==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-JAN-05 1YLH . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOBACILLUS SUCCINOGENES; . AUTHOR Y.A.LEDUC,L.PRASAD,M.LAIVENIEKS,J.G.ZEIKUS,L.T.DELBAERE . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 13.2 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 . 3 0.6 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 . 1 0.2 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 . 37 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 1 1 0 0 1 2 1 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 1 2 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 . 5 2 3 4 2 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 4 A D > 0 0 138 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -20.6 -0.4 20.1 22.2 2 5 A L H > + 0 0 62 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.844 360.0 59.1 -67.3 -35.1 -1.2 18.9 18.7 3 6 A N H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 105.1 47.5 -60.3 -46.5 0.0 22.2 17.3 4 7 A K H > S+ 0 0 148 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 112.9 51.8 -61.5 -37.4 3.5 21.7 18.7 5 8 A L H X S+ 0 0 3 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.944 108.2 48.6 -64.9 -49.5 3.4 18.2 17.3 6 9 A V H X S+ 0 0 45 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.889 111.3 52.3 -58.6 -38.6 2.5 19.3 13.8 7 10 A K H X S+ 0 0 45 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.936 108.9 48.5 -62.2 -47.8 5.3 21.9 14.0 8 11 A E H X S+ 0 0 72 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.885 113.1 48.1 -61.4 -37.7 7.8 19.3 15.0 9 12 A L H >X>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-0.9 0.898 109.2 53.4 -68.5 -39.5 6.7 17.1 12.1 10 13 A N H ><5S+ 0 0 77 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.892 104.5 55.7 -61.1 -38.4 6.9 20.0 9.8 11 14 A D H 3<5S+ 0 0 137 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.699 103.7 54.9 -68.0 -18.3 10.5 20.6 10.9 12 15 A L H <<5S- 0 0 31 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.541 129.2 -97.3 -88.5 -11.2 11.2 17.0 9.9 13 16 A G T <<5S+ 0 0 32 -3,-1.3 -3,-0.2 -4,-0.5 2,-0.2 0.335 77.9 136.6 115.1 -8.7 9.9 17.7 6.4 14 17 A L < - 0 0 0 -5,-1.9 -1,-0.4 -8,-0.1 2,-0.3 -0.523 31.3-174.4 -73.6 139.2 6.3 16.5 6.5 15 18 A T + 0 0 76 91,-0.4 96,-2.1 -2,-0.2 -1,-0.0 -0.847 53.4 23.4-130.6 166.9 3.8 18.8 4.9 16 19 A D S S- 0 0 101 -2,-0.3 -1,-0.2 94,-0.2 2,-0.1 0.830 76.3-170.4 48.1 40.5 0.1 19.2 4.4 17 20 A V - 0 0 30 94,-0.2 -1,-0.2 -3,-0.2 96,-0.2 -0.402 3.4-166.1 -65.0 131.6 -0.5 17.0 7.5 18 21 A K - 0 0 111 94,-1.9 95,-0.1 1,-0.3 94,-0.1 0.184 51.1 -17.3 -93.4-143.4 -4.2 16.0 7.9 19 22 A E - 0 0 117 94,-0.1 95,-2.3 1,-0.0 2,-0.5 -0.295 62.4-149.5 -62.7 144.6 -5.8 14.5 11.0 20 23 A I E -a 114 0A 21 93,-0.2 2,-1.0 -3,-0.1 95,-0.2 -0.985 6.2-152.1-119.5 125.4 -3.4 13.0 13.6 21 24 A V E -a 115 0A 18 93,-3.1 95,-2.5 -2,-0.5 2,-0.6 -0.883 26.7-161.5 -96.1 102.1 -4.5 10.1 15.7 22 25 A Y E -a 116 0A 56 -2,-1.0 95,-0.2 1,-0.2 93,-0.1 -0.813 57.8 -25.7 -98.1 119.5 -2.2 10.9 18.7 23 26 A N S S- 0 0 37 93,-3.3 -1,-0.2 -2,-0.6 94,-0.1 0.924 83.7-159.2 45.0 57.3 -1.5 8.2 21.3 24 27 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.222 15.2-110.4 -64.3 155.8 -4.7 6.2 20.6 25 28 A S > - 0 0 36 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.277 31.5-105.7 -76.2 169.2 -6.1 3.8 23.1 26 29 A Y H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.866 122.9 54.4 -64.9 -34.1 -6.0 0.1 22.4 27 30 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 108.9 47.6 -66.4 -40.8 -9.8 0.3 21.7 28 31 A Q H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 111.6 50.3 -66.1 -42.9 -9.3 3.0 19.1 29 32 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.908 107.2 54.6 -62.3 -41.7 -6.4 1.1 17.4 30 33 A F H X S+ 0 0 49 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.937 111.3 44.4 -57.1 -48.6 -8.6 -2.0 17.2 31 34 A E H >X S+ 0 0 138 -4,-1.9 4,-0.6 1,-0.2 3,-0.6 0.903 111.9 52.9 -65.2 -39.8 -11.3 -0.2 15.4 32 35 A E H >< S+ 0 0 30 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.876 107.6 52.0 -62.0 -37.5 -8.8 1.6 13.1 33 36 A E H 3< S+ 0 0 0 -4,-2.4 11,-2.4 1,-0.2 -1,-0.2 0.714 117.9 36.5 -72.7 -19.4 -7.2 -1.7 12.1 34 37 A T H << S+ 0 0 42 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.262 81.6 130.9-118.8 11.1 -10.5 -3.2 11.1 35 38 A K X< - 0 0 81 -4,-0.6 3,-1.2 -3,-0.6 9,-0.1 -0.295 66.8 -99.3 -66.0 147.5 -12.4 -0.3 9.6 36 39 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.407 104.0 39.4 -67.3 144.7 -14.1 -1.0 6.2 37 40 A G T 3 S+ 0 0 80 1,-0.3 6,-0.1 -3,-0.1 -2,-0.1 0.216 72.5 141.1 105.5 -17.0 -12.1 0.3 3.3 38 41 A L < - 0 0 45 -3,-1.2 -1,-0.3 6,-0.1 2,-0.3 -0.360 33.3-160.8 -62.6 139.8 -8.6 -0.5 4.3 39 42 A E > - 0 0 69 -2,-0.0 3,-1.4 4,-0.0 4,-0.3 -0.797 41.6 -5.9-121.3 162.3 -6.4 -1.8 1.5 40 43 A G G > S- 0 0 63 -2,-0.3 3,-1.6 1,-0.2 -2,-0.0 -0.114 122.3 -19.8 58.8-149.8 -3.2 -3.7 1.1 41 44 A F G 3 S+ 0 0 86 1,-0.3 14,-0.3 13,-0.1 -1,-0.2 0.518 122.2 81.0 -73.3 -1.9 -1.2 -4.6 4.1 42 45 A D G < S+ 0 0 26 -3,-1.4 97,-0.3 12,-0.1 -1,-0.3 0.786 73.1 103.1 -69.8 -27.4 -2.9 -1.9 6.1 43 46 A K < - 0 0 108 -3,-1.6 12,-0.4 -4,-0.3 2,-0.3 -0.393 56.7-158.6 -70.7 127.0 -5.8 -4.3 6.7 44 47 A G - 0 0 3 -11,-2.4 2,-0.4 -2,-0.2 10,-0.2 -0.747 10.1-145.0 -97.6 148.4 -6.3 -6.1 9.9 45 48 A T B -I 53 0B 51 8,-2.4 8,-2.1 -2,-0.3 2,-0.2 -0.947 13.6-123.6-118.3 134.4 -8.4 -9.3 10.1 46 49 A L - 0 0 105 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.517 31.5-163.0 -73.4 138.6 -10.7 -10.3 13.0 47 50 A T > - 0 0 17 4,-0.5 3,-1.5 -2,-0.2 269,-0.2 -0.762 35.5-108.2-120.0 168.2 -9.9 -13.8 14.4 48 51 A T T 3 S+ 0 0 89 267,-2.1 268,-0.1 1,-0.3 267,-0.1 0.689 118.0 62.3 -66.6 -15.5 -11.7 -16.3 16.6 49 52 A L T 3 S- 0 0 45 266,-0.4 253,-0.3 2,-0.3 -1,-0.3 0.598 112.9-116.7 -86.3 -10.5 -9.2 -15.2 19.4 50 53 A G S < S+ 0 0 33 -3,-1.5 2,-0.4 1,-0.3 253,-0.2 0.547 79.9 119.6 85.3 7.7 -10.4 -11.6 19.5 51 54 A A - 0 0 0 251,-0.2 -4,-0.5 249,-0.1 -1,-0.3 -0.870 66.2-119.8-107.4 139.1 -6.9 -10.6 18.3 52 55 A V E - j 0 305B 1 252,-0.8 254,-2.6 -2,-0.4 2,-0.4 -0.539 25.1-154.4 -77.9 141.3 -6.3 -8.7 15.1 53 56 A A E +Ij 45 306B 5 -8,-2.1 -8,-2.4 -2,-0.2 2,-0.3 -0.941 14.1 177.7-118.6 139.7 -4.0 -10.3 12.5 54 57 A V E - j 0 307B 3 252,-2.7 254,-2.9 -2,-0.4 255,-0.4 -0.898 18.6-136.3-134.2 163.6 -2.0 -8.5 9.8 55 58 A D - 0 0 51 -12,-0.4 5,-0.0 -2,-0.3 252,-0.0 -0.852 0.7-155.1-119.0 157.1 0.5 -9.5 7.1 56 59 A T > - 0 0 0 -2,-0.3 3,-0.7 1,-0.3 146,-0.7 0.276 26.6-146.1-118.5 10.6 3.8 -7.8 6.2 57 60 A G T 3 + 0 0 26 1,-0.2 -1,-0.3 145,-0.1 144,-0.1 -0.331 68.7 4.4 69.9-141.2 4.4 -8.7 2.5 58 61 A I T 3 S+ 0 0 152 142,-0.1 2,-0.6 1,-0.1 -1,-0.2 0.841 122.6 60.7 -49.6 -48.5 7.9 -9.3 1.1 59 62 A F < + 0 0 34 -3,-0.7 143,-0.2 141,-0.2 -1,-0.1 -0.794 47.5 161.3 -93.5 117.5 9.8 -9.0 4.4 60 63 A T S S+ 0 0 34 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.021 73.2 22.7-119.1 22.5 8.9 -11.5 7.1 61 64 A G S S- 0 0 21 264,-0.0 142,-0.2 142,-0.0 145,-0.1 -0.941 103.6 -58.7-169.4 174.7 12.1 -10.9 9.0 62 65 A R - 0 0 97 -2,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.218 38.0-141.0 -65.2 159.1 14.7 -8.2 9.5 63 66 A S > + 0 0 15 1,-0.1 3,-1.7 140,-0.1 4,-0.1 -0.726 24.9 171.8-122.3 80.7 16.8 -7.0 6.5 64 67 A P G > S+ 0 0 45 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.833 76.0 64.0 -58.4 -32.4 20.3 -6.6 7.8 65 68 A K G 3 S+ 0 0 132 1,-0.3 117,-0.2 -3,-0.1 118,-0.1 0.699 103.2 49.7 -66.9 -17.2 21.6 -6.0 4.2 66 69 A D G < S+ 0 0 3 -3,-1.7 121,-2.3 116,-0.1 2,-0.4 0.256 86.7 113.8-101.4 10.5 19.5 -2.9 4.1 67 70 A K E < +b 187 0A 16 -3,-1.8 24,-0.7 119,-0.2 2,-0.3 -0.699 39.1 169.5 -88.7 132.6 20.7 -1.5 7.4 68 71 A Y E -bc 188 91A 14 119,-2.1 121,-2.2 -2,-0.4 2,-0.4 -0.985 23.3-158.0-140.7 149.6 22.7 1.8 7.4 69 72 A I E -bc 189 92A 0 22,-2.5 24,-1.6 -2,-0.3 121,-0.2 -0.994 35.7-109.0-126.1 132.2 24.0 4.3 10.0 70 73 A V E - c 0 93A 0 119,-2.9 2,-0.7 -2,-0.4 121,-0.3 -0.428 25.0-133.0 -67.4 131.9 24.9 7.8 8.8 71 74 A C + 0 0 59 22,-2.7 24,-0.3 -2,-0.2 2,-0.2 -0.771 51.5 129.7 -86.3 110.1 28.6 8.6 8.8 72 75 A D S > S- 0 0 11 -2,-0.7 4,-2.9 22,-0.1 22,-0.0 -0.823 73.3 -71.8-146.7-171.1 29.1 12.0 10.4 73 76 A E T 4 S+ 0 0 169 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.783 128.9 48.4 -62.6 -26.5 31.1 13.8 13.1 74 77 A T T 4 S+ 0 0 58 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.917 122.6 30.3 -78.4 -43.5 29.3 12.0 15.9 75 78 A T T >> S+ 0 0 0 -5,-0.2 4,-2.3 1,-0.1 3,-0.8 0.673 92.4 90.3 -91.3 -21.5 29.6 8.5 14.4 76 79 A K T 3< S+ 0 0 117 -4,-2.9 5,-0.2 1,-0.3 -1,-0.1 0.885 106.6 19.5 -42.3 -55.4 32.9 8.5 12.5 77 80 A D T 34 S+ 0 0 137 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.355 127.5 51.5-101.2 4.5 35.0 7.4 15.5 78 81 A T T <4 S+ 0 0 50 -3,-0.8 2,-0.2 -4,-0.1 -2,-0.2 0.738 86.1 81.8-112.7 -31.3 32.3 5.9 17.7 79 82 A V S < S- 0 0 8 -4,-2.3 2,-2.1 323,-0.1 323,-0.2 -0.542 80.3-120.8 -80.5 143.1 30.3 3.4 15.6 80 83 A W - 0 0 36 321,-2.9 10,-0.3 -2,-0.2 -1,-0.1 -0.546 42.9-156.6 -80.7 78.0 31.7 -0.1 15.0 81 84 A W - 0 0 50 -2,-2.1 10,-0.2 -5,-0.2 5,-0.1 -0.206 21.1-100.1 -60.8 146.1 31.7 0.2 11.2 82 85 A N + 0 0 52 8,-2.6 2,-0.3 6,-0.1 5,-0.2 -0.331 55.5 165.2 -58.1 144.4 31.6 -2.8 8.9 83 86 A S - 0 0 51 3,-0.9 3,-0.2 -3,-0.1 5,-0.1 -0.961 53.1-102.4-157.5 168.8 35.2 -3.6 7.7 84 87 A E S S+ 0 0 170 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.829 119.3 59.1 -68.8 -29.6 37.2 -6.3 6.0 85 88 A A S S+ 0 0 60 1,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.857 127.2 7.1 -66.2 -35.3 38.6 -7.3 9.4 86 90 A A S S- 0 0 4 -3,-0.2 -3,-0.9 -5,-0.1 -1,-0.3 -0.785 78.3-143.0-153.5 102.1 35.1 -8.0 10.8 87 91 A K + 0 0 153 -3,-0.3 2,-0.3 -2,-0.3 -3,-0.1 -0.436 34.9 150.2 -68.6 134.1 32.1 -7.9 8.6 88 92 A N - 0 0 21 -2,-0.2 -6,-0.1 2,-0.1 310,-0.1 -0.916 55.7-100.6-152.7 177.4 28.9 -6.5 10.2 89 93 A D S S+ 0 0 51 -2,-0.3 2,-2.0 308,-0.2 -8,-0.1 0.392 83.6 107.4 -88.6 3.3 25.7 -4.7 9.3 90 94 A N + 0 0 3 -10,-0.3 -8,-2.6 310,-0.1 -22,-0.1 -0.569 49.8 173.2 -82.9 82.2 26.8 -1.2 10.4 91 95 A K E -c 68 0A 37 -2,-2.0 -22,-2.5 -24,-0.7 2,-0.1 -0.759 31.1-118.0 -93.8 131.3 27.2 0.2 6.9 92 96 A P E -c 69 0A 73 0, 0.0 2,-0.4 0, 0.0 -22,-0.2 -0.440 24.7-162.8 -71.1 140.2 28.0 3.9 6.5 93 97 A M E -c 70 0A 4 -24,-1.6 -22,-2.7 96,-0.1 2,-0.1 -0.966 21.6-118.7-121.1 139.6 25.6 6.2 4.7 94 98 A T > - 0 0 77 -2,-0.4 4,-2.4 -24,-0.2 5,-0.2 -0.391 19.9-120.9 -74.9 155.9 26.6 9.6 3.4 95 99 A Q H > S+ 0 0 126 -24,-0.3 4,-2.4 1,-0.2 5,-0.1 0.854 113.9 57.2 -62.3 -32.9 24.8 12.7 4.8 96 100 A E H > S+ 0 0 151 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 108.7 43.0 -65.1 -45.3 23.7 13.5 1.2 97 101 A T H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 112.3 54.6 -69.1 -37.5 22.0 10.1 0.7 98 102 A W H X S+ 0 0 3 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.935 106.4 51.7 -59.3 -46.5 20.4 10.4 4.2 99 103 A K H X S+ 0 0 105 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.925 109.5 50.3 -57.1 -44.0 19.0 13.8 3.3 100 104 A S H X S+ 0 0 52 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.915 113.7 44.9 -61.3 -43.0 17.5 12.3 0.1 101 105 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.879 111.2 51.1 -71.0 -38.3 15.9 9.4 2.1 102 106 A R H X S+ 0 0 45 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.907 112.1 48.4 -65.2 -39.4 14.6 11.6 4.9 103 107 A E H X S+ 0 0 88 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.878 110.9 51.8 -66.7 -36.5 13.0 13.8 2.3 104 108 A L H X S+ 0 0 59 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.934 112.8 43.0 -66.4 -46.7 11.5 10.8 0.5 105 109 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.919 111.9 54.2 -66.2 -40.5 10.0 9.3 3.7 106 110 A A H < S+ 0 0 2 -4,-2.5 -91,-0.4 -5,-0.2 -1,-0.2 0.893 109.2 49.4 -60.0 -37.4 8.7 12.8 4.8 107 111 A K H >< S+ 0 0 151 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.910 107.4 54.0 -68.3 -40.3 7.0 13.1 1.3 108 112 A Q H 3< S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.866 112.1 45.4 -60.0 -34.4 5.5 9.6 1.8 109 113 A L T 3< S+ 0 0 0 -4,-2.0 3,-0.4 -5,-0.1 -1,-0.3 0.238 95.4 102.5 -96.8 15.6 4.0 10.8 5.1 110 114 A S S < S+ 0 0 16 -3,-1.6 -94,-0.2 1,-0.2 -93,-0.1 -0.661 75.4 20.3 -97.3 151.1 2.8 14.1 3.8 111 115 A G S S+ 0 0 31 -96,-2.1 2,-0.3 -2,-0.3 -1,-0.2 0.754 105.6 90.4 68.1 26.2 -0.8 15.0 2.9 112 116 A K S S- 0 0 56 -3,-0.4 -94,-1.9 -94,-0.1 2,-0.3 -0.908 83.4 -82.7-147.7 174.9 -2.4 12.3 4.9 113 117 A R - 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