==== 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 08-MAY-07 2PTY . 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) . 17113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 72.2 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 . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.0 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 1 3 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 . 2 1 3 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 . 0 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 0 133 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.1 6.6 71.4 40.6 2 0 A H + 0 0 147 1,-0.2 27,-0.3 2,-0.0 2,-0.1 0.110 360.0 101.2 -89.7 15.3 3.4 69.5 39.6 3 1 A M + 0 0 83 25,-0.1 81,-0.3 26,-0.1 2,-0.2 -0.172 59.8 100.9 -95.7 39.3 5.9 67.0 38.2 4 2 A T S S- 0 0 40 79,-0.1 25,-0.5 -3,-0.1 2,-0.4 -0.599 86.0 -69.7-115.3 178.4 5.7 64.5 41.1 5 3 A I - 0 0 1 77,-2.1 76,-3.2 74,-0.4 23,-0.2 -0.583 45.5-179.8 -69.4 123.6 3.9 61.1 41.9 6 4 A Q + 0 0 104 21,-2.6 2,-0.3 -2,-0.4 22,-0.2 0.766 61.2 7.5 -95.7 -36.0 0.2 61.9 42.1 7 5 A K E -A 27 0A 116 20,-1.4 20,-2.7 72,-0.1 2,-0.4 -0.993 51.0-165.2-152.8 141.9 -1.3 58.4 42.9 8 6 A V E +A 26 0A 14 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.989 19.5 172.3-131.0 128.2 -0.1 54.9 43.7 9 7 A H E -A 25 0A 60 16,-2.1 16,-2.8 -2,-0.4 2,-0.3 -0.986 12.7-163.2-142.9 127.6 -2.6 52.0 43.5 10 8 A G E +A 24 0A 2 -2,-0.3 2,-0.3 58,-0.3 14,-0.2 -0.754 10.4 178.3-104.5 151.4 -2.2 48.2 43.7 11 9 A R E -A 23 0A 81 12,-2.3 12,-2.4 -2,-0.3 2,-0.5 -0.986 32.4-110.0-148.1 156.5 -4.5 45.4 42.6 12 10 A E E +A 22 0A 43 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.735 43.3 169.8 -81.0 121.2 -4.6 41.7 42.6 13 11 A V E -A 21 0A 27 8,-2.3 8,-2.6 -2,-0.5 2,-0.4 -0.830 33.0-100.6-124.4 171.3 -4.4 40.3 39.0 14 12 A L E -A 20 0A 83 -2,-0.3 2,-0.1 6,-0.2 8,-0.0 -0.753 26.5-145.4 -95.0 142.6 -3.9 36.8 37.6 15 13 A D > - 0 0 10 4,-2.9 3,-2.2 -2,-0.4 363,-0.2 -0.374 41.0 -85.3 -91.1 179.6 -0.7 35.4 36.3 16 14 A S T 3 S+ 0 0 30 361,-2.6 362,-0.1 1,-0.3 360,-0.1 0.553 130.4 51.1 -68.1 -13.6 -0.3 32.9 33.4 17 15 A R T 3 S- 0 0 64 360,-0.2 -1,-0.3 2,-0.2 359,-0.1 0.340 123.1-106.7 -95.4 0.7 -1.0 29.9 35.6 18 16 A G S < S+ 0 0 31 -3,-2.2 -2,-0.2 1,-0.3 358,-0.0 0.704 77.3 133.8 79.3 17.3 -4.1 31.6 36.9 19 17 A N - 0 0 38 1,-0.1 -4,-2.9 20,-0.1 -1,-0.3 -0.798 61.7 -99.0 -98.9 147.3 -2.7 32.4 40.3 20 18 A P E +A 14 0A 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.254 46.6 168.1 -60.5 146.0 -3.0 35.9 42.0 21 19 A T E -A 13 0A 2 -8,-2.6 -8,-2.3 -10,-0.0 2,-0.4 -0.877 34.1 -94.2-144.6 178.9 -0.2 38.4 41.7 22 20 A V E -A 12 0A 0 -2,-0.3 15,-3.0 -10,-0.2 2,-0.4 -0.802 30.1-176.2-103.3 135.6 0.4 42.1 42.4 23 21 A E E -AB 11 36A 15 -12,-2.4 -12,-2.3 -2,-0.4 2,-0.4 -0.993 8.7-161.1-125.7 144.3 0.1 44.9 39.9 24 22 A V E -AB 10 35A 0 11,-3.0 11,-2.0 -2,-0.4 2,-0.5 -0.966 6.4-160.1-126.7 137.7 0.9 48.6 40.6 25 23 A E E -AB 9 34A 20 -16,-2.8 -16,-2.1 -2,-0.4 2,-0.5 -0.981 2.0-165.4-114.2 127.1 -0.0 51.8 38.9 26 24 A V E -AB 8 33A 0 7,-2.5 7,-3.0 -2,-0.5 2,-0.5 -0.966 14.4-157.3-104.7 122.9 2.0 55.0 39.5 27 25 A T E +AB 7 32A 30 -20,-2.7 -21,-2.6 -2,-0.5 -20,-1.4 -0.895 21.4 159.1-103.3 130.0 -0.0 58.0 38.1 28 26 A T E > - B 0 31A 4 3,-2.7 3,-1.5 -2,-0.5 -23,-0.1 -0.833 60.5 -89.3-128.4-177.0 1.8 61.3 37.2 29 27 A E T 3 S+ 0 0 99 -25,-0.5 3,-0.1 -27,-0.3 -26,-0.1 0.778 126.8 59.7 -62.3 -22.1 0.8 64.2 35.0 30 28 A K T 3 S- 0 0 111 1,-0.2 2,-0.3 91,-0.1 -1,-0.3 0.571 119.7 -85.0 -85.9 -8.1 2.5 62.2 32.2 31 29 A G E < -B 28 0A 26 -3,-1.5 -3,-2.7 2,-0.1 2,-0.5 -0.955 53.6 -46.6 145.7-163.1 0.2 59.2 32.5 32 30 A V E -B 27 0A 85 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.970 47.1-160.8-114.1 117.1 -0.6 55.9 34.3 33 31 A F E -B 26 0A 30 -7,-3.0 -7,-2.5 -2,-0.5 2,-0.4 -0.904 9.9-166.5-111.1 117.2 2.4 53.6 34.6 34 32 A R E +B 25 0A 135 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.916 13.6 171.4-123.4 132.1 1.6 50.0 35.2 35 33 A S E -B 24 0A 0 -11,-2.0 -11,-3.0 -2,-0.4 2,-0.3 -0.995 13.4-158.0-142.6 127.0 3.9 47.1 36.3 36 34 A A E -B 23 0A 3 -2,-0.4 -13,-0.3 -13,-0.3 346,-0.1 -0.862 18.4-124.2-110.3 151.5 2.9 43.6 37.3 37 35 A V - 0 0 1 -15,-3.0 -15,-0.2 -2,-0.3 2,-0.1 -0.765 20.3-141.7 -98.6 131.4 5.0 41.2 39.5 38 36 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 339,-0.2 -0.322 11.6-145.0 -83.2 176.2 5.9 37.7 38.2 39 37 A S B -C 376 0B 5 337,-2.5 337,-1.9 -2,-0.1 2,-0.1 -0.973 3.6-140.9-147.4 131.0 6.0 34.5 40.4 40 38 A G - 0 0 11 -2,-0.3 3,-0.2 335,-0.2 334,-0.1 -0.397 10.5-166.4 -85.6 159.5 8.3 31.4 40.4 41 39 A A S S+ 0 0 22 1,-0.1 2,-1.3 -2,-0.1 -1,-0.1 0.679 93.4 48.0-103.4 -48.8 7.4 27.7 40.9 42 40 A S S S+ 0 0 4 124,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.686 87.2 176.5 -92.5 77.0 10.9 26.4 41.4 43 41 A T - 0 0 58 -2,-1.3 278,-0.1 -3,-0.2 2,-0.0 -0.736 29.0-124.1 -92.3 127.4 11.9 29.2 43.9 44 42 A G > - 0 0 5 -2,-0.4 3,-1.5 1,-0.1 278,-0.1 -0.369 19.8-123.7 -62.4 148.8 15.3 29.3 45.6 45 43 A V T 3 S+ 0 0 100 1,-0.3 -1,-0.1 276,-0.1 -2,-0.0 0.687 110.9 60.4 -67.3 -20.1 15.1 29.4 49.4 46 44 A Y T 3 S+ 0 0 96 275,-0.3 -1,-0.3 2,-0.0 283,-0.1 0.372 78.5 121.7 -92.5 5.3 17.2 32.6 49.3 47 45 A E S < S- 0 0 27 -3,-1.5 302,-0.1 1,-0.1 3,-0.1 -0.365 73.4-100.1 -67.4 143.5 14.6 34.5 47.3 48 46 A A - 0 0 14 300,-2.0 2,-0.2 276,-0.2 55,-0.2 -0.220 61.0 -72.8 -56.5 153.0 13.2 37.7 48.8 49 47 A C - 0 0 28 53,-3.4 59,-2.5 300,-0.1 60,-0.8 -0.325 38.0-160.0 -63.4 119.7 9.8 37.2 50.4 50 48 A E - 0 0 65 -2,-0.2 2,-0.6 58,-0.2 -1,-0.1 -0.884 24.9-141.9 -91.5 113.4 6.7 36.7 48.1 51 49 A L + 0 0 32 -2,-0.7 16,-0.3 52,-0.1 2,-0.3 -0.679 24.8 177.2 -93.3 118.0 3.9 37.5 50.4 52 50 A R - 0 0 58 -2,-0.6 12,-0.2 14,-0.1 10,-0.1 -0.798 32.2-129.4-114.5 159.4 0.7 35.4 50.2 53 51 A D - 0 0 50 10,-2.1 9,-0.2 -2,-0.3 3,-0.1 0.829 22.8-146.2 -81.1 -35.2 -2.5 35.7 52.2 54 52 A G + 0 0 56 7,-2.3 2,-0.8 1,-0.3 8,-0.1 0.717 44.3 147.8 70.0 21.4 -2.9 32.0 53.3 55 53 A D > - 0 0 74 3,-0.2 6,-2.5 1,-0.2 3,-2.0 -0.818 36.6-160.1 -88.1 109.6 -6.7 32.2 53.2 56 54 A K T 3> S+ 0 0 176 -2,-0.8 4,-0.5 4,-0.3 -1,-0.2 0.723 88.0 65.7 -68.5 -17.5 -7.7 28.8 52.2 57 55 A K T 34 S+ 0 0 194 1,-0.2 2,-0.5 3,-0.1 -1,-0.3 0.566 99.8 53.9 -76.9 -12.8 -11.1 30.3 51.1 58 56 A R T X4>S- 0 0 77 -3,-2.0 3,-0.8 1,-0.1 5,-0.7 -0.964 134.9 -27.4-124.7 119.2 -9.5 32.4 48.3 59 57 A Y G >45S- 0 0 101 -2,-0.5 3,-2.0 1,-0.2 -2,-0.1 0.859 111.2 -72.1 51.1 42.0 -7.3 30.7 45.7 60 58 A V G 3<5S- 0 0 114 -4,-0.5 -4,-0.3 1,-0.3 -1,-0.2 0.886 102.2 -41.3 30.4 62.5 -6.4 28.0 48.2 61 59 A G G < 5S+ 0 0 12 -6,-2.5 -7,-2.3 -3,-0.8 -1,-0.3 0.360 116.6 108.2 79.8 1.4 -4.2 30.4 50.2 62 60 A K T < 5 + 0 0 96 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.305 40.0 129.8 -97.3 9.3 -2.6 32.2 47.3 63 61 A G < - 0 0 1 -5,-0.7 -10,-2.1 -8,-0.3 -9,-0.2 -0.206 46.1-154.1 -61.4 155.0 -4.3 35.6 47.4 64 62 A C > + 0 0 0 -12,-0.2 4,-2.6 -43,-0.2 5,-0.2 0.002 57.9 118.7-120.4 25.7 -2.1 38.8 47.3 65 63 A L H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.837 75.2 52.1 -58.1 -40.4 -4.6 41.0 49.1 66 64 A Q H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.949 111.1 46.2 -65.3 -45.0 -2.1 41.7 51.9 67 65 A A H > S+ 0 0 0 -16,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.903 113.2 50.4 -61.2 -40.8 0.7 42.7 49.5 68 66 A V H X S+ 0 0 15 -4,-2.6 4,-2.8 2,-0.2 -58,-0.3 0.885 108.7 52.1 -61.7 -40.5 -1.8 44.9 47.6 69 67 A K H X S+ 0 0 97 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.875 106.6 54.2 -63.1 -41.4 -2.9 46.5 51.0 70 68 A N H X>S+ 0 0 14 -4,-2.1 5,-2.9 2,-0.2 4,-1.2 0.857 110.7 45.6 -63.4 -43.6 0.8 47.2 51.8 71 69 A V H <>S+ 0 0 0 -4,-1.8 5,-3.0 3,-0.2 -2,-0.2 0.933 119.3 42.3 -53.7 -53.9 1.1 49.0 48.4 72 70 A N H <5S+ 0 0 51 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.824 128.0 24.4 -72.6 -31.1 -2.2 50.9 49.0 73 71 A E H <5S+ 0 0 125 -4,-3.2 -3,-0.2 -5,-0.1 -1,-0.2 0.562 133.3 21.8-112.9 -15.3 -1.8 51.9 52.7 74 72 A V T X5S+ 0 0 51 -4,-1.2 4,-0.9 -5,-0.4 -3,-0.2 0.730 127.3 30.3-118.3 -56.5 1.9 51.9 53.4 75 73 A I H >> - 0 0 61 -2,-0.2 3,-2.1 -79,-0.2 7,-0.2 -0.658 23.7-157.8 -79.2 105.4 10.2 62.9 42.5 84 82 A E T 3 S+ 0 0 4 -2,-0.9 38,-0.3 -81,-0.3 -1,-0.2 0.685 86.0 73.2 -58.4 -24.5 10.0 59.6 40.5 85 83 A L T 3 S+ 0 0 74 1,-0.2 2,-2.1 37,-0.1 -1,-0.3 0.757 76.4 82.8 -58.5 -28.5 13.4 60.4 38.9 86 84 A K <> + 0 0 97 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 -0.488 55.6 162.3 -80.6 69.9 15.1 59.5 42.2 87 85 A Q H > S+ 0 0 4 -2,-2.1 4,-3.0 2,-0.2 5,-0.2 0.924 72.7 41.9 -54.7 -51.7 15.1 55.7 41.6 88 86 A E H > S+ 0 0 144 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 114.6 51.1 -67.8 -43.1 17.8 54.8 44.2 89 87 A E H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 115.2 42.9 -56.4 -45.7 16.4 57.2 46.8 90 88 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.935 113.3 50.0 -73.2 -46.8 12.9 55.8 46.4 91 89 A D H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.913 112.9 49.1 -48.8 -47.3 14.0 52.1 46.2 92 90 A T H X S+ 0 0 46 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.865 107.1 54.5 -64.9 -39.6 16.0 52.8 49.4 93 91 A L H X S+ 0 0 53 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.915 109.4 48.8 -51.7 -48.3 13.0 54.4 51.1 94 92 A M H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.865 108.8 52.1 -65.9 -38.4 11.0 51.3 50.4 95 93 A L H X S+ 0 0 37 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.931 113.4 44.6 -58.3 -48.8 13.8 49.0 51.8 96 94 A R H < S+ 0 0 177 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.822 108.2 57.1 -66.5 -35.4 13.8 51.1 55.0 97 95 A L H < S+ 0 0 58 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.821 113.8 41.1 -62.3 -39.1 10.0 51.1 55.1 98 96 A D H < S- 0 0 6 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.934 86.8-170.2 -67.6 -57.7 10.3 47.3 55.1 99 97 A G < + 0 0 62 -4,-3.8 -3,-0.1 1,-0.2 -4,-0.1 0.488 46.9 102.8 81.2 0.0 13.2 47.2 57.5 100 98 A T S > S- 0 0 52 -5,-0.3 3,-1.3 1,-0.1 -1,-0.2 -0.898 75.2-124.7-120.9 151.3 13.9 43.5 57.0 101 99 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.817 110.3 37.8 -61.5 -32.4 16.6 41.7 55.0 102 100 A N T 3 S- 0 0 82 -54,-0.1 -53,-3.4 -4,-0.1 6,-0.3 0.245 109.1-112.4-104.8 9.1 14.2 39.5 53.0 103 101 A K <> + 0 0 6 -3,-1.3 4,-1.4 -55,-0.2 5,-0.3 0.840 68.4 146.9 55.6 40.1 11.4 42.1 52.5 104 102 A G T 4 + 0 0 27 3,-0.2 -1,-0.1 2,-0.2 -5,-0.0 0.601 59.0 55.8 -83.9 -14.7 9.3 39.9 54.7 105 103 A K T 4 S+ 0 0 134 -5,-0.1 -1,-0.1 1,-0.0 -7,-0.1 0.960 127.0 12.3 -77.7 -58.0 7.3 42.8 56.3 106 104 A L T 4 S- 0 0 2 -12,-0.1 -36,-0.2 -36,-0.0 -2,-0.2 0.749 111.2-113.0 -90.2 -30.1 5.8 44.5 53.2 107 105 A G >X - 0 0 0 -4,-1.4 4,-2.4 3,-0.1 3,-0.6 0.379 7.4-114.8 95.4 126.4 6.6 41.8 50.6 108 106 A A H 3> S+ 0 0 4 -59,-2.5 4,-2.8 -6,-0.3 5,-0.3 0.830 120.2 59.4 -52.8 -34.6 9.1 41.8 47.7 109 107 A N H 3> S+ 0 0 5 -60,-0.8 4,-0.8 2,-0.2 -1,-0.2 0.843 107.3 43.8 -68.3 -26.6 5.9 41.5 45.6 110 108 A A H <> S+ 0 0 0 -3,-0.6 4,-0.9 2,-0.1 -2,-0.2 0.933 119.5 42.7 -79.6 -45.7 4.5 44.8 47.0 111 109 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-0.4 0.915 108.0 57.2 -66.0 -47.0 7.8 46.6 46.7 112 110 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 5,-0.2 0.882 103.1 51.5 -59.0 -46.4 8.9 45.4 43.2 113 111 A G H X S+ 0 0 0 -4,-0.8 4,-2.2 -5,-0.3 -1,-0.3 0.869 111.7 48.9 -63.5 -33.2 5.8 46.6 41.3 114 112 A C H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.4 -2,-0.2 0.948 111.5 49.8 -62.0 -51.7 6.3 50.1 42.9 115 113 A S H X S+ 0 0 0 -4,-2.7 4,-1.6 235,-0.3 -2,-0.2 0.903 114.2 44.5 -48.4 -55.8 10.0 50.1 42.0 116 114 A M H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.909 114.6 46.6 -54.3 -57.4 9.2 49.1 38.4 117 115 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.821 107.5 57.7 -63.5 -36.9 6.3 51.5 37.8 118 116 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.939 106.5 50.1 -54.9 -45.8 8.4 54.4 39.4 119 117 A S H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.853 109.5 50.7 -69.2 -32.1 11.0 53.8 36.7 120 118 A K H X S+ 0 0 61 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.936 111.1 48.0 -65.6 -44.3 8.4 53.9 33.9 121 119 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.874 113.3 49.3 -62.6 -41.3 7.0 57.2 35.2 122 120 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -38,-0.3 5,-0.3 0.936 106.7 53.0 -63.0 -52.7 10.5 58.5 35.4 123 121 A A H X>S+ 0 0 3 -4,-2.6 5,-2.4 1,-0.2 4,-0.9 0.926 111.0 49.9 -46.5 -48.4 11.4 57.4 31.8 124 122 A A H <5S+ 0 0 28 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.875 108.9 50.6 -58.0 -42.7 8.3 59.3 30.7 125 123 A A H <5S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 111.7 48.1 -63.9 -37.7 9.4 62.4 32.7 126 124 A K H <5S- 0 0 112 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.649 113.4-124.5 -72.8 -15.5 12.8 62.2 31.0 127 125 A G T <5S+ 0 0 66 -4,-0.9 -3,-0.2 -3,-0.4 -2,-0.1 0.813 71.8 111.5 71.6 33.0 11.0 61.8 27.6 128 126 A V S > - 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