894 112.8 49.5 -65.8 -37.9 34.7 24.0 4.8 145 145 A I H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 6,-0.3 0.930 116.4 41.7 -61.5 -46.7 30.9 23.8 5.7 146 146 A Q H X S+ 0 0 65 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.934 111.5 57.2 -72.1 -36.0 29.8 24.4 2.0 147 147 A Q H < S+ 0 0 75 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.955 122.1 26.3 -58.2 -44.3 32.5 22.0 0.9 148 148 A T H < S+ 0 0 35 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.976 127.9 37.6 -90.6 -60.9 31.0 19.3 3.1 149 149 A E H < S- 0 0 20 -4,-2.0 2,-0.8 -5,-0.2 -1,-0.2 0.351 95.7-128.0 -74.1 11.6 27.3 20.1 3.5 150 150 A G S < S+ 0 0 63 -4,-0.9 2,-0.3 -5,-0.3 -1,-0.2 0.142 80.8 47.7 66.2 -24.4 26.8 21.3 -0.0 151 151 A R - 0 0 97 -2,-0.8 -2,-0.2 -6,-0.3 -3,-0.1 -0.843 57.8-149.2-142.1 173.1 25.1 24.6 1.3 152 152 A L S S+ 0 0 7 -2,-0.3 2,-0.4 -6,-0.1 3,-0.2 0.166 81.6 76.8-126.3 14.8 25.3 27.5 3.8 153 153 A D S S+ 0 0 43 1,-0.2 28,-0.2 26,-0.1 29,-0.1 -0.953 94.1 17.3-128.0 140.9 21.5 27.9 4.2 154 154 A N S S+ 0 0 101 26,-3.1 2,-0.3 -2,-0.4 28,-0.3 0.898 84.2 149.7 65.0 54.4 19.2 25.7 6.2 155 155 A L - 0 0 0 -3,-0.2 28,-3.6 25,-0.2 2,-0.7 -0.863 48.2-133.9-116.0 142.2 21.9 24.0 8.4 156 156 A H E -f 183 0C 50 -2,-0.3 67,-2.4 26,-0.2 68,-1.5 -0.917 31.6-174.9 -91.4 106.8 21.5 22.8 11.9 157 157 A V E -fg 184 224C 0 26,-3.3 28,-2.1 -2,-0.7 2,-0.6 -0.900 13.3-167.1-114.2 110.2 24.7 24.1 13.7 158 158 A A E -fg 185 225C 0 66,-2.0 68,-2.4 -2,-0.6 2,-0.7 -0.809 6.5-163.5 -89.5 113.9 25.5 23.1 17.3 159 159 A M E -fg 186 226C 0 26,-3.0 28,-1.8 -2,-0.6 2,-0.3 -0.874 14.0-172.8-101.5 110.9 28.4 25.4 18.8 160 160 A V E +fg 187 227C 2 66,-2.0 68,-1.6 -2,-0.7 2,-0.4 -0.774 38.7 22.9-102.5 137.1 29.7 23.7 21.9 161 161 A G S S+ 0 0 11 26,-2.5 2,-0.9 -2,-0.3 31,-0.1 -0.913 105.3 5.0 126.9-137.7 32.2 25.2 24.4 162 162 A D + 0 0 0 -2,-0.4 4,-0.2 1,-0.2 7,-0.2 -0.798 56.8 162.6 -95.5 105.7 33.4 28.6 25.4 163 163 A L + 0 0 2 29,-2.2 30,-0.2 -2,-0.9 -1,-0.2 0.740 65.5 66.8 -95.9 -23.9 31.1 31.0 23.5 164 164 A K S S+ 0 0 74 28,-1.2 29,-0.1 1,-0.2 -1,-0.1 0.992 117.9 21.7 -57.5 -54.9 31.8 34.1 25.7 165 165 A Y S S+ 0 0 30 27,-0.1 2,-1.6 1,-0.0 -1,-0.2 0.415 90.0 118.9 -97.5 -1.3 35.4 34.4 24.7 166 166 A G > - 0 0 3 -4,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.507 35.1-178.8 -71.8 90.7 35.2 32.5 21.4 167 167 A R H > S+ 0 0 18 -2,-1.6 4,-2.0 -37,-0.2 -33,-0.7 0.914 85.8 57.0 -53.6 -32.7 36.3 35.2 18.9 168 168 A T H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.950 108.3 40.4 -62.5 -56.7 35.7 32.2 16.4 169 169 A V H > S+ 0 0 0 -7,-0.2 4,-2.9 2,-0.2 5,-0.3 0.866 110.8 60.3 -66.0 -33.4 32.1 31.4 17.2 170 170 A H H X S+ 0 0 1 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.955 113.6 36.2 -54.0 -53.9 31.3 35.2 17.5 171 171 A S H X S+ 0 0 0 -4,-2.0 4,-3.0 -39,-0.2 -2,-0.2 0.907 118.0 51.4 -65.5 -43.1 32.3 35.8 13.8 172 172 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.957 108.8 49.8 -67.2 -43.5 30.9 32.4 12.6 173 173 A T H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.887 114.3 46.9 -58.8 -38.0 27.4 33.0 14.3 174 174 A Q H < S+ 0 0 8 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.919 112.0 50.3 -70.0 -37.0 27.4 36.4 12.6 175 175 A A H >< S+ 0 0 0 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.971 113.4 44.6 -66.9 -43.7 28.5 34.8 9.2 176 176 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.748 97.6 71.9 -75.8 -21.2 25.7 32.1 9.3 177 177 A A T 3< S+ 0 0 1 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.1 0.266 91.2 64.7 -75.4 20.4 22.9 34.5 10.4 178 178 A K T < S+ 0 0 36 -3,-0.9 -1,-0.2 2,-0.1 2,-0.2 0.402 93.0 60.5-119.7 -10.4 23.1 35.9 6.8 179 179 A F S < S- 0 0 8 -3,-1.4 3,-0.4 -27,-0.1 2,-0.3 -0.601 98.4 -78.9-104.3-172.8 22.0 32.9 4.8 180 180 A D S S- 0 0 96 -2,-0.2 -26,-3.1 1,-0.2 -25,-0.2 -0.664 88.3 -7.7-106.3 147.7 18.5 31.4 5.3 181 181 A G S S+ 0 0 46 -2,-0.3 2,-0.3 -28,-0.2 -1,-0.2 0.772 72.4 161.8 55.6 40.9 17.0 29.0 7.8 182 182 A N - 0 0 5 -3,-0.4 26,-0.5 -28,-0.3 2,-0.4 -0.691 27.5-144.9 -89.8 145.1 20.1 28.1 9.7 183 183 A R E -fh 156 208C 61 -28,-3.6 -26,-3.3 -2,-0.3 2,-0.4 -0.952 8.3-148.6-116.0 127.9 19.4 26.6 13.1 184 184 A F E -fh 157 209C 0 24,-2.9 26,-1.4 -2,-0.4 2,-0.4 -0.785 15.4-178.2-107.1 142.0 21.5 27.1 16.2 185 185 A Y E -fh 158 210C 4 -28,-2.1 -26,-3.0 -2,-0.4 2,-0.5 -0.998 13.7-164.8-124.3 125.7 22.2 24.9 19.2 186 186 A F E +fh 159 211C 4 24,-1.5 26,-1.1 -2,-0.4 2,-0.5 -0.969 10.6 177.3-123.0 120.8 24.4 26.5 21.9 187 187 A I E +f 160 0C 0 -28,-1.8 -26,-2.5 -2,-0.5 60,-0.1 -0.915 27.0 127.6-122.0 95.0 25.9 24.3 24.5 188 188 A A - 0 0 25 -2,-0.5 2,-0.2 -28,-0.2 -26,-0.2 -0.807 62.9 -92.5-133.3 174.5 28.2 26.2 26.9 189 189 A P > - 0 0 18 0, 0.0 3,-0.8 0, 0.0 -26,-0.2 -0.600 46.0-109.1 -71.6 164.3 28.5 26.6 30.7 190 190 A D G > S+ 0 0 157 1,-0.2 3,-1.9 -2,-0.2 0, 0.0 0.948 117.2 54.1 -55.3 -50.5 26.5 29.6 32.0 191 191 A A G 3 S+ 0 0 45 1,-0.3 -1,-0.2 48,-0.0 48,-0.0 0.592 117.5 35.5 -62.2 -20.2 29.7 31.6 32.8 192 192 A L G < S+ 0 0 2 -3,-0.8 -29,-2.2 -31,-0.1 -28,-1.2 -0.216 91.4 141.8-125.2 39.3 31.1 31.2 29.3 193 193 A A < - 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