==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-MAR-07 2P5U . COMPND 2 MOLECULE: UDP-GLUCOSE 4-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB8; . AUTHOR Z-Q.FU,L.CHEN,A.EBIHARA,A.SHINKAI,S.KURAMITSU,S.YOKOYAMA, . 1244 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 869 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 182 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 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 . 1 0.1 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 . 99 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 413 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 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 7 1 4 0 4 0 2 4 14 3 5 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 5 12 7 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 4 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 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 M 0 0 77 0, 0.0 25,-0.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 121.1 37.4 109.2 126.4 2 2 A R E -a 26 0A 85 23,-0.1 66,-2.2 64,-0.1 67,-2.1 -0.951 360.0-160.8-126.9 110.3 33.9 110.0 125.1 3 3 A V E -ab 27 69A 0 23,-2.5 25,-2.2 -2,-0.5 2,-0.6 -0.815 3.8-163.5 -98.5 120.9 32.5 107.6 122.5 4 4 A L E -ab 28 70A 0 65,-2.4 67,-2.8 -2,-0.6 2,-0.7 -0.898 9.6-159.4-100.0 122.2 29.7 108.7 120.2 5 5 A V E > -ab 29 71A 0 23,-3.0 25,-2.0 -2,-0.6 3,-1.1 -0.899 2.0-155.7-106.5 110.5 28.1 105.7 118.5 6 6 A T E 3 S+ab 30 72A 0 65,-2.8 67,-1.4 -2,-0.7 25,-0.2 -0.627 86.4 20.3 -81.3 144.2 26.1 106.4 115.3 7 7 A G T > S+ 0 0 8 23,-2.7 3,-1.9 -2,-0.3 6,-0.4 0.737 82.7 145.5 70.3 19.5 23.4 103.9 114.7 8 8 A G T < + 0 0 0 -3,-1.1 9,-0.2 22,-0.6 -2,-0.1 0.613 62.7 61.9 -65.7 -13.3 23.7 103.0 118.3 9 9 A A T 3 S+ 0 0 0 21,-0.2 28,-2.0 -4,-0.1 -1,-0.3 0.339 95.6 86.8 -93.5 6.7 19.9 102.3 118.4 10 10 A G S <> S- 0 0 13 -3,-1.9 4,-1.8 26,-0.2 5,-0.2 -0.153 95.5 -84.4 -94.5-169.3 20.5 99.5 115.9 11 11 A F H > S+ 0 0 34 2,-0.2 4,-1.2 3,-0.1 3,-0.2 0.996 123.2 23.4 -59.0 -77.0 21.4 95.8 116.0 12 12 A I H >> S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.923 122.2 58.4 -59.8 -45.7 25.2 95.8 116.2 13 13 A G H 3> S+ 0 0 2 -6,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.868 101.9 53.1 -52.8 -42.6 25.3 99.4 117.6 14 14 A S H 3X S+ 0 0 3 -4,-1.8 4,-2.2 -7,-0.2 -1,-0.2 0.856 108.9 50.0 -64.4 -34.6 23.2 98.5 120.7 15 15 A H H <>S+ 0 0 0 -4,-3.0 5,-2.2 1,-0.2 3,-0.6 0.897 112.2 52.6 -59.8 -41.1 31.2 100.1 126.1 21 21 A L H ><5S+ 0 0 62 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.906 105.3 54.2 -61.4 -42.5 28.9 100.7 129.1 22 22 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.727 104.9 54.9 -65.5 -21.1 30.1 97.5 130.8 23 23 A R T <<5S- 0 0 92 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.308 118.3-115.3 -91.8 6.4 33.7 98.8 130.4 24 24 A G T < 5 + 0 0 68 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.691 64.7 148.1 70.1 19.5 32.6 102.0 132.2 25 25 A L < - 0 0 39 -5,-2.2 2,-0.5 1,-0.1 -1,-0.2 -0.493 55.0-107.3 -86.8 157.0 33.2 104.3 129.3 26 26 A E E -a 2 0A 114 -25,-0.8 -23,-2.5 -2,-0.2 2,-0.3 -0.725 47.3-177.9 -83.3 126.5 31.2 107.4 128.6 27 27 A V E -a 3 0A 6 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.946 17.8-176.5-131.6 149.0 28.9 106.8 125.6 28 28 A A E -a 4 0A 0 -25,-2.2 -23,-3.0 -2,-0.3 2,-0.4 -0.934 16.7-139.8-136.1 158.9 26.4 108.7 123.5 29 29 A V E -ac 5 47A 0 17,-2.2 19,-3.1 -2,-0.3 2,-0.5 -0.983 10.0-169.4-129.3 135.8 24.2 107.6 120.6 30 30 A L E +ac 6 48A 2 -25,-2.0 -23,-2.7 -2,-0.4 -22,-0.6 -0.990 28.7 145.0-121.1 119.4 23.2 109.4 117.4 31 31 A D - 0 0 10 17,-2.1 19,-0.2 -2,-0.5 20,-0.1 -0.970 45.0-153.1-159.1 138.7 20.4 107.7 115.5 32 32 A N - 0 0 47 -2,-0.3 19,-0.1 17,-0.2 17,-0.1 0.364 45.7-124.6 -93.9 5.0 17.5 108.8 113.3 33 33 A L + 0 0 40 17,-0.1 5,-0.1 1,-0.1 18,-0.1 0.810 62.2 144.7 55.7 36.6 15.6 105.6 114.2 34 34 A A S S- 0 0 74 1,-0.1 -1,-0.1 3,-0.1 17,-0.0 0.893 92.5 -11.0 -69.0 -38.9 15.1 104.6 110.6 35 35 A T S S+ 0 0 106 2,-0.0 -1,-0.1 144,-0.0 2,-0.1 0.451 123.9 84.4-134.3 -14.9 15.4 101.0 111.5 36 36 A G - 0 0 9 -26,-0.1 2,-0.4 2,-0.0 -26,-0.2 -0.300 69.3-127.9 -86.3 173.1 16.6 101.1 115.1 37 37 A K > - 0 0 101 -28,-2.0 3,-2.0 1,-0.1 4,-0.4 -0.975 11.2-134.9-127.5 140.6 14.5 101.5 118.3 38 38 A R G > S+ 0 0 106 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.800 105.7 68.3 -58.5 -27.5 14.8 104.0 121.1 39 39 A E G 3 S+ 0 0 145 1,-0.3 -1,-0.3 -30,-0.1 4,-0.1 0.754 88.1 66.5 -62.4 -26.4 14.2 101.0 123.4 40 40 A N G < S+ 0 0 35 -3,-2.0 -1,-0.3 -31,-0.2 -2,-0.2 0.707 87.5 77.7 -69.6 -20.4 17.7 99.8 122.4 41 41 A V S < S- 0 0 8 -3,-1.5 4,-0.1 -4,-0.4 -1,-0.1 -0.829 86.8-125.2 -96.7 114.0 19.4 102.8 124.0 42 42 A P > - 0 0 50 0, 0.0 3,-0.6 0, 0.0 -2,-0.1 -0.135 22.1-111.0 -55.6 149.3 19.6 102.4 127.9 43 43 A K T 3 S+ 0 0 208 1,-0.3 2,-1.3 -4,-0.1 -2,-0.0 0.837 111.7 61.9 -50.4 -44.8 18.2 105.2 130.1 44 44 A G T 3 S+ 0 0 76 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 -0.165 89.6 91.4 -81.5 47.3 21.6 106.4 131.3 45 45 A V S < S- 0 0 7 -2,-1.3 -17,-0.1 -3,-0.6 -19,-0.0 -0.926 77.3-121.8-145.7 117.6 22.7 107.4 127.8 46 46 A P - 0 0 63 0, 0.0 -17,-2.2 0, 0.0 2,-0.5 -0.311 31.7-156.9 -58.2 132.4 22.4 110.7 126.0 47 47 A F E -c 29 0A 42 -19,-0.2 2,-0.7 -6,-0.1 -17,-0.2 -0.965 12.8-164.8-121.4 126.6 20.5 110.2 122.8 48 48 A F E -c 30 0A 11 -19,-3.1 -17,-2.1 -2,-0.5 2,-1.7 -0.915 7.9-158.2-111.5 104.7 20.6 112.5 119.7 49 49 A R + 0 0 153 -2,-0.7 2,-0.3 -19,-0.2 -17,-0.2 -0.620 45.6 129.2 -83.7 83.1 17.7 111.8 117.3 50 50 A V - 0 0 8 -2,-1.7 2,-0.4 -19,-0.2 -17,-0.1 -0.974 57.4-122.3-139.0 152.5 19.3 113.3 114.2 51 51 A D > - 0 0 35 -2,-0.3 3,-2.5 1,-0.1 7,-0.2 -0.799 18.9-135.2 -94.3 133.7 19.9 112.1 110.6 52 52 A L T 3 S+ 0 0 12 -2,-0.4 -1,-0.1 1,-0.3 47,-0.1 0.716 106.7 64.1 -59.4 -20.8 23.5 112.1 109.4 53 53 A R T 3 S+ 0 0 85 1,-0.1 2,-1.0 46,-0.1 -1,-0.3 0.586 85.9 83.6 -78.3 -9.9 22.3 113.8 106.2 54 54 A D <> - 0 0 58 -3,-2.5 4,-1.9 1,-0.2 3,-0.3 -0.797 63.3-170.8 -97.5 93.7 21.3 116.7 108.4 55 55 A K H > S+ 0 0 116 -2,-1.0 4,-2.1 1,-0.2 5,-0.2 0.861 83.6 52.0 -52.0 -45.1 24.5 118.8 108.8 56 56 A E H > S+ 0 0 152 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 109.8 50.5 -62.4 -39.5 23.1 121.1 111.4 57 57 A G H > S+ 0 0 3 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.868 109.8 48.9 -67.2 -37.1 21.9 118.2 113.5 58 58 A V H X S+ 0 0 3 -4,-1.9 4,-2.1 -7,-0.2 -1,-0.2 0.889 110.5 51.3 -69.8 -38.2 25.3 116.5 113.4 59 59 A E H X S+ 0 0 44 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.873 109.1 50.1 -67.3 -37.3 27.1 119.6 114.4 60 60 A R H X S+ 0 0 92 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.906 109.1 52.5 -68.6 -38.6 24.8 120.2 117.4 61 61 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.3 0.924 111.8 45.3 -61.3 -45.8 25.3 116.6 118.6 62 62 A F H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.899 111.5 53.5 -64.3 -41.1 29.1 117.0 118.5 63 63 A R H < S+ 0 0 142 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 113.8 41.3 -62.0 -40.4 28.9 120.4 120.2 64 64 A E H < S+ 0 0 133 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.816 128.1 28.7 -79.2 -32.9 26.9 119.0 123.1 65 65 A F H < S- 0 0 19 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.742 81.8-155.5-100.5 -26.9 28.8 115.7 123.6 66 66 A R < - 0 0 134 -4,-3.1 -3,-0.1 -5,-0.3 -4,-0.1 0.953 21.2-155.4 49.3 62.6 32.3 116.6 122.4 67 67 A P - 0 0 6 0, 0.0 -64,-0.2 0, 0.0 -1,-0.1 -0.356 24.4-166.1 -71.1 147.7 33.3 113.0 121.4 68 68 A T S S+ 0 0 24 -66,-2.2 42,-2.6 1,-0.3 43,-1.1 0.667 82.3 31.1 -99.8 -28.3 37.0 112.0 121.3 69 69 A H E -bd 3 111A 14 -67,-2.1 -65,-2.4 41,-0.2 2,-0.5 -0.977 69.5-156.5-131.5 144.6 36.1 108.8 119.5 70 70 A V E -bd 4 112A 0 41,-2.3 43,-2.6 -2,-0.4 2,-0.7 -0.986 3.1-161.8-126.4 127.1 33.4 108.0 117.0 71 71 A S E -bd 5 113A 0 -67,-2.8 -65,-2.8 -2,-0.5 2,-0.9 -0.947 15.7-154.9-105.0 113.1 32.0 104.5 116.3 72 72 A H E +bd 6 114A 2 41,-2.8 43,-1.6 -2,-0.7 -65,-0.1 -0.777 40.1 138.8 -97.6 97.3 30.2 104.7 112.9 73 73 A Q + 0 0 27 -67,-1.4 2,-0.2 -2,-0.9 -66,-0.2 0.458 37.9 110.0-111.4 -8.4 27.5 102.0 112.7 74 74 A A + 0 0 22 -3,-0.2 2,-0.3 -44,-0.1 41,-0.1 -0.508 43.9 113.0 -74.2 138.1 24.8 104.1 111.1 75 75 A A S S- 0 0 35 -2,-0.2 2,-1.1 2,-0.0 14,-0.1 -0.964 75.6 -79.4 176.3 169.1 24.0 103.2 107.5 76 76 A Q - 0 0 23 13,-0.3 2,-1.0 -2,-0.3 17,-0.1 -0.829 50.4-166.6 -87.3 103.9 21.6 101.8 104.9 77 77 A A + 0 0 69 -2,-1.1 106,-0.2 4,-0.0 2,-0.2 -0.589 45.6 93.1 -97.0 68.5 22.3 98.2 105.7 78 78 A S > - 0 0 15 -2,-1.0 4,-2.3 104,-0.1 5,-0.2 -0.752 50.4-162.0-164.9 115.5 20.8 96.2 102.9 79 79 A V H > S+ 0 0 6 -2,-0.2 4,-1.9 2,-0.2 64,-0.2 0.935 99.3 50.2 -58.2 -48.5 22.2 95.0 99.6 80 80 A K H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 111.0 47.6 -57.3 -50.0 18.6 94.5 98.1 81 81 A V H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.888 110.2 53.6 -60.8 -38.3 17.5 98.1 99.1 82 82 A S H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 109.5 48.0 -66.9 -33.1 20.8 99.5 97.6 83 83 A V H < S+ 0 0 14 -4,-1.9 -1,-0.2 189,-0.2 -2,-0.2 0.887 117.5 41.3 -73.1 -39.2 20.1 97.7 94.3 84 84 A E H < S+ 0 0 128 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.833 133.1 22.1 -77.5 -30.3 16.5 99.0 94.2 85 85 A D X + 0 0 74 -4,-2.8 4,-1.6 -5,-0.2 3,-0.5 -0.592 64.6 166.3-139.3 75.2 17.3 102.5 95.5 86 86 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.830 78.3 58.3 -59.7 -33.2 21.0 103.4 94.8 87 87 A V H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 104.7 50.1 -65.8 -38.6 20.4 107.0 95.6 88 88 A L H > S+ 0 0 44 -3,-0.5 4,-1.8 2,-0.2 5,-0.3 0.902 111.2 48.6 -66.5 -39.8 19.1 106.3 99.1 89 89 A D H X S+ 0 0 0 -4,-1.6 4,-2.3 -8,-0.2 5,-0.4 0.920 113.5 47.9 -64.8 -43.2 22.2 104.1 99.8 90 90 A F H X>S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-1.7 0.935 108.9 53.4 -61.3 -50.2 24.5 106.8 98.6 91 91 A E H <>S+ 0 0 56 -4,-2.7 5,-2.2 3,-0.2 -1,-0.2 0.874 117.7 34.3 -56.4 -42.9 22.9 109.6 100.5 92 92 A V H <5S+ 0 0 22 -4,-1.8 5,-0.3 3,-0.2 -2,-0.2 0.944 126.2 36.6 -81.7 -47.5 23.1 107.9 103.9 93 93 A N H <5S+ 0 0 6 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.898 134.0 19.9 -74.2 -40.4 26.4 106.0 103.6 94 94 A L T X5S+ 0 0 2 -4,-2.5 4,-3.3 -5,-0.4 5,-0.2 0.931 132.0 36.3 -91.8 -63.6 28.4 108.6 101.5 95 95 A L H > S+ 0 0 0 -5,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.897 106.2 51.0 -65.3 -41.1 29.2 109.7 106.0 98 98 A L H X S+ 0 0 7 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.901 106.4 55.0 -64.1 -41.3 31.0 112.8 104.7 99 99 A N H X S+ 0 0 7 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.925 108.7 49.5 -57.8 -41.8 29.0 115.0 107.1 100 100 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.920 111.0 48.5 -63.3 -44.0 30.3 112.8 110.0 101 101 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.926 109.2 51.9 -62.2 -46.4 33.9 113.1 108.8 102 102 A E H X S+ 0 0 42 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.865 109.7 50.6 -58.0 -37.8 33.7 116.8 108.4 103 103 A A H X S+ 0 0 5 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.3 0.830 108.5 54.4 -69.9 -31.0 32.4 117.0 112.0 104 104 A C H <>S+ 0 0 0 -4,-1.6 5,-2.6 2,-0.2 -2,-0.2 0.940 111.3 40.3 -69.1 -48.9 35.3 114.8 113.1 105 105 A R H ><5S+ 0 0 89 -4,-2.3 3,-0.7 3,-0.2 -1,-0.2 0.849 115.1 55.3 -69.0 -30.9 38.1 116.9 111.8 106 106 A Q H 3<5S+ 0 0 124 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.872 115.9 35.9 -68.3 -37.9 36.3 120.1 112.8 107 107 A Y T 3<5S- 0 0 50 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.180 112.1-117.1-101.0 15.8 36.0 118.9 116.4 108 108 A G T < 5 - 0 0 57 -3,-0.7 -3,-0.2 1,-0.1 -4,-0.1 0.785 40.7-171.1 55.3 33.4 39.4 117.2 116.4 109 109 A V < - 0 0 11 -5,-2.6 55,-0.3 -6,-0.2 -40,-0.2 -0.245 16.0-144.2 -53.3 140.3 38.1 113.7 117.0 110 110 A E + 0 0 117 -42,-2.6 54,-1.7 1,-0.2 2,-0.3 0.982 69.5 2.2 -73.8 -59.1 40.9 111.2 117.7 111 111 A K E -de 69 164A 19 -43,-1.1 -41,-2.3 52,-0.1 2,-0.5 -0.967 53.6-154.5-135.2 148.8 39.8 108.0 116.0 112 112 A L E -de 70 165A 0 52,-1.8 54,-1.9 -2,-0.3 2,-0.6 -0.988 9.2-158.1-123.8 123.9 36.9 106.8 114.0 113 113 A V E -de 71 166A 0 -43,-2.6 -41,-2.8 -2,-0.5 2,-0.3 -0.918 18.2-156.4-103.1 118.9 35.9 103.1 114.0 114 114 A F E -de 72 167A 4 52,-3.3 54,-3.1 -2,-0.6 2,-0.8 -0.744 17.3-137.8-103.9 144.9 34.0 102.1 110.9 115 115 A A E + e 0 168A 9 -43,-1.6 2,-0.2 -2,-0.3 54,-0.2 -0.863 37.3 169.2 -96.0 104.8 31.5 99.3 110.2 116 116 A S E - e 0 169A 3 52,-3.2 54,-1.6 -2,-0.8 2,-0.7 -0.565 37.0-105.9-108.4 177.2 32.4 98.1 106.7 117 117 A T E > + e 0 170A 17 52,-0.2 4,-2.1 -2,-0.2 3,-0.5 -0.848 30.3 174.4-112.9 102.9 31.2 95.0 104.9 118 118 A G H > S+ 0 0 1 52,-1.5 4,-0.5 -2,-0.7 53,-0.2 0.803 81.8 63.3 -70.1 -26.4 33.7 92.1 104.6 119 119 A G H 4 S+ 0 0 6 51,-1.3 -1,-0.2 52,-0.2 52,-0.1 0.791 118.8 17.8 -69.0 -28.9 31.0 90.0 103.1 120 120 A A H >4 S+ 0 0 7 -3,-0.5 3,-0.8 2,-0.1 20,-0.4 0.648 106.0 74.3-118.3 -21.0 30.4 92.2 100.0 121 121 A I H 3< S+ 0 0 0 -4,-2.1 17,-2.9 1,-0.2 -3,-0.1 0.772 95.1 54.0 -68.5 -23.7 33.4 94.5 99.4 122 122 A Y T 3< S- 0 0 6 -4,-0.5 -1,-0.2 15,-0.3 -2,-0.1 0.594 99.0-139.2 -86.0 -10.9 35.7 91.8 98.1 123 123 A G < - 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0 0 10 -6,-1.8 2,-0.2 -7,-0.1 -1,-0.2 -0.528 35.1-136.5 -69.4 121.0 42.4 111.5 111.5 164 164 A K E +e 111 0A 98 -54,-1.7 -52,-1.8 -2,-0.4 2,-0.3 -0.578 34.5 171.5 -76.8 139.1 43.1 108.1 113.0 165 165 A W E -e 112 0A 40 -2,-0.2 71,-1.8 -54,-0.2 2,-0.3 -0.959 28.1-165.3-148.1 166.4 40.8 105.3 111.7 166 166 A V E -ef 113 236A 0 -54,-1.9 -52,-3.3 -2,-0.3 2,-0.6 -0.977 11.8-152.5-151.2 136.1 40.0 101.7 111.6 167 167 A S E -ef 114 237A 0 69,-2.3 71,-2.7 -2,-0.3 2,-0.8 -0.959 8.2-159.0-117.5 113.9 37.6 99.8 109.2 168 168 A L E -ef 115 238A 0 -54,-3.1 -52,-3.2 -2,-0.6 2,-1.3 -0.844 5.0-156.3 -94.2 110.6 36.1 96.7 110.6 169 169 A R E -ef 116 239A 6 69,-2.8 71,-2.7 -2,-0.8 -52,-0.2 -0.717 18.1-158.9 -90.6 89.3 35.0 94.5 107.7 170 170 A Y E -ef 117 240A 12 -54,-1.6 -52,-1.5 -2,-1.3 -51,-1.3 -0.327 7.8-144.8 -68.9 148.3 32.2 92.4 109.4 171 171 A G - 0 0 10 69,-1.9 2,-0.9 -53,-0.2 -52,-0.2 0.132 64.9 -41.7 -86.3-149.6 31.1 89.0 108.0 172 172 A N E -h 217 0C 6 44,-3.1 46,-2.7 -54,-0.1 2,-0.3 -0.723 69.2-152.9 -84.7 110.9 27.4 88.2 108.4 173 173 A V E +h 218 0C 12 -2,-0.9 2,-0.3 44,-0.2 46,-0.2 -0.655 22.5 164.7 -87.3 134.7 26.5 89.3 111.9 174 174 A Y E +h 219 0C 1 44,-1.7 46,-2.7 -2,-0.3 11,-0.1 -0.885 14.0 99.0-140.5 169.7 23.7 87.6 113.7 175 175 A G > - 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0 0 33 2,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.629 45.2-126.6 -90.3 -19.3 53.3 107.7 77.7 1179 243 D G S S+ 0 0 5 1,-0.3 2,-0.4 38,-0.1 36,-0.1 0.691 77.8 104.4 79.7 17.8 54.9 105.4 80.2 1180 244 D E - 0 0 126 -27,-0.1 -27,-0.4 37,-0.0 2,-0.3 -0.993 61.6-140.1-131.6 137.2 57.8 107.8 80.5 1181 245 D G - 0 0 28 -2,-0.4 2,-0.4 -29,-0.2 -29,-0.2 -0.699 11.7-166.7-101.0 152.9 58.5 110.2 83.4 1182 246 D H E -Q 1151 0T 30 -31,-2.3 -31,-2.0 -2,-0.3 2,-0.1 -0.998 17.3-131.8-134.9 137.9 59.7 113.8 83.4 1183 247 D T E > -Q 1150 0T 23 -2,-0.4 4,-1.7 -33,-0.2 -33,-0.2 -0.458 28.5-111.9 -82.1 161.8 61.0 115.8 86.3 1184 248 D T H > S+ 0 0 17 -35,-0.8 4,-2.4 1,-0.2 -36,-0.2 0.850 116.6 60.3 -62.8 -35.2 59.7 119.3 86.9 1185 249 D R H > S+ 0 0 101 -38,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.917 105.8 45.4 -62.4 -42.5 63.1 120.7 86.0 1186 250 D E H > S+ 0 0 80 -39,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.855 108.7 56.6 -72.5 -27.8 63.0 119.2 82.5 1187 251 D V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.958 110.6 45.3 -62.3 -46.6 59.5 120.4 82.0 1188 252 D L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.909 113.0 49.8 -60.9 -44.8 60.8 124.0 82.8 1189 253 D M H X S+ 0 0 96 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.880 110.5 49.9 -64.2 -36.0 63.8 123.4 80.5 1190 254 D A H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.896 112.9 46.9 -69.3 -37.1 61.5 122.2 77.7 1191 255 D V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.916 111.1 52.1 -68.5 -41.1 59.3 125.3 78.2 1192 256 D A H X>S+ 0 0 12 -4,-2.9 4,-1.7 1,-0.2 5,-1.7 0.896 109.9 48.5 -60.8 -43.0 62.4 127.5 78.2 1193 257 D E H <5S+ 0 0 117 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.904 113.8 46.1 -64.7 -42.9 63.6 126.1 75.0 1194 258 D A H <5S+ 0 0 15 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.826 117.5 43.6 -69.8 -31.8 60.3 126.5 73.3 1195 259 D A H <5S- 0 0 6 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.679 102.5-135.9 -85.3 -20.3 59.9 130.0 74.6 1196 260 D G T <5 + 0 0 62 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.917 65.2 109.3 65.2 43.5 63.5 130.9 73.8 1197 261 D K S - 0 0 93 -67,-0.4 3,-0.9 -3,-0.1 -3,-0.0 -0.733 18.3-108.6 -98.2 146.2 55.3 120.5 99.6 1208 272 D P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.225 99.4 35.8 -67.6 158.5 53.0 117.9 101.3 1209 273 D G T 3 S+ 0 0 46 1,-0.3 2,-0.5 -1050,-0.1 -133,-0.1 0.474 89.9 122.1 77.2 0.4 50.3 116.0 99.5 1210 274 D D < - 0 0 46 -3,-0.9 2,-0.3 -69,-0.1 -1,-0.3 -0.846 62.4-132.4 -99.8 126.1 52.6 116.0 96.5 1211 275 D L - 0 0 19 -2,-0.5 3,-0.2 1,-0.1 -61,-0.1 -0.596 8.0-146.0 -76.1 136.7 53.5 112.5 95.1 1212 276 D E S S+ 0 0 61 -2,-0.3 -62,-2.8 1,-0.2 2,-0.4 0.931 77.2 11.6 -67.8 -47.5 57.2 112.2 94.4 1213 277 D R B +r 1150 0T 34 -64,-0.2 -152,-2.3 -158,-0.1 2,-0.4 -0.984 57.3 171.2-143.8 132.1 57.0 109.9 91.4 1214 278 D S + 0 0 1 -64,-1.7 2,-0.3 -2,-0.4 -159,-0.1 -0.979 9.0 158.1-140.0 123.6 54.3 108.8 89.1 1215 279 D V - 0 0 4 -2,-0.4 -148,-2.5 -64,-0.1 2,-0.3 -0.984 25.3-144.8-144.3 132.2 54.7 106.8 85.8 1216 280 D L B -n 1067 0Q 0 -2,-0.3 -148,-0.2 -150,-0.3 -109,-0.0 -0.726 14.1-124.1-102.3 150.6 52.0 104.8 84.2 1217 281 D S - 0 0 5 -150,-2.8 -42,-0.2 -2,-0.3 3,-0.2 -0.796 21.4-174.3 -89.6 124.6 52.2 101.5 82.2 1218 282 D P > + 0 0 3 0, 0.0 4,-3.0 0, 0.0 3,-0.4 0.383 53.6 107.3 -98.9 2.9 50.7 102.0 78.8 1219 283 D L H > S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -151,-0.0 0.850 74.6 53.1 -48.3 -47.2 51.0 98.4 77.7 1220 284 D K H 4 S+ 0 0 80 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.900 116.5 37.4 -60.7 -43.4 47.3 97.6 78.0 1221 285 D L H >4>S+ 0 0 1 -3,-0.4 3,-1.8 -46,-0.2 5,-1.1 0.883 112.7 58.7 -75.6 -37.9 46.2 100.4 75.7 1222 286 D M H ><5S+ 0 0 52 -4,-3.0 3,-2.1 1,-0.3 -2,-0.2 0.800 93.1 67.8 -60.7 -28.5 49.2 100.0 73.5 1223 287 D A T 3<5S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.729 95.7 56.3 -64.8 -19.9 48.0 96.4 72.8 1224 288 D H T < 5S- 0 0 70 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.227 128.3 -98.7 -94.5 13.8 45.1 97.9 71.0 1225 289 D G T < 5S+ 0 0 55 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.326 75.6 143.5 91.4 -9.3 47.4 99.8 68.7 1226 290 D W < + 0 0 13 -5,-1.1 -1,-0.3 -64,-0.0 -2,-0.1 -0.367 17.5 163.9 -68.0 143.8 47.3 103.2 70.4 1227 291 D R - 0 0 125 -69,-0.1 2,-0.2 -2,-0.1 -49,-0.1 -0.971 43.0-101.6-158.1 141.2 50.5 105.2 70.6 1228 292 D P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 -69,-0.0 -0.507 26.2-169.4 -66.3 132.1 51.3 108.9 71.3 1229 293 D K S S+ 0 0 150 -2,-0.2 2,-0.5 1,-0.1 -72,-0.0 0.451 70.8 66.9 -98.8 -4.5 51.9 110.7 68.1 1230 294 D V S S- 0 0 26 -75,-0.1 -75,-0.4 4,-0.0 -1,-0.1 -0.955 74.5-147.5-123.8 114.5 53.3 113.8 69.9 1231 295 D G > - 0 0 43 -2,-0.5 4,-3.2 1,-0.1 5,-0.2 -0.291 30.2-103.8 -73.3 164.0 56.5 113.6 71.8 1232 296 D F H > S+ 0 0 24 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 118.9 47.0 -53.9 -55.6 57.2 115.7 74.9 1233 297 D Q H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 116.9 44.7 -55.8 -44.8 59.4 118.3 73.3 1234 298 D E H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 112.8 52.0 -66.0 -42.9 57.0 118.8 70.4 1235 299 D G H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.870 108.4 50.1 -61.7 -39.4 54.0 118.8 72.8 1236 300 D I H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.870 108.7 52.7 -68.5 -36.4 55.5 121.5 74.9 1237 301 D R H X S+ 0 0 98 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.930 108.4 50.2 -64.3 -44.7 56.2 123.7 71.9 1238 302 D L H X S+ 0 0 70 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.880 113.4 47.3 -59.9 -37.0 52.6 123.4 70.7 1239 303 D T H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.913 110.5 49.4 -71.6 -45.3 51.5 124.4 74.2 1240 304 D V H X S+ 0 0 1 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.895 108.4 55.5 -62.6 -36.9 53.9 127.4 74.5 1241 305 D D H X S+ 0 0 91 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.888 104.9 52.8 -61.7 -38.8 52.7 128.6 71.1 1242 306 D H H < S+ 0 0 67 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.883 109.7 48.2 -63.0 -39.9 49.1 128.6 72.3 1243 307 D F H < S+ 0 0 34 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.717 101.2 65.0 -75.2 -20.9 50.1 130.7 75.3 1244 308 D R H < S+ 0 0 130 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.931 107.5 41.1 -65.5 -44.5 52.0 133.2 73.1 1245 309 D G S < S+ 0 0 58 -4,-1.3 2,-1.7 1,-0.1 -1,-0.2 0.521 86.0 111.2 -80.9 -5.2 48.8 134.2 71.4 1246 310 D A 0 0 50 -4,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 -0.538 360.0 360.0 -74.1 88.9 46.9 134.2 74.7 1247 311 D V 0 0 205 -2,-1.7 -2,-0.1 0, 0.0 -3,-0.0 -0.179 360.0 360.0 -68.9 360.0 46.3 137.9 75.0