==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-MAY-07 2PTX . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR M.V.A.S.NAVARRO,D.J.RIGDEN,R.C.GARRATT,S.M.G.DIAS . 431 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 0 0 0 4 1 1 1 1 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 . 2 2 0 1 1 1 0 1 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 . 1 2 0 0 0 0 0 0 0 1 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 -1 A S > 0 0 128 0, 0.0 3,-1.1 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 -21.3 32.0 14.3 12.2 2 0 A H T 3 + 0 0 130 1,-0.2 27,-0.4 26,-0.0 4,-0.0 0.687 360.0 60.8 -69.3 -17.3 34.5 13.8 14.9 3 1 A M T 3 S+ 0 0 95 25,-0.1 81,-0.3 26,-0.1 -1,-0.2 0.357 90.2 95.9 -91.6 4.7 32.0 11.5 16.5 4 2 A T S < S- 0 0 24 -3,-1.1 25,-0.4 1,-0.2 2,-0.4 -0.111 91.1 -62.7 -89.1-178.5 31.9 9.0 13.6 5 3 A I + 0 0 2 77,-2.0 76,-3.1 74,-0.3 23,-0.2 -0.561 48.2 179.9 -66.3 124.6 33.6 5.7 12.8 6 4 A Q + 0 0 101 21,-3.0 2,-0.3 -2,-0.4 22,-0.2 0.777 61.4 5.2 -97.6 -37.1 37.3 6.4 12.6 7 5 A K E -A 27 0A 116 20,-1.4 20,-2.8 72,-0.1 2,-0.4 -0.988 51.6-165.1-152.2 145.9 38.8 3.0 11.7 8 6 A V E +A 26 0A 14 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.991 19.1 173.5-134.4 126.5 37.5 -0.6 10.9 9 7 A H E -A 25 0A 59 16,-2.3 16,-2.8 -2,-0.4 2,-0.3 -0.989 13.5-162.2-142.1 131.5 39.9 -3.5 11.1 10 8 A G E +A 24 0A 2 -2,-0.4 2,-0.3 58,-0.3 14,-0.2 -0.782 11.0 177.8-108.5 154.6 39.5 -7.2 10.8 11 9 A R E -A 23 0A 79 12,-2.2 12,-2.2 -2,-0.3 2,-0.5 -0.990 32.5-111.5-152.1 151.8 41.9 -10.0 11.9 12 10 A E E +A 22 0A 42 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.740 43.8 168.1 -82.6 125.6 42.0 -13.8 11.9 13 11 A V E -A 21 0A 27 8,-2.3 8,-2.8 -2,-0.5 2,-0.3 -0.831 34.6 -96.9-129.2 171.4 41.8 -15.2 15.5 14 12 A L E -A 20 0A 84 -2,-0.3 2,-0.1 6,-0.2 8,-0.0 -0.723 27.3-146.8 -95.2 140.9 41.3 -18.7 17.0 15 13 A D > - 0 0 9 4,-2.8 3,-2.3 -2,-0.3 363,-0.2 -0.321 43.7 -83.3 -91.1-178.3 38.0 -20.1 18.2 16 14 A S T 3 S+ 0 0 31 361,-2.4 362,-0.1 1,-0.3 360,-0.1 0.515 129.9 52.0 -74.3 -5.4 37.6 -22.6 21.1 17 15 A R T 3 S- 0 0 62 2,-0.2 -1,-0.3 360,-0.2 359,-0.1 0.345 121.6-104.1-102.7 -0.3 38.4 -25.6 18.9 18 16 A G S < S+ 0 0 34 -3,-2.3 -2,-0.1 1,-0.3 358,-0.0 0.635 79.2 134.9 82.8 14.0 41.6 -24.0 17.5 19 17 A N - 0 0 45 1,-0.1 -4,-2.8 20,-0.1 -1,-0.3 -0.778 60.6-103.7 -95.0 144.3 39.9 -23.1 14.2 20 18 A P E +A 14 0A 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.269 46.1 165.5 -63.4 146.0 40.4 -19.7 12.6 21 19 A T E -A 13 0A 2 -8,-2.8 -8,-2.3 -6,-0.1 2,-0.4 -0.884 34.3 -92.3-145.9-176.5 37.6 -17.1 12.8 22 20 A V E -A 12 0A 0 -2,-0.3 15,-2.8 -10,-0.2 2,-0.4 -0.832 29.6-178.2-106.7 134.6 37.0 -13.4 12.2 23 21 A E E -AB 11 36A 15 -12,-2.2 -12,-2.2 -2,-0.4 2,-0.4 -0.987 10.0-160.0-126.3 145.0 37.2 -10.6 14.7 24 22 A V E -AB 10 35A 0 11,-2.9 11,-2.4 -2,-0.4 2,-0.5 -0.972 5.9-158.7-127.5 137.4 36.5 -6.9 14.0 25 23 A E E -AB 9 34A 24 -16,-2.8 -16,-2.3 -2,-0.4 2,-0.5 -0.971 3.0-166.6-113.6 125.9 37.5 -3.7 15.7 26 24 A V E -AB 8 33A 0 7,-2.7 7,-3.0 -2,-0.5 2,-0.5 -0.963 13.4-157.6-106.6 125.1 35.5 -0.5 15.2 27 25 A T E +AB 7 32A 30 -20,-2.8 -21,-3.0 -2,-0.5 -20,-1.4 -0.905 21.4 157.3-107.5 129.6 37.4 2.6 16.5 28 26 A T E > - B 0 31A 3 3,-2.4 3,-1.7 -2,-0.5 -23,-0.1 -0.814 61.7 -88.6-128.4-179.6 35.7 5.8 17.4 29 27 A E T 3 S+ 0 0 99 -25,-0.4 3,-0.1 -27,-0.4 -26,-0.1 0.711 126.5 62.9 -62.8 -16.5 36.8 8.6 19.7 30 28 A K T 3 S- 0 0 116 1,-0.3 2,-0.3 -27,-0.1 -1,-0.3 0.594 118.3 -91.7 -85.6 -13.5 35.0 6.6 22.5 31 29 A G E < -B 28 0A 26 -3,-1.7 -3,-2.4 2,-0.1 2,-0.5 -0.934 53.1 -41.1 142.2-161.2 37.4 3.7 22.1 32 30 A V E -B 27 0A 83 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.937 45.4-161.8-111.9 120.7 38.0 0.4 20.4 33 31 A F E -B 26 0A 29 -7,-3.0 -7,-2.7 -2,-0.5 2,-0.4 -0.923 10.1-168.2-113.9 116.1 35.0 -1.9 20.1 34 32 A R E +B 25 0A 141 -2,-0.6 2,-0.4 -9,-0.2 -9,-0.2 -0.883 11.4 172.9-116.3 129.7 35.8 -5.6 19.3 35 33 A S E -B 24 0A 0 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.3 -0.997 13.3-156.6-134.2 137.4 33.5 -8.3 18.3 36 34 A A E -B 23 0A 5 -2,-0.4 -13,-0.2 -13,-0.2 342,-0.1 -0.854 16.7-125.2-115.0 153.5 34.4 -11.9 17.2 37 35 A V - 0 0 1 -15,-2.8 -15,-0.2 -2,-0.3 2,-0.1 -0.790 20.3-143.5-101.3 131.2 32.3 -14.3 15.1 38 36 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 339,-0.2 -0.308 10.9-144.5 -86.0 178.9 31.4 -17.8 16.3 39 37 A S B -C 376 0B 4 337,-2.8 337,-1.8 -2,-0.1 2,-0.1 -0.966 5.4-137.4-152.0 129.9 31.2 -20.9 14.2 40 38 A G - 0 0 9 -2,-0.3 3,-0.2 335,-0.2 334,-0.1 -0.342 9.3-163.4 -83.9 160.6 29.0 -24.0 14.2 41 39 A A S S+ 0 0 25 1,-0.2 2,-1.4 -2,-0.1 -1,-0.1 0.730 94.6 45.2-102.8 -49.4 29.8 -27.7 13.8 42 40 A S S S+ 0 0 3 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.633 87.4 179.8 -93.5 77.3 26.3 -28.9 13.1 43 41 A T - 0 0 63 -2,-1.4 2,-0.1 -3,-0.2 278,-0.0 -0.668 26.0-122.1 -87.5 128.3 25.5 -26.1 10.7 44 42 A G > - 0 0 6 -2,-0.4 3,-1.7 1,-0.1 -1,-0.1 -0.359 18.1-122.5 -66.3 148.4 22.1 -26.0 9.0 45 43 A V T 3 S+ 0 0 101 1,-0.3 -1,-0.1 276,-0.1 -2,-0.0 0.729 111.6 54.0 -64.3 -22.1 22.0 -26.1 5.2 46 44 A Y T 3 S+ 0 0 91 275,-0.3 -1,-0.3 2,-0.0 283,-0.1 0.340 81.1 120.3 -97.3 6.4 20.1 -22.8 5.2 47 45 A E S < S- 0 0 26 -3,-1.7 302,-0.2 1,-0.1 3,-0.1 -0.353 74.2 -94.1 -67.4 149.0 22.6 -20.9 7.3 48 46 A A - 0 0 14 300,-2.4 2,-0.3 276,-0.2 55,-0.2 -0.230 60.3 -73.8 -56.8 153.9 24.2 -17.7 5.9 49 47 A C - 0 0 29 53,-3.1 59,-2.7 300,-0.1 2,-0.8 -0.318 36.8-160.4 -60.8 118.2 27.6 -18.2 4.2 50 48 A E - 0 0 65 -2,-0.3 2,-0.6 58,-0.2 -1,-0.1 -0.888 23.7-144.6 -93.5 110.8 30.5 -18.8 6.5 51 49 A L + 0 0 36 -2,-0.8 16,-0.3 55,-0.1 2,-0.3 -0.688 23.9 175.8 -89.6 118.2 33.4 -17.9 4.1 52 50 A R - 0 0 54 -2,-0.6 12,-0.2 14,-0.1 10,-0.1 -0.849 33.5-125.9-120.4 160.2 36.6 -19.9 4.4 53 51 A D - 0 0 49 10,-2.5 9,-0.2 -2,-0.3 3,-0.1 0.837 22.5-147.6 -75.3 -38.1 39.8 -19.8 2.3 54 52 A G + 0 0 47 7,-2.2 2,-0.8 1,-0.2 8,-0.1 0.684 43.5 147.7 73.2 19.8 40.2 -23.4 1.2 55 53 A D > - 0 0 75 3,-0.2 6,-2.3 1,-0.2 3,-2.1 -0.794 37.4-158.4 -87.6 109.7 44.0 -23.2 1.3 56 54 A K T 3> S+ 0 0 143 -2,-0.8 4,-0.6 4,-0.3 -1,-0.2 0.727 89.4 63.4 -63.0 -20.7 45.1 -26.7 2.3 57 55 A K T 34 S+ 0 0 195 1,-0.1 2,-0.5 3,-0.1 -1,-0.3 0.517 100.0 56.9 -79.3 -10.2 48.4 -25.2 3.4 58 56 A R T X4>S- 0 0 76 -3,-2.1 3,-1.5 1,-0.1 5,-0.8 -0.964 135.2 -29.5-124.7 117.9 46.8 -23.1 6.1 59 57 A Y G >45S- 0 0 103 -2,-0.5 3,-1.8 1,-0.3 -2,-0.1 0.838 111.1 -72.0 49.7 38.0 44.6 -24.8 8.8 60 58 A V G 3<5S- 0 0 108 -4,-0.6 -4,-0.3 1,-0.3 -1,-0.3 0.889 101.9 -42.0 37.9 52.8 43.9 -27.5 6.2 61 59 A G G < 5S+ 0 0 7 -6,-2.3 -7,-2.2 -3,-1.5 -1,-0.3 0.426 115.7 108.8 86.8 0.5 41.6 -25.0 4.3 62 60 A K T < 5 + 0 0 96 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.333 42.5 130.6 -95.1 8.5 39.9 -23.4 7.2 63 61 A G < - 0 0 1 -5,-0.8 -10,-2.5 -8,-0.3 -9,-0.2 -0.114 46.7-154.5 -55.5 155.4 41.6 -19.9 7.1 64 62 A C > + 0 0 0 -12,-0.2 4,-2.4 -43,-0.2 5,-0.2 0.034 56.4 119.4-122.2 26.5 39.5 -16.8 7.2 65 63 A L H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 75.8 52.0 -59.3 -40.4 41.9 -14.4 5.4 66 64 A Q H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.955 110.7 46.5 -62.6 -48.1 39.4 -13.7 2.6 67 65 A A H > S+ 0 0 0 -16,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.903 114.7 48.9 -59.1 -41.6 36.6 -12.8 5.0 68 66 A V H X S+ 0 0 15 -4,-2.4 4,-3.1 2,-0.2 -58,-0.3 0.911 110.1 50.6 -62.4 -43.6 39.2 -10.6 6.9 69 67 A K H X S+ 0 0 96 -4,-2.6 4,-3.3 1,-0.2 5,-0.5 0.899 107.7 54.2 -62.2 -41.0 40.3 -9.0 3.6 70 68 A N H X>S+ 0 0 15 -4,-2.7 5,-2.5 2,-0.2 4,-1.5 0.890 110.7 45.9 -60.4 -41.4 36.6 -8.3 2.8 71 69 A V H <>S+ 0 0 0 -4,-1.9 5,-3.2 3,-0.2 -2,-0.2 0.966 119.4 41.2 -60.4 -55.7 36.3 -6.5 6.2 72 70 A N H <5S+ 0 0 51 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.831 127.6 27.0 -65.1 -36.4 39.5 -4.5 5.6 73 71 A E H <5S+ 0 0 126 -4,-3.3 -1,-0.2 -5,-0.2 -3,-0.2 0.617 133.3 19.9-107.5 -18.2 39.2 -3.7 1.9 74 72 A V T X5S+ 0 0 54 -4,-1.5 4,-1.0 -5,-0.5 -3,-0.2 0.759 126.6 30.9-119.5 -60.1 35.5 -3.5 1.2 75 73 A I H >> - 0 0 68 -2,-0.2 3,-1.8 -79,-0.2 7,-0.2 -0.660 25.7-157.9 -76.2 105.6 27.2 7.5 12.1 84 82 A E T 3 S+ 0 0 4 -2,-0.9 38,-0.3 1,-0.3 -1,-0.2 0.667 84.4 72.7 -61.0 -19.5 27.5 4.3 14.1 85 83 A L T 3 S+ 0 0 68 1,-0.2 2,-1.9 37,-0.1 -1,-0.3 0.692 75.4 84.0 -67.3 -20.6 24.1 5.0 15.8 86 84 A K <> + 0 0 101 -3,-1.8 4,-2.6 1,-0.2 5,-0.3 -0.497 54.6 163.4 -86.1 70.1 22.2 4.1 12.5 87 85 A Q H > S+ 0 0 5 -2,-1.9 4,-2.6 1,-0.2 5,-0.2 0.922 73.0 42.6 -56.1 -53.4 22.2 0.3 13.1 88 86 A E H > S+ 0 0 133 -3,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 114.7 51.5 -61.5 -46.5 19.5 -0.5 10.5 89 87 A E H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 115.1 41.1 -54.5 -50.1 21.0 1.8 7.9 90 88 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.877 114.0 51.7 -72.1 -38.6 24.5 0.4 8.2 91 89 A D H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.946 112.4 47.4 -58.8 -47.6 23.3 -3.2 8.4 92 90 A T H X S+ 0 0 42 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.872 107.9 55.7 -61.5 -41.7 21.3 -2.6 5.2 93 91 A L H X S+ 0 0 50 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.927 109.0 47.2 -53.2 -47.5 24.3 -1.0 3.6 94 92 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.883 109.3 54.0 -66.9 -38.4 26.4 -4.1 4.2 95 93 A L H X S+ 0 0 33 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.915 112.8 43.5 -56.3 -43.2 23.5 -6.3 2.9 96 94 A R H < S+ 0 0 175 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.833 108.4 58.2 -75.5 -32.4 23.6 -4.3 -0.3 97 95 A L H < S+ 0 0 56 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.901 113.3 40.3 -59.1 -44.5 27.4 -4.3 -0.5 98 96 A D H < S- 0 0 5 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.948 88.9-167.7 -68.7 -52.2 27.2 -8.1 -0.5 99 97 A G < + 0 0 61 -4,-3.0 -3,-0.1 1,-0.2 -4,-0.1 0.515 46.7 102.4 80.7 5.9 24.2 -8.1 -2.9 100 98 A T S > S- 0 0 53 -5,-0.3 3,-1.0 1,-0.1 -1,-0.2 -0.892 74.9-124.2-122.8 153.4 23.3 -11.9 -2.4 101 99 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.809 111.0 39.5 -64.8 -29.5 20.6 -13.6 -0.4 102 100 A N T 3 S- 0 0 84 -54,-0.1 -53,-3.1 -55,-0.0 6,-0.3 0.230 109.8-112.0-105.8 11.1 23.0 -15.8 1.6 103 101 A K <> + 0 0 5 -3,-1.0 4,-1.3 -55,-0.2 5,-0.2 0.855 68.2 148.5 56.8 35.9 25.9 -13.3 2.2 104 102 A G T 4 + 0 0 30 3,-0.2 -1,-0.1 2,-0.2 -5,-0.0 0.586 58.2 53.5 -78.5 -13.7 27.9 -15.4 -0.2 105 103 A K T 4 S+ 0 0 132 -5,-0.1 -1,-0.1 2,-0.0 -7,-0.1 0.936 126.3 14.2 -85.3 -56.0 30.1 -12.6 -1.7 106 104 A L T 4 S- 0 0 2 -12,-0.1 -36,-0.2 -36,-0.0 -2,-0.2 0.741 110.8-112.9 -90.1 -26.9 31.5 -10.9 1.4 107 105 A G >X - 0 0 0 -4,-1.3 4,-2.3 3,-0.1 3,-0.9 0.297 7.1-115.4 97.7 131.5 30.7 -13.6 4.0 108 106 A A H 3> S+ 0 0 5 -59,-2.7 4,-2.9 -6,-0.3 5,-0.2 0.822 120.5 60.6 -59.3 -31.4 28.3 -13.6 6.9 109 107 A N H 34 S+ 0 0 5 -60,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.600 107.5 42.5 -77.2 -10.8 31.5 -13.9 8.9 110 108 A A H <> S+ 0 0 0 -3,-0.9 4,-1.0 2,-0.1 -2,-0.2 0.831 119.3 43.5 -88.2 -46.0 32.9 -10.6 7.5 111 109 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.923 108.2 56.9 -64.2 -48.4 29.5 -8.8 7.9 112 110 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.876 102.4 51.6 -60.0 -47.2 28.5 -10.0 11.3 113 111 A G H > S+ 0 0 0 -4,-0.3 4,-2.5 -5,-0.2 -1,-0.2 0.897 112.7 48.7 -56.7 -39.4 31.6 -8.8 13.3 114 112 A C H X S+ 0 0 0 -4,-1.0 4,-2.6 -3,-0.3 -2,-0.2 0.943 110.8 50.0 -61.6 -47.6 31.1 -5.3 11.7 115 113 A S H X S+ 0 0 0 -4,-2.4 4,-1.7 235,-0.3 -2,-0.2 0.910 114.6 44.5 -57.3 -47.7 27.4 -5.4 12.7 116 114 A M H X S+ 0 0 1 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.934 114.1 47.4 -60.9 -53.6 28.2 -6.4 16.3 117 115 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.842 108.6 55.3 -64.4 -37.3 31.1 -3.9 16.7 118 116 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.922 107.0 51.3 -55.9 -47.5 29.0 -1.0 15.3 119 117 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.863 110.4 48.5 -64.2 -35.4 26.3 -1.7 17.9 120 118 A K H X S+ 0 0 58 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.896 111.0 49.5 -69.0 -41.0 28.9 -1.6 20.7 121 119 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 111.9 50.5 -61.9 -41.9 30.4 1.7 19.4 122 120 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -38,-0.3 -2,-0.2 0.909 106.9 51.6 -61.3 -48.3 26.8 3.1 19.3 123 121 A A H X>S+ 0 0 3 -4,-2.2 5,-2.2 1,-0.2 4,-1.3 0.907 111.5 49.6 -55.3 -41.2 26.0 2.0 22.9 124 122 A A H <5S+ 0 0 24 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.903 109.0 51.1 -65.4 -42.9 29.2 3.8 23.9 125 123 A A H <5S+ 0 0 23 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.854 113.0 46.2 -59.5 -38.6 28.2 6.9 21.9 126 124 A K H <5S- 0 0 114 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.691 111.9-125.4 -75.7 -22.9 24.8 6.8 23.7 127 125 A G T <5S+ 0 0 60 -4,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.764 70.9 111.3 80.2 28.0 26.5 6.3 27.1 128 126 A V S > - 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