==== 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 ISOMERASE 30-MAR-07 2EQ5 . COMPND 2 MOLECULE: 228AA LONG HYPOTHETICAL HYDANTOIN RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 844 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 127 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 79 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 5 2 1 7 3 6 2 0 1 0 4 0 3 0 0 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 9 3 0 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 8 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 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 3 A K 0 0 200 0, 0.0 2,-0.3 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 158.0 113.6 31.1 -3.8 2 4 A Y E -a 32 0A 63 29,-2.9 31,-3.5 69,-0.0 2,-0.6 -0.764 360.0-133.9-105.3 150.8 111.7 34.3 -4.5 3 5 A T E -a 33 0A 45 -2,-0.3 69,-2.7 67,-0.2 70,-0.9 -0.927 19.4-167.4-112.4 120.1 112.6 37.8 -3.2 4 6 A I E -ab 34 73A 0 29,-3.1 31,-3.8 -2,-0.6 2,-0.8 -0.855 15.8-143.5-107.4 137.8 109.9 40.0 -1.6 5 7 A G E -ab 35 74A 0 68,-2.4 70,-1.7 -2,-0.4 2,-0.5 -0.882 23.3-165.4 -97.6 111.6 110.3 43.7 -0.8 6 8 A L E -ab 36 75A 0 29,-3.7 31,-3.3 -2,-0.8 2,-0.5 -0.869 3.5-154.1-104.6 132.2 108.4 44.3 2.4 7 9 A I E -ab 37 76A 0 68,-2.2 70,-1.8 -2,-0.5 2,-0.5 -0.879 3.5-156.9-108.9 130.6 107.5 47.8 3.5 8 10 A R E -a 38 0A 25 29,-2.0 31,-1.8 -2,-0.5 70,-0.1 -0.904 8.5-152.7-102.2 127.7 106.9 48.9 7.1 9 11 A V S S+ 0 0 12 -2,-0.5 2,-0.4 68,-0.4 -1,-0.1 0.220 78.8 69.9 -85.9 15.7 104.7 52.0 7.3 10 12 A I S S- 0 0 51 35,-0.2 2,-0.4 34,-0.1 29,-0.1 -0.998 90.2-114.1-133.9 136.2 106.4 52.9 10.6 11 13 A T - 0 0 21 31,-2.9 2,-0.4 -2,-0.4 29,-0.1 -0.579 36.7-173.8 -74.1 124.3 110.0 54.0 11.1 12 14 A L - 0 0 35 -2,-0.4 26,-0.2 27,-0.1 -4,-0.0 -0.979 21.6-175.6-125.2 131.5 112.1 51.4 13.0 13 15 A E + 0 0 161 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 0.849 68.7 82.3 -89.9 -40.7 115.7 51.7 14.2 14 16 A D > - 0 0 82 1,-0.2 4,-2.6 2,-0.1 3,-0.3 -0.576 68.5-155.5 -70.1 109.9 116.1 48.2 15.6 15 17 A K H > S+ 0 0 157 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.892 94.3 57.7 -51.1 -44.0 117.0 46.2 12.5 16 18 A E H 4 S+ 0 0 135 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.914 109.4 43.4 -53.3 -49.2 115.7 43.1 14.4 17 19 A I H >4 S+ 0 0 75 -3,-0.3 3,-2.1 1,-0.2 4,-0.4 0.933 107.9 57.1 -64.1 -50.5 112.3 44.8 14.9 18 20 A L H 3< S+ 0 0 23 -4,-2.6 3,-0.5 1,-0.3 4,-0.3 0.866 110.6 47.6 -48.8 -38.7 112.0 46.1 11.3 19 21 A N T 3X S+ 0 0 40 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.3 0.399 77.7 101.7 -87.3 0.4 112.5 42.5 10.1 20 22 A L H <> S+ 0 0 46 -3,-2.1 4,-1.4 -4,-0.2 -1,-0.2 0.846 83.8 49.9 -54.2 -36.7 110.0 40.7 12.4 21 23 A H H > S+ 0 0 1 -3,-0.5 4,-1.9 -4,-0.4 -1,-0.2 0.919 109.5 47.6 -69.2 -47.3 107.4 40.5 9.6 22 24 A G H > S+ 0 0 1 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.868 110.2 53.5 -62.6 -37.5 109.7 39.1 6.9 23 25 A R H X S+ 0 0 132 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 107.1 52.5 -63.1 -40.0 111.0 36.5 9.3 24 26 A I H X S+ 0 0 38 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.899 113.5 43.0 -62.1 -43.6 107.4 35.5 10.0 25 27 A I H X S+ 0 0 0 -4,-1.9 4,-3.7 2,-0.2 -2,-0.2 0.906 114.0 50.1 -69.8 -43.5 106.7 35.0 6.3 26 28 A E H < S+ 0 0 67 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.869 109.7 52.6 -63.0 -38.8 110.0 33.3 5.6 27 29 A S H < S+ 0 0 97 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.981 117.1 37.2 -59.0 -56.6 109.3 30.9 8.5 28 30 A A H < S+ 0 0 10 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.907 129.1 32.2 -62.4 -46.9 105.9 30.0 7.1 29 31 A F >< - 0 0 1 -4,-3.7 3,-1.1 -5,-0.1 -1,-0.2 -0.878 64.9-177.1-121.3 97.1 106.9 30.1 3.4 30 32 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.734 78.8 68.4 -62.9 -29.7 110.5 28.9 2.8 31 33 A E T 3 S+ 0 0 47 -30,-0.1 -29,-2.9 2,-0.0 2,-0.4 0.782 93.6 79.5 -63.3 -22.2 110.5 29.5 -1.0 32 34 A L E < -a 2 0A 3 -3,-1.1 2,-0.5 -31,-0.2 -29,-0.2 -0.735 59.1-168.9 -97.1 133.7 110.2 33.2 -0.1 33 35 A K E -a 3 0A 101 -31,-3.5 -29,-3.1 -2,-0.4 2,-0.5 -0.978 18.2-154.1-115.2 122.9 113.1 35.5 1.0 34 36 A V E -a 4 0A 9 -2,-0.5 2,-0.7 -31,-0.2 -29,-0.2 -0.886 12.5-163.7-110.8 124.3 111.8 38.8 2.4 35 37 A V E -a 5 0A 39 -31,-3.8 -29,-3.7 -2,-0.5 2,-0.4 -0.903 19.2-157.9-101.7 116.6 113.7 42.1 2.4 36 38 A S E +a 6 0A 7 -2,-0.7 2,-0.3 -31,-0.2 -29,-0.2 -0.832 16.7 170.4-103.2 134.1 112.0 44.5 4.8 37 39 A R E -a 7 0A 72 -31,-3.3 -29,-2.0 -2,-0.4 2,-0.2 -0.999 16.3-147.4-141.5 139.3 112.4 48.3 4.6 38 40 A C E -a 8 0A 26 -2,-0.3 2,-0.2 -31,-0.2 -29,-0.2 -0.600 20.7-107.2-105.7 165.3 110.6 51.1 6.5 39 41 A I - 0 0 0 -31,-1.8 3,-0.3 -2,-0.2 -27,-0.1 -0.560 37.6-128.6 -85.9 156.6 109.5 54.6 5.7 40 42 A E S S+ 0 0 66 -2,-0.2 -1,-0.1 1,-0.2 18,-0.1 -0.424 78.1 31.6-100.8 174.1 111.4 57.4 7.3 41 43 A D S S+ 0 0 134 -2,-0.1 -1,-0.2 1,-0.1 3,-0.0 0.793 98.4 90.8 47.1 35.8 110.3 60.5 9.3 42 44 A Q > + 0 0 8 -3,-0.3 -31,-2.9 1,-0.0 3,-0.8 -0.463 37.2 157.1-156.5 72.2 107.3 58.6 10.7 43 45 A P T 3 S+ 0 0 93 0, 0.0 -33,-0.0 0, 0.0 -2,-0.0 0.717 81.1 51.5 -70.8 -24.6 108.3 56.9 14.0 44 46 A K T 3 S- 0 0 153 1,-0.2 -34,-0.1 -34,-0.1 7,-0.0 0.425 98.5-158.1 -92.3 -2.2 104.6 56.8 15.0 45 47 A G < - 0 0 2 -3,-0.8 2,-0.6 -6,-0.1 -1,-0.2 -0.177 41.5 -25.2 62.7-151.3 103.6 55.2 11.7 46 48 A I + 0 0 27 1,-0.1 34,-0.1 -4,-0.1 3,-0.1 -0.898 63.9 142.0-106.1 118.3 100.1 55.4 10.3 47 49 A Y S S+ 0 0 109 -2,-0.6 2,-0.2 1,-0.1 -1,-0.1 0.266 70.3 6.4-134.5 5.8 97.2 55.8 12.7 48 50 A N S > S- 0 0 66 1,-0.0 4,-1.1 0, 0.0 5,-0.1 -0.888 91.6 -72.5-164.0-165.7 94.8 58.2 10.8 49 51 A E H > S+ 0 0 138 -2,-0.2 4,-3.1 2,-0.2 5,-0.2 0.833 122.7 50.5 -74.5 -35.9 94.2 59.9 7.4 50 52 A E H > S+ 0 0 151 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.966 113.6 42.1 -67.5 -55.6 97.0 62.4 7.8 51 53 A T H > S+ 0 0 9 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.836 117.7 52.2 -60.4 -31.7 99.8 60.0 8.7 52 54 A E H >X S+ 0 0 36 -4,-1.1 4,-1.7 2,-0.2 3,-1.6 0.999 112.9 39.6 -66.1 -68.3 98.3 57.8 6.0 53 55 A R H 3< S+ 0 0 168 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.771 114.4 58.3 -52.4 -27.4 98.3 60.4 3.2 54 56 A E H 3< S+ 0 0 98 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.3 0.823 108.8 43.1 -72.4 -32.0 101.6 61.5 4.5 55 57 A A H S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.866 114.6 48.1 -66.3 -38.1 104.6 59.1 -1.2 58 60 A K H > S+ 0 0 20 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.910 112.8 49.2 -68.0 -43.4 107.3 57.4 0.9 59 61 A I H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.961 111.9 48.9 -58.1 -52.5 105.6 54.0 0.4 60 62 A I H X S+ 0 0 32 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.838 110.4 51.1 -57.0 -37.6 105.4 54.6 -3.3 61 63 A R H X S+ 0 0 134 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.884 113.9 43.3 -70.2 -39.4 109.1 55.6 -3.4 62 64 A L H X S+ 0 0 23 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.927 111.1 54.0 -71.1 -45.4 110.2 52.5 -1.6 63 65 A A H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.894 110.4 48.7 -54.2 -42.1 108.0 50.2 -3.6 64 66 A K H X S+ 0 0 71 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.874 108.5 52.0 -66.2 -41.7 109.5 51.6 -6.7 65 67 A E H X S+ 0 0 83 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.770 105.9 56.5 -67.3 -27.2 113.1 51.2 -5.5 66 68 A F H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 -1,-0.2 0.834 105.2 51.1 -73.2 -33.0 112.3 47.5 -4.7 67 69 A E H ><5S+ 0 0 58 -4,-1.1 3,-1.2 -3,-0.2 -2,-0.2 0.870 105.9 53.6 -72.3 -37.5 111.3 46.8 -8.3 68 70 A R H 3<5S+ 0 0 185 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.729 106.7 55.1 -68.6 -22.1 114.5 48.3 -9.7 69 71 A E T 3<5S- 0 0 102 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.488 123.4-104.4 -89.7 -4.8 116.4 46.0 -7.5 70 72 A G T < 5 + 0 0 49 -3,-1.2 -67,-0.2 1,-0.2 -3,-0.2 0.614 56.6 164.5 96.4 12.7 114.6 42.9 -8.8 71 73 A V < - 0 0 9 -5,-2.2 -1,-0.2 1,-0.1 -67,-0.2 -0.365 35.4-140.9 -62.6 143.7 112.1 41.9 -6.1 72 74 A D S S- 0 0 58 -69,-2.7 2,-0.3 1,-0.2 -68,-0.2 0.732 77.0 -2.6 -77.7 -23.0 109.5 39.5 -7.5 73 75 A A E -b 4 0A 0 -70,-0.9 -68,-2.4 20,-0.2 2,-0.3 -0.991 63.5-123.4-162.8 164.5 106.7 41.2 -5.5 74 76 A I E -bc 5 95A 0 20,-2.4 22,-3.2 -2,-0.3 2,-0.4 -0.853 13.3-167.9-115.2 149.0 105.7 43.9 -3.0 75 77 A I E -bc 6 96A 0 -70,-1.7 -68,-2.2 -2,-0.3 2,-1.1 -0.950 11.9-153.6-137.0 112.5 103.9 43.5 0.3 76 78 A I E -bc 7 97A 0 20,-3.0 2,-2.3 -2,-0.4 22,-1.9 -0.809 18.7-147.0 -88.2 104.1 102.7 46.6 2.0 77 79 A S + 0 0 2 -70,-1.8 -68,-0.4 -2,-1.1 2,-0.3 -0.345 61.1 96.2 -76.0 62.1 102.7 45.4 5.6 78 80 A C S > S- 0 0 18 -2,-2.3 3,-1.6 -70,-0.1 21,-1.2 -0.980 70.7-134.0-150.1 137.8 99.8 47.3 6.9 79 81 A A T 3 S+ 0 0 6 -2,-0.3 47,-0.2 19,-0.3 46,-0.1 0.644 104.1 64.4 -65.6 -18.7 96.1 46.2 7.4 80 82 A A T 3 S- 0 0 22 45,-0.1 -1,-0.3 19,-0.1 3,-0.2 0.493 102.4-130.9 -83.7 -4.4 94.9 49.5 5.9 81 83 A D X - 0 0 17 -3,-1.6 3,-1.5 -5,-0.2 2,-0.5 0.929 29.4-155.5 51.8 49.0 96.5 48.6 2.5 82 84 A P T 3 - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.430 69.3 -14.6 -62.7 109.0 98.1 52.1 2.5 83 85 A A T 3> S+ 0 0 6 -2,-0.5 4,-3.0 -3,-0.2 5,-0.2 0.539 95.4 129.2 74.6 10.7 98.8 53.1 -1.2 84 86 A V H <> S+ 0 0 1 -3,-1.5 4,-2.1 2,-0.2 5,-0.2 0.915 74.3 46.4 -61.6 -43.8 98.3 49.5 -2.4 85 87 A E H > S+ 0 0 99 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.948 115.3 46.7 -63.5 -48.2 95.9 50.6 -5.1 86 88 A K H > S+ 0 0 105 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.949 112.6 48.8 -58.5 -52.6 98.2 53.4 -6.2 87 89 A V H >X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 3,-0.7 0.861 105.4 57.7 -57.5 -40.3 101.3 51.3 -6.2 88 90 A R H 3< S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.927 103.4 53.6 -57.1 -45.0 99.7 48.5 -8.3 89 91 A K H 3< S+ 0 0 191 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.775 114.6 44.1 -59.0 -26.8 98.9 51.0 -11.0 90 92 A L H << S+ 0 0 96 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.765 105.2 62.1 -91.3 -31.9 102.6 52.0 -11.0 91 93 A L < - 0 0 17 -4,-2.2 4,-0.1 2,-0.1 -27,-0.1 -0.579 62.8-143.2-101.7 163.6 104.5 48.7 -10.9 92 94 A S S S+ 0 0 118 -2,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.047 82.0 70.6-108.3 22.3 104.8 45.6 -13.2 93 95 A I S S- 0 0 37 -5,-0.1 -20,-0.2 1,-0.0 -2,-0.1 -0.871 99.0 -76.0-131.1 162.9 104.9 43.1 -10.4 94 96 A P - 0 0 16 0, 0.0 -20,-2.4 0, 0.0 2,-0.6 -0.331 38.0-153.5 -62.2 141.8 102.3 41.9 -7.9 95 97 A V E -c 74 0A 6 -22,-0.2 2,-0.3 230,-0.1 -20,-0.2 -0.944 13.7-163.4-121.3 106.0 101.5 44.3 -5.0 96 98 A I E -c 75 0A 4 -22,-3.2 -20,-3.0 -2,-0.6 2,-0.4 -0.693 2.4-156.6 -92.1 140.2 100.2 42.5 -1.9 97 99 A G E > -c 76 0A 0 -2,-0.3 4,-2.6 227,-0.3 5,-0.2 -0.962 18.0-144.7-121.0 134.4 98.4 44.2 0.9 98 100 A A H > S+ 0 0 0 -22,-1.9 4,-2.3 -20,-0.5 -19,-0.3 0.887 103.3 51.8 -59.2 -38.3 98.1 42.8 4.5 99 101 A G H > S+ 0 0 0 -21,-1.2 4,-1.4 -23,-0.3 -1,-0.2 0.908 115.6 36.1 -66.4 -47.7 94.6 44.3 4.7 100 102 A S H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.792 117.0 56.4 -77.1 -27.4 93.2 42.7 1.5 101 103 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.932 108.8 43.5 -69.4 -46.4 95.2 39.5 2.1 102 104 A V H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.913 119.7 42.2 -67.7 -39.8 93.8 38.8 5.6 103 105 A S H X S+ 0 0 0 -4,-1.4 4,-1.2 -5,-0.2 -2,-0.2 0.881 115.5 48.7 -75.1 -37.7 90.2 39.6 4.6 104 106 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.947 113.9 45.8 -66.5 -47.6 90.3 37.8 1.3 105 107 A L H < S+ 0 0 3 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.762 104.7 62.7 -66.7 -27.2 91.9 34.6 2.7 106 108 A A H >X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 3,-1.7 0.898 98.5 56.2 -63.9 -39.5 89.4 34.7 5.6 107 109 A L H 3< S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.734 97.1 62.8 -64.1 -24.2 86.6 34.2 3.1 108 110 A A T 3< S+ 0 0 1 -4,-0.6 205,-0.4 -3,-0.4 -1,-0.3 0.580 110.9 40.2 -77.1 -10.6 88.3 31.1 1.8 109 111 A Y T <4 S- 0 0 29 -3,-1.7 2,-0.3 1,-0.4 -2,-0.2 0.714 133.1 -10.7-105.5 -33.8 87.8 29.6 5.3 110 112 A G < - 0 0 0 -4,-1.9 -1,-0.4 1,-0.1 62,-0.1 -0.961 45.3-141.2-165.6 147.4 84.3 30.9 6.0 111 113 A R S S+ 0 0 65 -2,-0.3 2,-1.3 1,-0.2 -4,-0.1 0.741 93.0 73.7 -85.3 -23.7 81.7 33.4 4.7 112 114 A R S S- 0 0 114 57,-0.1 59,-3.5 22,-0.1 60,-1.1 -0.740 74.9-177.7 -91.9 94.1 80.7 34.5 8.1 113 115 A V E -de 134 172B 0 20,-2.3 22,-2.9 -2,-1.3 23,-0.8 -0.787 16.8-168.0-100.7 134.6 83.7 36.6 9.0 114 116 A G E -de 136 173B 0 58,-2.4 60,-2.2 -2,-0.4 2,-0.4 -0.891 15.1-142.3-113.5 147.0 84.3 38.5 12.2 115 117 A V E -de 137 174B 0 21,-2.7 23,-2.1 -2,-0.4 2,-0.6 -0.937 7.0-160.1-115.6 134.3 87.1 41.0 12.6 116 118 A L E +de 138 175B 0 58,-2.2 60,-1.9 -2,-0.4 61,-0.3 -0.928 17.4 176.4-115.5 110.5 89.2 41.5 15.7 117 119 A N - 0 0 8 21,-2.5 4,-0.1 -2,-0.6 5,-0.1 -0.434 29.9-134.8-101.2 178.3 91.0 44.8 15.9 118 120 A L S S- 0 0 10 21,-0.2 25,-0.2 3,-0.2 -1,-0.1 0.868 80.2 -41.6 -96.3 -63.7 93.2 46.3 18.7 119 121 A T S S+ 0 0 94 2,-0.1 -2,-0.1 20,-0.1 25,-0.0 0.534 114.4 86.3-135.0 -44.8 91.9 49.9 19.1 120 122 A E S S- 0 0 92 1,-0.1 -2,-0.1 56,-0.0 56,-0.1 -0.246 83.8-108.5 -62.0 151.1 91.3 51.3 15.6 121 123 A E - 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