==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-JAN-10 3LHV . COMPND 2 MOLECULE: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR A.A.FEDOROV,E.V.FEDOROV,B.M.WOOD,J.A.GERLT,S.C.ALMO . 870 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 17.5 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 . 4 0.5 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 . 45 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.3 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 8 0 0 4 0 0 8 8 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 20 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 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 0 0 0 0 0 4 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 8 A V 0 0 135 0, 0.0 167,-0.0 0, 0.0 145,-0.0 0.000 360.0 360.0 360.0 153.3 29.7 -20.4 11.8 2 9 A M - 0 0 39 1,-0.1 2,-1.2 2,-0.0 0, 0.0 -0.306 360.0-123.1 -60.6 141.2 26.4 -18.6 11.0 3 10 A D - 0 0 122 29,-0.1 2,-0.7 3,-0.0 -1,-0.1 -0.726 28.3-163.3 -91.4 92.3 25.5 -18.6 7.3 4 11 A V > - 0 0 12 -2,-1.2 3,-2.1 1,-0.1 5,-0.1 -0.667 22.5-120.4 -81.0 113.6 25.2 -15.0 6.4 5 12 A M G > S- 0 0 70 -2,-0.7 3,-1.7 1,-0.3 27,-0.3 -0.270 90.1 -8.6 -56.0 129.5 23.3 -14.5 3.1 6 13 A N G 3 S- 0 0 69 1,-0.3 -1,-0.3 25,-0.1 3,-0.1 0.634 108.8 -90.3 55.9 17.7 25.4 -12.8 0.5 7 14 A R G < S+ 0 0 75 -3,-2.1 185,-2.5 1,-0.2 2,-0.4 0.797 96.3 123.9 51.9 32.1 28.1 -12.0 3.1 8 15 A L E < -a 192 0A 2 -3,-1.7 2,-0.5 183,-0.2 25,-0.4 -0.976 43.5-166.8-129.9 121.7 26.2 -8.8 3.8 9 16 A I E -a 193 0A 0 183,-2.9 185,-2.9 -2,-0.4 2,-0.5 -0.912 18.5-134.1-109.3 128.4 25.0 -7.7 7.2 10 17 A L E -ab 194 34A 0 23,-1.7 25,-3.4 -2,-0.5 2,-1.1 -0.682 6.1-150.8 -83.3 125.7 22.5 -4.7 7.5 11 18 A A E - b 0 35A 4 183,-2.5 2,-1.5 -2,-0.5 188,-0.2 -0.824 14.7-161.4 -94.5 97.2 23.4 -2.2 10.2 12 19 A M E + b 0 36A 0 23,-2.0 25,-0.5 -2,-1.1 28,-0.2 -0.617 30.5 150.9 -85.9 85.4 19.8 -1.0 11.0 13 20 A D + 0 0 13 -2,-1.5 2,-0.2 23,-0.1 -1,-0.2 0.093 23.8 125.2-103.1 20.1 20.5 2.2 12.8 14 21 A L - 0 0 26 1,-0.1 186,-0.0 2,-0.1 -2,-0.0 -0.553 51.8-150.4 -73.5 148.8 17.4 4.1 11.9 15 22 A M + 0 0 49 -2,-0.2 2,-0.5 28,-0.1 -1,-0.1 0.362 69.0 88.0-105.6 5.6 15.7 5.3 15.1 16 23 A N > - 0 0 65 1,-0.1 4,-3.0 28,-0.0 5,-0.3 -0.913 68.3-146.0-108.0 125.9 12.1 5.2 13.8 17 24 A R H > S+ 0 0 54 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.923 99.5 48.1 -54.2 -50.2 10.2 1.9 14.2 18 25 A D H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 115.6 43.0 -60.1 -46.0 8.2 2.4 11.0 19 26 A D H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.916 113.0 52.1 -68.3 -42.6 11.3 3.3 8.9 20 27 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.912 113.3 45.1 -59.8 -42.9 13.5 0.5 10.4 21 28 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.913 113.2 50.0 -67.8 -43.5 10.8 -2.1 9.6 22 29 A R H X S+ 0 0 122 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.963 114.2 43.1 -59.9 -54.0 10.2 -0.8 6.1 23 30 A V H X S+ 0 0 1 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.909 114.2 49.7 -60.6 -45.4 13.8 -0.7 5.0 24 31 A T H >X S+ 0 0 2 -4,-2.1 4,-0.5 -5,-0.3 3,-0.5 0.914 111.9 49.6 -61.7 -40.8 14.6 -4.1 6.6 25 32 A G H >< S+ 0 0 34 -4,-2.3 3,-0.8 1,-0.2 4,-0.2 0.876 105.9 56.8 -65.4 -37.0 11.7 -5.6 4.8 26 33 A E H 3< S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.739 114.0 38.2 -67.4 -23.8 12.7 -4.1 1.5 27 34 A V H XX S+ 0 0 1 -4,-1.1 3,-2.4 -3,-0.5 4,-1.8 0.363 81.5 107.3-109.1 5.6 16.1 -5.8 1.6 28 35 A R T << S+ 0 0 69 -3,-0.8 -1,-0.1 -4,-0.5 -2,-0.1 0.729 72.9 62.5 -56.6 -25.0 15.1 -9.1 3.1 29 36 A E T 34 S+ 0 0 138 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.613 115.1 33.2 -77.4 -9.1 15.6 -10.9 -0.2 30 37 A Y T <4 S+ 0 0 63 -3,-2.4 2,-0.4 1,-0.3 -22,-0.2 0.623 122.0 42.8-115.3 -24.1 19.3 -9.9 -0.1 31 38 A I < + 0 0 2 -4,-1.8 -1,-0.3 -7,-0.2 -22,-0.1 -0.991 41.4 169.1-132.1 133.1 20.1 -10.0 3.6 32 39 A D + 0 0 19 -2,-0.4 27,-2.7 -24,-0.3 2,-0.4 0.249 68.9 71.6-121.7 8.4 19.1 -12.5 6.3 33 40 A T E - c 0 59A 0 -25,-0.4 -23,-1.7 25,-0.2 2,-0.4 -0.980 61.7-173.2-130.6 118.8 21.4 -11.1 9.1 34 41 A V E -bc 10 60A 2 25,-2.7 27,-2.4 -2,-0.4 2,-0.7 -0.937 16.3-148.0-119.0 133.4 20.6 -7.8 10.8 35 42 A K E -bc 11 61A 14 -25,-3.4 -23,-2.0 -2,-0.4 2,-0.5 -0.876 17.1-168.6 -98.7 117.4 22.7 -5.9 13.3 36 43 A I E +bc 12 62A 1 25,-2.2 27,-2.3 -2,-0.7 2,-0.1 -0.935 11.1 178.5-108.9 125.6 20.6 -4.0 15.7 37 44 A G E > - c 0 63A 2 -25,-0.5 4,-2.3 -2,-0.5 3,-0.4 -0.378 45.2 -79.7-112.7-167.5 22.3 -1.4 17.9 38 45 A Y H > S+ 0 0 11 25,-0.7 4,-2.7 1,-0.2 5,-0.3 0.782 115.5 70.2 -68.8 -28.7 21.4 1.1 20.6 39 46 A P H 4 S+ 0 0 1 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.951 114.3 28.9 -54.8 -44.0 20.2 3.8 18.2 40 47 A L H >> S+ 0 0 0 -3,-0.4 4,-2.6 -28,-0.2 3,-0.5 0.912 121.9 50.6 -80.8 -44.6 17.2 1.6 17.5 41 48 A V H 3X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -3,-0.2 0.891 111.0 47.8 -62.4 -41.2 16.9 -0.2 20.8 42 49 A L H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.668 117.6 44.9 -74.8 -14.2 17.0 2.9 23.0 43 50 A S H <4 S+ 0 0 42 -3,-0.5 -2,-0.2 -5,-0.3 -1,-0.2 0.784 131.3 16.3 -96.2 -33.6 14.4 4.5 20.7 44 51 A E H < S- 0 0 59 -4,-2.6 3,-0.2 1,-0.1 -3,-0.2 0.501 105.8-113.0-119.8 -8.5 12.0 1.6 20.3 45 52 A G >< - 0 0 17 -4,-2.4 3,-1.9 -5,-0.4 4,-0.2 -0.031 37.2 -71.6 94.6 160.4 12.8 -0.9 23.1 46 53 A M T >> S+ 0 0 24 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.691 120.3 77.0 -64.2 -18.2 14.2 -4.4 23.3 47 54 A D H 3> S+ 0 0 89 1,-0.3 4,-2.1 -3,-0.2 -1,-0.3 0.642 74.9 78.5 -67.8 -11.7 10.9 -5.7 21.9 48 55 A I H <> S+ 0 0 0 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.822 88.7 56.4 -65.3 -28.5 12.1 -4.4 18.5 49 56 A I H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.2 -1,-0.2 0.928 106.8 49.4 -66.1 -43.2 14.2 -7.6 18.4 50 57 A A H X S+ 0 0 53 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.868 110.4 50.1 -62.9 -39.1 11.0 -9.6 18.9 51 58 A E H X S+ 0 0 47 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.882 109.2 50.7 -69.9 -37.4 9.3 -7.7 16.1 52 59 A F H X>S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-1.1 0.902 110.9 49.4 -66.0 -40.4 12.1 -8.2 13.6 53 60 A R H X5S+ 0 0 104 -4,-2.1 4,-1.0 3,-0.2 -2,-0.2 0.938 115.2 43.7 -62.6 -47.7 12.1 -12.0 14.4 54 61 A K H <5S+ 0 0 189 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.938 121.2 38.8 -62.9 -49.6 8.4 -12.2 13.9 55 62 A R H <5S+ 0 0 134 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.871 138.7 8.8 -71.5 -40.5 8.3 -10.0 10.7 56 63 A F H <5S- 0 0 27 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.646 77.5-140.2-117.4 -22.5 11.5 -11.2 9.0 57 64 A G << + 0 0 38 -5,-1.1 -4,-0.2 -4,-1.0 2,-0.1 0.793 50.2 155.7 63.4 26.0 12.8 -14.2 10.9 58 65 A C - 0 0 0 -6,-0.6 -25,-0.2 1,-0.1 -1,-0.2 -0.458 51.5 -98.3 -83.8 156.4 16.2 -12.8 10.4 59 66 A R E -c 33 0A 65 -27,-2.7 -25,-2.7 -2,-0.1 2,-0.5 -0.492 40.3-143.8 -71.0 145.5 19.3 -13.5 12.5 60 67 A I E -c 34 0A 0 24,-0.2 26,-1.9 -27,-0.2 27,-1.5 -0.954 16.8-171.0-122.2 121.9 19.9 -10.7 15.1 61 68 A I E -cd 35 87A 0 -27,-2.4 -25,-2.2 -2,-0.5 2,-0.9 -0.945 19.5-144.5-107.8 116.2 23.3 -9.5 16.2 62 69 A A E -cd 36 88A 1 25,-3.2 27,-2.2 -2,-0.6 2,-1.7 -0.731 8.1-158.2 -84.8 106.1 22.9 -7.1 19.1 63 70 A D E +c 37 0A 9 -27,-2.3 -25,-0.7 -2,-0.9 25,-0.1 -0.598 40.6 139.1 -86.7 80.8 25.6 -4.5 18.7 64 71 A F E - 0 0 8 -2,-1.7 3,-0.2 25,-0.4 -1,-0.2 0.383 52.8-141.5-104.8 2.5 25.8 -3.2 22.3 65 72 A K E - 0 0 21 1,-0.2 25,-0.3 -3,-0.2 -2,-0.1 0.853 24.3-144.5 34.1 53.6 29.6 -2.9 22.4 66 73 A V E + d 0 90A 2 23,-1.9 25,-2.5 1,-0.1 -1,-0.2 -0.198 35.6 160.9 -49.0 121.2 29.4 -4.2 26.0 67 74 A A + 0 0 4 -3,-0.2 2,-0.2 23,-0.2 -1,-0.1 -0.219 29.6 105.1-144.6 49.8 32.1 -2.4 27.9 68 75 A D S S- 0 0 14 1,-0.2 269,-0.0 30,-0.1 214,-0.0 -0.448 75.9 -67.0-117.6-170.6 31.4 -2.7 31.7 69 76 A I > - 0 0 18 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.343 57.7 -98.4 -74.0 163.5 32.7 -4.6 34.7 70 77 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.905 121.2 52.0 -49.2 -50.5 32.2 -8.4 34.7 71 78 A E H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 27,-0.0 0.902 115.5 40.0 -55.8 -47.0 29.1 -8.2 37.0 72 79 A T H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 110.8 58.2 -72.4 -37.3 27.3 -5.7 34.9 73 80 A N H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.903 103.7 54.0 -57.9 -41.4 28.4 -7.3 31.6 74 81 A E H X S+ 0 0 57 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.910 109.0 47.5 -59.9 -43.6 26.7 -10.5 32.7 75 82 A K H X S+ 0 0 29 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.892 110.8 51.3 -65.4 -41.8 23.4 -8.8 33.3 76 83 A I H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.939 111.8 47.0 -61.6 -46.9 23.6 -7.0 30.0 77 84 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.913 111.4 51.2 -62.0 -43.2 24.2 -10.2 28.1 78 85 A R H X S+ 0 0 80 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.927 112.1 45.8 -60.8 -45.9 21.4 -12.0 30.0 79 86 A A H X S+ 0 0 9 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.885 113.9 50.2 -64.6 -38.3 18.8 -9.3 29.2 80 87 A T H <>S+ 0 0 0 -4,-2.2 5,-1.7 -5,-0.2 4,-0.3 0.904 113.5 42.7 -68.7 -43.0 19.9 -9.2 25.6 81 88 A F H ><5S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.855 109.2 59.1 -72.6 -32.7 19.7 -13.0 25.0 82 89 A K H 3<5S+ 0 0 182 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.867 101.5 56.8 -61.3 -35.0 16.4 -13.2 26.9 83 90 A A T 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.620 128.7 -96.1 -72.3 -14.8 15.1 -10.7 24.3 84 91 A G T < 5 + 0 0 24 -3,-1.2 -24,-0.2 -4,-0.3 -3,-0.2 0.532 67.5 154.1 113.3 6.8 16.0 -13.0 21.5 85 92 A A < - 0 0 0 -5,-1.7 -1,-0.3 1,-0.1 -24,-0.2 -0.479 34.4-153.3 -70.4 136.8 19.3 -11.8 20.2 86 93 A D S S+ 0 0 55 -26,-1.9 26,-1.8 1,-0.2 2,-0.3 0.826 77.1 1.7 -77.1 -33.0 21.4 -14.6 18.5 87 94 A A E -de 61 112A 0 -27,-1.5 -25,-3.2 24,-0.2 2,-0.3 -0.963 62.8-146.0-150.5 163.6 24.6 -12.8 19.3 88 95 A I E -de 62 113A 0 24,-1.9 26,-2.7 -2,-0.3 2,-0.5 -0.985 17.1-129.5-135.9 144.2 26.0 -9.8 21.1 89 96 A I E - e 0 114A 2 -27,-2.2 -23,-1.9 -2,-0.3 -25,-0.4 -0.839 26.7-169.7 -98.2 130.5 29.1 -7.6 20.4 90 97 A V E -de 66 115A 0 24,-3.2 26,-3.1 -2,-0.5 2,-0.2 -0.930 21.5-121.6-123.0 141.3 31.5 -7.0 23.2 91 98 A H E - e 0 116A 3 -25,-2.5 26,-0.1 -2,-0.4 -23,-0.1 -0.552 13.5-160.5 -76.8 143.4 34.5 -4.6 23.6 92 99 A G S > S+ 0 0 0 24,-1.3 3,-2.0 -2,-0.2 7,-0.2 0.686 75.0 81.9 -97.1 -19.6 37.8 -6.2 24.3 93 100 A F T 3 S+ 0 0 2 23,-0.3 253,-0.6 1,-0.3 252,-0.4 0.773 79.1 67.3 -59.9 -26.7 39.6 -3.2 25.7 94 101 A P T 3 S- 0 0 0 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.581 112.4-105.9 -71.6 -4.2 38.1 -3.5 29.2 95 102 A G <> - 0 0 0 -3,-2.0 4,-1.5 1,-0.1 5,-0.1 -0.295 32.5 -62.9 110.1 168.2 40.0 -6.7 29.7 96 103 A A H > S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.857 122.6 54.9 -63.3 -42.5 39.8 -10.5 29.9 97 104 A D H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 108.2 50.4 -62.4 -37.9 37.5 -10.8 32.9 98 105 A S H > S+ 0 0 1 -4,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.884 114.2 44.3 -66.7 -37.6 34.9 -8.5 31.3 99 106 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 3,-0.4 0.925 110.7 53.9 -71.8 -44.0 35.0 -10.6 28.1 100 107 A R H X S+ 0 0 116 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.862 102.2 59.3 -57.8 -37.2 35.0 -13.9 30.0 101 108 A A H X S+ 0 0 3 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.908 109.0 44.1 -58.6 -41.9 31.8 -12.7 31.8 102 109 A C H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.4 -2,-0.2 0.903 111.5 52.8 -70.1 -42.0 30.1 -12.4 28.5 103 110 A L H X S+ 0 0 36 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.886 107.0 53.4 -60.7 -40.2 31.4 -15.7 27.1 104 111 A N H X S+ 0 0 91 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.919 111.2 44.6 -62.5 -44.1 30.1 -17.5 30.2 105 112 A V H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.920 112.6 51.8 -66.9 -42.1 26.6 -16.1 29.8 106 113 A A H X>S+ 0 0 4 -4,-2.6 5,-2.6 2,-0.2 4,-0.7 0.901 111.9 47.2 -60.6 -41.0 26.6 -16.9 26.1 107 114 A E H ><5S+ 0 0 156 -4,-2.5 3,-0.7 2,-0.2 -2,-0.2 0.937 114.2 46.2 -65.3 -47.7 27.7 -20.5 26.8 108 115 A E H 3<5S+ 0 0 130 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.857 119.3 41.6 -63.3 -36.2 25.1 -20.9 29.5 109 116 A M H 3<5S- 0 0 59 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.393 110.0-117.2 -95.5 2.6 22.4 -19.4 27.3 110 117 A G T <<5S+ 0 0 60 -3,-0.7 -3,-0.2 -4,-0.7 2,-0.2 0.827 74.8 113.0 67.5 33.9 23.3 -21.1 24.0 111 118 A R < - 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d 0 714G 0 -25,-0.4 -23,-1.9 25,-0.2 2,-0.4 -0.978 60.9-172.4-136.1 119.4 9.5 43.3 8.8 689 41 D V E -cd 665 715G 4 25,-2.8 27,-2.4 -2,-0.4 2,-0.7 -0.948 15.0-149.5-119.5 131.2 10.1 39.9 10.5 690 42 D K E -cd 666 716G 12 -25,-3.3 -23,-1.8 -2,-0.4 2,-0.5 -0.871 17.5-168.4 -97.3 117.8 7.9 38.2 13.0 691 43 D I E +cd 667 717G 0 25,-2.4 27,-2.3 -2,-0.7 2,-0.1 -0.936 10.9 177.0-110.0 127.2 10.0 36.1 15.4 692 44 D G E > - d 0 718G 1 -25,-0.5 4,-2.2 -2,-0.5 3,-0.4 -0.410 46.2 -77.7-115.6-167.8 8.2 33.7 17.7 693 45 D Y H > S+ 0 0 12 25,-0.7 4,-2.9 1,-0.2 5,-0.4 0.796 115.7 69.3 -66.2 -30.5 8.9 31.0 20.3 694 46 D P H 4 S+ 0 0 2 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.949 114.0 29.3 -54.6 -45.5 9.8 28.3 17.8 695 47 D L H > S+ 0 0 0 -3,-0.4 4,-2.5 -28,-0.3 3,-0.4 0.914 122.4 50.3 -79.4 -43.7 13.0 30.2 16.9 696 48 D V H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -3,-0.2 0.898 111.2 47.3 -62.6 -43.0 13.6 31.9 20.2 697 49 D L H < S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.688 117.9 44.3 -73.8 -16.1 13.3 28.8 22.4 698 50 D S H 4 S+ 0 0 46 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.784 131.4 17.1 -95.4 -32.6 15.6 27.0 20.0 699 51 D E H < S- 0 0 76 -4,-2.5 -3,-0.2 1,-0.1 3,-0.2 0.527 106.2-111.2-119.2 -10.0 18.3 29.6 19.5 700 52 D G >< - 0 0 22 -4,-2.5 3,-1.5 -5,-0.4 4,-0.2 -0.039 34.7 -75.4 97.1 159.4 17.9 32.1 22.3 701 53 D M T >> S+ 0 0 19 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.660 116.8 77.6 -67.4 -17.2 16.8 35.8 22.6 702 54 D D H 3> S+ 0 0 140 1,-0.3 4,-1.7 -3,-0.2 -1,-0.3 0.646 75.5 79.3 -68.2 -11.7 20.1 37.0 21.1 703 55 D I H <> S+ 0 0 3 -3,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.814 85.3 60.4 -64.7 -29.3 18.7 36.0 17.7 704 56 D I H <> S+ 0 0 1 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.941 105.2 45.6 -63.9 -47.9 16.7 39.2 17.7 705 57 D A H X S+ 0 0 52 -4,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.870 110.1 56.0 -63.4 -36.3 19.8 41.4 17.9 706 58 D E H X S+ 0 0 36 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.879 106.1 50.6 -64.3 -37.3 21.5 39.3 15.2 707 59 D F H X>S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.7 0.909 110.1 48.7 -66.8 -41.8 18.6 39.9 12.9 708 60 D R H X5S+ 0 0 112 -4,-1.9 4,-0.6 3,-0.2 -1,-0.2 0.826 113.7 48.4 -66.6 -30.9 18.7 43.7 13.4 709 61 D K H <5S+ 0 0 186 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.889 119.6 35.9 -75.3 -41.9 22.5 43.5 12.8 710 62 D R H <5S+ 0 0 122 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.861 137.8 14.2 -80.5 -39.2 22.3 41.4 9.6 711 63 D F H <5S- 0 0 31 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.569 80.0-138.4-116.2 -12.8 19.1 42.8 8.1 712 64 D G << + 0 0 64 -5,-0.7 -4,-0.2 -4,-0.6 2,-0.2 0.881 54.4 153.6 53.3 36.9 18.3 46.0 9.9 713 65 D C - 0 0 11 -6,-0.5 2,-0.2 1,-0.1 -25,-0.2 -0.488 52.5 -98.8 -95.0 165.6 14.7 44.8 9.8 714 66 D R E -d 688 0G 56 -27,-2.6 -25,-2.8 -2,-0.2 2,-0.5 -0.611 38.7-147.2 -80.4 143.3 11.8 45.6 12.1 715 67 D I E -d 689 0G 0 -2,-0.2 26,-2.3 24,-0.2 27,-1.3 -0.959 14.3-170.5-123.1 121.0 11.2 42.8 14.6 716 68 D I E -de 690 742G 0 -27,-2.4 -25,-2.4 -2,-0.5 2,-0.9 -0.937 18.2-144.3-107.6 117.7 7.8 41.8 16.0 717 69 D A E -de 691 743G 0 25,-3.0 27,-2.2 -2,-0.6 2,-1.6 -0.735 8.9-159.5 -84.7 106.2 8.1 39.4 18.9 718 70 D D E +d 692 0G 8 -27,-2.3 -25,-0.7 -2,-0.9 25,-0.1 -0.616 37.7 142.1 -88.0 81.3 5.1 37.0 18.5 719 71 D F E - 0 0 5 -2,-1.6 3,-0.2 25,-0.4 -1,-0.2 0.338 53.7-137.3-104.3 5.9 5.0 35.7 22.1 720 72 D K E - 0 0 23 1,-0.2 25,-0.3 -3,-0.1 -2,-0.1 0.859 26.8-147.2 39.4 48.8 1.1 35.5 22.5 721 73 D V E + e 0 745G 3 23,-1.9 25,-2.4 1,-0.1 -1,-0.2 -0.203 35.9 157.1 -50.2 121.4 1.6 37.1 26.0 722 74 D A + 0 0 5 -3,-0.2 2,-0.1 23,-0.1 -1,-0.1 -0.161 28.0 106.0-146.7 47.4 -1.2 35.5 28.1 723 75 D D S S- 0 0 13 1,-0.2 -167,-0.0 30,-0.1 -222,-0.0 -0.403 75.5 -68.0-114.1-170.6 -0.2 35.7 31.8 724 76 D I > - 0 0 14 -2,-0.1 4,-2.9 1,-0.1 3,-0.2 -0.368 57.1 -98.0 -75.3 162.6 -1.3 37.8 34.8 725 77 D P H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.903 121.1 51.1 -47.3 -53.1 -0.4 41.5 34.9 726 78 D E H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 27,-0.0 0.894 115.9 40.5 -55.2 -45.6 2.7 41.1 37.0 727 79 D T H > S+ 0 0 14 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 110.6 58.3 -73.1 -37.0 4.2 38.3 34.8 728 80 D N H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.901 103.5 53.7 -58.2 -41.3 3.2 40.0 31.6 729 81 D E H X S+ 0 0 74 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.921 109.9 47.0 -60.9 -42.8 5.2 43.1 32.6 730 82 D K H X S+ 0 0 51 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.906 111.0 51.5 -65.4 -42.2 8.3 41.0 33.1 731 83 D I H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.927 111.8 46.9 -61.0 -44.9 7.8 39.1 29.8 732 84 D C H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.910 111.3 51.1 -64.3 -42.2 7.5 42.4 27.9 733 85 D R H X S+ 0 0 71 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.930 111.9 46.2 -61.9 -45.7 10.6 43.9 29.7 734 86 D A H X S+ 0 0 6 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.883 114.0 50.3 -63.6 -38.1 12.7 40.9 28.8 735 87 D T H <>S+ 0 0 0 -4,-2.1 5,-1.5 -5,-0.2 3,-0.3 0.913 112.6 43.7 -67.8 -45.0 11.5 40.9 25.2 736 88 D F H ><5S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.817 106.9 61.1 -72.2 -28.6 12.1 44.6 24.6 737 89 D K H 3<5S+ 0 0 149 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.832 99.4 58.8 -64.7 -28.5 15.5 44.4 26.3 738 90 D A T 3<5S- 0 0 24 -4,-1.0 -1,-0.3 -3,-0.3 -33,-0.2 0.510 127.7 -98.7 -78.0 -5.5 16.3 41.9 23.5 739 91 D G T < 5 + 0 0 12 -3,-1.5 -24,-0.2 1,-0.3 -3,-0.2 0.531 67.1 154.9 102.6 6.2 15.7 44.5 20.9 740 92 D A < - 0 0 0 -5,-1.5 -1,-0.3 1,-0.1 -24,-0.2 -0.445 33.8-154.7 -68.9 140.2 12.1 43.7 19.8 741 93 D D S S+ 0 0 49 -26,-2.3 26,-1.8 1,-0.2 2,-0.3 0.745 75.7 4.3 -84.8 -26.0 10.2 46.6 18.3 742 94 D A E -ef 716 767G 0 -27,-1.3 -25,-3.0 24,-0.2 2,-0.3 -0.965 62.7-146.0-153.1 165.0 6.8 45.2 19.2 743 95 D I E -ef 717 768G 0 24,-1.9 26,-2.8 -2,-0.3 2,-0.5 -0.989 16.7-129.3-138.7 144.7 5.2 42.3 21.0 744 96 D I E - f 0 769G 3 -27,-2.2 -23,-1.9 -2,-0.3 2,-0.4 -0.845 27.8-169.9 -97.9 130.0 1.9 40.4 20.3 745 97 D V E -ef 721 770G 0 24,-3.2 26,-3.1 -2,-0.5 2,-0.2 -0.949 21.3-122.6-124.0 138.7 -0.4 40.0 23.3 746 98 D H E - f 0 771G 3 -25,-2.4 26,-0.1 -2,-0.4 -23,-0.1 -0.526 12.5-160.6 -75.0 143.1 -3.5 37.9 23.8 747 99 D G S > S+ 0 0 0 24,-1.4 3,-2.2 -2,-0.2 7,-0.1 0.706 75.6 83.2 -95.9 -21.8 -6.7 39.8 24.7 748 100 D F T 3 S+ 0 0 6 23,-0.3 -183,-0.6 1,-0.3 -184,-0.4 0.806 80.8 64.6 -52.4 -36.4 -8.6 36.8 26.2 749 101 D P T 3 S- 0 0 0 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.579 112.8-105.9 -68.0 -6.7 -6.9 37.1 29.6 750 102 D G <> - 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