==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-SEP-08 3EHE . COMPND 2 MOLECULE: UDP-GLUCOSE 4-EPIMERASE (GALE-1); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 580 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 44 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 1 1 1 0 1 1 5 1 0 1 0 0 2 0 1 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 8 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 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 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 L 0 0 58 0, 0.0 62,-3.0 0, 0.0 63,-1.0 0.000 360.0 360.0 360.0 105.9 33.5 3.8 44.8 2 4 A I E -ab 25 64A 8 22,-2.6 24,-2.2 60,-0.2 2,-0.4 -0.947 360.0-146.6-122.8 139.2 34.7 4.7 41.4 3 5 A V E -ab 26 65A 0 61,-2.6 63,-3.1 -2,-0.4 2,-0.5 -0.877 10.3-165.1-103.9 132.7 37.2 7.3 40.3 4 6 A V E > -ab 27 66A 0 22,-2.9 24,-1.4 -2,-0.4 3,-1.2 -0.918 4.3-159.5-122.2 105.0 36.7 9.0 36.9 5 7 A T E 3 S+ab 28 67A 0 61,-1.9 63,-1.4 -2,-0.5 24,-0.2 -0.609 86.6 20.3 -76.9 143.5 39.7 11.0 35.6 6 8 A G T > S+ 0 0 8 22,-2.3 3,-1.8 -2,-0.2 6,-0.4 0.674 80.8 144.2 70.3 17.3 38.5 13.4 33.0 7 9 A G T < + 0 0 0 -3,-1.2 9,-0.2 21,-0.4 -2,-0.1 0.470 63.5 60.8 -68.1 -2.2 34.9 13.2 34.3 8 10 A A T 3 S+ 0 0 0 20,-0.2 27,-2.7 31,-0.1 -1,-0.3 0.247 93.9 80.2-105.8 7.6 34.3 16.9 33.6 9 11 A G S <> S- 0 0 16 -3,-1.8 4,-2.9 25,-0.2 5,-0.3 -0.394 99.2 -79.5-103.1-174.5 34.8 16.5 29.9 10 12 A F H > S+ 0 0 34 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.964 124.8 23.0 -50.4 -77.6 32.6 15.3 27.1 11 13 A I H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.916 124.6 55.2 -60.5 -43.7 32.8 11.5 27.4 12 14 A G H > S+ 0 0 1 -6,-0.4 4,-2.6 1,-0.2 -5,-0.2 0.901 104.1 51.4 -57.5 -45.6 33.8 11.6 31.0 13 15 A S H X S+ 0 0 0 -4,-2.9 4,-1.8 -7,-0.3 27,-0.2 0.801 110.2 51.1 -63.5 -29.2 30.9 13.7 32.2 14 16 A H H X S+ 0 0 39 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.2 0.862 108.3 51.1 -74.2 -38.4 28.5 11.2 30.5 15 17 A V H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.934 109.5 51.5 -62.6 -45.8 30.2 8.3 32.2 16 18 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.917 106.3 53.9 -58.0 -45.1 29.8 10.1 35.5 17 19 A D H < S+ 0 0 45 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.889 113.3 42.9 -57.5 -41.1 26.1 10.7 34.9 18 20 A K H < S+ 0 0 98 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.881 119.8 40.5 -73.6 -40.4 25.5 6.9 34.3 19 21 A L H >X S+ 0 0 11 -4,-2.6 3,-2.1 1,-0.2 4,-0.8 0.829 101.5 69.0 -78.3 -34.8 27.7 5.7 37.2 20 22 A S T 3< S+ 0 0 16 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.1 0.707 84.9 74.8 -57.3 -21.2 26.6 8.3 39.8 21 23 A E T 34 S+ 0 0 154 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.683 120.8 4.6 -67.0 -20.0 23.2 6.6 39.8 22 24 A S T <4 S+ 0 0 97 -3,-2.1 2,-0.3 1,-0.1 -1,-0.2 0.182 122.5 63.3-152.5 21.7 24.6 3.6 41.8 23 25 A N S < S- 0 0 62 -4,-0.8 2,-0.6 -3,-0.1 -1,-0.1 -0.985 79.3-111.2-147.1 153.0 28.2 4.4 42.7 24 26 A E - 0 0 113 -2,-0.3 -22,-2.6 -3,-0.1 2,-0.5 -0.786 44.1-153.3 -84.7 123.1 30.0 6.9 44.8 25 27 A I E -ac 2 43A 1 -2,-0.6 19,-2.6 17,-0.5 2,-0.5 -0.880 20.5-175.6-111.6 131.8 31.9 9.0 42.2 26 28 A V E -ac 3 44A 18 -24,-2.2 -22,-2.9 -2,-0.5 2,-0.4 -0.985 13.9-159.4-118.9 126.5 35.1 10.9 42.6 27 29 A V E -ac 4 45A 0 17,-3.4 19,-3.5 -2,-0.5 2,-0.5 -0.911 6.1-161.6-112.3 135.0 36.3 12.9 39.6 28 30 A I E +ac 5 46A 1 -24,-1.4 -22,-2.3 -2,-0.4 -21,-0.4 -0.967 29.5 145.3-115.7 118.7 39.8 14.1 39.0 29 31 A D - 0 0 15 17,-2.5 19,-0.4 -2,-0.5 20,-0.1 -0.979 44.3-157.5-157.0 141.3 40.1 16.9 36.5 30 32 A N - 0 0 62 -2,-0.3 19,-0.1 17,-0.2 17,-0.1 0.338 43.8-128.8 -99.6 5.4 42.3 20.0 36.0 31 33 A L + 0 0 46 17,-0.1 5,-0.1 1,-0.1 18,-0.1 0.750 60.9 143.1 53.9 30.0 39.6 21.5 33.8 32 34 A S S S- 0 0 84 1,-0.2 -1,-0.1 3,-0.0 17,-0.0 0.849 92.1 -3.3 -66.8 -33.9 42.1 22.2 31.0 33 35 A S S S+ 0 0 80 38,-0.0 2,-0.2 2,-0.0 -1,-0.2 0.109 122.5 90.4-143.1 18.4 39.4 21.4 28.4 34 36 A G - 0 0 21 -25,-0.1 2,-0.4 -24,-0.0 -25,-0.2 -0.624 65.6-132.6-112.1 173.8 36.6 20.3 30.6 35 37 A N > - 0 0 54 -27,-2.7 3,-2.5 -2,-0.2 4,-0.5 -0.966 4.2-150.9-131.3 115.5 33.7 22.2 32.3 36 38 A E G > S+ 0 0 101 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.772 95.6 69.1 -57.4 -24.5 32.9 21.7 36.0 37 39 A E G 3 S+ 0 0 161 1,-0.3 -1,-0.3 -29,-0.1 4,-0.1 0.726 91.1 62.4 -65.2 -20.7 29.2 22.5 35.2 38 40 A F G < S+ 0 0 55 -3,-2.5 2,-0.3 -30,-0.3 -1,-0.3 0.741 81.6 102.5 -76.7 -21.7 29.1 19.2 33.3 39 41 A V S < S- 0 0 20 -3,-1.2 -31,-0.1 -4,-0.5 6,-0.1 -0.462 81.1-114.1 -71.1 126.4 29.9 17.2 36.5 40 42 A N > - 0 0 39 -2,-0.3 3,-1.5 -27,-0.2 -1,-0.1 -0.205 19.6-129.7 -54.0 141.1 26.9 15.4 38.1 41 43 A E T 3 S+ 0 0 197 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.710 104.3 69.6 -70.9 -15.7 26.2 17.0 41.6 42 44 A A T 3 S+ 0 0 66 2,-0.1 -17,-0.5 -25,-0.0 2,-0.3 0.527 93.7 76.2 -77.6 -3.1 26.2 13.5 43.1 43 45 A A E < S-c 25 0A 14 -3,-1.5 2,-0.5 -19,-0.1 -17,-0.2 -0.745 79.9-122.8-111.5 157.4 29.9 13.3 42.5 44 46 A R E -c 26 0A 167 -19,-2.6 -17,-3.4 -2,-0.3 2,-0.6 -0.846 23.1-147.3 -98.1 126.6 33.0 14.9 44.2 45 47 A L E -c 27 0A 51 -2,-0.5 2,-0.6 -19,-0.2 -17,-0.2 -0.845 12.1-171.9-100.6 120.0 35.2 17.0 42.0 46 48 A V E -c 28 0A 24 -19,-3.5 -17,-2.5 -2,-0.6 2,-1.2 -0.943 16.0-147.1-108.9 116.8 38.9 17.1 42.7 47 49 A K + 0 0 120 -2,-0.6 2,-0.3 -19,-0.2 -17,-0.2 -0.731 44.7 136.4 -88.3 98.4 40.8 19.7 40.7 48 50 A A - 0 0 5 -2,-1.2 2,-0.7 -19,-0.4 -17,-0.1 -0.982 54.5-122.4-143.8 152.3 44.1 18.1 40.1 49 51 A D >> - 0 0 30 -2,-0.3 4,-3.1 1,-0.1 3,-1.7 -0.867 15.7-152.4 -98.4 113.5 46.6 17.6 37.3 50 52 A L T 34 S+ 0 0 12 -2,-0.7 -1,-0.1 1,-0.3 5,-0.1 0.707 94.2 53.4 -56.9 -23.2 47.4 13.9 36.7 51 53 A A T 34 S+ 0 0 8 43,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.532 125.9 15.9 -92.5 -7.3 50.8 14.8 35.3 52 54 A A T <4 S+ 0 0 57 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.590 106.4 75.4-137.6 -24.9 52.0 16.9 38.3 53 55 A D S < S- 0 0 75 -4,-3.1 2,-0.3 1,-0.0 -1,-0.1 -0.732 77.5-114.7 -99.5 146.2 49.9 16.4 41.4 54 56 A D + 0 0 81 -2,-0.3 -3,-0.1 1,-0.1 41,-0.1 -0.602 36.7 172.1 -75.6 133.1 50.0 13.4 43.8 55 57 A I >> + 0 0 3 -2,-0.3 3,-1.6 39,-0.2 4,-0.9 0.394 43.6 105.2-124.3 0.6 46.6 11.7 43.6 56 58 A K H >> S+ 0 0 72 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.839 81.0 57.4 -53.5 -34.8 47.0 8.5 45.6 57 59 A D H 34 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.762 103.8 52.4 -68.3 -24.4 45.0 10.0 48.5 58 60 A Y H <4 S+ 0 0 107 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.660 107.8 52.6 -84.1 -15.6 42.0 10.6 46.1 59 61 A L H X< S+ 0 0 0 -4,-0.9 3,-2.6 -3,-0.6 -2,-0.2 0.531 77.8 132.5 -93.9 -9.0 42.2 7.0 45.0 60 62 A K T 3< S- 0 0 154 -4,-0.6 3,-0.1 1,-0.3 43,-0.1 -0.191 83.2 -0.9 -47.6 119.6 42.0 5.7 48.6 61 63 A G T 3 S+ 0 0 56 41,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.355 93.5 147.2 80.6 -7.2 39.4 2.9 48.8 62 64 A A < - 0 0 9 -3,-2.6 -1,-0.3 1,-0.1 -60,-0.2 -0.337 34.9-163.5 -63.6 140.5 38.5 3.2 45.1 63 65 A E S S+ 0 0 107 -62,-3.0 2,-0.3 1,-0.3 42,-0.3 0.720 71.2 12.9 -96.0 -25.1 37.5 -0.1 43.5 64 66 A E E -b 2 0A 8 -63,-1.0 -61,-2.6 41,-0.1 2,-0.4 -0.997 59.3-148.5-153.4 150.9 37.8 1.0 39.9 65 67 A V E -bd 3 107A 0 41,-2.2 43,-2.7 -2,-0.3 2,-0.8 -0.987 3.3-159.7-124.3 127.8 39.3 3.8 37.9 66 68 A W E -bd 4 108A 2 -63,-3.1 -61,-1.9 -2,-0.4 2,-1.2 -0.933 15.6-158.0-105.6 104.3 37.8 5.0 34.6 67 69 A H E +bd 5 109A 1 41,-3.0 43,-1.6 -2,-0.8 -61,-0.1 -0.737 37.7 142.0 -88.8 95.0 40.8 6.8 33.0 68 70 A I + 0 0 20 -63,-1.4 -62,-0.2 -2,-1.2 -1,-0.2 0.558 34.0 111.0-108.9 -15.7 39.1 9.1 30.5 69 71 A A + 0 0 23 -3,-0.2 2,-0.3 -64,-0.1 41,-0.1 -0.340 37.6 129.5 -67.2 142.1 41.4 12.2 30.9 70 72 A A - 0 0 28 -2,-0.1 18,-0.2 21,-0.0 14,-0.1 -0.959 58.0 -75.3-179.0 165.7 43.7 13.2 28.1 71 73 A N - 0 0 11 -2,-0.3 2,-0.3 13,-0.2 13,-0.0 -0.288 60.8 -95.3 -66.6 152.5 45.0 16.0 25.9 72 74 A P - 0 0 59 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.603 36.5-127.8 -75.2 135.9 42.6 17.0 23.1 73 75 A D - 0 0 74 -2,-0.3 2,-0.3 -3,-0.1 6,-0.0 -0.754 38.4-179.0 -84.1 118.2 43.5 15.2 19.9 74 76 A V 0 0 60 -2,-0.7 62,-0.1 1,-0.2 5,-0.1 -0.786 360.0 360.0-120.0 163.3 43.9 17.9 17.2 75 77 A R 0 0 193 -2,-0.3 -1,-0.2 3,-0.1 0, 0.0 0.506 360.0 360.0 -75.8 360.0 44.6 18.1 13.5 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 79 A G 0 0 81 0, 0.0 2,-1.0 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -99.7 48.8 19.4 12.0 78 80 A A + 0 0 69 2,-0.1 2,-0.3 0, 0.0 -3,-0.1 -0.403 360.0 141.2 -93.8 57.5 49.0 22.0 14.7 79 81 A E - 0 0 36 -2,-1.0 -6,-0.1 -5,-0.1 -4,-0.0 -0.700 47.1-136.3-100.3 153.0 49.7 19.6 17.5 80 82 A N > - 0 0 71 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.925 5.0-157.3-111.9 111.6 52.1 20.1 20.5 81 83 A P H > S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.901 90.8 55.2 -52.3 -46.7 54.3 17.1 21.3 82 84 A D H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 108.9 44.9 -57.6 -45.3 54.9 18.2 24.9 83 85 A E H > S+ 0 0 75 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 114.0 49.9 -69.7 -34.3 51.2 18.5 25.9 84 86 A I H X>S+ 0 0 7 -4,-1.9 4,-1.5 2,-0.2 5,-0.8 0.933 114.3 45.2 -66.5 -44.6 50.4 15.2 24.2 85 87 A Y H X>S+ 0 0 15 -4,-2.8 5,-2.4 -5,-0.2 4,-0.6 0.953 117.3 44.8 -61.2 -49.9 53.3 13.5 26.1 86 88 A R H <>S+ 0 0 76 -4,-2.7 5,-2.0 -5,-0.2 -2,-0.2 0.944 119.6 37.5 -59.2 -56.4 52.4 15.1 29.4 87 89 A N H <5S+ 0 0 24 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.607 129.8 28.2 -79.0 -12.7 48.6 14.6 29.4 88 90 A N H X5S+ 0 0 1 -4,-1.5 4,-1.3 -5,-0.2 -3,-0.2 0.789 129.9 24.8-110.1 -63.3 48.6 11.1 27.8 89 91 A V H XS+ 0 0 0 -4,-2.9 5,-1.9 2,-0.2 4,-1.5 0.906 110.8 51.8 -62.1 -43.2 46.8 3.0 41.6 100 102 A R H <5S+ 0 0 89 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.954 113.3 42.9 -58.0 -53.7 49.6 0.6 42.6 101 103 A K H <5S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.850 118.1 45.9 -61.9 -37.5 50.4 2.5 45.8 102 104 A A H <5S- 0 0 29 -4,-2.3 -41,-0.5 -5,-0.2 -1,-0.2 0.621 111.4-116.9 -84.1 -14.0 46.7 2.9 46.7 103 105 A G T <5 + 0 0 56 -4,-1.5 2,-0.6 -3,-0.5 -3,-0.2 0.648 59.5 150.3 88.8 14.0 45.7 -0.7 45.9 104 106 A V < + 0 0 2 -5,-1.9 -1,-0.3 -6,-0.2 -41,-0.1 -0.723 16.4 175.7 -83.8 122.9 43.3 0.1 43.0 105 107 A S + 0 0 50 -2,-0.6 52,-2.2 -42,-0.3 2,-0.4 0.111 49.4 77.3-118.0 22.7 43.3 -2.9 40.6 106 108 A R E + e 0 157A 75 50,-0.2 -41,-2.2 -43,-0.0 2,-0.4 -0.995 50.3 174.6-134.9 127.9 40.7 -2.1 38.0 107 109 A I E -de 65 158A 0 50,-1.9 52,-1.8 -2,-0.4 2,-0.5 -0.996 16.6-165.6-139.0 132.0 41.1 0.4 35.1 108 110 A V E -de 66 159A 0 -43,-2.7 -41,-3.0 -2,-0.4 2,-0.4 -0.976 23.0-167.4-112.8 125.8 38.8 1.2 32.2 109 111 A F E -de 67 160A 0 50,-2.7 52,-2.6 -2,-0.5 2,-0.8 -0.951 22.6-144.3-125.5 138.0 40.7 3.2 29.6 110 112 A T E + e 0 161A 10 -43,-1.6 52,-0.2 -2,-0.4 50,-0.1 -0.860 32.5 165.2 -98.1 105.7 39.7 5.2 26.5 111 113 A S - 0 0 8 50,-2.8 2,-0.3 -2,-0.8 51,-0.1 0.361 30.4-107.4 -89.7-133.0 42.4 4.6 23.9 112 114 A T > - 0 0 12 25,-0.1 3,-1.3 50,-0.1 52,-0.2 -0.982 11.7-116.9-165.6 153.7 41.8 5.6 20.2 113 115 A S G > S+ 0 0 11 50,-1.9 3,-1.4 -2,-0.3 51,-0.2 0.752 104.3 74.3 -62.6 -25.7 41.2 4.2 16.7 114 116 A T G > + 0 0 46 49,-0.3 3,-0.9 1,-0.3 19,-0.4 0.385 67.6 86.9 -75.9 7.3 44.5 5.7 15.5 115 117 A V G < S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.733 84.6 61.4 -72.9 -20.2 46.6 3.1 17.3 116 118 A Y G < S- 0 0 7 -3,-1.4 15,-0.3 14,-0.2 -1,-0.2 0.549 87.7-170.2 -81.2 -8.4 46.2 1.0 14.1 117 119 A G < - 0 0 25 -3,-0.9 2,-2.4 1,-0.2 -1,-0.2 -0.174 64.2 -0.1 53.9-143.0 47.9 3.6 11.9 118 120 A E S S- 0 0 128 13,-0.6 -1,-0.2 -4,-0.1 -4,-0.0 -0.446 85.3-169.2 -78.6 69.4 47.6 3.1 8.2 119 121 A A - 0 0 24 -2,-2.4 -2,-0.1 1,-0.1 5,-0.0 -0.297 17.2-157.5 -60.7 141.6 45.5 -0.1 8.5 120 122 A K S S+ 0 0 182 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.341 74.4 64.1-105.5 6.8 45.1 -2.1 5.2 121 123 A V S S- 0 0 65 4,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.993 77.6-138.5-132.5 124.0 42.0 -4.0 6.2 122 124 A I S S+ 0 0 98 -2,-0.4 2,-0.1 1,-0.2 137,-0.1 -0.993 89.1 42.6-128.8 133.5 38.7 -2.2 7.0 123 125 A P S S- 0 0 70 0, 0.0 136,-0.3 0, 0.0 -1,-0.2 0.501 98.3-140.2 -66.5 139.0 36.7 -2.7 9.1 124 126 A T B -g 259 0B 2 134,-2.6 136,-2.4 -2,-0.1 -2,-0.1 -0.635 12.1-144.6 -81.3 119.6 39.8 -3.1 11.3 125 127 A P > - 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0 0 130 -2,-0.3 2,-0.2 -63,-0.0 -41,-0.1 -0.980 32.4-115.8-147.2 131.7 73.4 -14.9 9.1 564 284 B P - 0 0 19 0, 0.0 -41,-0.1 0, 0.0 -64,-0.0 -0.494 16.9-148.6 -69.8 139.5 74.8 -15.1 12.7 565 285 B R S S+ 0 0 183 -2,-0.2 2,-0.3 -68,-0.1 -43,-0.0 0.855 77.2 49.3 -73.7 -36.6 78.3 -16.4 12.7 566 286 B Y - 0 0 68 -69,-0.1 -43,-0.3 4,-0.0 -69,-0.2 -0.833 68.4-145.6-113.2 144.6 78.0 -18.1 16.1 567 287 B N > - 0 0 49 -2,-0.3 4,-2.3 -45,-0.1 5,-0.2 -0.344 44.6 -89.1 -90.0-179.8 75.4 -20.5 17.7 568 288 B S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.883 125.6 50.9 -60.6 -43.0 74.5 -20.4 21.4 569 289 B E H > S+ 0 0 78 1,-0.2 4,-2.6 -44,-0.2 -1,-0.2 0.915 112.5 47.7 -62.0 -42.0 77.2 -22.8 22.6 570 290 B E H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.902 110.9 50.0 -66.1 -41.8 79.8 -20.8 20.7 571 291 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.920 113.3 47.6 -63.2 -42.5 78.6 -17.4 22.1 572 292 B V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.944 110.9 49.5 -64.1 -49.0 78.6 -18.9 25.6 573 293 B R H X S+ 0 0 55 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.934 116.1 42.8 -58.0 -45.8 82.1 -20.4 25.4 574 294 B M H X S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.893 112.1 54.4 -67.5 -39.8 83.6 -17.1 24.0 575 295 B A H X S+ 0 0 7 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.887 103.9 54.9 -62.2 -40.5 81.7 -15.0 26.5 576 296 B V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.947 111.0 43.8 -59.2 -50.3 83.0 -17.0 29.5 577 297 B R H X S+ 0 0 120 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.886 112.2 55.2 -62.2 -38.0 86.6 -16.4 28.5 578 298 B D H X S+ 0 0 33 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.930 109.7 46.1 -59.6 -46.3 85.7 -12.8 27.8 579 299 B L H X S+ 0 0 11 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.920 107.8 54.8 -65.0 -44.8 84.4 -12.4 31.3 580 300 B V H X S+ 0 0 54 -4,-2.4 4,-0.5 1,-0.3 -1,-0.2 0.935 114.9 41.5 -52.7 -46.8 87.3 -14.1 33.1 581 301 B E H >X S+ 0 0 142 -4,-2.0 4,-1.2 1,-0.2 3,-0.5 0.818 111.7 56.9 -71.3 -31.2 89.6 -11.6 31.3 582 302 B D H 3< S+ 0 0 32 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.912 98.9 58.6 -65.6 -43.5 87.1 -8.8 32.0 583 303 B L H 3< S+ 0 0 61 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.723 103.8 54.7 -58.8 -21.9 87.2 -9.3 35.7 584 304 B D H << 0 0 135 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.863 360.0 360.0 -79.8 -38.9 91.0 -8.7 35.6 585 305 B E < 0 0 122 -4,-1.2 0, 0.0 -3,-0.4 0, 0.0 -0.355 360.0 360.0 -79.9 360.0 90.7 -5.3 33.9