==== 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 24-MAR-06 2GGO . COMPND 2 MOLECULE: 401AA LONG HYPOTHETICAL GLUCOSE-1-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR V.RAJAKANNAN,T.MIZUSHIMA,A.SUZUKI,R.MASUI,S.KURAMITSU,T.YAMA . 401 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 8.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 47 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 1 1 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 14 6 1 3 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 . 1 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 1 3 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 76 0, 0.0 47,-0.6 0, 0.0 46,-0.5 0.000 360.0 360.0 360.0 145.2 6.1 55.9 39.6 2 2 A K E -ab 48 93A 66 90,-0.7 92,-3.4 44,-0.1 2,-0.4 -0.887 360.0-154.5-104.7 145.8 7.7 53.9 42.5 3 3 A A E -ab 49 94A 1 45,-2.5 47,-2.1 -2,-0.4 2,-0.4 -0.937 5.3-164.6-117.6 141.3 6.2 50.6 43.6 4 4 A F E -ab 50 95A 3 90,-3.1 92,-2.9 -2,-0.4 2,-0.6 -0.996 4.6-159.7-124.4 122.8 6.5 49.1 47.1 5 5 A I E -ab 51 96A 0 45,-2.9 47,-2.4 -2,-0.4 2,-0.9 -0.923 13.4-144.6 -98.8 119.8 5.7 45.4 47.6 6 6 A L E +ab 52 97A 10 90,-3.1 92,-3.9 -2,-0.6 93,-0.2 -0.803 39.2 150.2 -91.0 104.8 4.9 44.7 51.3 7 7 A A + 0 0 4 45,-2.4 47,-0.5 -2,-0.9 17,-0.2 -0.294 29.0 115.3-127.4 41.9 6.3 41.2 51.8 8 8 A A + 0 0 20 45,-0.2 45,-0.1 71,-0.1 49,-0.1 0.606 50.7 103.0-105.7 -14.0 7.3 41.4 55.5 9 9 A G - 0 0 27 1,-0.2 2,-0.3 -3,-0.1 45,-0.2 -0.094 68.7 -74.3 -40.8 165.2 5.0 38.8 57.3 10 10 A S - 0 0 53 12,-0.1 -1,-0.2 13,-0.1 -2,-0.1 -0.445 15.3-153.3 34.3 88.2 4.7 36.0 58.7 11 11 A G > + 0 0 14 -2,-0.3 3,-2.0 10,-0.1 7,-0.3 -0.243 61.8 115.2 102.4 -74.0 4.6 33.7 57.2 12 12 A E G > S+ 0 0 77 1,-0.3 3,-1.5 2,-0.2 332,-0.4 0.739 72.8 53.0 -55.8 -46.2 2.6 31.9 59.8 13 13 A R G 3 S+ 0 0 84 1,-0.2 -1,-0.3 330,-0.1 197,-0.0 0.737 109.6 52.8 -63.7 -19.9 -0.7 31.3 58.2 14 14 A L G X> S+ 0 0 7 -3,-2.0 3,-1.2 197,-0.2 4,-0.8 0.300 90.6 163.0-103.3 7.1 1.1 29.7 55.2 15 15 A E T <4 + 0 0 58 -3,-1.5 363,-0.1 1,-0.3 329,-0.0 -0.336 52.6 30.1 -55.4 149.3 3.1 27.2 57.3 16 16 A P T >4 S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 345,-0.4 -0.984 120.5 55.1 -82.9 -1.3 4.5 24.7 56.6 17 17 A I G X> S+ 0 0 0 -3,-1.2 3,-1.0 1,-0.3 4,-0.5 0.880 108.3 53.9 -57.7 -33.7 5.3 26.0 53.1 18 18 A T G 3< S+ 0 0 23 -4,-0.8 -1,-0.3 -7,-0.3 -3,-0.2 0.371 81.9 87.8 -85.8 5.4 6.8 29.1 54.8 19 19 A H G <4 S+ 0 0 53 -3,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.777 107.8 19.6 -67.8 -26.2 9.2 27.2 56.9 20 20 A T T <4 S+ 0 0 32 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.491 129.2 31.8-123.3 -6.9 11.7 27.3 54.1 21 21 A R S < S- 0 0 16 -4,-0.5 -1,-0.2 -10,-0.0 2,-0.1 -0.983 80.7-105.9-148.7 148.4 10.7 30.2 51.8 22 22 A P > - 0 0 10 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.521 40.5-110.5 -70.4 149.6 9.0 33.6 52.3 23 23 A K G > S+ 0 0 23 1,-0.3 3,-1.7 2,-0.2 10,-0.3 0.758 114.8 72.1 -54.3 -23.3 5.4 33.6 51.0 24 24 A A G 3 S+ 0 0 2 1,-0.3 10,-3.0 -17,-0.2 11,-0.3 0.727 96.6 53.7 -63.1 -20.4 6.4 35.9 48.1 25 25 A F G < S+ 0 0 2 -3,-2.4 -1,-0.3 8,-0.2 -2,-0.2 0.349 72.3 128.8-100.4 5.3 8.1 32.9 46.7 26 26 A V < - 0 0 0 -3,-1.7 7,-2.6 -4,-0.2 2,-0.2 -0.439 63.3-118.5 -52.8 128.0 5.1 30.4 46.8 27 27 A P E -I 32 0B 2 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.488 24.3-166.3 -81.3 144.4 5.0 29.0 43.2 28 28 A I E > S-I 31 0B 0 3,-2.6 3,-2.1 -2,-0.2 191,-0.1 -0.991 77.7 -44.5-120.8 114.6 2.1 29.5 40.9 29 29 A L T 3 S- 0 0 4 -2,-0.5 255,-0.1 1,-0.3 190,-0.0 -0.312 129.2 -16.8 47.5-129.4 2.8 26.9 38.2 30 30 A S T 3 S+ 0 0 61 -3,-0.1 -1,-0.3 253,-0.1 237,-0.0 0.518 126.4 59.5 -83.0 -3.3 6.5 27.4 37.5 31 31 A K E < S-I 28 0B 56 -3,-2.1 -3,-2.6 -5,-0.0 5,-0.1 -0.936 81.4-102.1-133.6 151.0 7.2 30.9 39.0 32 32 A P E >> -I 27 0B 15 0, 0.0 4,-0.9 0, 0.0 3,-0.9 -0.245 33.6-114.3 -65.1 151.8 7.0 32.5 42.4 33 33 A L H >> S+ 0 0 1 -7,-2.6 4,-1.8 -10,-0.3 3,-1.1 0.889 114.5 57.4 -42.9 -50.2 4.1 34.8 43.3 34 34 A I H 3> S+ 0 0 0 -10,-3.0 4,-2.6 1,-0.3 -1,-0.2 0.788 98.6 60.9 -65.8 -24.1 6.4 37.9 43.6 35 35 A E H <> S+ 0 0 86 -3,-0.9 4,-1.3 -11,-0.3 -1,-0.3 0.801 104.0 49.2 -70.1 -34.9 7.6 37.3 40.0 36 36 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-1.4 0.959 111.3 46.0 -45.1 -58.3 4.3 46.3 37.6 42 42 A R H ><5S+ 0 0 77 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.800 105.5 59.2 -65.3 -29.9 6.7 46.4 34.7 43 43 A K H 3<5S+ 0 0 112 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.754 105.7 51.5 -65.5 -23.0 3.9 45.8 32.2 44 44 A a T <<5S- 0 0 19 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.432 127.1-101.3 -88.2 0.2 2.5 49.1 33.7 45 45 A G T < 5S+ 0 0 58 -3,-1.2 2,-0.6 1,-0.3 -3,-0.2 0.664 79.0 136.7 84.4 19.8 5.8 50.9 33.2 46 46 A I < + 0 0 0 -5,-2.0 -1,-0.3 1,-0.2 -2,-0.2 -0.908 11.3 152.7-103.7 124.9 6.9 50.7 36.8 47 47 A R + 0 0 150 -2,-0.6 2,-1.7 -46,-0.5 -1,-0.2 0.590 51.1 83.6-123.7 -27.2 10.5 49.8 37.1 48 48 A D E +a 2 0A 62 -47,-0.6 -45,-2.5 20,-0.1 2,-0.5 -0.648 64.1 167.5 -85.4 85.8 11.5 51.3 40.4 49 49 A I E -a 3 0A 2 -2,-1.7 20,-2.3 18,-0.3 2,-0.4 -0.882 16.1-173.5-111.4 132.3 10.3 48.4 42.6 50 50 A T E -ac 4 69A 9 -47,-2.1 -45,-2.9 -2,-0.5 2,-0.6 -0.986 11.2-152.0-123.8 132.6 11.2 48.0 46.2 51 51 A V E -ac 5 70A 0 18,-3.0 20,-3.1 -2,-0.4 2,-0.6 -0.903 7.1-150.3-101.1 123.3 10.3 45.0 48.5 52 52 A I E +ac 6 71A 0 -47,-2.4 -45,-2.4 -2,-0.6 20,-0.2 -0.830 34.0 164.1 -87.2 122.8 9.9 45.6 52.2 53 53 A V E - c 0 72A 0 18,-2.1 20,-2.9 -2,-0.6 2,-0.3 -0.703 40.4 -92.8-128.9 174.8 10.9 42.4 53.9 54 54 A S >> - 0 0 15 -47,-0.5 4,-1.0 -45,-0.2 3,-0.6 -0.681 35.5-116.9 -89.7 155.8 11.9 41.1 57.3 55 55 A S G >4 S+ 0 0 43 18,-0.3 3,-0.8 -2,-0.3 4,-0.5 0.904 117.3 59.5 -57.7 -44.2 15.6 41.0 58.3 56 56 A K G 34 S+ 0 0 140 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.872 113.5 38.4 -41.9 -45.1 15.3 37.2 58.6 57 57 A N G <> S+ 0 0 31 -3,-0.6 4,-1.8 1,-0.2 3,-0.3 0.494 87.3 97.7 -96.0 -6.0 14.3 37.2 54.9 58 58 A K H S+ 0 0 100 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.886 107.8 53.6 -71.4 -43.5 19.3 37.5 52.2 60 60 A Y H > S+ 0 0 65 -3,-0.3 4,-1.9 -4,-0.2 -2,-0.2 0.914 110.7 45.9 -56.0 -51.3 16.8 35.2 50.4 61 61 A F H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.935 111.5 51.3 -60.9 -50.1 15.2 38.1 48.4 62 62 A E H < S+ 0 0 112 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.913 111.3 49.2 -53.4 -44.0 18.5 39.6 47.5 63 63 A K H < S+ 0 0 155 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.861 120.2 34.3 -66.7 -36.8 19.7 36.2 46.2 64 64 A K H < S+ 0 0 115 -4,-1.9 2,-0.8 -3,-0.1 -2,-0.2 0.800 103.4 71.6 -89.9 -35.0 16.6 35.5 44.1 65 65 A L >< - 0 0 11 -4,-3.0 3,-0.7 -5,-0.2 -1,-0.1 -0.759 62.6-161.3 -99.1 110.5 15.5 38.9 42.7 66 66 A K T 3 S+ 0 0 186 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.941 77.2 9.2 -56.2 -71.0 17.8 40.3 40.0 67 67 A E T 3 S+ 0 0 131 2,-0.1 2,-0.3 0, 0.0 -18,-0.3 -0.342 98.4 110.4-115.5 57.8 17.1 44.1 39.7 68 68 A I < - 0 0 18 -3,-0.7 2,-0.5 -2,-0.3 -18,-0.2 -0.955 64.6-118.2-133.3 144.8 14.9 45.0 42.6 69 69 A S E -c 50 0A 61 -20,-2.3 -18,-3.0 -2,-0.3 2,-0.5 -0.721 24.4-157.8 -89.8 128.7 15.5 47.0 45.7 70 70 A I E -c 51 0A 28 -2,-0.5 2,-0.5 -20,-0.2 -18,-0.2 -0.882 11.4-179.9-111.0 130.7 15.2 45.2 49.0 71 71 A V E -c 52 0A 37 -20,-3.1 -18,-2.1 -2,-0.5 2,-0.2 -0.985 21.4-134.6-134.4 122.1 14.5 47.1 52.2 72 72 A T E -c 53 0A 57 -2,-0.5 -18,-0.2 -20,-0.2 2,-0.1 -0.474 27.6-113.6 -77.5 147.8 14.2 45.4 55.6 73 73 A Q - 0 0 17 -20,-2.9 -18,-0.3 -2,-0.2 10,-0.1 -0.424 37.1 -83.9 -83.3 151.3 11.3 46.5 57.8 74 74 A K > - 0 0 95 8,-0.7 3,-0.6 1,-0.1 -1,-0.1 -0.349 37.6-159.3 -46.0 120.4 11.5 48.3 61.2 75 75 A D T 3 S+ 0 0 122 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.830 85.0 66.6 -83.4 -34.6 12.2 45.7 63.8 76 76 A D T 3 S+ 0 0 134 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.537 112.2 37.5 -60.1 -4.3 11.0 47.6 66.8 77 77 A I < - 0 0 55 -3,-0.6 2,-0.3 5,-0.1 104,-0.1 -0.923 64.3-152.8-145.4 163.0 7.5 47.4 65.1 78 78 A K + 0 0 122 102,-0.4 104,-2.0 -2,-0.3 2,-0.3 -0.994 41.6 71.8-141.2 150.0 5.0 45.2 63.1 79 79 A G B S-j 182 0C 18 -2,-0.3 104,-0.2 102,-0.3 -71,-0.1 -0.941 82.6 -74.1 148.1-171.2 2.2 45.8 60.6 80 80 A T S > S+ 0 0 31 102,-0.6 4,-0.8 -2,-0.3 103,-0.2 0.779 131.8 41.8 -86.7 -37.2 1.2 46.9 57.1 81 81 A G T 4 S+ 0 0 0 101,-2.2 102,-0.2 2,-0.2 5,-0.1 0.691 107.1 58.9 -83.7 -23.8 1.9 50.6 58.1 82 82 A A T 4 S+ 0 0 0 100,-1.1 -8,-0.7 2,-0.2 3,-0.2 0.680 100.2 62.4 -73.8 -19.5 5.1 49.8 60.1 83 83 A A T >4 S+ 0 0 2 99,-0.3 3,-0.8 1,-0.2 -2,-0.2 0.907 104.8 43.6 -67.6 -47.0 6.3 48.3 56.7 84 84 A I G >< S+ 0 0 4 -4,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.252 88.0 84.0 -90.5 9.7 6.1 51.8 55.1 85 85 A L G 3 S+ 0 0 70 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.382 96.6 50.6 -72.8 -3.9 7.7 53.3 58.1 86 86 A S G < S+ 0 0 18 -3,-0.8 2,-0.4 -5,-0.1 -2,-0.2 0.168 86.7 127.5-112.1 10.6 10.4 52.0 55.9 87 87 A A < - 0 0 18 -3,-0.7 2,-0.3 1,-0.1 -3,-0.1 -0.586 42.2-166.0 -72.8 126.8 8.9 53.8 52.8 88 88 A K + 0 0 165 -2,-0.4 2,-0.4 2,-0.0 -1,-0.1 -0.524 43.6 118.7-111.4 56.6 11.5 56.0 51.0 89 89 A F - 0 0 13 -2,-0.3 2,-0.3 2,-0.1 4,-0.1 -0.957 39.0-173.5-132.8 147.9 9.2 58.1 48.7 90 90 A N S S+ 0 0 126 -2,-0.4 2,-0.8 2,-0.2 -2,-0.0 -0.727 75.0 10.4-114.5 173.6 8.0 61.6 47.9 91 91 A D S S- 0 0 118 -2,-0.3 74,-2.7 -90,-0.0 2,-0.3 -0.451 121.5 -9.6 58.3-100.3 5.2 62.5 45.5 92 92 A E E - D 0 164A 66 -2,-0.8 -90,-0.7 72,-0.3 2,-0.3 -0.925 53.5-176.8-135.3 148.4 3.5 59.2 44.8 93 93 A A E -bD 2 163A 0 70,-2.6 70,-2.5 -2,-0.3 2,-0.5 -0.996 24.1-134.5-143.2 144.8 3.9 55.4 45.2 94 94 A L E -bD 3 162A 0 -92,-3.4 -90,-3.1 -2,-0.3 2,-0.5 -0.889 28.5-165.2 -88.5 124.5 2.1 52.3 44.2 95 95 A I E +bD 4 161A 2 66,-2.6 66,-3.0 -2,-0.5 2,-0.3 -0.956 10.3 175.7-113.9 124.7 1.8 50.0 47.3 96 96 A I E -bD 5 160A 1 -92,-2.9 -90,-3.1 -2,-0.5 2,-0.3 -0.988 30.7-116.3-129.5 151.1 0.9 46.3 46.9 97 97 A Y E > -b 6 0A 35 62,-1.2 3,-1.3 -2,-0.3 -90,-0.2 -0.624 23.7-129.0 -83.2 138.1 0.6 43.5 49.4 98 98 A G T 3 S+ 0 0 0 -92,-3.9 -91,-0.1 -2,-0.3 -1,-0.1 0.461 99.2 52.9 -70.1 -3.3 3.0 40.7 48.9 99 99 A D T 3 S+ 0 0 19 -93,-0.2 110,-3.4 -66,-0.0 2,-0.4 0.237 81.0 106.6-118.1 17.8 0.5 37.9 49.1 100 100 A L E < -K 208 0D 7 -3,-1.3 2,-0.5 108,-0.2 108,-0.2 -0.762 48.8-160.7 -96.2 140.9 -2.1 38.9 46.5 101 101 A F E +K 207 0D 3 106,-2.5 106,-1.7 -2,-0.4 2,-0.4 -0.987 13.9 178.1-115.7 128.1 -2.5 37.3 43.2 102 102 A F E -K 206 0D 2 -2,-0.5 104,-0.2 104,-0.2 -62,-0.1 -0.975 27.1-142.6-129.3 143.4 -4.3 39.3 40.6 103 103 A S S S+ 0 0 25 102,-2.4 2,-0.4 -2,-0.4 103,-0.1 0.731 80.3 34.1 -76.4 -26.1 -4.9 38.2 37.0 104 104 A N - 0 0 27 101,-0.4 3,-0.4 1,-0.1 4,-0.1 -0.990 49.9-156.9-141.8 145.0 -4.5 41.6 35.4 105 105 A E S >> S+ 0 0 30 -2,-0.4 4,-2.5 1,-0.2 3,-1.1 0.434 70.4 105.6 -89.3 -3.2 -2.5 44.8 35.7 106 106 A K H 3> S+ 0 0 147 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.756 81.1 50.2 -51.0 -27.9 -5.1 46.8 33.8 107 107 A E H 3> S+ 0 0 20 -3,-0.4 4,-2.4 2,-0.2 -1,-0.3 0.826 109.6 49.2 -82.1 -32.3 -6.2 48.4 37.1 108 108 A I H <> S+ 0 0 1 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.947 108.3 52.1 -71.1 -49.1 -2.7 49.3 38.1 109 109 A a H < S+ 0 0 41 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.823 114.0 47.3 -53.3 -27.9 -1.8 50.9 34.8 110 110 A N H >< S+ 0 0 77 -4,-0.6 3,-1.3 -5,-0.4 -2,-0.2 0.941 108.4 51.4 -83.1 -48.1 -5.0 52.9 35.3 111 111 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.817 101.6 61.3 -57.0 -35.5 -4.4 53.9 39.0 112 112 A I T 3< S+ 0 0 30 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.654 93.5 64.5 -74.1 -13.2 -0.9 55.3 38.4 113 113 A T T < S+ 0 0 108 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.3 0.440 86.2 98.4 -86.9 -0.9 -2.2 57.9 35.9 114 114 A L < - 0 0 23 -3,-1.6 4,-0.1 1,-0.1 -3,-0.0 -0.696 59.8-157.3 -96.8 141.3 -4.2 59.6 38.8 115 115 A K S S+ 0 0 175 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.803 76.4 72.7 -81.2 -34.9 -3.1 62.7 40.7 116 116 A E S S- 0 0 54 1,-0.1 2,-0.4 47,-0.0 -2,-0.1 -0.316 98.9 -90.5 -79.3 162.1 -5.3 61.8 43.7 117 117 A N E -e 197 0A 3 79,-0.6 81,-1.7 -2,-0.1 2,-0.3 -0.594 55.4-177.6 -64.6 126.2 -4.9 59.1 46.2 118 118 A A E -eF 198 162A 0 44,-2.5 44,-2.1 -2,-0.4 2,-0.3 -0.851 16.8-162.6-129.6 170.0 -6.7 56.0 44.9 119 119 A I E -eF 199 161A 0 79,-0.9 81,-2.2 -2,-0.3 2,-0.4 -0.995 18.4-126.4-153.5 138.6 -7.5 52.4 46.1 120 120 A I E -e 200 0A 0 40,-1.8 38,-1.9 -2,-0.3 39,-0.4 -0.754 23.6-169.1 -93.3 138.4 -8.6 49.2 44.4 121 121 A G E -eF 201 157A 0 79,-2.7 81,-3.9 -2,-0.4 2,-0.4 -0.980 1.5-164.6-127.8 141.4 -11.7 47.4 45.6 122 122 A V E - F 0 156A 10 34,-1.7 34,-2.8 -2,-0.4 2,-0.8 -0.940 23.3-118.8-127.1 144.3 -12.8 43.9 44.6 123 123 A K E - F 0 155A 127 79,-0.5 2,-0.4 -2,-0.4 32,-0.2 -0.789 33.9-179.1 -89.1 112.2 -16.2 42.2 45.1 124 124 A V - 0 0 20 30,-1.9 2,-0.3 -2,-0.8 -2,-0.0 -0.887 32.2-134.1-107.2 142.4 -15.9 39.0 47.2 125 125 A S S S+ 0 0 120 -2,-0.4 29,-0.1 1,-0.2 -2,-0.0 -0.165 104.1 46.6 -87.9 39.3 -18.8 36.8 48.1 126 126 A N + 0 0 60 -2,-0.3 3,-0.4 28,-0.2 -1,-0.2 -0.128 66.1 166.7-165.8 52.7 -17.7 36.7 51.8 127 127 A P + 0 0 11 0, 0.0 3,-0.3 0, 0.0 20,-0.2 0.369 50.0 93.6 -70.0 10.3 -17.0 40.3 52.7 128 128 A K S S+ 0 0 100 1,-0.2 21,-1.4 21,-0.1 22,-0.3 0.598 86.5 53.2 -41.4 -41.8 -16.8 39.7 56.6 129 129 A D S S+ 0 0 47 -3,-0.4 -1,-0.2 18,-0.3 2,-0.2 -0.342 96.8 42.5-163.7 -46.7 -13.6 39.3 56.3 130 130 A Y S S- 0 0 51 -3,-0.3 2,-0.5 15,-0.2 17,-0.4 -0.302 103.3 -68.3 82.3 117.7 -11.7 41.5 54.9 131 131 A G - 0 0 5 26,-0.2 26,-2.4 -2,-0.2 2,-0.3 -0.659 54.2-138.3 -69.8 122.0 -12.0 45.2 55.4 132 132 A V E -GH 145 156A 0 13,-1.8 13,-1.8 -2,-0.5 2,-0.7 -0.648 13.4-123.9 -89.1 141.4 -15.3 46.3 53.7 133 133 A L E -G 144 0A 1 22,-3.3 2,-0.8 -2,-0.3 22,-0.2 -0.797 14.3-155.6 -97.8 114.0 -15.3 49.6 51.7 134 134 A V E -G 143 0A 50 9,-3.2 8,-3.0 -2,-0.7 9,-1.2 -0.763 15.2-156.6 -84.3 106.5 -17.9 52.2 52.7 135 135 A L E -G 141 0A 64 -2,-0.8 6,-0.2 6,-0.2 9,-0.0 -0.772 8.3-135.8 -90.4 121.1 -18.5 54.4 49.6 136 136 A D > - 0 0 47 4,-1.5 3,-2.5 -2,-0.6 6,-0.1 -0.051 43.0 -78.9 -61.1 172.2 -19.8 58.0 50.1 137 137 A N T 3 S+ 0 0 146 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.606 134.3 43.0 -49.4 -17.2 -22.6 59.5 48.0 138 138 A Q T 3 S- 0 0 144 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.403 116.1-111.0-115.8 -4.1 -20.1 60.1 45.1 139 139 A N S < S+ 0 0 102 -3,-2.5 60,-0.3 1,-0.3 2,-0.2 0.542 78.4 117.4 82.9 13.8 -18.3 56.8 45.3 140 140 A N S S- 0 0 25 58,-0.2 -4,-1.5 1,-0.1 2,-0.4 -0.399 81.6 -61.7 -85.4-178.7 -14.9 57.8 46.6 141 141 A L E +G 135 0A 2 56,-2.5 56,-0.3 -6,-0.2 -6,-0.2 -0.537 48.7 168.6 -82.6 126.2 -13.9 56.4 49.9 142 142 A S E - 0 0 27 -8,-3.0 2,-0.3 -2,-0.4 -7,-0.2 0.885 68.3 -41.3 -85.9 -70.4 -15.9 57.1 53.1 143 143 A K E -G 134 0A 108 -9,-1.2 -9,-3.2 49,-0.0 2,-0.5 -0.947 43.7-124.5-149.8 173.0 -14.3 54.5 55.4 144 144 A I E -G 133 0A 9 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.2 -0.966 22.0-147.8-123.1 114.9 -13.0 50.9 55.6 145 145 A I E -G 132 0A 58 -13,-1.8 -13,-1.8 -2,-0.5 2,-1.2 -0.716 19.3-130.9 -86.4 113.5 -14.5 48.8 58.4 146 146 A E - 0 0 77 -2,-0.7 -15,-0.2 1,-0.2 -17,-0.1 -0.516 69.2 -42.9 -74.2 93.7 -11.9 46.3 59.6 147 147 A K S S+ 0 0 117 -2,-1.2 -18,-0.3 -17,-0.4 -1,-0.2 0.871 72.7 176.8 62.9 52.6 -13.4 42.8 59.7 148 148 A P - 0 0 30 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 0.360 36.5-129.8 -76.8 1.8 -16.8 43.8 61.2 149 149 A E S S+ 0 0 163 -21,-1.4 -21,-0.1 1,-0.1 -20,-0.1 0.333 92.9 80.2 50.0 -3.5 -18.7 40.3 61.2 150 150 A I S S- 0 0 107 -22,-0.3 -1,-0.1 -23,-0.1 -3,-0.0 -0.970 81.8-138.6-112.1 137.9 -21.5 42.2 59.5 151 151 A P + 0 0 61 0, 0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.806 25.8 172.7 -98.1 96.6 -21.1 42.9 55.7 152 152 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.657 74.2 10.0 -64.0 -19.3 -22.2 46.5 54.9 153 153 A S - 0 0 44 -26,-0.1 -19,-0.1 2,-0.1 0, 0.0 -0.974 58.6-132.4-154.4 159.1 -20.8 45.9 51.3 154 154 A N S S+ 0 0 86 -2,-0.3 -30,-1.9 -21,-0.1 2,-0.5 0.614 84.5 98.1 -83.2 -21.5 -19.5 43.3 48.8 155 155 A L E - F 0 123A 12 -22,-0.2 -22,-3.3 -32,-0.2 2,-0.3 -0.605 56.0-179.7 -70.1 117.1 -16.6 45.7 48.0 156 156 A I E -HF 132 122A 0 -34,-2.8 -34,-1.7 -2,-0.5 2,-0.8 -0.771 40.4 -88.0-113.7 161.4 -13.5 44.9 50.0 157 157 A N E - F 0 121A 23 -26,-2.4 -36,-0.2 -2,-0.3 -26,-0.2 -0.599 33.6-163.1 -65.9 107.5 -10.0 46.4 50.2 158 158 A A E - 0 0 0 -38,-1.9 -37,-0.2 -2,-0.8 -1,-0.2 0.486 35.7-121.5 -71.4 -4.1 -8.1 44.7 47.3 159 159 A G E S+ 0 0 4 -39,-0.4 -62,-1.2 1,-0.2 2,-0.5 0.716 73.8 122.3 65.5 25.8 -4.8 45.8 48.9 160 160 A I E -D 96 0A 1 -40,-0.4 -40,-1.8 -64,-0.2 2,-0.3 -0.963 40.1-179.4-114.2 109.4 -3.5 47.8 45.8 161 161 A Y E -DF 95 119A 0 -66,-3.0 -66,-2.6 -2,-0.5 2,-0.4 -0.842 29.2-166.3-113.7 146.1 -2.9 51.5 46.7 162 162 A K E +DF 94 118A 0 -44,-2.1 -44,-2.5 -2,-0.3 2,-0.4 -0.932 33.0 174.1-124.6 104.8 -1.7 54.5 44.8 163 163 A L E -D 93 0A 2 -70,-2.5 -70,-2.6 -2,-0.4 2,-0.2 -0.884 25.3-139.8-122.1 140.9 -0.8 57.0 47.6 164 164 A N E > -D 92 0A 18 -2,-0.4 3,-2.6 -72,-0.2 -72,-0.3 -0.591 43.3 -91.9 -92.3 160.3 0.7 60.4 47.7 165 165 A S T >> S+ 0 0 43 -74,-2.7 3,-1.2 1,-0.3 4,-0.5 0.589 114.1 84.3 -51.4 -11.4 3.3 61.6 50.3 166 166 A D H 3> S+ 0 0 53 -75,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.647 72.7 77.6 -60.8 -18.0 0.3 62.9 52.4 167 167 A I H <> S+ 0 0 2 -3,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.877 83.6 61.2 -61.5 -35.8 -0.0 59.4 53.7 168 168 A F H <> S+ 0 0 52 -3,-1.2 4,-1.2 1,-0.2 3,-0.5 0.874 96.7 59.9 -61.7 -40.0 2.9 60.0 56.1 169 169 A T H >X S+ 0 0 78 -4,-0.5 4,-1.7 1,-0.2 3,-0.8 0.940 109.8 39.9 -48.7 -57.0 1.1 62.8 57.9 170 170 A Y H 3X S+ 0 0 12 -4,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.599 105.3 68.6 -75.1 -11.7 -1.8 60.5 59.0 171 171 A L H 3< S+ 0 0 5 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.803 106.9 38.7 -74.4 -31.7 0.6 57.6 59.7 172 172 A D H << S+ 0 0 129 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.1 0.872 113.9 53.5 -81.0 -44.3 2.0 59.6 62.7 173 173 A K H < S+ 0 0 123 -4,-1.7 2,-0.5 -5,-0.2 -2,-0.2 0.755 93.4 90.9 -63.6 -25.6 -1.4 61.0 63.7 174 174 A I S < S- 0 0 23 -4,-1.2 2,-0.4 -5,-0.1 13,-0.1 -0.632 70.5-148.9 -76.8 119.0 -2.7 57.4 63.8 175 175 A S - 0 0 106 -2,-0.5 2,-0.3 11,-0.1 -2,-0.1 -0.783 29.5-118.5 -89.3 135.9 -2.3 55.7 67.2 176 176 A I + 0 0 65 -2,-0.4 6,-0.2 1,-0.2 -2,-0.0 -0.994 44.0 1.8-150.9 133.5 -1.8 51.9 66.8 177 177 A S + 0 0 30 4,-0.4 -1,-0.2 -2,-0.3 5,-0.1 0.734 4.6 176.3-154.1-170.8 -3.2 49.5 67.5 178 178 A E S S+ 0 0 202 1,-0.2 -2,-0.0 3,-0.2 0, 0.0 0.222 115.9 34.2 -91.6 13.6 -5.6 46.9 68.9 179 179 A R S S- 0 0 160 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.279 118.4-105.9-129.0 -5.6 -3.6 44.0 67.5 180 180 A G S S+ 0 0 37 1,-0.3 2,-0.5 -3,-0.1 -102,-0.4 0.007 84.5 127.2 98.5 -22.4 -0.2 45.6 68.0 181 181 A E - 0 0 30 -104,-0.1 2,-0.9 1,-0.1 -4,-0.4 -0.553 61.5-139.9 -73.8 112.7 -0.1 46.2 64.2 182 182 A L B -j 79 0C 10 -104,-2.0 -101,-2.2 -2,-0.5 -100,-1.1 -0.649 39.3-155.2 -65.1 108.8 0.5 49.7 63.0 183 183 A E > - 0 0 32 -2,-0.9 4,-0.6 -103,-0.2 -9,-0.1 -0.549 27.1-146.5 -97.2 155.5 -2.0 49.5 60.2 184 184 A L H >> S+ 0 0 0 -2,-0.2 4,-1.6 2,-0.2 3,-1.5 0.960 95.3 61.7 -78.4 -57.8 -2.3 51.3 56.9 185 185 A T H 3> S+ 0 0 10 1,-0.3 4,-1.4 2,-0.2 -41,-0.2 0.717 97.7 60.3 -41.5 -35.0 -6.1 51.4 56.6 186 186 A D H 3> S+ 0 0 39 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.940 108.3 43.0 -57.5 -52.0 -6.3 53.5 59.8 187 187 A A H X S+ 0 0 57 -4,-1.2 3,-1.3 2,-0.2 4,-1.1 0.889 114.8 52.4 -68.8 -44.4 -8.4 59.9 58.4 191 191 A M H 3X S+ 0 0 0 -4,-1.8 4,-3.7 1,-0.3 -2,-0.2 0.866 99.8 62.8 -59.6 -38.9 -7.0 61.0 55.1 192 192 A A H 3< S+ 0 0 13 -4,-1.8 -1,-0.3 1,-0.2 5,-0.2 0.668 100.0 56.0 -62.1 -18.4 -10.3 60.0 53.4 193 193 A K H <4 S+ 0 0 108 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.902 122.9 22.6 -78.6 -44.5 -12.0 62.6 55.5 194 194 A D H < S+ 0 0 107 -4,-1.1 2,-0.3 -3,-0.2 -2,-0.2 0.921 126.0 50.7 -83.8 -53.8 -9.8 65.5 54.3 195 195 A H S < S- 0 0 67 -4,-3.7 2,-0.6 -5,-0.2 -1,-0.1 -0.610 83.8-117.6 -94.9 147.6 -8.6 64.0 51.0 196 196 A R - 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