==== 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 TRANSFERASE 13-NOV-07 3BCV . COMPND 2 MOLECULE: PUTATIVE GLYCOSYLTRANSFERASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR K.PALANI,D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RES . 392 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.9 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 . 34 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 0 2 0 2 1 1 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 0 1 5 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 2 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 0 208 0, 0.0 31,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.7 50.8 -4.7 126.4 2 4 A I - 0 0 110 1,-0.1 81,-0.1 2,-0.0 82,-0.1 -0.800 360.0-109.3 -94.1 131.2 47.9 -4.3 124.1 3 5 A P - 0 0 27 0, 0.0 81,-2.2 0, 0.0 82,-0.3 -0.246 16.0-139.0 -59.1 147.8 47.0 -0.6 123.4 4 6 A K S S+ 0 0 58 28,-2.4 81,-1.3 1,-0.3 2,-0.4 0.926 84.0 8.1 -73.9 -45.8 43.8 0.7 124.9 5 7 A V E -ab 33 85A 0 27,-1.1 29,-2.6 26,-0.2 2,-0.6 -0.997 61.0-152.2-141.8 134.2 42.7 2.7 121.8 6 8 A S E -ab 34 86A 0 79,-2.2 81,-2.3 -2,-0.4 2,-0.7 -0.924 15.7-159.5-102.9 122.4 44.1 2.9 118.3 7 9 A V E -ab 35 87A 0 27,-3.1 29,-2.9 -2,-0.6 2,-0.5 -0.922 4.8-159.7-108.7 113.3 43.3 6.3 116.8 8 10 A I E -ab 36 88A 0 79,-3.2 81,-2.0 -2,-0.7 29,-0.2 -0.797 4.1-166.7 -95.0 128.6 43.5 6.3 113.0 9 11 A V E -a 37 0A 0 27,-2.8 29,-2.5 -2,-0.5 2,-0.5 -0.936 9.6-151.3-119.6 108.9 43.9 9.7 111.2 10 12 A P E -a 38 0A 12 0, 0.0 81,-0.6 0, 0.0 2,-0.5 -0.690 21.7-155.8 -80.1 123.7 43.3 9.7 107.4 11 13 A I E +a 39 0A 0 27,-2.9 29,-2.1 -2,-0.5 2,-0.2 -0.899 29.7 145.8-115.0 126.9 45.5 12.5 106.0 12 14 A Y S S- 0 0 100 -2,-0.5 30,-0.1 27,-0.1 29,-0.0 -0.798 76.4 -28.0-156.4 109.7 45.1 14.5 102.8 13 15 A N S S+ 0 0 86 -2,-0.2 3,-0.0 1,-0.1 -2,-0.0 0.949 92.7 118.5 48.3 65.0 46.0 18.2 102.3 14 16 A V >> + 0 0 19 77,-0.0 3,-2.8 2,-0.0 4,-2.5 -0.037 18.4 137.2-145.5 27.5 45.6 19.3 105.9 15 17 A E T 34 S+ 0 0 61 1,-0.3 4,-0.5 2,-0.2 -2,-0.0 0.714 72.4 57.5 -51.0 -24.8 49.1 20.4 106.7 16 18 A K T 34 S+ 0 0 188 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.548 117.7 31.3 -86.5 -6.8 47.7 23.5 108.4 17 19 A Y T <> S+ 0 0 137 -3,-2.8 4,-1.8 2,-0.1 -2,-0.2 0.640 96.7 84.0-119.2 -28.4 45.7 21.4 110.8 18 20 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.858 87.9 51.7 -46.4 -54.8 47.7 18.1 111.3 19 21 A D H > S+ 0 0 70 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.937 111.3 46.0 -52.2 -54.2 50.1 19.3 114.1 20 22 A Q H > S+ 0 0 113 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.863 115.2 50.9 -59.4 -33.7 47.4 20.6 116.3 21 23 A C H >X S+ 0 0 1 -4,-1.8 4,-1.4 2,-0.2 3,-0.6 0.965 112.7 40.9 -68.3 -56.3 45.4 17.4 115.7 22 24 A V H 3X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.851 113.4 56.0 -62.4 -34.3 48.2 14.9 116.5 23 25 A Q H 3X S+ 0 0 104 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.782 105.2 52.0 -69.5 -26.9 49.3 17.0 119.4 24 26 A A H << S+ 0 0 15 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.804 109.9 48.7 -77.5 -30.5 45.7 16.8 120.9 25 27 A L H >< S+ 0 0 4 -4,-1.4 3,-0.5 1,-0.2 -2,-0.2 0.745 109.8 52.7 -78.2 -24.5 45.8 13.0 120.5 26 28 A L H 3< S+ 0 0 47 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.707 106.4 54.3 -81.7 -20.4 49.2 13.0 122.2 27 29 A A T 3< S+ 0 0 61 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.387 79.0 131.4 -93.3 1.3 47.8 15.0 125.1 28 30 A Q < - 0 0 18 -3,-0.5 70,-0.2 1,-0.1 69,-0.1 -0.139 58.8-135.8 -54.5 150.8 44.9 12.6 125.9 29 31 A T S S+ 0 0 68 68,-3.1 2,-0.2 2,-0.1 -1,-0.1 0.750 81.6 89.7 -81.0 -25.0 44.4 11.6 129.5 30 32 A L S S- 0 0 9 67,-0.4 3,-0.2 1,-0.1 71,-0.1 -0.549 75.1-136.4 -74.6 136.1 44.0 8.0 128.6 31 33 A S S S+ 0 0 57 -2,-0.2 -27,-0.2 1,-0.2 -26,-0.2 -0.257 74.9 38.1 -84.5 175.0 47.2 6.0 128.6 32 34 A D S S+ 0 0 90 1,-0.2 -28,-2.4 -29,-0.1 -27,-1.1 0.885 71.0 164.4 49.4 53.7 48.3 3.4 126.0 33 35 A I E -a 5 0A 12 -3,-0.2 2,-0.6 -29,-0.2 -27,-0.2 -0.871 26.9-151.4-102.4 128.5 47.0 5.2 122.9 34 36 A E E -a 6 0A 16 -29,-2.6 -27,-3.1 -2,-0.5 2,-0.5 -0.898 11.3-155.4-100.1 123.3 48.3 4.0 119.6 35 37 A I E -ac 7 60A 0 24,-3.0 26,-3.1 -2,-0.6 2,-0.5 -0.885 8.0-168.3-105.0 126.4 48.3 6.8 117.0 36 38 A I E -ac 8 61A 0 -29,-2.9 -27,-2.8 -2,-0.5 2,-0.6 -0.956 3.0-165.2-119.5 123.7 48.1 5.8 113.3 37 39 A L E -ac 9 62A 0 24,-3.3 26,-2.1 -2,-0.5 2,-0.7 -0.936 1.3-164.8-111.3 122.1 48.7 8.3 110.6 38 40 A I E -ac 10 63A 0 -29,-2.5 -27,-2.9 -2,-0.6 2,-1.1 -0.897 5.7-158.7-110.3 105.0 47.7 7.3 107.0 39 41 A D E -ac 11 64A 6 24,-3.0 26,-3.1 -2,-0.7 2,-2.2 -0.713 0.9-162.6 -84.8 98.2 49.2 9.7 104.4 40 42 A D - 0 0 2 -29,-2.1 29,-0.2 -2,-1.1 -1,-0.1 -0.288 67.8 -70.8 -79.4 54.8 47.0 9.3 101.4 41 43 A E - 0 0 98 -2,-2.2 -1,-0.2 24,-0.2 26,-0.1 0.954 68.7-155.2 54.2 56.5 49.7 10.8 99.2 42 44 A S - 0 0 8 -31,-0.1 -1,-0.2 1,-0.1 -30,-0.1 -0.450 11.1-145.2 -66.3 123.5 49.2 14.2 100.6 43 45 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.702 80.6 53.8 -61.9 -24.3 50.3 17.0 98.1 44 46 A D S S- 0 0 28 1,-0.0 -3,-0.0 3,-0.0 -31,-0.0 0.273 115.1 -66.4 -89.3-143.8 51.6 19.3 100.9 45 47 A N S >> S+ 0 0 93 1,-0.2 4,-2.2 2,-0.1 3,-0.6 0.322 96.2 106.9 -95.2 7.6 54.1 18.7 103.7 46 48 A C H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.818 71.0 64.2 -55.6 -33.6 52.0 16.2 105.6 47 49 A P H 3> S+ 0 0 34 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.948 110.1 36.5 -58.1 -45.6 54.2 13.3 104.5 48 50 A K H <> S+ 0 0 149 -3,-0.6 4,-3.1 2,-0.2 -2,-0.2 0.873 112.4 58.6 -73.0 -37.5 57.3 14.7 106.3 49 51 A I H X S+ 0 0 23 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.898 107.0 49.9 -57.6 -39.7 55.2 15.9 109.3 50 52 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.918 111.2 47.5 -65.5 -43.2 54.1 12.3 109.7 51 53 A D H X S+ 0 0 73 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.901 108.6 55.6 -64.6 -39.1 57.7 11.1 109.6 52 54 A D H X S+ 0 0 87 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.915 111.5 43.8 -58.0 -44.6 58.7 13.8 112.1 53 55 A Y H X S+ 0 0 12 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.919 111.6 52.3 -68.0 -42.9 56.0 12.5 114.5 54 56 A A H < S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.785 115.9 43.3 -63.8 -25.6 56.9 8.9 113.9 55 57 A A H < S+ 0 0 83 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.906 115.3 45.4 -84.9 -46.8 60.5 9.8 114.7 56 58 A Q H < S+ 0 0 134 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.628 116.8 44.0 -73.7 -15.8 59.9 12.1 117.7 57 59 A Y < - 0 0 91 -4,-1.8 3,-0.4 -5,-0.2 -1,-0.0 -0.949 64.0-144.3-132.6 154.9 57.4 9.7 119.4 58 60 A P S S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.600 94.1 55.8 -90.4 -13.1 57.1 5.9 120.2 59 61 A N S S+ 0 0 55 -25,-0.1 -24,-3.0 2,-0.0 2,-0.5 0.041 83.4 101.1-110.2 29.6 53.4 5.4 119.8 60 62 A I E -c 35 0A 12 -3,-0.4 2,-0.3 -6,-0.2 -24,-0.2 -0.947 47.1-171.4-120.9 116.4 53.0 6.8 116.3 61 63 A K E -c 36 0A 90 -26,-3.1 -24,-3.3 -2,-0.5 2,-0.4 -0.802 9.3-163.8-102.4 144.5 52.7 4.5 113.2 62 64 A V E -c 37 0A 36 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.980 12.4-174.2-133.8 142.9 52.7 5.9 109.7 63 65 A I E -c 38 0A 52 -26,-2.1 -24,-3.0 -2,-0.4 2,-0.6 -0.994 11.6-154.9-137.2 128.8 51.8 4.6 106.3 64 66 A H E -c 39 0A 89 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.910 24.2-176.4-103.0 115.8 52.4 6.4 103.0 65 67 A K - 0 0 36 -26,-3.1 2,-0.4 -2,-0.6 -24,-0.2 -0.761 36.2-108.7-114.8 160.7 49.9 5.4 100.3 66 68 A K - 0 0 180 -2,-0.3 -25,-0.1 1,-0.1 -26,-0.0 -0.730 68.9 -82.0 -79.2 131.0 49.3 6.1 96.6 67 69 A N + 0 0 48 -2,-0.4 -1,-0.1 1,-0.1 -26,-0.1 -0.011 69.8 145.0 -41.7 130.0 46.1 8.2 96.8 68 70 A A - 0 0 30 1,-0.1 4,-0.4 -28,-0.1 105,-0.2 0.327 59.3 -89.0-150.7 3.9 42.9 6.2 97.1 69 71 A G > - 0 0 2 -29,-0.2 4,-1.5 1,-0.1 -1,-0.1 -0.075 40.3 -79.0 102.2 160.0 40.6 8.2 99.4 70 72 A L H > S+ 0 0 73 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.844 123.1 55.6 -66.0 -37.1 39.8 8.6 103.1 71 73 A G H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 98,-0.4 0.948 111.7 42.9 -61.8 -48.3 37.6 5.5 103.3 72 74 A X H > S+ 0 0 85 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.819 112.5 56.0 -67.2 -28.5 40.4 3.3 102.0 73 75 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.947 105.0 50.3 -67.7 -46.9 42.8 5.2 104.2 74 76 A C H X S+ 0 0 9 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.871 108.6 54.9 -58.5 -35.2 40.8 4.3 107.3 75 77 A N H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.921 105.2 49.9 -64.8 -45.0 40.9 0.7 106.2 76 78 A S H X S+ 0 0 21 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.913 109.9 53.7 -59.8 -39.3 44.7 0.7 106.0 77 79 A G H >X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.6 0.919 106.9 50.1 -59.8 -44.5 44.6 2.1 109.5 78 80 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 103.2 61.2 -63.5 -32.2 42.4 -0.7 110.6 79 81 A D H 3< S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 115.0 32.6 -65.3 -30.4 44.8 -3.3 109.1 80 82 A V H << S+ 0 0 43 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.574 91.8 114.9-102.1 -11.6 47.6 -2.1 111.4 81 83 A A < + 0 0 4 -4,-1.4 5,-0.1 -5,-0.2 -46,-0.0 -0.312 33.1 173.3 -61.1 138.8 45.5 -1.1 114.4 82 84 A T + 0 0 50 3,-0.1 -1,-0.1 -48,-0.0 4,-0.1 0.449 35.9 116.4-125.1 -6.0 46.2 -3.3 117.5 83 85 A G S S- 0 0 0 2,-0.1 -79,-0.2 1,-0.1 -78,-0.1 -0.119 73.2-120.6 -64.0 162.1 44.2 -1.6 120.2 84 86 A E S S+ 0 0 89 -81,-2.2 75,-1.7 -82,-0.1 76,-0.6 0.848 104.9 28.7 -68.8 -32.5 41.3 -3.2 122.1 85 87 A Y E S-bD 5 158A 5 -81,-1.3 -79,-2.2 73,-0.3 2,-0.3 -0.849 76.9-156.4-123.1 161.7 39.3 -0.3 120.7 86 88 A V E +bD 6 157A 0 71,-2.8 71,-2.7 -2,-0.3 2,-0.3 -0.955 11.5 175.8-138.5 154.4 39.7 1.8 117.6 87 89 A A E -bD 7 156A 1 -81,-2.3 -79,-3.2 -2,-0.3 2,-0.4 -0.989 21.5-131.3-155.3 160.8 38.6 5.2 116.5 88 90 A F E -b 8 0A 27 67,-0.6 2,-0.4 -2,-0.3 67,-0.3 -0.944 16.9-171.3-119.8 140.4 38.9 7.7 113.7 89 91 A C - 0 0 6 -81,-2.0 2,-0.1 -2,-0.4 65,-0.1 -0.997 22.8-125.3-132.7 129.2 39.8 11.4 114.0 90 92 A D > - 0 0 66 -2,-0.4 3,-1.6 -81,-0.1 -79,-0.1 -0.448 20.9-124.1 -71.6 144.8 39.6 14.0 111.2 91 93 A S T 3 S+ 0 0 6 -81,-0.6 2,-0.2 1,-0.3 -70,-0.2 0.906 111.6 56.1 -53.6 -45.2 42.8 15.9 110.5 92 94 A D T 3 S+ 0 0 88 -71,-0.1 2,-0.4 -72,-0.1 -1,-0.3 0.038 94.4 88.8 -80.1 30.1 40.9 19.2 111.0 93 95 A D < - 0 0 49 -3,-1.6 2,-0.7 -2,-0.2 -69,-0.1 -0.943 52.5-171.6-135.4 113.9 39.8 18.1 114.5 94 96 A Y - 0 0 181 -2,-0.4 2,-0.1 -70,-0.1 -73,-0.1 -0.916 28.0-145.6-102.3 113.1 41.8 18.7 117.7 95 97 A V - 0 0 24 -2,-0.7 2,-0.3 -74,-0.3 -2,-0.0 -0.444 17.3 -97.0 -86.7 155.0 40.0 16.7 120.4 96 98 A D > - 0 0 99 -2,-0.1 3,-2.4 1,-0.1 4,-0.4 -0.480 33.9-127.0 -67.7 125.3 39.4 17.3 124.2 97 99 A S T 3 S+ 0 0 46 -2,-0.3 -68,-3.1 1,-0.3 -67,-0.4 0.540 106.4 50.4 -52.8 -14.0 42.0 15.5 126.3 98 100 A D T 3> S+ 0 0 83 -70,-0.2 4,-2.6 -69,-0.1 -1,-0.3 0.546 87.5 93.0 -99.9 -9.4 39.4 13.7 128.5 99 101 A X H <> S+ 0 0 34 -3,-2.4 4,-2.3 1,-0.2 5,-0.2 0.903 86.0 39.2 -50.1 -61.5 37.4 12.5 125.5 100 102 A Y H > S+ 0 0 4 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.831 113.8 57.1 -63.5 -30.6 38.9 9.0 124.9 101 103 A X H > S+ 0 0 57 -4,-0.2 4,-2.7 2,-0.2 5,-0.2 0.961 108.2 47.0 -62.1 -50.2 39.1 8.4 128.6 102 104 A T H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.959 116.2 43.3 -56.1 -54.5 35.4 9.0 129.0 103 105 A X H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.879 113.4 51.8 -61.9 -38.4 34.5 6.8 126.1 104 106 A Y H X S+ 0 0 24 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.947 109.5 48.9 -62.7 -49.6 36.9 4.1 127.1 105 107 A N H X S+ 0 0 80 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.898 112.9 48.0 -57.8 -42.9 35.6 3.9 130.7 106 108 A V H X S+ 0 0 25 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.953 111.6 48.8 -62.7 -51.7 32.0 3.7 129.5 107 109 A A H X>S+ 0 0 1 -4,-2.5 5,-1.5 1,-0.2 4,-0.6 0.843 113.5 48.7 -57.7 -35.1 32.8 1.0 126.9 108 110 A Q H <5S+ 0 0 80 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.864 109.4 51.7 -75.0 -36.3 34.6 -1.0 129.6 109 111 A K H <5S+ 0 0 151 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.947 124.4 25.2 -65.4 -50.3 31.9 -0.7 132.2 110 112 A Y H <5S- 0 0 70 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.287 104.1-119.3 -99.2 8.8 29.0 -1.9 130.0 111 113 A T T <5 - 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0 0 95 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.929 45.9-169.7 51.7 50.8 2.5 6.2 87.4 310 114 B C < - 0 0 1 -5,-1.9 81,-0.2 -6,-0.2 3,-0.1 -0.285 33.7-154.4 -72.0 154.7 5.8 6.2 89.3 311 115 B D S S+ 0 0 6 79,-2.2 45,-2.5 1,-0.4 2,-0.3 0.557 88.2 10.0 -98.5 -14.2 6.6 8.4 92.2 312 116 B A E -Lm 355 391B 1 78,-0.5 80,-2.0 43,-0.2 2,-0.5 -0.939 59.2-156.0-165.6 139.1 10.2 8.0 91.3 313 117 B V E -Lm 354 392B 0 41,-2.4 41,-2.3 -2,-0.3 80,-0.2 -0.978 25.7-149.7-119.7 118.9 12.4 6.7 88.4 314 118 B F E Lm 353 393B 7 78,-3.0 80,-2.4 -2,-0.5 39,-0.2 -0.555 360.0 360.0 -96.2 158.6 16.0 5.7 89.3 315 119 B T 0 0 68 37,-0.7 37,-0.1 -2,-0.2 78,-0.1 -0.295 360.0 360.0 51.2 360.0 19.3 5.6 87.5 316 ! 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 0.0 317 140 B F 0 0 124 0, 0.0 2,-0.3 0, 0.0 77,-0.2 0.000 360.0 360.0 360.0 127.1 14.5 -3.2 84.7 318 141 B K E -N 393 0B 95 75,-2.0 75,-1.9 2,-0.0 2,-0.3 -0.924 360.0-173.3-125.5 149.8 12.7 -3.2 88.1 319 142 B L E -N 392 0B 43 -2,-0.3 2,-1.0 73,-0.2 73,-0.2 -0.888 9.1-160.6-144.9 110.0 9.2 -2.1 89.1 320 143 B Y E -N 391 0B 26 71,-3.5 71,-1.5 -2,-0.3 70,-0.1 -0.800 7.5-167.1 -97.0 101.9 8.1 -2.0 92.7 321 144 B K + 0 0 132 -2,-1.0 2,-0.3 69,-0.2 -1,-0.2 0.715 59.8 12.9 -58.3 -33.2 4.3 -1.9 92.7 322 145 B N S >> S- 0 0 67 67,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.957 78.7 -95.4-149.0 167.9 3.6 -1.0 96.3 323 146 B K H 3> S+ 0 0 117 -2,-0.3 4,-3.3 1,-0.3 5,-0.3 0.876 119.1 59.0 -46.4 -47.3 4.9 0.3 99.6 324 147 B N H 3> S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.876 107.8 44.7 -53.6 -42.5 5.3 -3.3 100.8 325 148 B E H <> S+ 0 0 61 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.893 114.2 49.1 -70.2 -38.6 7.7 -4.1 98.0 326 149 B I H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.901 110.4 51.4 -65.9 -41.6 9.6 -0.9 98.5 327 150 B H H X S+ 0 0 85 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.871 104.4 56.4 -64.0 -38.1 9.9 -1.5 102.2 328 151 B T H < S+ 0 0 74 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.903 108.5 49.6 -59.5 -38.7 11.3 -5.0 101.5 329 152 B L H >< S+ 0 0 17 -4,-1.4 3,-1.3 1,-0.2 4,-0.4 0.934 106.9 52.9 -64.2 -48.6 13.9 -3.2 99.5 330 153 B L H >< S+ 0 0 2 -4,-2.2 3,-1.2 1,-0.3 4,-0.5 0.728 92.0 76.9 -63.0 -21.5 14.8 -0.7 102.3 331 154 B K G >X S+ 0 0 113 -4,-1.4 3,-1.2 1,-0.3 4,-1.0 0.822 82.9 64.6 -59.2 -34.2 15.3 -3.6 104.8 332 155 B D G <4 S+ 0 0 52 -3,-1.3 -1,-0.3 -4,-0.5 3,-0.2 0.797 90.5 66.9 -61.2 -27.8 18.7 -4.4 103.3 333 156 B L G <4 S+ 0 0 14 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.801 114.8 26.2 -64.8 -27.6 20.0 -1.0 104.5 334 157 B I T <4 S+ 0 0 8 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.416 96.8 104.4-117.1 2.2 19.6 -2.1 108.1 335 158 B A S < S- 0 0 41 -4,-1.0 -147,-0.1 -3,-0.2 6,-0.1 -0.276 83.2 -98.9 -76.8 171.6 20.0 -5.9 108.1 336 159 B S S S+ 0 0 69 -149,-0.1 -1,-0.1 4,-0.0 -148,-0.1 0.874 93.5 92.3 -57.4 -50.0 23.1 -7.7 109.3 337 160 B D > - 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0 0 103 -3,-0.7 -3,-0.2 -4,-0.2 -4,-0.1 0.844 37.6-176.8 41.1 48.2 7.6 18.6 102.2 365 188 B L < + 0 0 2 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.462 6.0 169.5 -73.1 142.2 10.7 16.4 101.7 366 189 B R - 0 0 36 -3,-0.1 2,-0.2 -2,-0.1 -96,-0.1 -0.971 35.2 -97.1-151.5 159.6 13.9 18.4 101.5 367 190 B F - 0 0 12 -98,-0.4 2,-0.3 -2,-0.3 10,-0.1 -0.534 29.2-133.6 -81.3 148.7 17.6 17.8 101.5 368 191 B V - 0 0 16 8,-0.2 2,-0.1 -2,-0.2 12,-0.1 -0.676 43.2 -89.2 -91.2 153.3 19.7 18.2 104.7 369 192 B S >> - 0 0 12 -2,-0.3 4,-3.1 1,-0.2 3,-1.7 -0.423 23.3-134.6 -67.2 139.0 22.8 20.2 104.1 370 193 B E T 34 S+ 0 0 40 1,-0.3 -1,-0.2 2,-0.2 6,-0.1 0.833 109.5 62.2 -59.2 -30.8 25.9 18.2 103.1 371 194 B R T 34 S+ 0 0 153 -105,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.720 113.5 33.0 -67.0 -20.9 27.7 20.3 105.7 372 195 B I T <4 S+ 0 0 111 -3,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.773 135.9 18.0-103.3 -35.0 25.4 18.8 108.3 373 196 B L >< - 0 0 1 -4,-3.1 3,-2.0 1,-0.1 -1,-0.3 -0.857 58.5-165.1-144.4 101.8 24.9 15.3 106.9 374 197 B P T > S+ 0 0 87 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.828 92.9 59.5 -54.1 -36.3 27.3 13.9 104.2 375 198 B S T >> S+ 0 0 3 1,-0.2 4,-2.6 -198,-0.1 3,-0.6 0.326 70.8 125.2 -78.0 11.2 24.9 11.1 103.4 376 199 B E H <> + 0 0 28 -3,-2.0 4,-2.0 1,-0.3 -8,-0.2 0.777 68.9 50.3 -39.8 -43.5 22.4 13.8 102.5 377 200 B D H <> S+ 0 0 53 -3,-0.6 4,-1.9 2,-0.2 -1,-0.3 0.943 112.3 45.9 -66.7 -46.3 21.7 12.5 99.0 378 201 B L H <> S+ 0 0 7 -3,-0.6 4,-1.7 1,-0.2 -2,-0.2 0.945 112.6 52.4 -60.3 -45.9 21.1 8.9 100.1 379 202 B I H X S+ 0 0 8 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.873 107.1 51.0 -58.7 -40.9 18.9 10.2 102.9 380 203 B F H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.898 110.2 49.1 -65.3 -40.6 16.7 12.2 100.5 381 204 B N H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.783 110.7 51.3 -69.9 -26.3 16.2 9.2 98.2 382 205 B V H X S+ 0 0 4 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.875 106.1 54.9 -75.2 -36.7 15.3 7.1 101.2 383 206 B D H X S+ 0 0 8 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.966 112.0 44.5 -56.7 -52.9 12.8 9.8 102.2 384 207 B V H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.933 115.8 46.2 -56.9 -50.8 11.2 9.5 98.8 385 208 B L H >< S+ 0 0 6 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.925 108.6 53.7 -60.8 -47.7 11.2 5.7 98.8 386 209 B A H 3< S+ 0 0 19 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.584 115.5 43.1 -64.7 -8.5 9.8 5.3 102.3 387 210 B N T << S+ 0 0 12 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.3 0.058 99.7 99.9-124.5 22.7 6.9 7.5 101.2 388 211 B S < - 0 0 1 -3,-1.9 2,-0.4 -65,-0.1 -62,-0.1 -0.772 50.6-160.8-116.5 159.2 6.3 6.1 97.7 389 212 B N S S+ 0 0 75 1,-0.4 -78,-0.4 -2,-0.3 -67,-0.2 -0.928 81.6 13.9-121.9 142.0 3.9 3.7 96.0 390 213 B I + 0 0 41 -2,-0.4 -79,-2.2 -80,-0.1 -78,-0.5 0.871 68.7 173.7 54.6 110.2 5.4 2.5 92.7 391 214 B V E -mN 312 320B 2 -71,-1.5 -71,-3.5 -81,-0.2 2,-0.3 -0.992 9.1-164.6-143.8 139.4 9.1 3.1 92.1 392 215 B C E -mN 313 319B 0 -80,-2.0 -78,-3.0 -2,-0.3 2,-0.5 -0.950 11.8-144.4-132.6 154.7 11.1 1.8 89.1 393 216 B V E -mN 314 318B 20 -75,-1.9 -75,-2.0 -2,-0.3 -78,-0.2 -0.964 16.0-140.7-118.3 126.8 14.7 1.4 88.2 394 217 B L 0 0 29 -80,-2.4 -93,-0.0 -2,-0.5 -81,-0.0 -0.654 360.0 360.0 -86.5 137.2 16.0 1.8 84.7 395 218 B P 0 0 140 0, 0.0 -80,-0.1 0, 0.0 -1,-0.1 -0.313 360.0 360.0 -85.5 360.0 18.7 -0.5 83.3