==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-07 2Q49 . COMPND 2 MOLECULE: PROBABLE N-ACETYL-GAMMA-GLUTAMYL-PHOSPHATE REDUCT . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR E.J.LEVIN,D.A.KONDRASHOV,G.E.WESENBERG,G.N.PHILLIPS JR.,CENT . 1380 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 937 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 0 0.0 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 . 122 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 192 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.5 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 9 1 3 0 5 2 3 8 4 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 8 15 7 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 PARALLEL BRIDGES PER LADDER . 11 5 0 2 0 7 1 2 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 0 0 1 3 1 1 2 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 15 A K 0 0 110 0, 0.0 28,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 166.6 40.3 23.9 27.7 2 16 A D + 0 0 132 24,-0.3 2,-0.5 1,-0.1 26,-0.2 0.715 360.0 51.3 -54.4 -28.2 43.3 25.1 25.7 3 17 A I E -a 28 0A 21 24,-1.8 26,-1.6 67,-0.0 2,-0.5 -0.960 68.9-151.7-125.4 125.9 41.3 27.0 23.2 4 18 A R E -a 29 0A 112 -2,-0.5 66,-2.4 24,-0.2 67,-1.3 -0.794 18.9-148.7 -93.9 125.4 38.6 29.6 23.9 5 19 A I E -ab 30 71A 0 24,-3.3 26,-1.7 -2,-0.5 27,-1.4 -0.782 8.3-154.3-102.4 135.1 35.9 29.9 21.2 6 20 A G E -ab 32 72A 1 65,-2.6 67,-3.6 -2,-0.4 2,-0.5 -0.920 14.1-172.4-103.1 123.1 34.0 33.0 20.2 7 21 A L E -ab 33 73A 1 25,-2.4 27,-2.2 -2,-0.6 3,-0.3 -0.910 4.5-162.7-121.1 104.0 30.6 32.1 18.6 8 22 A L E S+ b 0 74A 2 65,-2.4 67,-2.7 -2,-0.5 27,-0.1 -0.652 74.3 15.8 -84.6 138.5 28.6 35.0 17.1 9 23 A G S S+ 0 0 9 -2,-0.3 3,-0.5 65,-0.2 -1,-0.2 0.996 73.3 167.0 63.1 63.7 24.9 34.5 16.4 10 24 A A + 0 0 0 24,-3.7 25,-0.2 -3,-0.3 9,-0.1 0.476 56.1 76.5 -89.5 -5.6 24.6 31.4 18.6 11 25 A S S S+ 0 0 36 23,-0.4 -1,-0.2 4,-0.1 2,-0.1 0.534 80.9 84.4 -85.7 -3.2 20.8 31.2 18.7 12 26 A G S > S- 0 0 26 -3,-0.5 4,-2.7 63,-0.1 3,-0.2 -0.448 94.6 -99.4 -93.1 170.9 20.4 29.8 15.2 13 27 A Y H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 123.5 49.9 -55.7 -42.7 20.6 26.2 14.0 14 28 A T H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.866 111.2 51.2 -68.9 -29.7 24.2 26.5 12.8 15 29 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.951 108.2 51.2 -67.4 -47.6 25.1 28.0 16.2 16 30 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.923 110.6 49.3 -53.7 -46.0 23.4 25.1 18.0 17 31 A E H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.3 0.842 105.9 56.2 -63.5 -34.1 25.5 22.7 15.8 18 32 A I H X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.866 110.2 46.6 -65.2 -34.7 28.6 24.7 16.7 19 33 A V H X S+ 0 0 1 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.926 113.6 47.5 -72.4 -45.4 27.8 24.0 20.3 20 34 A R H >X S+ 0 0 7 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.947 113.3 47.2 -60.6 -51.2 27.0 20.3 19.7 21 35 A L H >< S+ 0 0 0 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.899 110.2 51.6 -59.0 -44.0 30.2 19.7 17.7 22 36 A L H >< S+ 0 0 7 -4,-1.7 3,-1.3 -5,-0.3 -1,-0.2 0.708 92.6 79.2 -68.0 -18.3 32.5 21.5 20.2 23 37 A A H << S+ 0 0 23 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.857 102.5 32.4 -58.1 -41.5 31.0 19.4 23.0 24 38 A N T << S+ 0 0 61 -3,-0.8 313,-0.3 -4,-0.6 -1,-0.3 0.146 91.9 112.2-102.1 17.7 33.1 16.3 22.2 25 39 A H < - 0 0 0 -3,-1.3 311,-0.0 1,-0.1 -3,-0.0 -0.813 58.3-155.0 -91.7 105.9 36.1 18.3 21.0 26 40 A P S S+ 0 0 80 0, 0.0 -24,-0.3 0, 0.0 -1,-0.1 0.621 85.0 36.6 -58.2 -10.7 38.8 17.7 23.6 27 41 A H S S+ 0 0 63 -26,-0.1 -24,-1.8 -25,-0.1 2,-0.1 0.851 101.2 62.5-111.7 -44.8 40.6 21.0 22.8 28 42 A F E -a 3 0A 0 -26,-0.2 2,-0.3 -27,-0.1 -24,-0.2 -0.453 56.7-170.0 -84.4 159.5 38.3 23.8 21.9 29 43 A Q E -a 4 0A 82 -26,-1.6 -24,-3.3 -2,-0.1 2,-0.5 -0.939 24.2-124.5-154.0 128.2 35.7 25.3 24.3 30 44 A V E +a 5 0A 15 -2,-0.3 -24,-0.1 -26,-0.2 3,-0.1 -0.593 40.8 154.5 -73.4 119.2 32.9 27.8 23.9 31 45 A T E + 0 0 35 -26,-1.7 2,-0.4 -2,-0.5 -1,-0.2 0.488 62.1 44.5-122.3 -10.9 33.4 30.7 26.3 32 46 A L E -a 6 0A 20 -27,-1.4 -25,-2.4 24,-0.1 2,-0.4 -0.972 61.6-178.0-140.3 122.0 31.6 33.5 24.6 33 47 A M E -ac 7 58A 0 24,-0.6 26,-2.5 -2,-0.4 2,-0.3 -0.980 9.3-157.1-127.5 128.2 28.2 33.3 22.9 34 48 A T E + c 0 59A 3 -27,-2.2 -24,-3.7 -2,-0.4 -23,-0.4 -0.765 16.1 166.9-103.1 141.9 26.4 36.1 21.1 35 49 A A - 0 0 2 24,-2.2 26,-0.2 -2,-0.3 5,-0.1 -0.977 22.7-150.7-149.2 154.5 22.6 36.4 20.5 36 50 A D S > S+ 0 0 123 -2,-0.3 3,-1.0 24,-0.1 -1,-0.2 0.889 88.1 8.0 -93.0 -82.9 20.4 39.2 19.3 37 51 A R T 3 S+ 0 0 225 1,-0.2 23,-0.1 23,-0.0 -2,-0.0 0.841 130.8 54.8 -73.2 -30.4 16.8 39.1 20.6 38 52 A K T 3 S+ 0 0 91 21,-0.1 3,-0.3 3,-0.0 -1,-0.2 0.191 78.1 135.0 -89.7 19.2 17.6 36.3 23.0 39 53 A A < + 0 0 33 -3,-1.0 20,-0.2 1,-0.2 3,-0.1 -0.266 61.5 37.8 -62.0 155.2 20.4 38.1 24.7 40 54 A G S S+ 0 0 62 18,-2.9 2,-0.3 1,-0.2 -1,-0.2 0.893 99.0 108.9 67.8 40.3 20.4 37.9 28.5 41 55 A Q S S- 0 0 56 17,-0.5 17,-1.2 -3,-0.3 2,-0.3 -0.994 74.6-112.9-149.6 140.7 19.2 34.3 28.4 42 56 A S B > -G 57 0B 65 -2,-0.3 3,-2.3 15,-0.2 4,-0.4 -0.550 30.3-127.6 -70.7 132.0 20.7 30.9 29.2 43 57 A M G >> S+ 0 0 6 13,-0.5 4,-4.0 1,-0.3 3,-0.8 0.639 106.5 76.1 -57.6 -8.1 20.9 29.0 25.9 44 58 A E G 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.889 92.7 49.3 -68.3 -38.6 19.0 26.4 27.8 45 59 A S G <4 S+ 0 0 95 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.469 118.7 42.1 -76.8 -2.0 15.9 28.4 27.4 46 60 A V T <4 S+ 0 0 4 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.772 134.2 12.2-106.9 -48.9 16.8 28.6 23.7 47 61 A F >< - 0 0 0 -4,-4.0 3,-2.6 1,-0.1 -2,-0.2 -0.709 65.1-178.4-132.8 78.5 17.9 25.1 23.0 48 62 A P G > S+ 0 0 51 0, 0.0 3,-2.0 0, 0.0 4,-0.1 0.725 75.5 76.2 -52.5 -22.2 17.0 22.8 25.9 49 63 A H G 3 S+ 0 0 2 1,-0.3 3,-0.5 2,-0.1 -5,-0.1 0.751 88.9 60.1 -63.2 -18.1 18.6 19.9 24.2 50 64 A L G X + 0 0 2 -3,-2.6 3,-2.5 -7,-0.2 -1,-0.3 0.373 69.5 113.5 -89.0 7.3 21.9 21.3 25.2 51 65 A R T < + 0 0 47 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.700 62.7 68.0 -53.5 -25.4 21.1 21.2 28.9 52 66 A A T 3 S+ 0 0 13 -3,-0.5 -1,-0.3 -4,-0.1 2,-0.2 0.725 96.4 71.8 -67.5 -18.8 23.8 18.5 29.7 53 67 A Q S < S- 0 0 35 -3,-2.5 2,-0.6 -9,-0.0 -30,-0.0 -0.659 76.5-140.7 -98.0 154.1 26.3 21.3 28.9 54 68 A K + 0 0 151 -2,-0.2 -3,-0.1 -10,-0.0 -2,-0.0 -0.902 34.4 172.0-116.1 100.3 27.1 24.3 31.0 55 69 A L - 0 0 47 -2,-0.6 -24,-0.1 1,-0.2 -11,-0.1 -0.581 33.9 -90.1-107.6 169.1 27.6 27.3 28.7 56 70 A P - 0 0 36 0, 0.0 -13,-0.5 0, 0.0 2,-0.2 -0.057 51.2 -90.3 -66.9 174.3 28.1 31.0 29.1 57 71 A T B -G 42 0B 84 -15,-0.1 -24,-0.6 -14,-0.1 2,-0.4 -0.603 45.4-105.4 -86.4 151.1 25.2 33.5 29.2 58 72 A L E +c 33 0A 1 -17,-1.2 -18,-2.9 -2,-0.2 -17,-0.5 -0.655 44.8 177.8 -79.3 126.1 24.2 34.9 25.9 59 73 A V E -c 34 0A 45 -26,-2.5 -24,-2.2 -2,-0.4 2,-0.2 -0.780 30.9 -97.2-122.4 170.3 25.2 38.5 25.4 60 74 A S > - 0 0 30 -2,-0.3 3,-0.6 -26,-0.2 -24,-0.1 -0.502 30.1-116.1 -85.5 155.3 24.9 41.0 22.5 61 75 A V T 3 S+ 0 0 42 1,-0.3 3,-0.3 -26,-0.2 -1,-0.1 0.872 117.9 58.1 -56.0 -37.8 27.6 41.6 19.9 62 76 A K T 3 S+ 0 0 192 1,-0.3 2,-0.9 3,-0.0 -1,-0.3 0.867 104.9 53.4 -61.4 -35.5 27.8 45.2 21.2 63 77 A D S < S+ 0 0 118 -3,-0.6 -1,-0.3 2,-0.0 2,-0.2 -0.703 89.9 90.7-102.8 80.6 28.6 43.8 24.7 64 78 A A - 0 0 24 -2,-0.9 2,-0.9 -3,-0.3 -32,-0.0 -0.718 61.3-142.7-172.6 118.1 31.5 41.5 24.1 65 79 A D > - 0 0 105 -2,-0.2 3,-1.9 1,-0.1 4,-0.1 -0.751 12.3-155.6 -87.5 109.7 35.3 42.0 24.2 66 80 A F G > S+ 0 0 26 -2,-0.9 3,-0.8 1,-0.3 -1,-0.1 0.474 86.2 81.0 -66.2 3.7 36.7 39.9 21.4 67 81 A S G 3 S+ 0 0 93 1,-0.2 -1,-0.3 25,-0.0 -2,-0.1 0.415 74.2 87.1 -84.7 3.4 40.0 39.8 23.3 68 82 A T G < S+ 0 0 36 -3,-1.9 -1,-0.2 2,-0.0 2,-0.2 0.800 91.9 27.3 -69.5 -35.0 38.1 37.1 25.2 69 83 A V < - 0 0 13 -3,-0.8 -64,-0.2 -4,-0.1 3,-0.1 -0.636 64.9-125.8-126.9-174.9 39.0 34.2 22.8 70 84 A D S S+ 0 0 71 -66,-2.4 23,-1.4 1,-0.3 2,-0.3 0.807 89.9 14.0 -97.8 -39.7 41.4 32.7 20.3 71 85 A A E -bd 5 93A 0 -67,-1.3 -65,-2.6 21,-0.2 2,-0.4 -0.934 67.1-135.5-138.5 161.2 39.2 32.1 17.3 72 86 A V E -bd 6 94A 0 21,-2.5 23,-3.9 -2,-0.3 2,-0.6 -0.963 6.6-164.3-127.9 134.0 35.8 33.1 16.1 73 87 A F E -bd 7 95A 0 -67,-3.6 -65,-2.4 -2,-0.4 2,-0.7 -0.961 19.8-158.6-107.8 116.6 32.8 31.2 14.5 74 88 A C E +bd 8 96A 0 21,-2.1 23,-3.2 -2,-0.6 24,-0.7 -0.866 22.8 167.2-104.3 117.3 30.4 33.7 13.0 75 89 A C + 0 0 20 -67,-2.7 -60,-0.2 -2,-0.7 -61,-0.1 -0.099 34.0 128.6-115.5 35.8 26.9 32.5 12.5 76 90 A L - 0 0 25 1,-0.1 5,-0.1 -66,-0.0 3,-0.1 -0.357 65.0 -83.1 -87.1 167.8 25.2 35.8 11.8 77 91 A P > - 0 0 85 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.305 53.1 -90.2 -68.7 155.1 23.0 36.7 8.8 78 92 A H T 3 S+ 0 0 81 1,-0.2 20,-0.0 2,-0.2 0, 0.0 -0.436 113.2 31.0 -66.1 132.3 24.4 37.8 5.5 79 93 A G T 3 S+ 0 0 16 -2,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.416 110.7 66.6 98.5 0.6 24.9 41.5 5.3 80 94 A T S < S+ 0 0 70 -3,-1.4 4,-0.3 2,-0.1 -2,-0.2 0.356 88.9 66.6-126.9 -5.8 25.5 42.0 9.0 81 95 A T S > S+ 0 0 0 -4,-0.4 4,-3.1 3,-0.1 5,-0.3 0.835 85.7 64.3 -89.8 -37.4 28.8 40.1 9.0 82 96 A Q H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.934 106.3 40.0 -56.7 -54.6 31.2 42.3 6.9 83 97 A E H > S+ 0 0 118 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.796 118.7 50.8 -69.9 -22.7 31.3 45.4 9.1 84 98 A I H >4 S+ 0 0 32 -4,-0.3 3,-0.6 2,-0.2 -2,-0.2 0.954 111.9 43.7 -75.3 -52.4 31.4 43.3 12.2 85 99 A I H >< S+ 0 0 0 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.890 110.2 55.9 -61.1 -40.8 34.3 41.0 11.1 86 100 A K H 3< S+ 0 0 94 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.800 106.5 52.6 -61.6 -28.8 36.3 43.9 9.8 87 101 A E T << S+ 0 0 138 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.221 90.9 104.0 -92.7 13.6 36.1 45.5 13.2 88 102 A L S < S- 0 0 11 -3,-1.9 4,-0.1 1,-0.1 -3,-0.0 -0.612 85.3 -79.8 -94.4 155.0 37.4 42.4 15.0 89 103 A P > - 0 0 52 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.141 33.4-131.9 -51.4 145.0 40.9 42.0 16.4 90 104 A T T 3 S+ 0 0 113 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.808 102.2 62.5 -70.7 -30.8 43.6 41.1 13.9 91 105 A A T 3 S+ 0 0 101 2,-0.1 2,-0.6 -20,-0.0 -1,-0.2 0.196 82.1 107.5 -82.3 18.3 45.1 38.2 16.0 92 106 A L < - 0 0 5 -3,-1.0 2,-0.3 -4,-0.1 -21,-0.2 -0.868 63.7-145.8-102.8 114.9 41.8 36.4 15.7 93 107 A K E -d 71 0A 69 -23,-1.4 -21,-2.5 -2,-0.6 2,-0.4 -0.626 32.0-160.1 -71.9 134.1 41.6 33.3 13.5 94 108 A I E -de 72 143A 0 48,-3.2 50,-1.8 -2,-0.3 2,-0.4 -0.942 30.2-177.4-128.4 143.1 38.0 33.5 12.1 95 109 A V E -de 73 144A 0 -23,-3.9 -21,-2.1 -2,-0.4 2,-0.6 -0.854 13.7-171.6-135.5 95.9 35.5 31.1 10.6 96 110 A D E -de 74 145A 0 48,-1.8 50,-1.3 -2,-0.4 -21,-0.2 -0.817 14.8-157.8 -91.8 120.2 32.3 32.9 9.6 97 111 A L + 0 0 18 -23,-3.2 -22,-0.2 -2,-0.6 -1,-0.1 0.540 67.3 97.5 -72.7 -3.5 29.5 30.5 8.5 98 112 A S S S- 0 0 2 -24,-0.7 3,-0.2 -21,-0.1 -2,-0.1 -0.346 84.1-118.4 -83.0 165.7 27.9 33.4 6.6 99 113 A A S > S+ 0 0 2 1,-0.2 3,-0.6 2,-0.1 4,-0.5 0.202 78.3 111.2 -88.8 16.7 28.3 34.2 2.9 100 114 A D T 3 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.1 23,-0.1 0.146 87.8 25.7 -81.2 24.0 30.0 37.6 3.3 101 115 A F T 3 S+ 0 0 4 -3,-0.2 44,-0.2 45,-0.1 -1,-0.2 0.296 91.2 94.4-161.0 5.0 33.4 36.6 2.0 102 116 A R S < S+ 0 0 13 -3,-0.6 2,-0.5 44,-0.1 -2,-0.1 0.838 77.4 68.4 -74.2 -34.3 32.9 33.7 -0.3 103 117 A L - 0 0 6 -4,-0.5 6,-0.1 1,-0.1 110,-0.1 -0.763 59.3-167.9 -94.2 127.4 32.7 35.8 -3.5 104 118 A R + 0 0 151 -2,-0.5 2,-1.0 1,-0.1 -1,-0.1 0.801 68.2 88.1 -79.0 -30.3 35.9 37.6 -4.7 105 119 A N > - 0 0 77 1,-0.2 4,-2.2 2,-0.1 3,-0.2 -0.616 63.3-161.6 -77.6 104.8 34.1 39.8 -7.1 106 120 A I H > S+ 0 0 55 -2,-1.0 4,-1.6 1,-0.3 -1,-0.2 0.856 91.5 47.1 -50.2 -46.2 33.0 43.0 -5.2 107 121 A A H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.856 108.5 56.3 -66.8 -37.2 30.4 43.9 -7.8 108 122 A E H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.901 104.4 53.2 -62.6 -40.8 29.1 40.4 -7.9 109 123 A Y H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 6,-0.2 0.924 110.3 47.8 -60.8 -43.1 28.5 40.5 -4.1 110 124 A E H X S+ 0 0 90 -4,-1.6 4,-1.1 2,-0.2 5,-0.4 0.888 111.0 48.6 -66.4 -41.7 26.5 43.7 -4.5 111 125 A E H < S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 121.4 35.9 -68.5 -35.2 24.3 42.5 -7.4 112 126 A W H < S+ 0 0 16 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.785 126.8 35.8 -88.4 -27.8 23.5 39.2 -5.6 113 127 A Y H < S- 0 0 16 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.306 102.8-122.8-109.7 10.1 23.3 40.5 -2.0 114 128 A G S < S+ 0 0 65 -4,-1.1 -4,-0.2 -5,-0.1 -3,-0.2 0.732 76.2 63.5 58.1 34.4 21.8 43.9 -2.6 115 129 A Q S S- 0 0 72 -5,-0.4 -2,-0.2 -6,-0.2 -3,-0.1 -0.908 87.4 -77.6-178.0 150.8 24.3 46.2 -1.1 116 130 A P - 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0 0 1 -2,-1.3 4,-3.2 1,-0.2 3,-1.4 -0.679 42.5-165.6 -87.6 88.0 36.0 24.0 0.9 131 145 A T H 3> S+ 0 0 0 -2,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.830 75.9 50.8 -43.6 -56.7 38.4 21.9 2.9 132 146 A E H 34 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.734 122.8 35.1 -61.4 -20.0 39.1 18.9 0.7 133 147 A I H <4 S+ 0 0 53 -3,-1.4 -2,-0.2 2,-0.1 3,-0.2 0.821 130.4 25.4-101.2 -44.2 39.9 21.3 -2.2 134 148 A L H >X S+ 0 0 42 -4,-3.2 4,-2.6 1,-0.2 3,-1.3 0.194 76.0 128.8-109.9 18.7 41.6 24.4 -0.6 135 149 A R H 3X S+ 0 0 50 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.833 71.4 57.0 -36.5 -49.4 43.1 22.8 2.5 136 150 A E H 3> S+ 0 0 118 1,-0.2 4,-0.7 -3,-0.2 -1,-0.3 0.872 113.3 37.5 -57.4 -41.7 46.5 24.3 1.8 137 151 A D H <4 S+ 0 0 78 -3,-1.3 3,-0.4 2,-0.2 -1,-0.2 0.862 112.7 57.8 -78.9 -35.1 45.3 27.9 1.7 138 152 A I H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.913 98.3 63.1 -58.8 -41.7 42.8 27.3 4.6 139 153 A K H 3< S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.8 32.8 -50.1 -45.0 45.7 26.2 6.8 140 154 A K T 3< S+ 0 0 171 -4,-0.7 -1,-0.3 -3,-0.4 2,-0.2 0.170 95.3 116.2-102.9 19.2 47.4 29.6 6.6 141 155 A A < - 0 0 4 -3,-1.8 3,-0.1 -4,-0.2 -15,-0.1 -0.577 46.6-164.3 -87.8 149.9 44.2 31.8 6.4 142 156 A R S S+ 0 0 42 -17,-0.4 -48,-3.2 1,-0.3 2,-0.4 0.825 83.7 29.6 -94.4 -45.8 43.2 34.3 9.0 143 157 A L E S-e 94 0A 0 -18,-0.4 -16,-1.7 -50,-0.2 2,-0.4 -0.961 71.0-172.2-119.2 131.3 39.6 34.7 7.8 144 158 A V E -ef 95 127A 0 -50,-1.8 -48,-1.8 -2,-0.4 2,-1.0 -0.981 18.5-145.6-126.5 136.2 37.7 31.9 6.1 145 159 A A E -ef 96 128A 0 -18,-1.3 -16,-1.2 -2,-0.4 -48,-0.2 -0.814 25.3-138.0-100.6 91.2 34.3 32.2 4.5 146 160 A N - 0 0 1 -50,-1.3 -45,-0.1 -2,-1.0 -44,-0.1 -0.211 28.2-112.7 -49.6 130.4 32.7 28.8 5.2 147 161 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 175,-0.1 -0.040 29.0 -97.2 -63.8 168.9 30.9 27.7 2.0 148 162 A G > - 0 0 3 1,-0.1 4,-1.1 62,-0.1 170,-0.1 -0.546 33.0-114.0 -83.4 155.6 27.1 27.3 1.5 149 163 A C H >> S+ 0 0 24 168,-0.3 3,-1.3 -2,-0.2 4,-1.1 0.965 112.1 43.0 -53.6 -63.3 25.5 23.9 1.9 150 164 A Y H >> S+ 0 0 3 1,-0.3 4,-1.1 2,-0.2 3,-0.7 0.923 110.5 54.8 -50.6 -53.1 24.3 23.4 -1.7 151 165 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.754 102.6 62.5 -55.7 -21.4 27.6 24.7 -3.3 152 166 A T H S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.937 127.6 40.3 -71.5 -42.1 32.2 16.2 -7.1 158 172 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.1 5,-0.3 0.843 100.2 68.7 -77.5 -33.8 32.6 18.6 -10.0 159 173 A V H X S+ 0 0 7 -4,-3.7 4,-2.6 -5,-0.2 5,-0.2 0.946 102.2 44.5 -52.3 -57.8 35.9 20.3 -9.3 160 174 A P H > S+ 0 0 10 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.860 113.8 52.4 -54.4 -38.0 38.2 17.2 -9.8 161 175 A L H <>S+ 0 0 0 -4,-0.7 5,-2.7 2,-0.2 6,-0.5 0.937 111.8 43.7 -65.9 -46.0 36.2 16.3 -13.0 162 176 A L H ><5S+ 0 0 8 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.868 111.0 56.2 -64.7 -37.8 36.6 19.7 -14.6 163 177 A K H 3<5S+ 0 0 135 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.830 110.7 44.3 -64.3 -31.8 40.3 19.8 -13.5 164 178 A A T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.431 111.7-122.4 -91.6 0.4 40.8 16.5 -15.4 165 179 A N T < 5S+ 0 0 127 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.884 70.9 134.4 60.5 38.4 38.8 17.8 -18.4 166 180 A L < + 0 0 27 -5,-2.7 84,-2.1 -6,-0.1 2,-0.3 0.554 64.9 35.5 -93.3 -12.0 36.5 14.8 -18.0 167 181 A I B S-H 249 0C 8 -6,-0.5 82,-0.3 82,-0.3 2,-0.1 -0.973 84.7-110.1-140.6 153.8 33.3 16.9 -18.4 168 182 A K - 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0 0 5 -4,-0.3 -64,-0.1 1,-0.1 3,-0.1 -0.833 55.7-164.0-113.0 147.6 36.3 -11.8 22.5 416 84 B D S S+ 0 0 73 -66,-1.3 23,-1.3 -2,-0.3 2,-0.3 0.747 82.3 21.1 -93.9 -31.5 36.4 -10.3 26.0 417 85 B A E -bd 351 439G 0 -67,-1.6 -65,-2.3 21,-0.2 2,-0.3 -0.982 67.2-159.3-139.5 150.7 32.9 -8.9 26.0 418 86 B V E -bd 352 440G 0 21,-2.0 23,-1.9 -2,-0.3 2,-0.5 -0.969 10.4-154.5-133.8 145.7 29.7 -9.6 24.1 419 87 B F E -bd 353 441G 1 -67,-2.8 -65,-2.2 -2,-0.3 2,-0.6 -0.982 22.9-149.6-114.4 127.1 26.5 -7.7 23.3 420 88 B C E +bd 354 442G 0 21,-3.2 23,-3.1 -2,-0.5 24,-0.6 -0.891 34.3 155.8-109.2 123.3 23.6 -10.0 22.5 421 89 B C + 0 0 22 -67,-2.0 3,-0.1 -2,-0.6 -1,-0.1 0.067 26.3 155.5-122.6 19.4 20.7 -9.1 20.2 422 90 B L - 0 0 11 1,-0.1 2,-0.3 5,-0.1 5,-0.1 0.080 58.1 -84.2 -44.3 160.3 19.7 -12.7 19.4 423 91 B P > - 0 0 89 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.586 56.0 -96.2 -72.5 130.9 16.1 -13.1 18.2 424 92 B H T 3 S+ 0 0 83 -2,-0.3 -3,-0.0 1,-0.3 0, 0.0 -0.155 115.1 34.3 -43.9 135.9 13.8 -13.4 21.3 425 93 B G T 3 S+ 0 0 13 -3,-0.1 -1,-0.3 36,-0.0 4,-0.2 0.147 114.1 59.8 100.0 -20.9 13.3 -17.2 21.9 426 94 B T S <> S+ 0 0 63 -3,-2.7 4,-1.2 2,-0.1 -2,-0.2 0.365 83.1 82.6-118.1 0.8 16.8 -18.1 20.8 427 95 B T H > S+ 0 0 0 -4,-0.4 4,-2.9 2,-0.2 5,-0.3 0.926 82.8 56.1 -72.7 -48.7 18.7 -16.1 23.3 428 96 B Q H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.956 109.1 44.8 -51.5 -59.6 18.6 -18.4 26.3 429 97 B E H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.918 117.0 45.2 -53.6 -48.0 20.2 -21.5 24.6 430 98 B I H < S+ 0 0 45 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.946 119.9 40.1 -62.2 -47.7 22.9 -19.5 22.9 431 99 B I H >< S+ 0 0 1 -4,-2.9 3,-2.4 1,-0.2 -2,-0.2 0.944 110.8 55.7 -66.4 -51.1 23.8 -17.5 26.1 432 100 B K H 3< S+ 0 0 68 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.778 114.7 42.5 -53.0 -28.8 23.5 -20.3 28.5 433 101 B E T 3< S+ 0 0 130 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.347 87.0 124.1-100.9 3.9 26.0 -22.2 26.4 434 102 B L S < S- 0 0 15 -3,-2.4 4,-0.1 1,-0.1 -3,-0.1 -0.305 75.0 -81.8 -63.5 149.4 28.3 -19.2 25.8 435 103 B P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.101 40.7-112.9 -46.0 166.0 32.0 -19.7 26.9 436 104 B T S S+ 0 0 123 1,-0.1 2,-0.6 -3,-0.1 -2,-0.1 1.000 99.3 59.1 -65.8 -75.3 33.0 -19.3 30.5 437 105 B A S S+ 0 0 81 2,-0.0 2,-0.2 -20,-0.0 -1,-0.1 -0.469 82.0 104.0 -64.3 109.5 35.2 -16.2 30.6 438 106 B L - 0 0 12 -2,-0.6 2,-0.4 -4,-0.1 -21,-0.2 -0.686 62.2-133.0 171.7 128.5 33.0 -13.5 29.2 439 107 B K E -d 417 0G 45 -23,-1.3 -21,-2.0 -2,-0.2 2,-0.4 -0.799 36.3-162.2 -88.3 133.7 31.0 -10.4 30.4 440 108 B I E -de 418 489G 0 48,-2.8 50,-2.8 -2,-0.4 2,-0.5 -0.968 21.4-175.1-129.1 128.6 27.6 -10.6 28.7 441 109 B V E -de 419 490G 0 -23,-1.9 -21,-3.2 -2,-0.4 2,-0.5 -0.967 11.8-164.3-120.0 116.0 24.9 -8.0 28.1 442 110 B D E -de 420 491G 0 48,-2.7 50,-3.0 -2,-0.5 -21,-0.2 -0.877 11.7-167.1 -99.3 126.2 21.7 -9.3 26.5 443 111 B L + 0 0 15 -23,-3.1 -22,-0.2 -2,-0.5 -1,-0.1 0.653 62.7 100.1 -86.1 -12.0 19.3 -6.7 25.1 444 112 B S S S- 0 0 13 -24,-0.6 3,-0.4 1,-0.1 48,-0.1 -0.121 79.5-127.6 -64.9 164.6 16.6 -9.3 24.8 445 113 B A S >> S+ 0 0 13 1,-0.2 3,-1.0 2,-0.1 4,-0.8 0.507 86.1 97.5 -92.7 -4.9 13.8 -9.6 27.4 446 114 B D T 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.1 45,-0.0 0.617 90.6 34.7 -61.6 -19.3 14.5 -13.3 28.0 447 115 B F T 34 S+ 0 0 1 -3,-0.4 -1,-0.2 45,-0.1 44,-0.2 0.391 97.4 85.4-114.9 0.6 16.7 -12.8 31.1 448 116 B R T <4 S+ 0 0 21 -3,-1.0 2,-0.4 44,-0.1 -2,-0.1 0.928 72.4 76.9 -67.3 -48.9 14.8 -9.8 32.6 449 117 B L < - 0 0 2 -4,-0.8 6,-0.1 1,-0.1 110,-0.1 -0.528 63.2-159.3 -73.1 122.8 12.1 -11.7 34.5 450 118 B R S S+ 0 0 112 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.020 77.1 70.6 -89.1 27.5 13.3 -13.2 37.8 451 119 B N >> - 0 0 73 1,-0.1 4,-1.7 2,-0.0 3,-1.1 -0.782 63.7-161.9-150.0 96.3 10.4 -15.7 37.8 452 120 B I H 3> S+ 0 0 42 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.777 91.9 61.4 -46.8 -36.2 10.4 -18.5 35.3 453 121 B A H 3> S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.920 106.3 44.1 -61.9 -44.2 6.7 -19.0 35.8 454 122 B E H <> S+ 0 0 42 -3,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.822 106.3 62.7 -69.8 -30.8 5.9 -15.4 34.7 455 123 B Y H X S+ 0 0 1 -4,-1.7 4,-1.0 1,-0.2 3,-0.3 0.904 107.8 43.0 -60.1 -41.7 8.2 -15.8 31.7 456 124 B E H >X S+ 0 0 84 -4,-1.7 4,-2.7 1,-0.2 3,-0.6 0.955 110.8 51.4 -69.9 -53.2 6.1 -18.7 30.4 457 125 B E H 3< S+ 0 0 128 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.561 119.7 37.9 -65.1 -6.6 2.6 -17.2 30.9 458 126 B W H 3< S+ 0 0 20 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.540 128.2 30.4-116.3 -14.4 3.7 -14.0 29.2 459 127 B Y H << S- 0 0 30 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.2 0.439 96.6-124.3-124.8 -1.8 5.9 -15.5 26.4 460 128 B G S < S+ 0 0 71 -4,-2.7 -4,-0.1 1,-0.1 -3,-0.1 0.926 77.6 75.7 58.1 53.1 4.3 -18.9 25.7 461 129 B Q S S- 0 0 55 -5,-0.3 -2,-0.2 -6,-0.1 -3,-0.2 -0.856 80.4 -97.1 177.2 146.8 7.4 -21.0 26.2 462 130 B P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 -9,-0.1 -0.339 42.8-102.4 -73.9 157.8 9.5 -22.4 29.0 463 131 B H - 0 0 14 1,-0.1 3,-0.4 -11,-0.1 -16,-0.0 -0.675 27.4-162.8 -79.5 126.7 12.7 -20.8 30.2 464 132 B K S S+ 0 0 75 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.327 83.8 46.8 -95.0 7.7 15.7 -22.8 28.8 465 133 B A > + 0 0 3 1,-0.1 4,-2.2 2,-0.1 -1,-0.2 -0.265 64.2 153.6-143.9 53.9 18.2 -21.4 31.2 466 134 B V H > S+ 0 0 63 -3,-0.4 4,-0.7 1,-0.2 -1,-0.1 0.904 74.7 41.7 -47.0 -61.0 16.6 -21.6 34.7 467 135 B E H >4 S+ 0 0 126 1,-0.2 3,-1.6 2,-0.2 4,-0.5 0.927 113.2 52.4 -58.7 -48.8 19.8 -21.8 36.8 468 136 B L H >4 S+ 0 0 22 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.882 96.8 69.2 -55.6 -38.8 21.7 -19.2 34.9 469 137 B Q H >< S+ 0 0 9 -4,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.810 90.3 65.0 -49.7 -31.8 18.7 -16.8 35.3 470 138 B K T << S+ 0 0 147 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.782 99.0 49.1 -65.2 -31.3 19.7 -16.7 39.0 471 139 B E T < S+ 0 0 89 -3,-2.0 18,-0.5 -4,-0.5 17,-0.4 0.430 89.3 110.3 -89.7 2.9 23.0 -15.0 38.4 472 140 B V < - 0 0 12 -3,-1.2 2,-0.4 -4,-0.5 18,-0.2 -0.610 53.4-156.0 -83.1 135.1 21.5 -12.3 36.1 473 141 B V E -f 490 0G 29 16,-1.4 18,-1.5 -2,-0.3 2,-0.3 -0.918 25.8-113.8-109.2 133.1 21.2 -8.7 37.3 474 142 B Y E -f 491 0G 9 -2,-0.4 2,-0.4 16,-0.2 18,-0.2 -0.493 25.8-135.9 -65.5 126.6 18.6 -6.4 35.8 475 143 B G + 0 0 0 16,-2.7 2,-2.0 -2,-0.3 -1,-0.1 0.019 59.2 132.1 -79.8 28.4 20.4 -3.7 33.9 476 144 B L >> - 0 0 2 -2,-0.4 4,-2.2 1,-0.2 3,-1.3 -0.629 45.6-163.6 -79.0 86.7 18.5 -0.6 35.0 477 145 B T H >> S+ 0 0 0 -2,-2.0 4,-1.8 1,-0.3 3,-0.7 0.873 73.4 49.3 -39.8 -80.0 21.8 1.2 35.7 478 146 B E H 34 S+ 0 0 20 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.676 122.2 39.8 -42.6 -18.9 21.1 4.2 38.0 479 147 B I H <4 S+ 0 0 53 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.798 128.3 24.9-102.4 -33.3 19.1 1.9 40.2 480 148 B L H XX S+ 0 0 42 -4,-2.2 4,-2.1 -3,-0.7 3,-0.9 0.163 75.0 128.1-120.2 18.7 21.2 -1.4 40.3 481 149 B R H 3X + 0 0 51 -4,-1.8 4,-2.3 1,-0.2 -1,-0.1 0.835 68.9 61.0 -39.3 -52.2 24.7 -0.2 39.5 482 150 B E H 3> S+ 0 0 114 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.885 111.9 36.4 -47.6 -50.9 26.2 -2.0 42.5 483 151 B D H X> S+ 0 0 80 -3,-0.9 4,-0.7 1,-0.2 3,-0.5 0.850 111.9 61.9 -72.5 -34.9 25.2 -5.4 41.4 484 152 B I H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.897 96.7 58.2 -57.1 -45.9 25.8 -4.6 37.7 485 153 B K H 3< S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 115.0 36.1 -55.7 -36.1 29.5 -4.0 38.3 486 154 B K H << S+ 0 0 142 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.407 95.1 105.4-102.4 3.7 30.1 -7.4 39.6 487 155 B A << - 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