==== 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 LIGASE 23-APR-07 2PN1 . COMPND 2 MOLECULE: CARBAMOYLPHOSPHATE SYNTHASE LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: EXIGUOBACTERIUM SIBIRICUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 28 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 1 1 0 1 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 0 3 0 1 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 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 0 A G > 0 0 78 0, 0.0 3,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 167.4 11.5 17.9 34.2 2 1 A X T 3 + 0 0 195 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.803 360.0 22.8 -52.9 -37.5 8.4 17.0 32.1 3 2 A Q T 3 S+ 0 0 128 1,-0.1 -1,-0.3 2,-0.0 270,-0.0 0.394 118.7 72.4-106.4 -1.6 6.4 15.9 35.2 4 3 A K < - 0 0 137 -3,-0.7 25,-0.2 24,-0.1 -1,-0.1 -0.882 60.9-167.1-128.4 94.3 8.4 17.9 37.8 5 4 A P - 0 0 7 0, 0.0 25,-2.6 0, 0.0 2,-0.5 -0.467 10.7-150.6 -73.5 152.0 8.1 21.7 38.0 6 5 A H E -a 30 0A 14 23,-0.2 68,-2.4 -2,-0.1 69,-2.2 -0.920 15.6-166.3-123.5 99.8 10.7 23.7 40.0 7 6 A L E -ab 31 75A 0 23,-2.5 25,-3.1 -2,-0.5 2,-0.5 -0.793 4.9-158.4 -87.7 125.6 8.9 26.8 41.4 8 7 A L E -ab 32 76A 0 67,-2.8 69,-2.1 -2,-0.5 2,-0.6 -0.941 3.8-157.9-101.2 123.6 11.2 29.5 42.8 9 8 A I E -ab 33 77A 0 23,-2.6 25,-2.3 -2,-0.5 3,-0.4 -0.929 14.4-163.8-102.8 110.5 9.4 31.9 45.3 10 9 A T E + b 0 78A 0 67,-2.4 69,-1.2 -2,-0.6 25,-0.2 -0.594 68.4 23.5 -95.7 158.4 11.3 35.2 45.4 11 10 A S S S+ 0 0 13 23,-0.3 -1,-0.2 -2,-0.2 24,-0.2 0.915 73.9 161.2 49.7 47.2 10.9 37.9 48.2 12 11 A A > + 0 0 0 22,-2.0 3,-2.4 -3,-0.4 23,-0.1 0.842 14.0 151.4 -64.8 -37.0 9.6 35.0 50.4 13 12 A G T 3 S- 0 0 20 1,-0.3 29,-2.6 21,-0.2 30,-0.4 -0.140 72.4 -14.1 48.2-116.5 10.3 37.2 53.5 14 13 A R T 3 S+ 0 0 175 27,-0.2 2,-2.1 26,-0.2 3,-0.4 0.328 101.2 110.6 -99.9 5.1 8.0 36.3 56.3 15 14 A R <> + 0 0 46 -3,-2.4 4,-1.8 1,-0.2 5,-0.1 -0.335 32.2 143.3 -86.5 62.0 5.4 34.3 54.3 16 15 A A H > + 0 0 22 -2,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.910 67.2 51.3 -68.0 -47.4 6.3 31.0 55.9 17 16 A K H > S+ 0 0 103 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.904 109.3 52.0 -61.4 -40.1 2.8 29.5 56.0 18 17 A L H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 109.8 48.1 -63.0 -43.3 2.3 30.3 52.2 19 18 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.885 108.9 55.1 -64.5 -38.8 5.6 28.6 51.3 20 19 A E H X S+ 0 0 85 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.909 106.0 52.0 -59.2 -41.9 4.5 25.6 53.5 21 20 A Y H X S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.904 110.8 47.2 -61.9 -43.0 1.3 25.4 51.4 22 21 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.917 109.9 51.8 -62.8 -47.0 3.4 25.4 48.2 23 22 A V H < S+ 0 0 68 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.935 113.4 46.6 -55.2 -45.8 5.7 22.7 49.5 24 23 A K H < S+ 0 0 119 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 115.2 44.2 -63.0 -44.1 2.6 20.6 50.4 25 24 A E H < S+ 0 0 19 -4,-2.3 2,-2.0 -5,-0.2 -1,-0.2 0.696 88.4 87.1 -81.7 -20.8 0.8 21.1 47.1 26 25 A F < + 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 5,-0.1 -0.565 55.3 174.3 -77.1 78.8 3.8 20.5 44.7 27 26 A K + 0 0 129 -2,-2.0 2,-0.3 239,-0.1 -1,-0.2 0.642 68.5 29.6 -62.7 -23.3 3.2 16.7 44.6 28 27 A T S S+ 0 0 44 -3,-0.1 -24,-0.1 2,-0.0 2,-0.1 -0.924 115.7 9.4-129.5 159.0 5.9 16.3 42.0 29 28 A G S S- 0 0 39 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.354 89.1 -58.1 75.2-149.3 9.0 18.5 41.5 30 29 A R E -a 6 0A 88 -25,-2.6 -23,-2.5 -2,-0.1 2,-0.4 -0.956 20.6-154.5-144.1 147.7 10.3 21.2 43.8 31 30 A V E +a 7 0A 10 -2,-0.3 16,-0.5 -25,-0.2 17,-0.4 -0.999 25.7 177.6-120.7 122.5 9.5 24.5 45.6 32 31 A S E -a 8 0A 0 -25,-3.1 -23,-2.6 -2,-0.4 2,-0.3 -0.831 13.9-142.2-120.4 163.2 12.5 26.7 46.4 33 32 A T E -ac 9 49A 0 15,-1.8 17,-1.9 -2,-0.3 2,-0.3 -0.848 11.4-171.0-126.4 156.1 12.7 30.1 48.0 34 33 A A E + c 0 50A 0 -25,-2.3 -22,-2.0 -2,-0.3 -23,-0.3 -0.990 13.0 153.0-145.6 150.7 14.8 33.3 47.7 35 34 A D E - c 0 51A 22 15,-1.7 17,-2.0 -2,-0.3 19,-0.1 -0.951 48.1-115.8-162.2 163.2 15.3 36.6 49.6 36 35 A C S S+ 0 0 59 -2,-0.3 18,-0.1 15,-0.2 15,-0.1 0.642 98.3 59.7 -80.9 -16.0 18.0 39.2 50.1 37 36 A S > - 0 0 41 1,-0.1 3,-1.4 16,-0.1 -24,-0.1 -0.955 67.8-148.1-116.3 133.4 18.2 38.5 53.9 38 37 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.622 98.8 70.4 -66.7 -12.0 19.1 35.2 55.6 39 38 A L T 3 + 0 0 137 4,-0.0 2,-0.8 3,-0.0 3,-0.1 0.270 66.4 116.6 -87.3 11.2 16.7 36.3 58.4 40 39 A A X - 0 0 8 -3,-1.4 3,-1.3 1,-0.2 4,-0.5 -0.742 56.7-155.2 -80.4 110.3 13.6 35.8 56.1 41 40 A S G > S+ 0 0 42 -2,-0.8 3,-0.9 1,-0.3 -27,-0.2 0.803 87.7 64.4 -54.7 -38.7 11.7 33.0 57.9 42 41 A A G > S+ 0 0 0 -29,-2.6 3,-1.5 1,-0.2 4,-0.3 0.756 87.1 72.8 -59.1 -28.4 9.9 31.8 54.8 43 42 A L G X S+ 0 0 0 -3,-1.3 3,-1.3 -30,-0.4 -1,-0.2 0.907 94.5 52.6 -49.2 -44.0 13.3 30.8 53.3 44 43 A Y G < S+ 0 0 44 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.386 88.9 76.3 -83.7 2.0 13.5 27.8 55.6 45 44 A X G < S+ 0 0 36 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.3 0.531 94.3 59.9 -84.7 -10.8 10.1 26.3 54.8 46 45 A A S < S- 0 0 7 -3,-1.3 -14,-0.1 -4,-0.3 -26,-0.1 -0.863 86.2-125.7-115.5 153.6 11.6 25.0 51.5 47 46 A D S S+ 0 0 126 -16,-0.5 2,-0.5 -2,-0.3 -15,-0.1 0.890 100.4 42.3 -63.7 -46.3 14.5 22.5 51.1 48 47 A Q S S+ 0 0 50 -17,-0.4 -15,-1.8 -3,-0.0 2,-0.3 -0.934 71.1 170.8-108.0 126.1 16.6 24.8 48.8 49 48 A H E -c 33 0A 39 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.979 11.2-162.6-134.3 142.7 16.7 28.5 49.8 50 49 A Y E -c 34 0A 32 -17,-1.9 -15,-1.7 -2,-0.3 2,-0.5 -0.967 18.9-131.5-133.6 144.8 19.0 31.2 48.2 51 50 A I E +c 35 0A 23 -2,-0.3 -15,-0.2 -17,-0.2 -17,-0.0 -0.837 35.4 176.5 -93.3 129.6 20.2 34.7 49.1 52 51 A V - 0 0 8 -17,-2.0 3,-0.1 -2,-0.5 8,-0.1 -0.736 34.8 -81.6-123.8 168.7 19.8 37.0 46.1 53 52 A P - 0 0 1 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.203 57.4 -85.5 -64.2 166.9 20.4 40.8 45.6 54 53 A K > - 0 0 115 -18,-0.1 3,-1.6 1,-0.1 6,-0.2 -0.462 42.6-113.6 -67.1 149.7 17.8 43.4 46.8 55 54 A I T 3 S+ 0 0 37 1,-0.3 6,-0.1 -2,-0.1 5,-0.1 0.760 114.9 54.5 -60.9 -28.3 15.2 44.0 44.1 56 55 A D T 3 S+ 0 0 126 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.524 83.3 106.7 -83.2 -8.9 16.3 47.6 43.5 57 56 A E S X S- 0 0 70 -3,-1.6 3,-1.6 1,-0.1 4,-0.3 -0.508 77.5-126.4 -71.4 141.9 19.9 46.5 42.8 58 57 A V T 3 S+ 0 0 144 1,-0.3 3,-0.5 -2,-0.2 4,-0.3 0.885 106.6 51.0 -56.5 -45.6 20.8 46.8 39.1 59 58 A E T 3> S+ 0 0 63 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.279 78.9 105.5 -77.6 9.3 22.1 43.2 38.8 60 59 A Y H <> S+ 0 0 2 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.938 83.5 39.8 -58.0 -54.4 19.0 41.6 40.4 61 60 A I H > S+ 0 0 11 -3,-0.5 4,-2.4 -4,-0.3 -1,-0.2 0.902 113.9 54.8 -63.5 -44.0 17.4 40.2 37.2 62 61 A D H > S+ 0 0 89 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.890 111.1 47.4 -52.5 -46.0 20.9 39.0 35.9 63 62 A H H X S+ 0 0 75 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.881 110.3 50.4 -64.8 -43.6 21.3 37.1 39.2 64 63 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.851 109.5 51.4 -63.1 -39.1 17.8 35.5 39.1 65 64 A L H X S+ 0 0 21 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 112.9 45.4 -63.6 -44.7 18.4 34.3 35.5 66 65 A T H X S+ 0 0 72 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.878 112.8 50.2 -65.6 -42.0 21.7 32.8 36.5 67 66 A L H X S+ 0 0 25 -4,-2.4 4,-2.5 2,-0.2 6,-0.2 0.907 109.7 52.4 -59.9 -44.7 20.2 31.2 39.7 68 67 A C H X>S+ 0 0 1 -4,-2.4 5,-2.3 2,-0.2 4,-0.5 0.907 112.7 43.0 -59.0 -47.7 17.4 29.8 37.6 69 68 A Q H ><5S+ 0 0 124 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.900 116.2 48.1 -64.3 -46.5 19.7 28.1 35.0 70 69 A D H 3<5S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.860 119.5 37.7 -64.3 -37.2 22.1 26.8 37.8 71 70 A E H 3<5S- 0 0 75 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.301 108.3-115.5-101.9 9.2 19.2 25.4 39.9 72 71 A G T <<5 + 0 0 47 -3,-0.6 -3,-0.2 -4,-0.5 2,-0.2 0.836 47.2 178.9 61.5 35.8 16.9 24.0 37.1 73 72 A V < - 0 0 9 -5,-2.3 -1,-0.2 -6,-0.2 -66,-0.2 -0.497 16.5-178.5 -70.5 134.3 14.1 26.4 38.0 74 73 A T + 0 0 45 -68,-2.4 26,-2.2 1,-0.3 2,-0.3 0.609 66.5 20.9-104.5 -25.9 11.1 26.0 35.7 75 74 A A E -bd 7 100A 0 -69,-2.2 -67,-2.8 24,-0.2 2,-0.4 -0.991 61.5-154.9-148.1 153.5 8.8 28.8 37.1 76 75 A L E +bd 8 101A 0 24,-2.3 26,-3.6 -2,-0.3 2,-0.3 -0.974 11.4 174.3-134.0 140.7 9.1 31.9 39.2 77 76 A L E -b 9 0A 5 -69,-2.1 -67,-2.4 -2,-0.4 2,-0.3 -0.989 15.3-150.8-143.8 136.5 6.7 33.8 41.4 78 77 A T E -b 10 0A 3 24,-0.4 172,-0.3 -2,-0.3 -67,-0.2 -0.795 8.0-155.2-106.0 156.9 7.2 36.9 43.7 79 78 A L S S+ 0 0 5 -69,-1.2 2,-0.3 -2,-0.3 -68,-0.1 0.372 70.7 75.5-107.2 -0.6 5.3 37.6 46.9 80 79 A I S >> S- 0 0 61 -70,-0.2 3,-0.7 1,-0.1 4,-0.7 -0.915 73.1-132.2-122.1 145.7 5.8 41.4 46.9 81 80 A D H >> S+ 0 0 29 -2,-0.3 3,-0.9 1,-0.2 4,-0.7 0.859 101.8 56.9 -55.7 -48.3 4.3 44.3 44.9 82 81 A P H 34 S+ 0 0 69 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.730 106.4 51.2 -63.4 -21.4 7.5 46.2 43.9 83 82 A E H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.1 5,-0.3 0.666 91.4 78.9 -85.7 -19.8 9.0 43.0 42.3 84 83 A L H S+ 0 0 46 -4,-0.5 4,-1.1 2,-0.2 -2,-0.2 0.930 113.0 38.8 -61.2 -48.0 10.3 44.1 37.5 87 86 A L H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 -2,-0.2 0.864 114.6 54.5 -69.2 -38.8 9.7 40.4 36.7 88 87 A A H >< S+ 0 0 6 -4,-2.4 3,-1.1 -5,-0.3 18,-0.3 0.917 108.6 48.8 -59.7 -45.5 6.9 41.3 34.2 89 88 A Q H 3< S+ 0 0 138 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.797 115.0 45.9 -63.2 -33.0 9.3 43.6 32.3 90 89 A A T >X S+ 0 0 6 -4,-1.1 4,-1.6 -5,-0.2 3,-1.3 0.310 77.6 111.0 -92.5 4.5 11.9 40.8 32.3 91 90 A T H <> S+ 0 0 36 -3,-1.1 4,-2.8 -4,-0.3 5,-0.2 0.840 75.2 54.8 -51.5 -43.8 9.6 37.9 31.2 92 91 A E H 3> S+ 0 0 128 -3,-0.3 4,-1.7 -4,-0.3 -1,-0.3 0.802 106.1 52.4 -60.5 -31.9 11.2 37.6 27.7 93 92 A R H <4 S+ 0 0 112 -3,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.866 111.6 45.9 -71.8 -38.1 14.6 37.1 29.4 94 93 A F H ><>S+ 0 0 0 -4,-1.6 5,-2.9 1,-0.2 3,-1.3 0.904 111.4 52.6 -68.8 -40.8 13.2 34.3 31.6 95 94 A Q H ><5S+ 0 0 111 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.837 100.7 62.0 -62.5 -33.3 11.5 32.9 28.5 96 95 A A T 3<5S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.655 110.0 40.3 -66.1 -20.1 14.9 32.9 26.7 97 96 A I T < 5S- 0 0 51 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.209 124.6-103.3-106.4 10.3 16.2 30.4 29.4 98 97 A G T < 5S+ 0 0 60 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.534 75.7 139.0 78.8 12.8 12.9 28.4 29.4 99 98 A V < - 0 0 3 -5,-2.9 2,-0.6 -6,-0.1 -1,-0.2 -0.759 45.6-143.4 -98.5 129.8 11.5 29.9 32.7 100 99 A T E -d 75 0A 77 -26,-2.2 -24,-2.3 -2,-0.4 2,-0.6 -0.806 10.9-151.1 -89.4 117.2 7.8 30.9 33.1 101 100 A V E -d 76 0A 18 -2,-0.6 2,-1.4 -26,-0.2 -24,-0.2 -0.802 9.2-144.2 -89.1 120.2 7.4 34.0 35.2 102 101 A I + 0 0 10 -26,-3.6 -24,-0.4 -2,-0.6 2,-0.3 -0.699 56.9 114.8 -90.0 86.5 4.0 33.8 37.0 103 102 A V - 0 0 18 -2,-1.4 3,-0.1 -26,-0.1 125,-0.1 -0.984 68.2-105.2-152.3 149.9 3.0 37.4 36.9 104 103 A S - 0 0 0 144,-0.3 122,-0.2 -2,-0.3 5,-0.1 -0.309 61.9 -69.7 -70.3 159.8 0.3 39.5 35.2 105 104 A P > - 0 0 71 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.167 47.7-112.5 -52.5 146.8 1.3 41.6 32.2 106 105 A Y H > S+ 0 0 100 -18,-0.3 4,-2.8 1,-0.2 5,-0.2 0.860 114.1 51.8 -49.0 -51.3 3.6 44.6 32.9 107 106 A A H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 111.3 48.7 -57.1 -41.6 1.1 47.4 32.1 108 107 A A H > S+ 0 0 17 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.918 111.4 49.7 -63.9 -45.8 -1.5 45.7 34.4 109 108 A C H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.916 114.1 45.2 -58.8 -46.2 1.1 45.5 37.2 110 109 A E H X S+ 0 0 66 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.849 110.7 53.0 -68.0 -37.3 2.1 49.1 36.8 111 110 A L H < S+ 0 0 39 -4,-2.4 7,-0.2 -5,-0.2 -1,-0.2 0.877 115.0 42.3 -63.2 -41.3 -1.6 50.3 36.6 112 111 A C H < S+ 0 0 8 -4,-2.2 134,-0.4 1,-0.2 -2,-0.2 0.809 111.0 56.2 -72.0 -34.5 -2.3 48.5 39.9 113 112 A F H < S+ 0 0 44 -4,-2.0 46,-3.0 -5,-0.2 2,-0.7 0.811 96.2 67.7 -70.4 -34.9 0.9 49.6 41.6 114 113 A D B X S-E 158 0B 29 -4,-1.6 4,-2.3 44,-0.2 44,-0.2 -0.820 72.7-153.0 -93.3 116.2 0.4 53.4 41.2 115 114 A K H > S+ 0 0 25 42,-3.1 4,-1.7 -2,-0.7 -1,-0.1 0.796 93.4 52.2 -59.6 -32.3 -2.6 54.5 43.3 116 115 A Y H > S+ 0 0 58 41,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 110.1 45.4 -73.2 -45.0 -3.4 57.4 41.0 117 116 A T H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.879 111.9 54.3 -65.2 -37.5 -3.5 55.3 37.7 118 117 A X H X S+ 0 0 4 -4,-2.3 4,-2.1 -7,-0.2 -1,-0.2 0.903 109.1 48.5 -58.3 -44.9 -5.6 52.7 39.7 119 118 A Y H X S+ 0 0 29 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.911 110.4 50.4 -60.0 -47.0 -8.1 55.6 40.6 120 119 A E H X S+ 0 0 72 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.889 108.4 53.2 -60.8 -42.7 -8.2 56.8 37.0 121 120 A Y H X S+ 0 0 37 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.940 109.5 49.0 -55.9 -48.3 -9.0 53.2 35.8 122 121 A C H X>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 4,-1.3 0.892 108.6 52.2 -59.0 -46.9 -11.9 53.0 38.3 123 122 A L H <5S+ 0 0 100 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.896 113.2 45.6 -57.1 -42.5 -13.3 56.4 37.1 124 123 A R H <5S+ 0 0 159 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 117.1 43.7 -67.3 -38.8 -13.2 55.1 33.5 125 124 A Q H <5S- 0 0 85 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.532 110.5-115.5 -86.6 -9.3 -14.8 51.7 34.4 126 125 A G T <5 + 0 0 73 -4,-1.3 2,-0.5 1,-0.3 -3,-0.2 0.728 64.0 147.6 77.2 25.7 -17.5 53.0 36.8 127 126 A I < - 0 0 13 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.821 53.1-113.6 -95.2 128.2 -16.0 51.3 39.9 128 127 A A + 0 0 41 -2,-0.5 115,-3.0 113,-0.4 2,-0.3 -0.296 47.8 161.7 -61.4 141.1 -16.5 53.1 43.2 129 128 A H - 0 0 20 113,-0.2 115,-0.1 -7,-0.0 3,-0.1 -0.960 45.7 -87.8-161.0 145.4 -13.2 54.4 44.7 130 129 A A - 0 0 11 113,-0.4 2,-0.1 -2,-0.3 37,-0.0 -0.356 55.4 -98.7 -58.9 131.8 -12.2 57.0 47.3 131 130 A R - 0 0 106 16,-0.1 35,-2.4 34,-0.1 2,-0.4 -0.379 50.7-164.6 -52.5 127.7 -11.7 60.4 45.7 132 131 A T E -F 165 0C 3 33,-0.2 2,-0.4 -3,-0.1 33,-0.2 -0.965 13.2-159.7-129.9 140.0 -7.9 60.7 45.2 133 132 A Y E -F 164 0C 20 31,-2.8 31,-1.8 -2,-0.4 -17,-0.0 -0.979 14.0-175.0-126.9 128.8 -5.7 63.7 44.5 134 133 A A S S+ 0 0 42 -2,-0.4 2,-0.3 29,-0.2 28,-0.2 0.504 76.8 49.5 -94.6 -13.2 -2.1 63.7 42.9 135 134 A T S > S- 0 0 79 29,-0.1 4,-1.1 1,-0.1 29,-0.1 -0.893 77.4-129.5-125.7 156.4 -1.6 67.5 43.4 136 135 A X H > S+ 0 0 156 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.813 107.3 57.9 -72.1 -33.6 -2.1 69.8 46.4 137 136 A A H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 104.8 48.9 -61.8 -49.1 -4.2 72.3 44.3 138 137 A S H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.807 110.6 51.4 -63.1 -35.1 -6.8 69.7 43.3 139 138 A F H X S+ 0 0 33 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.885 111.8 46.5 -66.6 -43.4 -7.2 68.6 47.0 140 139 A E H X S+ 0 0 55 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.899 112.8 50.5 -64.4 -44.0 -7.7 72.3 48.1 141 140 A E H X S+ 0 0 137 -4,-2.6 4,-2.3 2,-0.2 6,-0.2 0.928 111.0 48.8 -55.9 -50.6 -10.2 72.8 45.3 142 141 A A H <>S+ 0 0 1 -4,-2.3 5,-2.3 2,-0.2 6,-1.1 0.828 112.2 47.6 -60.9 -39.2 -12.1 69.6 46.3 143 142 A L H ><5S+ 0 0 72 -4,-1.9 3,-1.2 4,-0.2 -1,-0.2 0.909 111.5 52.2 -65.4 -44.6 -12.1 70.8 50.0 144 143 A A H 3<5S+ 0 0 85 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.848 112.1 45.0 -58.5 -40.5 -13.3 74.2 48.8 145 144 A A T 3<5S- 0 0 64 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.374 114.8-115.2 -84.7 2.0 -16.2 72.6 46.8 146 145 A G T < 5S+ 0 0 63 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.610 80.2 127.5 71.3 14.5 -17.2 70.3 49.7 147 146 A E S - 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