==== 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 15-MAY-07 2PY7 . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.T.J.DELBAERE,J.J.H.COTELESAGE,H.GOLDIE . 535 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 14.0 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 22.1 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 2 0 0 1 2 0 0 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 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 PARALLEL BRIDGES PER LADDER . 4 1 4 3 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 6 X G 0 0 99 0, 0.0 2,-0.3 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0-167.1 54.8 -16.2 22.4 2 7 X L - 0 0 31 16,-0.1 18,-0.1 113,-0.0 16,-0.1 -0.991 360.0-127.3-150.5 148.6 56.0 -17.3 19.0 3 8 X T >> - 0 0 92 -2,-0.3 3,-1.1 1,-0.1 4,-0.6 -0.472 27.5-113.3 -93.2 160.5 59.3 -18.1 17.3 4 9 X P H 3> S+ 0 0 65 0, 0.0 4,-1.1 0, 0.0 11,-0.3 0.692 117.3 61.2 -67.9 -16.2 60.9 -16.7 14.1 5 10 X Q H 3> S+ 0 0 54 2,-0.2 4,-1.1 1,-0.2 7,-0.1 0.757 95.7 60.8 -75.8 -26.1 60.5 -20.2 12.5 6 11 X E H <4 S+ 0 0 32 -3,-1.1 4,-0.4 1,-0.2 -1,-0.2 0.731 105.5 47.5 -70.9 -24.0 56.7 -19.9 13.1 7 12 X L H ><>S+ 0 0 0 -4,-0.6 5,-1.8 2,-0.2 3,-0.7 0.771 101.3 64.8 -83.6 -31.6 56.8 -16.8 10.8 8 13 X E H ><5S+ 0 0 114 -4,-1.1 3,-1.7 1,-0.2 -2,-0.2 0.857 91.7 65.4 -53.3 -39.7 58.8 -18.7 8.2 9 14 X A T 3<5S+ 0 0 87 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 100.7 49.3 -50.7 -42.7 55.8 -20.9 7.8 10 15 X Y T < 5S- 0 0 40 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.572 128.8 -99.1 -73.4 -13.3 53.9 -17.9 6.4 11 16 X G T < 5S+ 0 0 42 -3,-1.7 2,-0.6 -4,-0.4 -3,-0.2 0.417 83.2 130.8 105.6 2.6 56.8 -17.2 4.0 12 17 X I < - 0 0 1 -5,-1.8 3,-0.3 96,-0.1 -1,-0.3 -0.788 40.7-162.2 -91.9 116.2 58.5 -14.4 6.1 13 18 X S + 0 0 63 -2,-0.6 97,-1.4 92,-0.4 -8,-0.1 -0.594 50.4 6.8-106.7 160.8 62.2 -15.1 6.5 14 19 X D + 0 0 110 -2,-0.2 2,-0.8 1,-0.2 -1,-0.2 0.806 65.1 174.0 46.4 49.1 65.0 -14.0 8.7 15 20 X V + 0 0 9 -3,-0.3 -1,-0.2 -11,-0.3 3,-0.1 -0.770 8.6 178.5 -87.1 113.4 63.0 -12.0 11.3 16 21 X H + 0 0 156 -2,-0.8 2,-0.5 1,-0.2 -1,-0.2 0.827 67.9 43.3 -82.4 -35.7 65.5 -10.9 14.0 17 22 X D + 0 0 44 94,-0.5 96,-2.8 -13,-0.0 2,-0.5 -0.956 62.1 178.8-123.8 114.2 63.1 -9.0 16.2 18 23 X I E -a 113 0A 43 -2,-0.5 2,-0.7 94,-0.2 96,-0.2 -0.959 11.1-165.3-112.0 125.5 59.5 -10.1 17.0 19 24 X V E -a 114 0A 26 94,-3.4 96,-2.2 -2,-0.5 2,-0.4 -0.879 17.9-165.9-109.5 93.8 57.3 -8.0 19.2 20 25 X Y E -a 115 0A 47 -2,-0.7 96,-0.2 1,-0.2 94,-0.1 -0.707 64.3 -12.1 -88.5 131.6 54.5 -10.4 20.1 21 26 X N S S- 0 0 52 94,-3.1 -1,-0.2 -2,-0.4 95,-0.1 0.934 85.0-147.2 48.5 59.6 51.3 -9.0 21.7 22 27 X P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.273 10.3-123.6 -60.6 141.0 52.8 -5.6 22.4 23 28 X S > - 0 0 60 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.300 22.0-110.0 -74.6 166.0 51.5 -3.9 25.5 24 29 X Y H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 278,-0.1 0.892 120.5 54.5 -63.6 -39.7 49.8 -0.4 25.4 25 30 X D H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.848 109.1 47.5 -59.6 -40.6 52.8 1.0 27.2 26 31 X L H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.900 109.7 52.1 -69.6 -42.7 55.2 -0.4 24.6 27 32 X L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 107.4 54.9 -59.6 -38.3 53.1 0.9 21.7 28 33 X Y H X S+ 0 0 49 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.936 111.8 41.0 -61.3 -50.7 53.2 4.3 23.3 29 34 X Q H X S+ 0 0 132 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.835 114.5 53.8 -69.1 -31.9 57.0 4.5 23.5 30 35 X E H >< S+ 0 0 33 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.926 110.1 46.3 -64.1 -47.0 57.3 2.9 20.0 31 36 X E H 3< S+ 0 0 3 -4,-2.5 11,-2.0 1,-0.2 -2,-0.2 0.829 115.6 46.1 -65.7 -34.0 55.0 5.6 18.4 32 37 X L H 3< S+ 0 0 47 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.428 75.9 132.6 -95.5 -0.4 56.8 8.4 20.2 33 38 X D X< - 0 0 61 -3,-0.7 3,-1.6 -4,-0.6 9,-0.2 -0.357 56.1-141.1 -48.2 116.0 60.4 7.2 19.4 34 39 X P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.506 93.7 64.4 -67.8 -4.6 62.0 10.4 18.1 35 40 X S T 3 S+ 0 0 89 2,-0.1 -2,-0.1 0, 0.0 6,-0.1 0.537 74.0 112.4 -99.0 -6.4 63.9 8.5 15.4 36 41 X L < - 0 0 29 -3,-1.6 2,-0.3 -6,-0.1 -5,-0.0 -0.316 51.8-156.8 -61.6 146.5 60.9 7.4 13.4 37 42 X T > - 0 0 102 4,-0.0 3,-1.3 -2,-0.0 4,-0.4 -0.784 44.9 -6.2-119.7 167.2 60.4 8.9 9.9 38 43 X G G > S- 0 0 37 -2,-0.3 3,-1.3 1,-0.2 15,-0.1 -0.076 123.0 -12.5 55.7-140.7 57.5 9.5 7.6 39 44 X Y G 3 S+ 0 0 93 1,-0.3 14,-0.3 13,-0.1 -1,-0.2 0.550 122.7 75.1 -78.3 -7.3 54.0 8.1 8.4 40 45 X E G < S+ 0 0 21 -3,-1.3 -1,-0.3 12,-0.1 98,-0.3 0.773 75.2 108.2 -67.0 -26.7 55.4 5.9 11.2 41 46 X R < - 0 0 146 -3,-1.3 12,-0.5 -4,-0.4 2,-0.3 -0.254 51.3-164.5 -66.0 132.1 55.7 9.0 13.4 42 47 X G E -I 52 0B 12 -11,-2.0 2,-0.4 -9,-0.2 10,-0.2 -0.836 2.9-157.6-105.2 151.5 53.4 9.6 16.3 43 48 X V E -I 51 0B 72 8,-2.2 8,-3.0 -2,-0.3 2,-0.5 -0.978 19.4-121.7-124.6 144.9 53.0 12.9 18.1 44 49 X L E -I 50 0B 80 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.751 26.6-154.8 -87.5 128.2 51.7 13.3 21.7 45 50 X T > - 0 0 5 4,-2.1 3,-2.2 -2,-0.5 270,-0.2 -0.587 30.4-108.0 -96.9 161.8 48.6 15.6 22.0 46 51 X N T 3 S+ 0 0 97 268,-2.2 269,-0.1 1,-0.3 -1,-0.1 0.688 117.6 66.3 -63.4 -18.7 47.6 17.6 25.1 47 52 X L T 3 S- 0 0 43 267,-0.4 -1,-0.3 2,-0.2 254,-0.3 0.533 117.0-113.0 -79.4 -6.3 44.7 15.1 25.6 48 53 X G S < S+ 0 0 25 -3,-2.2 2,-0.3 1,-0.3 254,-0.3 0.283 80.0 119.6 94.2 -11.1 47.3 12.4 26.3 49 54 X A - 0 0 0 250,-0.2 -4,-2.1 252,-0.2 -1,-0.3 -0.633 65.1-120.1 -88.7 146.7 46.5 10.4 23.1 50 55 X V E -Ij 44 304B 3 253,-1.0 255,-2.5 -2,-0.3 2,-0.4 -0.671 25.4-153.5 -84.2 137.6 49.1 9.8 20.3 51 56 X A E +Ij 43 305B 4 -8,-3.0 -8,-2.2 -2,-0.3 2,-0.3 -0.923 15.5 176.5-112.1 138.0 48.2 11.1 16.9 52 57 X V E -Ij 42 306B 4 253,-2.1 255,-2.4 -2,-0.4 2,-0.4 -0.904 27.7-126.9-130.9 161.1 49.5 9.7 13.6 53 58 X D - 0 0 52 -12,-0.5 3,-0.1 -14,-0.3 5,-0.1 -0.944 12.9-148.8-104.9 137.2 49.0 10.3 9.9 54 59 X T - 0 0 0 -2,-0.4 147,-0.5 1,-0.3 3,-0.5 0.413 40.9-124.2 -87.0 1.0 47.9 7.3 7.8 55 60 X G - 0 0 10 1,-0.2 -1,-0.3 146,-0.1 145,-0.1 -0.661 62.2 -20.3 99.6-150.6 49.6 8.5 4.7 56 61 X I S S+ 0 0 139 -2,-0.3 2,-0.7 -3,-0.1 -1,-0.2 0.850 125.7 70.3 -64.6 -35.8 48.2 9.1 1.2 57 62 X F + 0 0 41 -3,-0.5 144,-0.1 142,-0.2 -1,-0.1 -0.778 51.2 165.9 -89.3 113.9 45.3 6.8 2.0 58 63 X T S S+ 0 0 33 -2,-0.7 2,-0.3 2,-0.1 -1,-0.1 0.076 71.1 15.6-113.4 18.7 43.0 8.5 4.5 59 64 X G S S- 0 0 19 -5,-0.1 143,-0.2 265,-0.0 146,-0.1 -0.936 101.8 -55.1-168.9-178.3 40.2 6.0 3.9 60 65 X R - 0 0 94 -2,-0.3 -2,-0.1 144,-0.1 3,-0.1 -0.219 36.3-140.5 -68.8 161.8 39.5 2.6 2.3 61 66 X S > + 0 0 15 1,-0.1 3,-1.8 141,-0.1 125,-0.1 -0.748 24.6 172.0-124.9 78.4 40.4 1.8 -1.3 62 67 X P G > S+ 0 0 44 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.779 76.5 65.2 -59.6 -28.3 37.5 -0.3 -2.6 63 68 X K G 3 S+ 0 0 139 1,-0.2 118,-0.3 -3,-0.1 119,-0.1 0.624 102.1 49.7 -68.9 -13.3 39.0 -0.1 -6.1 64 69 X D G < S+ 0 0 3 -3,-1.8 122,-2.9 117,-0.1 2,-0.5 0.195 84.4 115.2-108.2 12.0 42.0 -2.1 -4.9 65 70 X K E < +b 186 0A 15 -3,-1.4 25,-1.0 120,-0.2 2,-0.3 -0.770 38.7 171.0 -90.6 123.3 39.9 -4.9 -3.2 66 71 X Y E -bc 187 90A 14 120,-2.2 122,-1.9 -2,-0.5 2,-0.4 -0.969 19.2-160.3-132.1 143.9 40.3 -8.4 -4.7 67 72 X I E -bc 188 91A 0 23,-2.7 25,-2.4 -2,-0.3 122,-0.2 -0.995 30.6-113.3-123.1 130.5 39.1 -11.8 -3.6 68 73 X V E - c 0 92A 1 120,-2.7 2,-0.7 -2,-0.4 122,-0.3 -0.428 25.4-143.2 -60.5 126.9 40.7 -15.0 -4.9 69 74 X R + 0 0 55 23,-2.6 2,-0.2 -2,-0.2 -1,-0.1 -0.878 44.7 131.7 -94.9 114.6 38.2 -17.0 -7.1 70 75 X D S > S- 0 0 19 -2,-0.7 4,-2.5 23,-0.1 5,-0.1 -0.735 74.5 -69.9-143.9-168.3 38.8 -20.7 -6.5 71 76 X D T 4 S+ 0 0 141 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.707 130.0 52.0 -68.3 -19.0 36.7 -23.8 -5.7 72 77 X T T 4 S+ 0 0 82 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.869 123.3 25.0 -82.0 -38.0 36.0 -22.5 -2.2 73 78 X T T >> S+ 0 0 0 -5,-0.1 4,-2.4 1,-0.1 3,-0.8 0.660 97.1 90.3 -98.9 -18.4 34.7 -19.0 -3.2 74 79 X R T 3< S+ 0 0 110 -4,-2.5 5,-0.2 1,-0.3 -3,-0.1 0.857 96.1 30.6 -52.3 -50.7 33.4 -19.5 -6.8 75 80 X D T 34 S+ 0 0 151 -4,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.510 125.5 40.1 -93.8 -8.3 29.8 -20.4 -6.2 76 81 X T T <4 S+ 0 0 53 -3,-0.8 336,-0.3 -4,-0.1 -2,-0.2 0.750 88.5 93.5-110.9 -33.0 29.1 -18.5 -3.0 77 82 X F S < S- 0 0 12 -4,-2.4 2,-1.3 1,-0.1 334,-0.2 -0.235 76.4-122.2 -67.5 150.2 30.8 -15.1 -3.3 78 83 X W - 0 0 13 332,-2.5 11,-0.3 331,-0.1 2,-0.1 -0.759 41.9-156.8 -90.8 87.4 29.0 -12.0 -4.5 79 84 X W > - 0 0 7 -2,-1.3 3,-1.1 -5,-0.2 5,-0.4 -0.413 21.4-133.5 -75.4 143.1 31.4 -11.4 -7.4 80 85 X A T 3 S+ 0 0 35 9,-2.7 3,-0.3 1,-0.2 7,-0.2 0.693 105.0 46.1 -62.2 -23.0 31.8 -8.0 -9.0 81 86 X D T 3 S+ 0 0 77 8,-0.4 -1,-0.2 1,-0.2 5,-0.1 0.267 86.1 88.0-109.5 11.1 31.6 -9.5 -12.5 82 87 X K S < S- 0 0 124 -3,-1.1 -1,-0.2 3,-0.2 -2,-0.1 0.309 96.3-111.9-101.0 13.5 28.7 -11.9 -12.2 83 88 X G S S+ 0 0 71 -3,-0.3 3,-0.1 2,-0.1 -3,-0.1 0.801 83.4 117.5 66.8 33.0 25.8 -9.5 -13.2 84 89 X K S S- 0 0 90 1,-0.5 2,-0.1 -5,-0.4 -1,-0.1 0.005 86.0 -61.7-119.8 28.4 24.3 -9.5 -9.7 85 90 X G S S- 0 0 28 -5,-0.1 -1,-0.5 327,-0.1 -3,-0.2 -0.077 71.0 -60.6 105.0 152.7 24.7 -5.8 -8.8 86 91 X K + 0 0 182 -3,-0.1 2,-0.3 -2,-0.1 -6,-0.1 -0.435 65.8 143.4 -69.3 136.4 27.7 -3.5 -8.4 87 92 X N - 0 0 11 -7,-0.2 320,-0.1 -2,-0.1 -2,-0.1 -0.943 55.9-115.0-160.0 175.4 30.2 -4.4 -5.7 88 93 X D S S+ 0 0 35 318,-0.3 2,-2.1 -2,-0.3 -23,-0.1 0.239 74.0 117.0-103.9 9.6 34.0 -4.4 -5.0 89 94 X N + 0 0 1 -11,-0.3 -9,-2.7 320,-0.1 -8,-0.4 -0.466 46.2 179.3 -79.5 71.4 34.4 -8.1 -4.8 90 95 X K E -c 66 0A 43 -2,-2.1 -23,-2.7 -25,-1.0 2,-0.2 -0.557 30.5-111.0 -81.3 134.1 36.7 -8.3 -7.9 91 96 X P E -c 67 0A 42 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.433 32.2-166.1 -70.8 135.6 38.0 -11.8 -8.8 92 97 X L E -c 68 0A 6 -25,-2.4 -23,-2.6 -2,-0.2 88,-0.0 -0.940 17.3-124.1-118.5 141.4 41.7 -12.5 -8.3 93 98 X S > - 0 0 36 -2,-0.4 4,-2.2 -25,-0.2 5,-0.1 -0.465 18.8-122.7 -77.2 153.7 43.6 -15.5 -9.7 94 99 X P H > S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.859 114.8 52.1 -58.8 -38.1 45.6 -17.9 -7.4 95 100 X E H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.907 109.9 46.1 -65.4 -45.7 48.7 -17.0 -9.5 96 101 X T H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 111.0 54.5 -66.4 -39.7 48.3 -13.3 -9.1 97 102 X W H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 105.2 52.9 -52.9 -50.4 47.6 -13.9 -5.3 98 103 X Q H X S+ 0 0 96 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.893 108.1 51.2 -56.4 -41.1 50.9 -15.8 -5.0 99 104 X H H X S+ 0 0 44 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.923 111.5 46.9 -60.6 -45.3 52.7 -12.8 -6.6 100 105 X L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.835 109.9 53.9 -65.4 -35.2 51.1 -10.4 -4.1 101 106 X K H X S+ 0 0 38 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.894 105.9 53.0 -66.6 -43.2 52.0 -12.7 -1.2 102 107 X G H X S+ 0 0 18 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.864 106.8 53.1 -57.1 -40.2 55.7 -12.7 -2.3 103 108 X L H X S+ 0 0 17 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.936 114.9 39.6 -61.7 -47.1 55.7 -8.9 -2.3 104 109 X V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.933 115.7 49.0 -73.4 -47.3 54.4 -8.7 1.3 105 110 X T H X S+ 0 0 14 -4,-2.9 4,-0.7 1,-0.2 -92,-0.4 0.835 113.8 47.8 -63.6 -34.6 56.3 -11.6 2.8 106 111 X R H < S+ 0 0 155 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 0.885 111.1 51.6 -68.5 -40.4 59.6 -10.2 1.2 107 112 X Q H < S+ 0 0 44 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.901 112.3 45.2 -62.2 -40.6 58.7 -6.7 2.6 108 113 X L H >< S+ 0 0 0 -4,-2.5 3,-1.2 -5,-0.1 -1,-0.2 0.629 92.7 103.2 -80.3 -13.1 58.2 -8.1 6.1 109 114 X S T 3< S+ 0 0 22 -4,-0.7 -95,-0.2 -3,-0.3 -94,-0.1 -0.463 87.9 12.4 -70.5 139.3 61.3 -10.2 6.0 110 115 X G T 3 S+ 0 0 47 -97,-1.4 -1,-0.2 1,-0.3 2,-0.2 0.527 105.8 116.1 72.9 6.0 64.4 -8.9 7.9 111 116 X K S < S- 0 0 68 -3,-1.2 2,-0.6 -95,-0.0 -94,-0.5 -0.622 79.3-101.0-103.6 160.9 62.2 -6.3 9.6 112 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448 453 X K H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 107.1 44.8 -61.5 -48.8 20.2 17.0 20.6 449 454 X D H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.906 114.2 49.9 -63.0 -43.3 17.0 16.6 18.6 450 455 X T H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.925 109.9 50.4 -62.9 -46.0 18.2 13.3 17.1 451 456 X R H X S+ 0 0 50 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.883 110.2 50.4 -57.0 -41.3 19.2 11.9 20.6 452 457 X A H X S+ 0 0 13 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.822 109.2 51.8 -68.3 -33.6 15.7 12.9 21.8 453 458 X I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.944 109.2 49.7 -63.2 -47.3 14.2 11.0 18.8 454 459 X I H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.918 108.2 53.7 -58.3 -45.4 16.3 7.9 19.7 455 460 X D H X S+ 0 0 48 -4,-2.5 4,-2.6 1,-0.2 6,-0.2 0.927 108.7 49.6 -51.4 -48.6 15.1 8.2 23.4 456 461 X A H X S+ 0 0 2 -4,-1.8 6,-2.0 1,-0.2 4,-0.7 0.840 110.7 48.9 -64.4 -37.8 11.4 8.2 22.1 457 462 X I H >< S+ 0 0 0 -4,-2.1 3,-0.5 4,-0.2 6,-0.2 0.948 115.7 44.1 -62.4 -48.2 12.0 5.1 19.9 458 463 X L H 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1,-0.2 5,-0.1 0.812 96.1 53.7 -74.3 -30.0 5.0 22.0 -2.5 500 505 X Q H <> S+ 0 0 82 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.882 111.5 46.5 -66.9 -40.0 8.6 23.0 -2.3 501 506 X W H X S+ 0 0 0 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.903 108.9 56.9 -61.3 -44.1 9.2 19.9 -0.2 502 507 X Q H X S+ 0 0 63 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.890 100.4 56.3 -57.6 -45.8 7.2 17.9 -2.8 503 508 X E H X S+ 0 0 117 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.937 114.4 40.0 -47.4 -51.8 9.5 19.0 -5.7 504 509 X K H X S+ 0 0 81 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.892 112.5 55.5 -68.7 -41.0 12.4 17.5 -3.7 505 510 X A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.869 107.6 49.8 -58.3 -41.9 10.4 14.4 -2.6 506 511 X E H X S+ 0 0 77 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.913 111.0 49.2 -63.4 -46.1 9.6 13.6 -6.2 507 512 X T H X S+ 0 0 71 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.944 114.6 44.6 -55.2 -51.8 13.2 13.9 -7.2 508 513 X L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.883 109.9 55.2 -64.7 -41.5 14.3 11.6 -4.3 509 514 X A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.891 105.2 52.9 -57.8 -43.7 11.5 9.1 -4.9 510 515 X K H X S+ 0 0 108 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.852 107.6 52.1 -62.4 -35.6 12.6 8.6 -8.5 511 516 X L H X S+ 0 0 53 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.937 111.3 46.2 -66.0 -46.5 16.2 7.9 -7.3 512 517 X F H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.899 115.4 47.2 -57.1 -44.4 14.8 5.3 -4.9 513 518 X I H X S+ 0 0 61 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.923 113.1 46.7 -67.3 -47.1 12.6 3.8 -7.7 514 519 X D H < S+ 0 0 123 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.897 116.3 46.7 -60.5 -42.8 15.4 3.7 -10.3 515 520 X N H >< S+ 0 0 25 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.877 109.8 51.7 -67.6 -40.4 17.8 2.2 -7.8 516 521 X F H >< S+ 0 0 2 -4,-2.5 3,-3.0 1,-0.2 4,-0.3 0.774 86.2 85.8 -70.5 -24.2 15.4 -0.5 -6.5 517 522 X D G >< S+ 0 0 106 -4,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.731 78.7 65.3 -50.2 -30.7 14.6 -1.8 -10.0 518 523 X K G < S+ 0 0 99 -3,-0.9 3,-0.4 -4,-0.3 -1,-0.3 0.678 98.4 54.5 -67.4 -19.1 17.6 -4.1 -9.9 519 524 X Y G X S+ 0 0 20 -3,-3.0 3,-0.7 1,-0.2 -1,-0.3 0.488 87.9 80.8 -89.9 -4.0 16.0 -6.0 -7.1 520 525 X T T < + 0 0 41 -3,-1.3 -1,-0.2 -4,-0.3 6,-0.2 0.341 59.4 95.4 -89.7 7.0 12.7 -6.7 -9.1 521 526 X D T 3 S+ 0 0 102 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 0.490 85.1 57.6 -75.0 -3.2 14.1 -9.6 -11.1 522 527 X T S <> S- 0 0 58 -3,-0.7 4,-2.9 1,-0.1 5,-0.2 -0.890 91.3-117.7-123.6 155.2 12.6 -11.9 -8.4 523 528 X P H > S+ 0 0 119 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.843 115.6 49.3 -57.2 -38.9 8.9 -12.2 -7.2 524 529 X A H > S+ 0 0 66 2,-0.2 4,-0.9 1,-0.2 -4,-0.1 0.896 113.5 46.1 -71.2 -40.9 9.8 -11.1 -3.7 525 530 X G H >> S+ 0 0 5 -6,-0.2 3,-1.2 2,-0.2 4,-0.8 0.959 111.4 51.5 -60.2 -53.2 11.7 -8.1 -5.0 526 531 X A H >< S+ 0 0 51 -4,-2.9 3,-0.6 1,-0.3 4,-0.3 0.836 107.4 54.5 -53.5 -36.8 9.0 -7.1 -7.4 527 532 X A H >< S+ 0 0 64 -4,-1.6 3,-0.6 1,-0.2 -1,-0.3 0.739 99.2 62.3 -70.3 -24.9 6.5 -7.3 -4.5 528 533 X L H XX S+ 0 0 9 -3,-1.2 3,-1.9 -4,-0.9 4,-0.7 0.710 80.4 81.5 -74.9 -21.8 8.5 -4.8 -2.4 529 534 X V G X< S+ 0 0 53 -4,-0.8 3,-1.0 -3,-0.6 -1,-0.2 0.845 85.8 60.9 -49.2 -38.0 8.1 -2.0 -5.0 530 535 X A G <4 S+ 0 0 75 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.746 101.0 53.2 -62.8 -26.9 4.7 -1.3 -3.4 531 536 X A G <4 S+ 0 0 12 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.600 99.4 82.7 -84.4 -14.1 6.4 -0.6 -0.1 532 537 X G S << S- 0 0 1 -3,-1.0 -23,-0.1 -4,-0.7 -159,-0.0 -0.184 99.0 -62.4 -79.8 178.9 8.7 2.0 -1.7 533 538 X P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -60,-0.3 -0.320 51.6-151.2 -61.6 145.1 8.0 5.7 -2.6 534 539 X K 0 0 107 -62,-3.1 -62,-0.1 -3,-0.1 -60,-0.1 -0.984 360.0 360.0-128.0 122.3 5.1 6.3 -5.0 535 540 X L 0 0 122 -2,-0.4 -63,-0.1 -26,-0.1 -29,-0.0 -0.311 360.0 360.0 -63.6 360.0 4.8 9.2 -7.5