==== 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 LYASE 14-MAY-07 2PXZ . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.T.J.DELBAERE,J.J.H.COTELESAGE,H.GOLDIE . 526 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 3 1 0 0 1 2 0 1 0 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 0 3 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 . 4 1 5 2 4 0 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 . 2 0 1 1 0 0 0 2 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 9 X P > 0 0 68 0, 0.0 4,-1.4 0, 0.0 11,-0.3 0.000 360.0 360.0 360.0 -56.4 60.9 -17.8 14.2 2 10 X Q H > + 0 0 164 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.736 360.0 59.6 -77.0 -29.0 60.8 -21.1 12.3 3 11 X E H > S+ 0 0 59 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.868 105.4 46.9 -59.6 -41.7 57.1 -20.8 12.8 4 12 X L H >4>S+ 0 0 8 1,-0.2 5,-1.9 2,-0.2 3,-1.1 0.903 107.1 57.7 -64.8 -43.3 57.3 -17.4 10.9 5 13 X E H ><5S+ 0 0 51 -4,-1.4 3,-1.2 1,-0.3 -2,-0.2 0.787 98.3 61.2 -54.7 -29.6 59.4 -19.2 8.3 6 14 X A H 3<5S+ 0 0 86 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.806 100.4 53.3 -71.3 -28.5 56.4 -21.6 7.9 7 15 X Y T <<5S- 0 0 37 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.498 129.4 -99.8 -77.5 -7.1 54.3 -18.7 6.8 8 16 X G T < 5S+ 0 0 37 -3,-1.2 2,-0.6 -4,-0.3 -3,-0.2 0.381 86.0 127.0 97.5 0.4 57.0 -17.8 4.2 9 17 X I < - 0 0 1 -5,-1.9 3,-0.3 -6,-0.1 2,-0.3 -0.809 39.9-169.7 -97.1 119.7 58.6 -15.1 6.3 10 18 X S + 0 0 56 -2,-0.6 97,-1.7 92,-0.4 3,-0.1 -0.683 48.6 17.4-114.7 161.0 62.4 -15.5 6.8 11 19 X D + 0 0 122 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.827 66.7 169.1 64.4 34.5 65.3 -14.2 8.7 12 20 X V + 0 0 16 -3,-0.3 -1,-0.2 -11,-0.3 97,-0.1 -0.723 6.9 172.4 -81.4 118.0 63.2 -12.5 11.4 13 21 X H + 0 0 154 -2,-0.7 2,-0.5 95,-0.4 -1,-0.2 0.839 63.0 44.9 -93.1 -38.5 65.6 -11.5 14.1 14 22 X D - 0 0 102 94,-0.5 96,-2.3 2,-0.0 2,-0.5 -0.963 65.7-177.4-117.4 119.2 63.4 -9.4 16.4 15 23 X I E -a 110 0A 71 -2,-0.5 2,-0.8 94,-0.2 96,-0.2 -0.974 11.4-166.4-123.4 121.0 59.9 -10.7 17.2 16 24 X V E -a 111 0A 27 94,-3.0 96,-2.6 -2,-0.5 2,-0.4 -0.884 15.4-170.2-109.9 95.7 57.6 -8.8 19.4 17 25 X Y E -a 112 0A 95 -2,-0.8 96,-0.2 1,-0.2 94,-0.0 -0.731 67.1 -8.4 -86.0 130.5 54.9 -11.2 20.4 18 26 X N S S- 0 0 55 94,-2.7 -1,-0.2 -2,-0.4 95,-0.1 0.944 85.4-148.3 50.1 57.2 51.7 -9.9 22.1 19 27 X P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.286 11.1-125.6 -60.0 136.7 53.1 -6.2 22.6 20 28 X S > - 0 0 58 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.283 21.1-108.9 -71.2 168.7 51.8 -4.5 25.7 21 29 X Y H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 278,-0.1 0.882 120.2 52.9 -63.8 -39.5 50.1 -1.1 25.6 22 30 X D H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 109.6 47.8 -67.1 -39.8 53.2 0.4 27.2 23 31 X L H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 110.6 50.3 -66.2 -42.2 55.5 -1.0 24.6 24 32 X L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 109.2 54.1 -62.8 -38.6 53.3 0.1 21.8 25 33 X Y H X S+ 0 0 51 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.943 112.5 42.1 -55.9 -52.1 53.2 3.7 23.4 26 34 X Q H X S+ 0 0 124 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.850 112.1 54.8 -71.1 -33.8 57.0 3.9 23.5 27 35 X E H < S+ 0 0 37 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.893 110.5 46.6 -56.0 -46.9 57.4 2.4 20.0 28 36 X E H < S+ 0 0 2 -4,-2.2 11,-2.8 1,-0.2 -2,-0.2 0.814 114.5 45.1 -68.8 -34.0 55.1 5.1 18.5 29 37 X L H < S+ 0 0 48 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.461 75.7 134.9 -92.6 -0.6 56.8 8.0 20.2 30 38 X D >< - 0 0 62 -4,-0.6 3,-1.8 -3,-0.5 9,-0.1 -0.259 52.9-144.8 -45.3 116.1 60.3 6.8 19.4 31 39 X P T 3 S+ 0 0 134 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.641 93.3 63.7 -73.4 -4.7 61.9 10.1 18.2 32 40 X S T 3 S+ 0 0 87 2,-0.1 -2,-0.1 0, 0.0 6,-0.1 0.610 76.8 112.4 -88.0 -12.4 64.0 8.3 15.6 33 41 X L < - 0 0 31 -3,-1.8 2,-0.3 -6,-0.1 -5,-0.0 -0.228 52.2-154.4 -58.4 145.2 61.0 7.0 13.6 34 42 X T > - 0 0 105 4,-0.0 3,-1.1 0, 0.0 4,-0.3 -0.803 44.5 -11.1-119.4 162.3 60.4 8.4 10.1 35 43 X G G > S- 0 0 37 -2,-0.3 3,-1.6 1,-0.2 15,-0.1 -0.021 120.2 -8.0 56.6-144.5 57.4 8.9 7.8 36 44 X Y G 3 S+ 0 0 93 1,-0.3 14,-0.3 13,-0.1 -1,-0.2 0.563 123.0 70.5 -71.8 -6.6 54.0 7.3 8.4 37 45 X E G < S+ 0 0 28 -3,-1.1 -1,-0.3 12,-0.1 98,-0.3 0.751 77.1 104.9 -71.0 -28.6 55.2 5.2 11.4 38 46 X R < - 0 0 148 -3,-1.6 12,-0.5 -4,-0.3 2,-0.3 -0.301 52.2-163.1 -66.5 137.0 55.7 8.2 13.6 39 47 X G E -I 49 0B 12 -11,-2.8 2,-0.4 -9,-0.1 10,-0.2 -0.786 4.1-153.0-107.1 162.3 53.3 9.0 16.4 40 48 X V E -I 48 0B 72 8,-2.1 8,-2.5 -2,-0.3 2,-0.4 -0.991 19.6-122.9-129.3 142.4 52.9 12.3 18.3 41 49 X L E -I 47 0B 80 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.726 26.8-155.1 -81.5 131.1 51.6 12.6 21.8 42 50 X T > - 0 0 5 4,-2.1 3,-2.0 -2,-0.4 270,-0.2 -0.618 30.4-106.8 -97.9 162.2 48.5 14.9 22.2 43 51 X N T 3 S+ 0 0 99 268,-2.3 269,-0.1 1,-0.3 -1,-0.1 0.666 117.6 66.5 -59.2 -21.1 47.4 16.8 25.3 44 52 X L T 3 S- 0 0 41 267,-0.4 254,-0.3 2,-0.2 -1,-0.3 0.537 118.0-111.7 -78.8 -4.6 44.6 14.3 25.8 45 53 X G S < S+ 0 0 25 -3,-2.0 2,-0.3 1,-0.3 254,-0.2 0.278 80.9 116.6 93.7 -9.4 47.3 11.6 26.5 46 54 X A - 0 0 0 252,-0.2 -4,-2.1 250,-0.2 -1,-0.3 -0.686 66.0-118.7 -92.7 145.6 46.6 9.6 23.3 47 55 X V E -Ij 41 301B 2 253,-0.8 255,-2.7 -2,-0.3 2,-0.4 -0.591 24.7-153.6 -79.7 140.5 49.0 9.1 20.5 48 56 X A E -Ij 40 302B 6 -8,-2.5 -8,-2.1 -2,-0.2 2,-0.3 -0.945 14.1-178.1-116.6 134.4 48.1 10.4 17.0 49 57 X V E -Ij 39 303B 9 253,-2.7 255,-2.8 -2,-0.4 2,-0.5 -0.899 27.5-124.8-127.5 165.4 49.4 9.0 13.8 50 58 X D - 0 0 64 -12,-0.5 3,-0.1 -14,-0.3 253,-0.1 -0.937 14.3-153.6-104.9 124.8 49.0 9.7 10.1 51 59 X T > - 0 0 0 -2,-0.5 3,-0.6 1,-0.3 147,-0.5 0.437 40.0-130.5 -85.6 -2.1 47.7 6.6 8.1 52 60 X G T 3 - 0 0 0 1,-0.2 -1,-0.3 146,-0.1 145,-0.1 -0.567 59.8 -15.2 101.7-153.8 49.4 7.8 4.9 53 61 X I T 3 S+ 0 0 140 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.823 125.9 69.3 -59.8 -32.3 48.1 8.2 1.4 54 62 X F < + 0 0 43 -3,-0.6 144,-0.1 142,-0.1 3,-0.1 -0.824 49.4 162.7 -96.3 126.7 45.1 6.0 2.4 55 63 X T S S+ 0 0 30 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.139 72.2 17.2-125.7 2.3 42.7 7.6 4.9 56 64 X G S S- 0 0 20 -5,-0.1 143,-0.2 265,-0.0 146,-0.1 -0.934 101.3 -60.8-159.4-177.0 39.9 5.2 4.2 57 65 X R - 0 0 89 -2,-0.3 -2,-0.1 -3,-0.1 3,-0.1 -0.192 35.4-137.5 -71.0 168.6 39.4 1.8 2.7 58 66 X S > + 0 0 15 1,-0.1 3,-1.8 -4,-0.1 125,-0.1 -0.758 23.3 175.0-127.8 79.6 40.1 1.0 -1.0 59 67 X P G > S+ 0 0 47 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.789 77.4 64.1 -57.0 -27.5 37.2 -1.2 -2.2 60 68 X K G 3 S+ 0 0 136 1,-0.3 118,-0.3 -3,-0.1 119,-0.1 0.621 101.4 49.0 -75.5 -13.3 38.7 -1.1 -5.7 61 69 X D G < S+ 0 0 3 -3,-1.8 122,-2.5 117,-0.1 2,-0.6 0.164 84.7 116.1-106.7 16.4 41.8 -3.0 -4.6 62 70 X K E < +b 183 0A 16 -3,-1.3 25,-1.0 120,-0.2 2,-0.3 -0.786 39.0 171.5 -93.8 120.6 39.8 -5.7 -2.8 63 71 X Y E -bc 184 87A 14 120,-2.3 122,-2.1 -2,-0.6 2,-0.4 -0.930 20.5-161.8-129.5 148.4 40.2 -9.2 -4.3 64 72 X I E -bc 185 88A 1 23,-2.7 25,-1.5 -2,-0.3 2,-0.2 -0.980 32.3-112.8-123.4 115.9 39.1 -12.6 -3.1 65 73 X V E - c 0 89A 0 120,-2.7 2,-0.7 -2,-0.4 122,-0.3 -0.576 25.6-143.3 -59.9 122.9 40.8 -15.8 -4.7 66 74 X R + 0 0 45 23,-2.8 2,-0.2 -2,-0.2 -1,-0.1 -0.841 44.7 136.7 -90.5 112.2 38.2 -17.7 -6.8 67 75 X D S > S- 0 0 20 -2,-0.7 4,-2.8 23,-0.1 3,-0.1 -0.675 72.2 -75.8-138.8-172.6 39.0 -21.4 -6.2 68 76 X D T 4 S+ 0 0 136 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.755 127.9 56.7 -67.2 -20.5 36.8 -24.6 -5.6 69 77 X T T 4 S+ 0 0 78 1,-0.1 -1,-0.2 2,-0.1 -3,-0.1 0.913 123.3 21.4 -74.2 -38.8 36.2 -23.5 -2.0 70 78 X T T >> S+ 0 0 0 -5,-0.2 4,-2.3 -3,-0.1 3,-1.8 0.652 96.7 93.1-100.5 -21.8 34.7 -20.1 -2.9 71 79 X R T 3< S+ 0 0 111 -4,-2.8 5,-0.2 1,-0.3 -3,-0.1 0.863 98.7 28.5 -44.2 -54.2 33.5 -20.4 -6.6 72 80 X D T 34 S+ 0 0 148 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.312 125.2 45.4 -96.3 8.5 29.9 -21.4 -5.9 73 81 X T T <4 S+ 0 0 48 -3,-1.8 331,-0.3 330,-0.0 -2,-0.2 0.730 89.1 86.6-117.9 -38.9 29.4 -19.7 -2.5 74 82 X F S < S- 0 0 4 -4,-2.3 2,-1.1 329,-0.1 329,-0.2 -0.269 78.2-119.2 -69.6 147.8 30.8 -16.2 -2.8 75 83 X W - 0 0 3 327,-2.3 11,-0.3 328,-0.1 2,-0.2 -0.809 43.4-156.6 -83.4 96.8 29.0 -13.1 -4.1 76 84 X W > > - 0 0 11 -2,-1.1 3,-1.0 -5,-0.2 5,-0.5 -0.490 21.8-136.7 -90.4 144.6 31.3 -12.4 -7.0 77 85 X A T 3 5S+ 0 0 37 9,-2.8 3,-0.3 1,-0.2 6,-0.3 0.715 103.7 45.0 -71.5 -19.1 31.7 -9.0 -8.7 78 86 X D T 3 5S+ 0 0 72 8,-0.4 -1,-0.2 1,-0.2 9,-0.1 0.349 89.2 82.7-109.6 5.3 31.6 -10.5 -12.1 79 87 X K T < 5S- 0 0 136 -3,-1.0 -1,-0.2 2,-0.0 -2,-0.1 -0.024 97.8-113.3-107.4 32.5 28.7 -13.0 -12.0 80 88 X G T 5S+ 0 0 81 -3,-0.3 -3,-0.1 1,-0.1 -2,-0.1 0.663 77.2 126.7 55.2 26.0 25.8 -10.5 -12.6 81 89 X K S - 0 0 40 -2,-0.4 4,-2.3 -25,-0.2 5,-0.1 -0.531 21.6-122.5 -76.4 150.0 43.5 -16.4 -9.4 91 99 X P H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.825 111.4 59.2 -56.0 -35.9 45.6 -18.6 -7.1 92 100 X E H > S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.931 107.6 41.7 -66.9 -45.8 48.6 -17.8 -9.2 93 101 X T H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 109.3 60.4 -73.6 -31.3 48.5 -14.1 -8.7 94 102 X W H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.941 103.5 52.2 -45.7 -53.8 47.6 -14.7 -5.0 95 103 X Q H X S+ 0 0 122 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.902 108.0 49.9 -56.4 -40.5 51.0 -16.5 -4.8 96 104 X H H X S+ 0 0 117 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.918 111.0 49.5 -59.2 -44.7 52.8 -13.5 -6.3 97 105 X L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.824 109.8 51.9 -65.3 -35.7 51.0 -11.2 -3.8 98 106 X K H X S+ 0 0 52 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.853 106.8 52.7 -70.4 -38.2 52.1 -13.5 -1.0 99 107 X G H X S+ 0 0 14 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.899 108.2 51.9 -58.2 -44.2 55.7 -13.4 -2.1 100 108 X L H X S+ 0 0 30 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.947 115.6 39.5 -60.5 -51.7 55.6 -9.6 -2.1 101 109 X V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 3,-0.3 0.956 115.9 48.7 -66.6 -51.1 54.2 -9.3 1.5 102 110 X T H X S+ 0 0 14 -4,-2.5 4,-1.0 1,-0.2 -92,-0.4 0.869 113.2 48.8 -57.9 -39.1 56.3 -12.2 3.0 103 111 X R H < S+ 0 0 158 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.818 110.0 51.7 -65.8 -32.7 59.5 -10.8 1.5 104 112 X Q H < S+ 0 0 44 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.889 112.8 45.3 -69.0 -38.6 58.7 -7.2 2.8 105 113 X L H >< S+ 0 0 0 -4,-2.3 3,-1.0 -5,-0.1 -1,-0.2 0.659 94.5 100.4 -81.4 -18.3 58.2 -8.6 6.3 106 114 X S T 3< S+ 0 0 24 -4,-1.0 -95,-0.2 1,-0.2 3,-0.1 -0.452 87.6 15.9 -69.1 141.8 61.4 -10.7 6.1 107 115 X G T 3 S+ 0 0 52 -97,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.659 107.3 113.3 66.1 18.4 64.5 -9.4 7.8 108 116 X K S < S- 0 0 65 -3,-1.0 2,-0.6 -94,-0.0 -94,-0.5 -0.720 79.6-103.7-111.8 158.7 62.3 -6.9 9.7 109 117 X R - 0 0 74 -2,-0.3 2,-0.4 -96,-0.1 -94,-0.2 -0.819 49.8-156.8 -75.7 126.6 61.4 -6.5 13.3 110 118 X L E -a 15 0A 0 -96,-2.3 -94,-3.0 -2,-0.6 2,-0.4 -0.879 19.0-149.1-113.9 143.4 57.8 -7.9 13.5 111 119 X F E -aD 16 131A 0 20,-3.1 20,-2.2 -2,-0.4 2,-0.5 -0.893 15.5-164.9 -98.4 135.9 54.9 -7.5 15.8 112 120 X V E -aD 17 130A 8 -96,-2.6 -94,-2.7 -2,-0.4 2,-0.5 -0.990 5.2-172.2-123.1 114.5 52.7 -10.5 16.1 113 121 X V E - D 0 129A 6 16,-2.7 16,-3.0 -2,-0.5 2,-0.4 -0.960 7.1-160.2-113.1 122.9 49.3 -9.9 17.6 114 122 X D E + D 0 128A 1 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.827 29.1 147.1 -95.4 134.7 47.0 -12.9 18.5 115 123 X A E - D 0 127A 2 12,-2.6 12,-2.5 -2,-0.4 2,-0.3 -0.967 40.4-111.1-155.2 168.0 43.4 -12.0 18.9 116 124 X F E -ED 145 126A 7 29,-2.5 29,-2.8 -2,-0.3 2,-0.5 -0.833 8.7-156.4-105.0 144.9 39.8 -13.2 18.4 117 125 X C E S+ D 0 125A 0 8,-2.1 8,-2.5 -2,-0.3 157,-0.2 -0.989 75.4 34.8-113.7 113.8 37.1 -12.0 16.0 118 126 X G S S- 0 0 0 155,-2.2 155,-0.2 -2,-0.5 6,-0.1 0.148 77.2-120.8 109.5 135.5 33.8 -12.9 17.6 119 127 X A S S+ 0 0 13 153,-0.9 154,-0.1 222,-0.2 -1,-0.1 0.667 89.6 75.8 -79.0 -18.9 32.8 -13.0 21.3 120 128 X N S >> S- 0 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-4,-0.2 2,-0.5 -0.796 40.4-126.0-105.3 129.7 5.7 5.4 6.4 468 481 X A E +VW 365 461D 28 -103,-0.6 -103,-1.0 -2,-0.5 -7,-0.2 -0.604 38.7 176.2 -67.9 116.2 3.9 5.5 9.7 469 482 X I E - W 0 460D 0 -9,-2.4 -9,-2.1 -2,-0.5 -105,-0.1 -0.954 27.8-110.4-126.5 144.8 5.2 8.6 11.5 470 483 X P E - W 0 459D 3 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.440 5.3-142.1 -76.4 153.3 4.1 10.0 14.9 471 484 X T S S- 0 0 65 -13,-2.2 2,-0.3 1,-0.3 -12,-0.1 0.691 87.8 -8.3 -78.9 -23.9 2.1 13.2 15.4 472 485 X E - 0 0 127 -14,-0.5 -1,-0.3 9,-0.1 -14,-0.2 -0.950 61.7-157.7-167.2 156.2 4.3 13.9 18.5 473 486 X L > - 0 0 9 3,-0.4 3,-2.0 -2,-0.3 2,-0.1 -1.000 34.5 -96.3-139.3 140.1 7.0 12.3 20.8 474 487 X P T 3 S+ 0 0 86 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.271 110.4 3.2 -43.6 117.5 8.3 12.8 24.4 475 488 X G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -2,-0.1 -31,-0.2 0.420 107.4 110.6 82.5 -3.0 11.4 15.1 24.3 476 489 X V S < S- 0 0 11 -3,-2.0 -3,-0.4 -32,-0.1 2,-0.2 -0.878 75.7-113.4-108.0 134.8 11.2 15.7 20.5 477 490 X D > - 0 0 83 -2,-0.4 3,-0.5 1,-0.1 4,-0.4 -0.526 27.6-143.2 -57.9 127.0 10.4 19.0 18.7 478 491 X T G >> S+ 0 0 66 -2,-0.2 3,-1.0 1,-0.2 4,-0.5 0.830 90.0 68.0 -71.2 -33.5 7.1 18.2 17.0 479 492 X K G 34 S+ 0 0 128 1,-0.2 3,-0.4 2,-0.2 6,-0.3 0.795 97.1 52.0 -54.9 -38.7 7.7 20.3 13.9 480 493 X I G <4 S+ 0 0 15 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.735 89.7 80.0 -74.0 -20.9 10.6 18.0 12.6 481 494 X L T <4 S+ 0 0 2 -3,-1.0 -118,-0.4 -4,-0.4 -1,-0.2 0.818 91.1 51.5 -63.6 -41.3 8.5 14.8 12.9 482 495 X D S >< S- 0 0 19 -4,-0.5 3,-1.7 -3,-0.4 4,-0.3 -0.906 81.2-151.5 -92.1 113.8 6.7 15.4 9.6 483 496 X P G > S+ 0 0 1 0, 0.0 3,-0.7 0, 0.0 -51,-0.4 0.651 88.8 71.4 -66.8 -13.7 9.4 16.1 7.1 484 497 X R G > S+ 0 0 56 1,-0.2 3,-1.1 2,-0.1 9,-0.2 0.730 86.4 66.5 -67.6 -26.1 7.0 18.3 5.0 485 498 X N G < S+ 0 0 73 -3,-1.7 -1,-0.2 -6,-0.3 -5,-0.1 0.618 87.6 66.3 -70.9 -18.2 7.1 21.0 7.7 486 499 X T G < S+ 0 0 18 -3,-0.7 -1,-0.2 -4,-0.3 2,-0.2 0.477 96.1 67.5 -90.6 -1.5 10.7 21.8 7.2 487 500 X Y S < S- 0 0 40 -3,-1.1 -54,-0.1 -4,-0.1 -55,-0.0 -0.700 96.4-103.9-111.6 167.0 10.0 23.2 3.6 488 501 X A S S- 0 0 92 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.0 0.823 104.5 -5.7 -58.6 -36.0 8.0 26.3 2.4 489 502 X S S >> S- 0 0 40 -5,-0.1 3,-1.5 1,-0.0 4,-1.1 -0.970 74.8-106.2-153.6 155.3 5.1 24.0 1.4 490 503 X P H 3> S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.786 116.4 68.4 -57.8 -22.2 4.5 20.3 1.3 491 504 X E H 3> S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.765 95.8 52.7 -68.0 -27.3 4.8 20.6 -2.5 492 505 X Q H <> S+ 0 0 97 -3,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.834 109.8 48.0 -75.7 -36.9 8.5 21.4 -2.2 493 506 X W H X S+ 0 0 0 -4,-1.1 4,-3.2 -9,-0.2 -2,-0.2 0.936 109.4 54.9 -63.4 -42.0 9.0 18.3 -0.2 494 507 X Q H X S+ 0 0 56 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.857 100.7 57.4 -60.9 -40.0 7.0 16.3 -2.8 495 508 X E H X S+ 0 0 151 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.947 114.2 39.4 -56.5 -46.1 9.2 17.4 -5.6 496 509 X K H X S+ 0 0 23 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.912 111.4 57.0 -70.7 -43.7 12.2 15.9 -3.7 497 510 X A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.900 106.8 51.5 -52.2 -44.5 10.2 12.8 -2.5 498 511 X E H X S+ 0 0 94 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.914 109.2 47.3 -62.7 -48.0 9.5 12.0 -6.1 499 512 X T H X S+ 0 0 80 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.903 115.4 47.5 -57.0 -44.5 13.1 12.2 -7.3 500 513 X L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 108.7 53.6 -67.4 -41.6 14.2 10.0 -4.3 501 514 X A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.902 105.5 53.1 -61.7 -44.6 11.4 7.4 -4.9 502 515 X K H X S+ 0 0 34 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.910 107.8 52.2 -59.8 -41.6 12.5 6.9 -8.5 503 516 X L H X S+ 0 0 52 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.939 112.8 44.0 -53.1 -53.5 16.1 6.2 -7.2 504 517 X F H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.913 113.8 51.6 -56.8 -49.8 14.7 3.6 -4.8 505 518 X I H X S+ 0 0 63 -4,-3.2 4,-0.9 2,-0.2 -2,-0.2 0.921 113.3 43.5 -50.2 -54.7 12.4 2.1 -7.5 506 519 X D H < S+ 0 0 122 -4,-2.8 4,-0.3 1,-0.2 3,-0.3 0.872 115.2 50.4 -65.8 -40.7 15.3 1.8 -10.0 507 520 X N H >< S+ 0 0 24 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.878 107.8 51.6 -62.2 -39.2 17.6 0.4 -7.4 508 521 X F H >X S+ 0 0 4 -4,-2.7 3,-2.9 1,-0.2 4,-0.6 0.734 84.5 89.4 -76.0 -15.8 15.2 -2.2 -6.1 509 522 X D G >< S+ 0 0 109 -4,-0.9 3,-1.6 -3,-0.3 -1,-0.2 0.808 77.9 63.1 -52.0 -36.1 14.6 -3.6 -9.6 510 523 X K G <4 S+ 0 0 97 -3,-0.7 3,-0.4 -4,-0.3 -1,-0.3 0.682 100.5 53.3 -64.7 -20.2 17.4 -6.1 -9.4 511 524 X Y G X4 S+ 0 0 29 -3,-2.9 3,-0.9 1,-0.2 -1,-0.3 0.620 87.1 82.7 -87.5 -9.3 15.7 -7.8 -6.5 512 525 X T T << + 0 0 45 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.1 0.355 62.5 93.3 -82.7 11.0 12.4 -8.3 -8.4 513 526 X D T 3 S+ 0 0 94 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.361 83.9 55.8 -85.7 0.3 13.7 -11.5 -10.2 514 527 X T S <> S- 0 0 72 -3,-0.9 4,-2.3 1,-0.0 5,-0.2 -0.926 92.3-108.6-120.6 153.4 12.2 -13.7 -7.5 515 528 X P T 4 S+ 0 0 112 0, 0.0 2,-2.8 0, 0.0 -2,-0.0 -0.303 114.2 40.7 -50.5 168.6 8.7 -14.0 -6.1 516 529 X A T > S+ 0 0 71 1,-0.2 4,-1.3 -4,-0.1 -4,-0.1 -0.404 115.5 55.1 81.8 -67.6 9.0 -12.5 -2.6 517 530 X G H > S+ 0 0 5 -2,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.867 106.9 48.2 -63.4 -44.4 11.2 -9.7 -4.1 518 531 X A H >< S+ 0 0 54 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.871 111.7 52.2 -60.3 -40.4 8.5 -8.9 -6.7 519 532 X A H >4 S+ 0 0 63 -5,-0.2 3,-0.8 1,-0.2 -2,-0.2 0.779 100.9 61.5 -65.9 -29.2 6.1 -8.8 -3.8 520 533 X L H >X S+ 0 0 10 -4,-1.3 3,-1.8 1,-0.2 4,-0.8 0.724 82.6 80.0 -71.6 -22.0 8.3 -6.4 -1.8 521 534 X V G X< S+ 0 0 46 -4,-0.8 3,-0.7 -3,-0.5 -1,-0.2 0.843 87.2 57.8 -53.6 -36.8 8.0 -3.7 -4.5 522 535 X A G <4 S+ 0 0 78 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.695 101.6 55.8 -66.0 -23.8 4.5 -2.8 -3.0 523 536 X A G <4 S+ 0 0 13 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.615 99.3 86.1 -78.9 -17.9 6.4 -2.2 0.3 524 537 X G S << S- 0 0 1 -4,-0.8 2,-0.1 -3,-0.7 -23,-0.1 -0.162 99.3 -73.2 -75.7 172.3 8.6 0.3 -1.6 525 538 X P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -60,-0.3 -0.455 52.7-151.1 -62.8 139.8 7.9 4.0 -2.4 526 539 X K 0 0 107 -62,-2.8 -62,-0.1 1,-0.2 -60,-0.1 -0.975 360.0 360.0-119.7 127.6 5.2 4.4 -5.0 527 540 X L 0 0 144 -2,-0.5 -1,-0.2 -26,-0.1 -63,-0.1 0.870 360.0 360.0 -74.7 360.0 4.9 7.1 -7.5