==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-APR-03 1P48 . COMPND 2 MOLECULE: ENOLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.A.SIMS,T.M.LARSEN,R.R.POYNER,W.W.CLELAND,G.H.REED . 872 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29473.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 2 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 . 56 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.5 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 0 0 0 8 4 0 0 2 2 4 0 0 2 1 1 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 4 4 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 . 7 2 0 2 2 2 0 2 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 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 A 0 0 72 0, 0.0 2,-0.7 0, 0.0 25,-0.4 0.000 360.0 360.0 360.0 145.1 5.6 10.8 -2.3 2 2 A V + 0 0 11 79,-0.4 23,-0.3 1,-0.2 78,-0.2 -0.696 360.0 173.0 -83.7 113.8 4.5 14.2 -1.0 3 3 A S + 0 0 80 21,-2.4 2,-0.3 -2,-0.7 22,-0.2 0.646 64.6 16.8 -94.1 -16.7 0.9 14.0 0.3 4 4 A K E -A 24 0A 114 20,-1.3 20,-2.7 2,-0.0 2,-0.4 -0.990 47.7-167.0-160.2 147.0 0.8 17.5 1.8 5 5 A V E +A 23 0A 9 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.994 24.3 171.5-133.5 122.8 2.4 21.0 1.7 6 6 A Y E -A 22 0A 65 16,-2.6 16,-3.2 -2,-0.4 2,-0.4 -0.996 13.7-166.9-139.2 142.2 1.4 23.4 4.5 7 7 A A E +A 21 0A 1 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.965 8.6 175.1-130.3 145.6 2.5 26.9 5.6 8 8 A R E -A 20 0A 18 12,-2.4 12,-2.1 -2,-0.4 2,-0.5 -0.917 35.2 -99.9-140.4 166.0 1.9 28.9 8.8 9 9 A S E +A 19 0A 29 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.780 43.6 168.4 -91.3 129.6 3.0 32.2 10.4 10 10 A V E -A 18 0A 0 8,-2.5 8,-2.4 -2,-0.5 2,-0.4 -0.806 33.4-105.5-129.0 172.1 5.6 31.9 13.2 11 11 A Y E -A 17 0A 6 -2,-0.3 836,-0.1 6,-0.2 2,-0.1 -0.858 25.7-145.7-107.1 140.6 7.7 34.5 14.9 12 12 A D > - 0 0 1 4,-2.8 3,-2.2 -2,-0.4 366,-0.2 -0.260 43.5 -79.1 -90.3-177.7 11.4 35.1 14.3 13 13 A S T 3 S+ 0 0 0 364,-3.3 826,-2.3 1,-0.3 365,-0.1 0.600 130.3 50.5 -59.3 -15.2 14.1 36.3 16.9 14 14 A R T 3 S- 0 0 35 363,-0.2 -1,-0.3 2,-0.2 824,-0.1 0.394 120.1-104.8-102.9 0.3 12.9 39.9 16.6 15 15 A G S < S+ 0 0 0 -3,-2.2 -2,-0.1 1,-0.3 613,-0.1 0.648 79.4 130.5 85.6 14.8 9.3 39.1 17.2 16 16 A N - 0 0 11 1,-0.1 -4,-2.8 44,-0.0 -1,-0.3 -0.822 62.4-104.3-103.1 142.8 8.3 39.6 13.6 17 17 A P E +A 11 0A 1 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.181 43.6 170.0 -60.7 152.1 6.2 37.0 11.6 18 18 A T E -A 10 0A 2 -8,-2.4 -8,-2.5 -10,-0.0 2,-0.3 -0.960 35.3 -84.1-156.4 168.8 7.9 34.8 9.1 19 19 A V E -A 9 0A 0 -2,-0.3 15,-2.8 -10,-0.2 2,-0.4 -0.640 32.3-175.2 -89.5 135.2 7.0 31.7 7.1 20 20 A E E -AB 8 33A 0 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.4 -0.988 9.5-164.2-124.5 133.3 7.2 28.1 8.3 21 21 A V E -AB 7 32A 0 11,-2.8 11,-2.3 -2,-0.4 2,-0.4 -0.949 7.8-163.8-124.2 140.6 6.5 25.2 5.9 22 22 A E E -AB 6 31A 27 -16,-3.2 -16,-2.6 -2,-0.4 2,-0.5 -0.987 4.4-164.8-123.4 134.1 5.7 21.5 6.6 23 23 A L E -AB 5 30A 0 7,-2.4 7,-2.6 -2,-0.4 2,-0.4 -0.978 9.8-152.2-120.2 127.4 6.0 18.9 3.9 24 24 A T E +AB 4 29A 31 -20,-2.7 -21,-2.4 -2,-0.5 -20,-1.3 -0.885 24.8 151.8-108.8 131.1 4.4 15.5 4.5 25 25 A T E > - B 0 28A 13 3,-2.3 3,-1.2 -2,-0.4 -23,-0.2 -0.684 64.1 -81.3-135.2-171.7 5.5 12.2 3.0 26 26 A E T 3 S+ 0 0 110 -25,-0.4 3,-0.1 1,-0.2 -24,-0.1 0.715 127.5 60.6 -70.9 -17.8 5.4 8.5 4.0 27 27 A K T 3 S- 0 0 116 1,-0.3 2,-0.3 93,-0.1 -1,-0.2 0.524 117.1-100.7 -86.5 -7.0 8.4 9.2 6.1 28 28 A G E < -B 25 0A 29 -3,-1.2 -3,-2.3 2,-0.1 2,-0.5 -0.887 55.5 -31.5 128.1-158.4 6.7 11.8 8.3 29 29 A V E -B 24 0A 83 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.916 47.5-164.4-110.4 127.8 6.4 15.6 8.6 30 30 A F E -B 23 0A 30 -7,-2.6 -7,-2.4 -2,-0.5 2,-0.4 -0.950 7.2-163.3-118.4 121.1 9.4 17.8 7.7 31 31 A R E +B 22 0A 85 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.839 11.5 175.1-110.4 137.0 9.5 21.5 8.8 32 32 A S E -B 21 0A 0 -11,-2.3 -11,-2.8 -2,-0.4 2,-0.4 -0.994 13.9-152.8-137.2 142.2 11.6 24.4 7.6 33 33 A I E -B 20 0A 5 -2,-0.3 -13,-0.2 -13,-0.2 349,-0.1 -0.918 13.9-129.4-119.1 145.8 11.4 28.0 8.7 34 34 A V - 0 0 1 -15,-2.8 -15,-0.1 -2,-0.4 2,-0.1 -0.782 19.8-145.4 -96.9 131.6 12.5 31.1 6.6 35 35 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 342,-0.2 -0.292 8.4-143.4 -84.5 175.6 14.8 33.8 8.1 36 36 A S B -C 376 0B 5 340,-2.6 340,-1.4 -2,-0.1 2,-0.1 -0.976 5.1-147.8-147.8 128.4 14.7 37.5 7.5 37 37 A G - 0 0 9 -2,-0.3 3,-0.1 338,-0.2 337,-0.1 -0.295 7.2-160.1 -87.4 175.1 17.4 40.1 7.2 38 38 A A S S+ 0 0 34 -2,-0.1 2,-1.7 1,-0.1 -1,-0.1 0.641 91.7 47.8-118.5 -54.2 17.4 43.8 8.2 39 39 A S S S+ 0 0 10 120,-0.0 2,-0.2 0, 0.0 211,-0.1 -0.416 86.6 176.3 -87.0 61.5 20.3 45.2 6.1 40 40 A T - 0 0 65 -2,-1.7 281,-0.0 -3,-0.1 308,-0.0 -0.494 30.8-116.3 -73.4 131.7 18.9 43.5 3.0 41 41 A G > - 0 0 6 -2,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.256 20.1-121.3 -62.9 153.0 20.7 44.1 -0.3 42 42 A V T 3 S+ 0 0 101 1,-0.2 -1,-0.1 279,-0.1 -2,-0.1 0.756 111.7 54.5 -68.5 -21.9 18.7 45.8 -3.0 43 43 A H T 3 S+ 0 0 73 278,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.370 80.5 122.2 -93.7 4.5 19.2 42.8 -5.3 44 44 A E S < S- 0 0 23 -3,-1.3 305,-0.2 1,-0.1 304,-0.1 -0.309 75.9 -93.0 -66.9 150.4 17.9 40.2 -2.9 45 45 A A - 0 0 14 303,-2.8 2,-0.3 279,-0.2 57,-0.2 -0.296 62.8 -80.3 -58.0 150.5 15.0 38.0 -4.0 46 46 A L - 0 0 69 55,-2.7 61,-3.1 303,-0.1 2,-0.8 -0.371 34.6-155.0 -67.1 122.4 11.7 39.5 -2.8 47 47 A E - 0 0 53 -2,-0.3 2,-0.5 60,-0.2 59,-0.1 -0.853 24.3-137.4 -91.9 110.5 10.6 39.0 0.8 48 48 A M + 0 0 29 -2,-0.8 2,-0.3 57,-0.1 16,-0.3 -0.595 26.8 177.9 -79.2 120.9 6.8 39.4 0.6 49 49 A R - 0 0 64 -2,-0.5 12,-0.2 1,-0.1 10,-0.1 -0.906 31.6-133.1-118.7 148.9 5.2 41.5 3.4 50 50 A D - 0 0 34 10,-2.5 9,-0.2 -2,-0.3 3,-0.1 0.848 23.1-150.0 -70.4 -35.7 1.5 42.3 3.8 51 51 A G + 0 0 49 7,-1.6 2,-1.0 9,-0.3 8,-0.1 0.664 39.4 152.3 73.3 14.6 2.0 46.0 4.5 52 52 A D > - 0 0 69 1,-0.2 3,-2.1 3,-0.1 6,-0.8 -0.707 32.5-160.9 -81.3 104.3 -1.1 46.1 6.7 53 53 A K T 3 S+ 0 0 181 -2,-1.0 4,-0.3 1,-0.3 -1,-0.2 0.752 86.8 60.6 -58.0 -26.6 -0.3 48.9 9.2 54 54 A S T 3 S+ 0 0 81 3,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.463 104.9 56.2 -82.2 -0.2 -3.0 47.7 11.6 55 55 A K S X >S- 0 0 74 -3,-2.1 3,-2.7 1,-0.1 5,-0.5 -0.987 119.7 -17.9-140.0 130.7 -1.3 44.3 12.0 56 56 A W G > 5S- 0 0 30 -2,-0.4 3,-2.5 1,-0.3 -5,-0.1 0.818 115.4 -66.5 49.7 38.8 2.2 43.3 13.0 57 57 A M G 3 5S- 0 0 64 1,-0.3 -1,-0.3 -4,-0.3 -4,-0.2 0.761 96.3 -59.9 57.2 21.3 3.6 46.8 12.4 58 58 A G G < 5S+ 0 0 8 -3,-2.7 -7,-1.6 -6,-0.8 -1,-0.3 0.567 118.7 111.2 84.0 10.5 2.8 46.0 8.7 59 59 A K T < 5 + 0 0 90 -3,-2.5 -3,-0.1 -4,-0.3 -2,-0.1 0.015 37.6 137.9-107.3 28.7 5.1 43.0 8.7 60 60 A G < - 0 0 1 -5,-0.5 -10,-2.5 -8,-0.2 -9,-0.3 -0.296 43.2-153.9 -70.0 157.9 2.6 40.2 8.4 61 61 A V > + 0 0 0 -12,-0.2 4,-2.5 -43,-0.1 5,-0.2 -0.038 55.5 121.7-121.9 29.5 3.4 37.3 6.0 62 62 A L H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 74.5 52.3 -59.6 -42.4 -0.2 36.2 5.4 63 63 A H H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 111.1 47.2 -61.4 -43.8 0.1 36.8 1.6 64 64 A A H > S+ 0 0 0 -16,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.934 112.6 48.0 -63.2 -46.8 3.2 34.6 1.5 65 65 A V H X S+ 0 0 15 -4,-2.5 4,-2.3 1,-0.2 3,-0.2 0.895 111.9 51.6 -61.0 -39.3 1.6 31.8 3.6 66 66 A K H X>S+ 0 0 126 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.874 103.3 57.8 -65.4 -37.3 -1.5 32.0 1.3 67 67 A N H X>S+ 0 0 31 -4,-2.1 5,-2.4 1,-0.2 4,-1.0 0.855 109.9 45.7 -61.7 -32.8 0.7 31.7 -1.8 68 68 A V H <>S+ 0 0 0 -4,-1.4 5,-3.4 -3,-0.2 -2,-0.2 0.930 118.5 39.2 -74.9 -48.3 2.0 28.4 -0.4 69 69 A N H <5S+ 0 0 46 -4,-2.3 -2,-0.2 3,-0.2 -3,-0.2 0.845 127.2 31.7 -72.8 -34.8 -1.4 26.9 0.7 70 70 A D H <5S+ 0 0 103 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.705 134.6 17.4 -97.1 -23.1 -3.5 28.1 -2.3 71 71 A V T X S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.933 119.7 44.2 -60.5 -46.0 -2.0 22.1 -4.8 75 75 A A H X S+ 0 0 19 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.888 114.3 50.3 -65.9 -39.9 0.3 22.2 -7.9 76 76 A F H X>S+ 0 0 1 -4,-3.3 4,-0.9 -5,-0.2 5,-0.6 0.946 111.9 45.5 -64.7 -50.4 3.2 20.7 -6.0 77 77 A V H ><5S+ 0 0 52 -4,-2.5 3,-0.8 -5,-0.3 -2,-0.2 0.918 113.9 50.2 -59.8 -44.0 1.2 17.7 -4.7 78 78 A K H 3<5S+ 0 0 171 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.847 103.3 60.0 -63.8 -35.3 -0.4 17.1 -8.1 79 79 A A H 3<5S- 0 0 46 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.741 95.1-145.1 -65.7 -24.1 3.0 17.2 -9.9 80 80 A N T <<5 - 0 0 113 -4,-0.9 2,-0.2 -3,-0.8 -3,-0.1 0.978 26.0-167.3 53.7 63.7 4.2 14.2 -7.8 81 81 A I < - 0 0 22 -5,-0.6 2,-0.9 -79,-0.1 -79,-0.4 -0.487 24.9-119.6 -84.5 150.1 7.8 15.4 -7.6 82 82 A D > - 0 0 70 -2,-0.2 3,-2.1 1,-0.2 7,-0.3 -0.804 18.8-157.1 -90.9 105.5 10.7 13.3 -6.4 83 83 A V T 3 S+ 0 0 6 -2,-0.9 38,-0.3 1,-0.3 -1,-0.2 0.722 89.9 66.1 -55.3 -25.2 12.1 15.2 -3.3 84 84 A K T 3 S+ 0 0 75 1,-0.2 2,-1.6 37,-0.1 -1,-0.3 0.795 88.0 72.3 -67.1 -28.5 15.5 13.5 -3.8 85 85 A D <> + 0 0 74 -3,-2.1 4,-2.2 1,-0.2 3,-0.5 -0.606 63.1 174.8 -87.7 77.4 15.8 15.5 -7.1 86 86 A Q H > S+ 0 0 4 -2,-1.6 4,-2.7 1,-0.2 267,-0.2 0.849 76.5 58.6 -52.7 -37.9 16.4 18.9 -5.5 87 87 A K H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 107.9 44.1 -58.4 -47.3 16.9 20.3 -9.0 88 88 A A H > S+ 0 0 36 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.887 111.3 54.6 -65.1 -40.9 13.5 19.3 -10.2 89 89 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 -7,-0.3 -2,-0.2 0.957 114.7 40.0 -57.4 -50.7 11.9 20.5 -7.0 90 90 A D H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.832 109.9 56.4 -72.2 -33.3 13.4 23.9 -7.4 91 91 A D H X S+ 0 0 107 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.897 109.0 50.5 -64.0 -36.3 12.9 24.2 -11.2 92 92 A F H X S+ 0 0 56 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.954 112.6 44.7 -62.6 -51.9 9.1 23.6 -10.5 93 93 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.907 113.6 49.8 -59.3 -46.7 9.0 26.3 -7.8 94 94 A I H X S+ 0 0 50 -4,-2.8 4,-2.3 1,-0.2 5,-0.4 0.900 114.3 45.1 -61.1 -42.2 10.9 28.8 -9.9 95 95 A S H < S+ 0 0 94 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.893 108.5 56.8 -68.6 -40.8 8.7 28.1 -12.9 96 96 A L H < S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.918 110.9 44.4 -56.9 -44.0 5.5 28.3 -10.8 97 97 A D H < S- 0 0 3 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.948 88.5-164.6 -66.1 -51.0 6.5 31.8 -9.7 98 98 A G < + 0 0 62 -4,-2.3 2,-0.3 1,-0.2 -3,-0.1 0.649 48.2 100.8 75.7 15.9 7.5 32.9 -13.2 99 99 A T S > S- 0 0 44 -5,-0.4 3,-0.6 1,-0.1 -1,-0.2 -0.935 72.1-128.9-130.0 155.2 9.5 36.0 -12.2 100 100 A A T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.913 110.5 38.1 -68.7 -42.5 13.3 36.6 -11.9 101 101 A N T 3 S- 0 0 76 -56,-0.1 -55,-2.7 -3,-0.1 6,-0.3 0.200 110.9-115.3 -95.0 15.7 13.1 38.1 -8.4 102 102 A K <> + 0 0 5 -3,-0.6 4,-1.0 -57,-0.2 5,-0.2 0.855 68.0 144.2 53.4 39.8 10.4 35.7 -7.1 103 103 A S T 4 + 0 0 46 3,-0.2 -1,-0.1 2,-0.2 -5,-0.0 0.625 57.1 63.1 -82.7 -15.1 8.1 38.7 -6.7 104 104 A K T 4 S+ 0 0 124 1,-0.1 -1,-0.1 2,-0.0 -6,-0.1 0.969 125.3 9.4 -74.7 -54.5 4.9 36.8 -7.7 105 105 A L T 4 S- 0 0 3 -6,-0.1 -38,-0.2 -38,-0.0 -2,-0.2 0.733 112.2-114.1 -95.7 -27.7 4.8 34.2 -5.0 106 106 A G >X - 0 0 0 -4,-1.0 4,-1.7 3,-0.1 3,-1.5 0.251 11.7-108.1 100.3 134.9 7.5 35.7 -2.8 107 107 A A H 3> S+ 0 0 6 -61,-3.1 4,-2.5 -6,-0.3 5,-0.2 0.841 119.5 58.1 -63.2 -31.2 10.9 34.2 -1.9 108 108 A N H 34 S+ 0 0 5 -62,-0.6 -1,-0.3 1,-0.2 4,-0.2 0.529 106.5 48.4 -78.2 -3.6 9.7 33.6 1.6 109 109 A A H <> S+ 0 0 0 -3,-1.5 4,-0.6 2,-0.1 -1,-0.2 0.765 116.2 42.5 -97.6 -37.9 6.9 31.4 0.3 110 110 A I H >X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.1 3,-0.5 0.907 105.6 59.4 -75.0 -46.6 9.2 29.4 -2.0 111 111 A L H 3X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.862 99.0 57.0 -54.6 -43.8 12.2 28.8 0.2 112 112 A G H 3> S+ 0 0 0 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 110.6 44.5 -57.0 -40.8 10.4 26.9 2.9 113 113 A V H S+ 0 0 4 -4,-1.9 5,-2.4 1,-0.2 4,-0.6 0.898 108.8 49.4 -62.7 -41.0 17.2 12.8 3.5 123 123 A A H <5S+ 0 0 34 -4,-1.8 3,-0.4 3,-0.2 -1,-0.2 0.862 108.9 53.5 -67.1 -33.8 14.8 10.8 5.5 124 124 A E H <5S+ 0 0 65 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.931 111.6 44.1 -64.9 -44.2 13.9 8.8 2.4 125 125 A K H <5S- 0 0 69 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