==== 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 HYDROLASE 16-JUN-03 1UG9 . COMPND 2 MOLECULE: GLUCODEXTRANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR M.MIZUNO,T.TONOZUKA,S.SUZUKI,R.UOTSU-TOMITA,A.OHTAKI,S.KAMIT . 1019 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 241 23.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 82 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.3 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 2 1 3 1 1 1 0 1 1 1 4 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 15 6 5 3 6 6 2 3 3 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 . 4 4 1 1 1 1 0 2 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 2 A T 0 0 167 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.1 42.0 24.2 -24.6 2 3 A A - 0 0 92 1,-0.0 203,-0.0 0, 0.0 0, 0.0 -0.499 360.0-157.1 -71.9 133.6 44.4 21.2 -24.2 3 4 A E - 0 0 69 -2,-0.2 203,-0.1 200,-0.0 3,-0.1 -0.876 20.7-112.0-116.4 143.5 44.5 19.8 -20.7 4 5 A P > - 0 0 9 0, 0.0 3,-0.6 0, 0.0 203,-0.2 -0.412 55.5 -88.6 -65.9 151.6 47.2 17.8 -18.9 5 6 A P T 3 S+ 0 0 90 0, 0.0 178,-0.6 0, 0.0 182,-0.2 -0.205 98.8 60.9 -63.3 150.9 45.9 14.2 -18.3 6 7 A G T > S- 0 0 27 1,-0.3 3,-2.0 180,-0.1 176,-0.0 0.253 71.7-162.6 121.9 -14.0 44.0 13.2 -15.3 7 8 A S T < S+ 0 0 80 -3,-0.6 -1,-0.3 1,-0.3 202,-0.1 -0.107 71.3 20.7 -46.1 140.1 40.8 15.2 -15.2 8 9 A P T 3 S- 0 0 89 0, 0.0 202,-2.7 0, 0.0 -1,-0.3 -0.987 104.9-126.2 -86.6 3.5 38.9 15.7 -13.0 9 10 A G < - 0 0 17 -3,-2.0 176,-0.2 200,-0.2 202,-0.1 0.001 35.2 -60.5 103.5 146.9 41.7 14.8 -10.5 10 11 A A - 0 0 43 174,-2.7 174,-0.1 200,-0.3 175,-0.1 -0.139 57.0 -93.8 -64.0 153.4 41.7 12.2 -7.7 11 12 A A - 0 0 91 1,-0.1 2,-0.3 174,-0.0 -1,-0.1 -0.395 52.4-156.2 -61.9 142.0 39.5 12.2 -4.6 12 13 A A - 0 0 11 -3,-0.1 306,-2.6 -2,-0.0 307,-0.4 -0.876 15.5-156.5-128.9 162.0 41.2 14.0 -1.8 13 14 A T B -A 317 0A 42 -2,-0.3 304,-0.2 304,-0.3 301,-0.2 -0.645 25.7-106.1-122.8 176.6 41.3 14.2 1.9 14 15 A W - 0 0 5 302,-2.0 2,-0.2 299,-1.5 -1,-0.2 -0.106 46.3 -79.3 -91.0-161.0 42.3 16.9 4.4 15 16 A T - 0 0 17 1,-0.1 298,-0.5 299,-0.1 295,-0.3 -0.682 49.9 -76.3-109.8 157.9 45.4 16.9 6.6 16 17 A K - 0 0 62 297,-0.3 -1,-0.1 -2,-0.2 632,-0.1 -0.182 41.3-137.0 -44.0 129.7 46.6 15.3 9.9 17 18 A G S S+ 0 0 0 630,-0.3 633,-2.2 631,-0.2 2,-1.1 0.727 83.2 88.2 -67.5 -24.7 44.8 17.2 12.7 18 19 A D B -b 650 0B 20 629,-1.4 2,-0.4 631,-0.3 -1,-0.1 -0.661 70.0-159.2 -80.9 99.7 47.9 17.3 14.9 19 20 A K - 0 0 0 631,-3.3 18,-0.3 -2,-1.1 601,-0.2 -0.673 18.7-148.7 -86.0 130.8 49.7 20.5 13.7 20 21 A E S S- 0 0 36 16,-2.2 2,-0.3 -2,-0.4 604,-0.2 0.723 81.5 -22.8 -66.1 -22.8 53.4 20.9 14.4 21 22 A G E -C 36 0C 0 15,-0.7 15,-2.0 629,-0.1 2,-0.3 -0.943 59.6-152.3-178.3 161.7 52.8 24.6 14.6 22 23 A V E +C 35 0C 0 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.928 16.5 180.0-141.8 164.1 50.4 27.4 13.5 23 24 A G E +C 34 0C 0 11,-1.9 11,-2.5 -2,-0.3 2,-0.3 -0.972 16.5 162.3-170.5 153.1 50.7 31.0 12.9 24 25 A T - 0 0 1 -2,-0.3 62,-0.2 9,-0.2 9,-0.1 -0.945 43.3 -96.1-162.7 157.8 49.1 34.3 11.9 25 26 A S - 0 0 1 7,-0.5 234,-0.1 -2,-0.3 83,-0.1 -0.460 23.5-129.0 -79.5 157.6 50.2 38.0 12.2 26 27 A L S S+ 0 0 48 233,-0.3 -1,-0.1 -2,-0.1 233,-0.1 0.848 90.1 90.9 -71.9 -32.6 48.8 40.1 15.1 27 28 A N S > S- 0 0 44 1,-0.1 3,-1.0 232,-0.1 -2,-0.2 -0.425 72.7-147.8 -65.2 127.3 47.8 42.6 12.4 28 29 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.533 88.3 80.3 -75.7 -5.7 44.3 42.1 11.1 29 30 A A T 3 S+ 0 0 44 80,-0.4 2,-0.9 1,-0.1 83,-0.3 0.783 81.9 71.0 -69.9 -26.3 45.3 43.4 7.6 30 31 A S < - 0 0 0 -3,-1.0 2,-1.0 79,-0.5 -5,-0.2 -0.817 66.1-170.0 -94.9 103.5 46.8 39.9 6.9 31 32 A K + 0 0 50 -2,-0.9 2,-0.4 202,-0.1 81,-0.1 -0.268 49.3 113.2 -89.5 51.0 43.8 37.5 6.5 32 33 A V + 0 0 0 -2,-1.0 -7,-0.5 14,-0.1 2,-0.4 -0.982 39.3 179.2-132.8 132.0 46.1 34.5 6.5 33 34 A W E - D 0 45C 0 12,-1.8 12,-2.6 -2,-0.4 2,-0.3 -0.994 13.6-162.4-129.7 123.3 46.6 31.6 9.0 34 35 A Y E -CD 23 44C 0 -11,-2.5 -11,-1.9 -2,-0.4 2,-0.3 -0.781 4.6-168.6-110.2 152.2 49.1 28.8 8.3 35 36 A T E -C 22 0C 0 8,-0.7 7,-2.3 -2,-0.3 2,-0.3 -0.954 8.0-148.1-134.4 153.9 49.4 25.3 9.8 36 37 A L E +CD 21 41C 0 -15,-2.0 -16,-2.2 -2,-0.3 -15,-0.7 -0.938 20.9 157.3-126.5 147.2 52.1 22.6 9.7 37 38 A T E > + D 0 40C 1 3,-2.0 3,-2.5 -2,-0.3 -18,-0.1 -0.950 62.8 7.9-164.5 147.9 52.2 18.8 9.7 38 39 A E T 3 S- 0 0 79 -2,-0.3 3,-0.1 1,-0.3 -19,-0.1 0.697 127.3 -58.5 53.3 24.0 54.4 15.9 8.6 39 40 A G T 3 S+ 0 0 2 1,-0.3 -1,-0.3 19,-0.0 2,-0.2 0.595 121.5 91.6 84.4 10.1 57.2 18.3 7.8 40 41 A T E < S-D 37 0C 5 -3,-2.5 -3,-2.0 18,-0.1 2,-0.6 -0.715 85.3 -97.5-126.7 176.0 55.0 20.2 5.3 41 42 A M E -DE 36 57C 3 16,-2.0 16,-1.4 -2,-0.2 -5,-0.3 -0.886 46.2-178.0 -97.2 125.5 52.7 23.2 5.2 42 43 A S E - 0 0 0 -7,-2.3 13,-0.2 -2,-0.6 -7,-0.2 0.265 47.0 -0.1 -96.4-135.7 49.2 22.0 5.6 43 44 A E E - 0 0 0 12,-0.2 -8,-0.7 -9,-0.1 2,-0.5 -0.266 55.8-165.1 -59.4 134.3 45.9 24.0 5.6 44 45 A V E -D 34 0C 0 -10,-0.2 9,-1.3 -3,-0.1 -10,-0.2 -0.991 16.7-142.3-120.3 118.4 46.3 27.8 5.2 45 46 A Y E -DF 33 52C 0 -12,-2.6 -12,-1.8 -2,-0.5 4,-0.1 -0.567 21.3-159.4 -86.1 148.3 43.1 29.6 6.1 46 47 A Y - 0 0 16 5,-2.2 93,-0.2 2,-0.5 -14,-0.1 -0.806 55.9 -11.6 177.4 142.2 41.8 32.7 4.3 47 48 A P S S+ 0 0 21 0, 0.0 2,-0.3 0, 0.0 251,-0.3 -0.974 129.9 26.9 -91.7 2.0 40.1 35.1 4.3 48 49 A H S > S- 0 0 20 3,-0.2 3,-2.0 250,-0.1 -2,-0.5 -0.901 78.2-117.5-120.7 151.2 38.4 33.9 7.5 49 50 A A T 3 S+ 0 0 0 -2,-0.3 258,-0.1 1,-0.3 -4,-0.0 0.574 114.5 62.6 -62.8 -5.2 39.7 31.6 10.2 50 51 A D T 3 S+ 0 0 17 1,-0.1 -1,-0.3 258,-0.1 276,-0.1 0.181 88.6 76.1-106.0 15.8 36.9 29.3 9.1 51 52 A T < - 0 0 13 -3,-2.0 -5,-2.2 276,-0.0 2,-0.2 -0.856 59.6-163.0-134.4 102.7 38.0 28.6 5.6 52 53 A P B +F 45 0C 4 0, 0.0 88,-2.0 0, 0.0 -7,-0.2 -0.534 12.6 172.2 -78.8 146.6 40.9 26.2 4.7 53 54 A N + 0 0 0 -9,-1.3 84,-3.1 86,-0.2 2,-0.3 0.435 52.8 60.3-133.7 -4.0 42.4 26.5 1.2 54 55 A T E - G 0 136C 4 82,-0.3 3,-0.1 83,-0.2 -11,-0.1 -0.849 39.8-178.5-129.5 160.9 45.4 24.3 1.1 55 56 A R E S- 0 0 51 80,-1.6 2,-0.3 -2,-0.3 -12,-0.2 0.640 71.7 -9.6-120.2 -56.9 46.4 20.6 1.6 56 57 A E E + G 0 135C 31 79,-1.7 79,-2.9 -14,-0.1 2,-0.4 -0.987 44.3 179.2-154.2 138.8 50.1 20.4 1.2 57 58 A L E +EG 41 134C 4 -16,-1.4 -16,-2.0 -2,-0.3 2,-0.3 -0.957 32.6 130.0-139.2 115.5 53.1 22.4 0.2 58 59 A Q E - G 0 133C 0 75,-1.9 75,-3.7 -2,-0.4 2,-0.3 -0.870 48.4 -93.2-150.7-177.1 56.6 20.8 0.3 59 60 A F E - G 0 132C 2 -2,-0.3 11,-1.6 73,-0.2 2,-0.4 -0.786 18.7-159.1-113.1 153.1 59.7 20.3 -1.7 60 61 A A E -HG 69 131C 0 71,-2.4 71,-2.6 -2,-0.3 2,-0.4 -0.974 9.5-163.8-125.2 138.3 60.9 17.5 -4.0 61 62 A V E -HG 68 130C 5 7,-1.9 7,-2.9 -2,-0.4 2,-0.3 -0.980 7.7-170.9-125.1 139.1 64.5 17.1 -4.9 62 63 A S E -HG 67 129C 2 67,-2.3 67,-2.5 -2,-0.4 5,-0.2 -0.916 29.2-152.1-129.4 155.7 65.8 15.0 -7.7 63 64 A D - 0 0 60 3,-2.3 4,-0.1 -2,-0.3 -1,-0.1 0.305 66.4 -94.3-103.1 3.0 69.2 13.7 -8.9 64 65 A G S S+ 0 0 36 2,-0.5 3,-0.1 133,-0.3 64,-0.1 0.177 121.4 42.7 103.9 -15.4 67.8 13.7 -12.5 65 66 A T S S+ 0 0 103 1,-0.5 2,-0.3 133,-0.0 133,-0.2 0.599 117.6 33.3-126.5 -41.3 66.8 10.0 -12.4 66 67 A S - 0 0 71 131,-0.2 -3,-2.3 130,-0.0 -2,-0.5 -0.918 67.6-161.4-121.1 148.4 65.2 9.5 -8.9 67 68 A A E -H 62 0C 13 -2,-0.3 2,-0.3 127,-0.3 -5,-0.3 -0.955 3.9-164.4-131.2 150.0 63.2 12.1 -7.0 68 69 A Q E -H 61 0C 51 -7,-2.9 -7,-1.9 -2,-0.3 2,-0.4 -0.927 14.4-138.6-133.9 158.0 62.2 12.4 -3.3 69 70 A R E > -H 60 0C 59 -2,-0.3 3,-1.3 -9,-0.2 4,-0.2 -0.872 19.6-134.4-110.2 146.5 59.8 14.2 -1.1 70 71 A E G > S+ 0 0 2 -11,-1.6 3,-1.6 -2,-0.4 23,-0.1 0.804 103.5 71.1 -71.2 -24.4 60.9 15.6 2.2 71 72 A S G 3 S+ 0 0 27 -12,-0.3 -1,-0.3 1,-0.3 -31,-0.1 0.588 100.1 48.5 -66.0 -9.3 57.7 14.2 3.8 72 73 A E G < S+ 0 0 91 -3,-1.3 2,-0.7 3,-0.1 -1,-0.3 0.443 81.8 106.5-109.3 -4.7 59.4 10.8 3.3 73 74 A Q < - 0 0 2 -3,-1.6 20,-0.1 -4,-0.2 21,-0.1 -0.684 64.8-146.9 -78.4 116.2 62.8 11.6 4.7 74 75 A T S S+ 0 0 123 -2,-0.7 2,-0.8 1,-0.2 -1,-0.2 0.773 83.9 68.1 -54.0 -27.7 62.8 9.9 8.1 75 76 A T E +K 93 0D 61 18,-0.6 18,-2.5 -3,-0.0 2,-0.3 -0.800 63.6 125.2-106.0 100.1 64.9 12.7 9.5 76 77 A R E -K 92 0D 70 -2,-0.8 2,-0.3 16,-0.2 16,-0.2 -0.989 34.6-155.8-150.6 141.6 63.2 16.0 9.9 77 78 A T E -K 91 0D 72 14,-1.8 14,-2.5 -2,-0.3 2,-0.4 -0.805 5.7-156.8-121.0 160.5 62.7 18.4 12.8 78 79 A V E +K 90 0D 25 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.989 21.8 157.1-133.0 140.5 60.3 21.2 13.9 79 80 A E E -K 89 0D 75 10,-1.2 10,-2.9 -2,-0.4 2,-0.4 -0.968 46.5-103.8-160.9 145.1 61.1 24.0 16.3 80 81 A L E -K 88 0D 30 541,-0.5 8,-0.3 -2,-0.3 6,-0.1 -0.636 27.6-148.6 -75.7 132.5 59.7 27.4 17.0 81 82 A A S S+ 0 0 38 6,-3.0 7,-0.2 -2,-0.4 -1,-0.1 0.575 80.9 31.7 -77.7 -12.4 62.2 29.9 15.5 82 83 A D > - 0 0 38 5,-0.7 3,-1.8 3,-0.5 5,-0.3 -0.939 67.5-143.4-149.9 122.0 61.5 32.6 18.1 83 84 A P T 3 S+ 0 0 75 0, 0.0 203,-0.1 0, 0.0 204,-0.1 0.578 105.5 42.3 -61.7 -6.3 60.5 32.1 21.8 84 85 A K T 3 S+ 0 0 52 1,-0.1 2,-0.3 3,-0.0 183,-0.2 0.106 111.4 53.2-128.0 21.6 58.2 35.2 21.4 85 86 A A S < S- 0 0 0 -3,-1.8 2,-1.8 2,-0.1 -3,-0.5 -0.991 80.8-113.1-154.3 151.0 56.6 34.7 18.0 86 87 A L + 0 0 0 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.1 -0.522 69.5 128.7 -85.4 69.4 54.6 32.1 16.1 87 88 A S - 0 0 2 -2,-1.8 -6,-3.0 -5,-0.3 -5,-0.7 -0.997 39.2-164.5-125.8 124.7 57.3 31.4 13.6 88 89 A Y E -K 80 0D 0 -2,-0.4 17,-3.0 17,-0.3 2,-0.5 -0.811 11.1-150.7-115.4 154.4 58.4 27.8 13.0 89 90 A R E -KL 79 104D 75 -10,-2.9 -10,-1.2 -2,-0.3 2,-0.4 -0.974 8.3-167.3-126.4 119.2 61.3 26.2 11.3 90 91 A Q E -KL 78 103D 1 13,-2.8 13,-3.3 -2,-0.5 2,-0.4 -0.850 6.4-163.5-103.6 141.2 61.1 22.8 9.7 91 92 A T E -KL 77 102D 19 -14,-2.5 -14,-1.8 -2,-0.4 2,-0.4 -0.992 3.9-169.6-128.5 129.9 64.3 21.0 8.7 92 93 A T E -KL 76 101D 0 9,-3.1 9,-3.1 -2,-0.4 2,-0.4 -0.974 1.9-171.8-122.6 130.4 64.6 18.1 6.3 93 94 A T E -KL 75 100D 30 -18,-2.5 -18,-0.6 -2,-0.4 7,-0.2 -0.975 31.3-107.3-124.1 134.1 67.7 15.9 5.8 94 95 A D > - 0 0 2 5,-2.3 3,-3.3 -2,-0.4 -24,-0.0 -0.255 25.3-123.6 -55.9 136.9 68.2 13.3 3.1 95 96 A N T 3 S+ 0 0 75 1,-0.3 -1,-0.2 2,-0.1 -22,-0.0 0.718 119.3 41.9 -55.3 -19.0 68.1 9.7 4.4 96 97 A A T 3 S- 0 0 67 3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.028 114.6-120.2-114.7 22.5 71.5 9.5 2.8 97 98 A G S < S+ 0 0 36 -3,-3.3 -2,-0.1 1,-0.1 3,-0.1 0.714 73.7 129.2 45.2 32.7 72.6 12.9 4.0 98 99 A R S S+ 0 0 56 1,-0.2 25,-3.3 24,-0.1 26,-0.7 0.765 74.1 9.5 -84.8 -26.2 73.2 14.2 0.5 99 100 A W E - M 0 122D 2 23,-0.3 -5,-2.3 24,-0.2 2,-0.3 -0.958 60.7-151.7-147.3 165.9 71.1 17.4 1.0 100 101 A R E -LM 93 121D 81 21,-2.2 21,-2.9 -2,-0.3 2,-0.4 -0.987 5.5-160.8-145.8 131.4 69.4 19.4 3.7 101 102 A L E -LM 92 120D 2 -9,-3.1 -9,-3.1 -2,-0.3 2,-0.5 -0.928 4.2-169.4-113.8 135.1 66.4 21.8 3.5 102 103 A T E -LM 91 119D 26 17,-2.2 17,-1.9 -2,-0.4 2,-0.4 -0.982 6.2-176.2-127.2 121.8 65.5 24.4 6.1 103 104 A K E -LM 90 118D 0 -13,-3.3 -13,-2.8 -2,-0.5 2,-0.5 -0.960 6.5-170.9-121.7 132.0 62.2 26.2 6.0 104 105 A T E -LM 89 117D 27 13,-1.8 13,-2.6 -2,-0.4 2,-0.3 -0.985 14.6-147.1-123.9 124.7 61.1 29.0 8.3 105 106 A Y E + M 0 116D 0 -17,-3.0 -17,-0.3 -2,-0.5 2,-0.3 -0.669 30.8 139.7 -96.3 147.5 57.4 30.2 8.3 106 107 A V E - M 0 115D 0 9,-1.7 9,-2.8 -2,-0.3 2,-0.3 -0.926 35.0-130.2-166.2 169.9 56.1 33.7 8.8 107 108 A T E - M 0 114D 0 -2,-0.3 7,-0.2 7,-0.3 5,-0.1 -0.964 27.9-103.9-135.1 155.4 53.3 35.8 7.3 108 109 A D > - 0 0 4 5,-2.2 3,-1.0 -2,-0.3 5,-0.5 -0.689 26.6-154.8 -79.7 109.7 53.3 39.4 6.0 109 110 A P T 3 S+ 0 0 0 0, 0.0 -79,-0.5 0, 0.0 -80,-0.4 0.723 90.4 51.4 -57.4 -21.8 51.5 41.4 8.7 110 111 A R T 3 S+ 0 0 152 -81,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.692 119.1 15.5 -91.7 -18.8 50.4 44.0 6.2 111 112 A R S < S- 0 0 48 -3,-1.0 2,-2.0 2,-0.1 -3,-0.2 -0.960 91.2 -82.3-150.1 165.2 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58.4 31.9 -1.4 230 231 A A E -NR 115 171D 0 -59,-2.1 -59,-2.2 -2,-0.4 2,-0.8 -0.980 2.6-167.8-128.9 116.3 55.4 34.1 -1.1 231 232 A L E -NR 114 170D 8 -117,-2.9 -117,-2.5 -2,-0.5 2,-0.3 -0.901 18.5-169.7-105.7 102.3 52.0 32.5 -1.2 232 233 A G E -NR 113 169D 0 -63,-2.4 -63,-1.5 -2,-0.8 2,-0.3 -0.661 9.1-153.4 -96.9 151.8 49.5 35.4 -1.6 233 234 A F E + R 0 168D 0 -121,-2.5 2,-0.3 -2,-0.3 -121,-0.2 -0.919 22.3 150.9-123.2 146.8 45.7 35.3 -1.3 234 235 A G E - R 0 167D 0 -67,-1.8 -67,-1.3 -2,-0.3 3,-0.0 -0.947 58.2 -97.6-160.4 174.6 43.1 37.5 -2.9 235 236 A A S S+ 0 0 39 -2,-0.3 2,-0.3 -69,-0.2 -67,-0.1 0.726 109.4 15.0 -73.4 -21.0 39.5 37.6 -4.1 236 237 A D S > S- 0 0 76 -69,-0.1 4,-2.4 -71,-0.1 -69,-0.2 -0.914 87.5 -97.2-145.9 170.7 40.9 37.1 -7.6 237 238 A T H > S+ 0 0 44 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.830 118.5 52.7 -59.5 -38.4 44.1 36.1 -9.5 238 239 A A H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.942 112.1 44.6 -65.1 -48.2 45.2 39.6 -10.1 239 240 A E H > S+ 0 0 82 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.933 112.4 51.5 -61.5 -48.7 45.0 40.6 -6.4 240 241 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -71,-0.3 0.905 113.0 46.0 -55.6 -44.6 46.6 37.5 -5.2 241 242 A L H X S+ 0 0 23 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.957 113.4 48.1 -63.9 -52.0 49.6 38.0 -7.6 242 243 A A H X S+ 0 0 58 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.908 113.2 48.7 -55.9 -45.3 49.9 41.7 -6.7 243 244 A T H X S+ 0 0 20 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.910 110.7 48.4 -63.2 -45.1 49.8 40.9 -3.0 244 245 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.884 111.8 51.5 -63.8 -36.9 52.4 38.2 -3.2 245 246 A K H X S+ 0 0 89 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.899 104.6 55.2 -66.8 -41.7 54.7 40.4 -5.2 246 247 A A H X S+ 0 0 37 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.924 107.2 51.8 -57.2 -44.2 54.4 43.3 -2.7 247 248 A S H >X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 3,-0.6 0.929 110.7 45.9 -58.7 -48.0 55.6 40.9 0.1 248 249 A L H 3< S+ 0 0 38 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 107.2 61.0 -65.5 -27.5 58.6 39.8 -2.0 249 250 A G H 3< S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.833 109.7 40.0 -66.7 -32.6 59.2 43.5 -2.7 250 251 A T H << S- 0 0 37 -4,-1.4 4,-0.3 -3,-0.6 -2,-0.2 0.824 115.7-132.7 -82.1 -36.7 59.6 44.1 1.1 251 252 A G X - 0 0 22 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.150 13.1 -89.6 97.4 148.1 61.6 40.9 1.4 252 253 A Y H > S+ 0 0 20 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.953 120.4 50.6 -55.4 -59.6 61.6 37.9 3.8 253 254 A K H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 114.7 44.2 -47.0 -51.3 64.0 39.3 6.4 254 255 A K H > S+ 0 0 112 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.954 116.9 44.1 -60.7 -53.4 62.1 42.6 6.7 255 256 A V H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.917 113.0 54.4 -57.9 -43.8 58.6 40.9 6.8 256 257 A S H X S+ 0 0 20 -4,-3.8 4,-3.0 -5,-0.3 5,-0.3 0.951 108.7 46.0 -54.7 -56.3 59.9 38.3 9.2 257 258 A K H X S+ 0 0 132 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.914 113.6 50.9 -52.9 -47.5 61.2 40.9 11.7 258 259 A S H X S+ 0 0 50 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.871 111.8 46.6 -59.4 -40.3 57.9 42.8 11.4 259 260 A Y H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -233,-0.3 0.949 116.8 42.9 -68.2 -50.0 55.9 39.6 12.1 260 261 A T H X S+ 0 0 18 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.874 111.2 57.5 -63.5 -39.2 58.0 38.6 15.0 261 262 A G H X S+ 0 0 34 -4,-3.2 4,-2.4 -5,-0.3 5,-0.2 0.905 101.7 53.9 -60.0 -44.5 58.1 42.1 16.3 262 263 A E H X S+ 0 0 45 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.922 112.0 44.3 -57.9 -45.9 54.3 42.4 16.5 263 264 A W H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.908 110.3 54.5 -66.0 -42.1 54.0 39.3 18.7 264 265 A K H X S+ 0 0 113 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.919 112.0 45.3 -57.3 -44.5 56.9 40.3 20.9 265 266 A K H X S+ 0 0 162 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.920 110.9 52.9 -65.8 -45.7 55.2 43.6 21.6 266 267 A Y H >X S+ 0 0 23 -4,-2.4 3,-0.9 -5,-0.2 4,-0.8 0.964 113.9 41.9 -54.8 -55.9 51.8 42.0 22.2 267 268 A L H >< S+ 0 0 14 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.941 113.8 52.2 -56.5 -51.1 53.2 39.6 24.8 268 269 A N H 3< S+ 0 0 144 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.659 106.8 54.2 -63.0 -16.8 55.4 42.2 26.4 269 270 A S H << S+ 0 0 85 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.643 97.7 81.4 -91.1 -15.8 52.4 44.5 26.8 270 271 A L S << S- 0 0 22 -3,-1.3 74,-0.2 -4,-0.8 73,-0.1 -0.408 99.5 -63.2 -89.4 166.1 50.3 42.0 28.6 271 272 A D - 0 0 87 72,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.121 57.3-111.1 -48.8 134.0 50.3 41.0 32.3 272 273 A A - 0 0 60 -3,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.540 37.0-122.9 -71.1 126.3 53.6 39.5 33.4 273 274 A P - 0 0 20 0, 0.0 391,-0.1 0, 0.0 -1,-0.1 -0.147 42.9 -65.3 -67.2 164.6 53.2 35.7 34.2 274 275 A A > - 0 0 10 389,-0.3 3,-1.4 1,-0.2 393,-0.1 -0.200 38.4-137.8 -51.5 134.1 54.0 34.1 37.5 275 276 A T T 3 S+ 0 0 149 1,-0.3 -1,-0.2 -3,-0.1 7,-0.1 0.780 99.2 72.7 -66.0 -26.0 57.7 34.2 38.3 276 277 A S T 3 S+ 0 0 67 390,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.393 70.3 111.5 -71.6 4.3 57.4 30.6 39.5 277 278 A L < - 0 0 15 -3,-1.4 5,-0.1 -4,-0.1 332,-0.0 -0.727 67.7-133.8 -84.7 117.3 57.0 29.4 35.9 278 279 A T > - 0 0 69 -2,-0.7 4,-1.8 1,-0.1 5,-0.2 -0.016 33.5 -92.2 -57.2 171.3 60.1 27.4 34.8 279 280 A G H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.939 127.3 43.7 -53.2 -52.6 61.6 28.2 31.4 280 281 A A H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 112.7 52.0 -63.4 -37.4 59.6 25.6 29.6 281 282 A L H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.773 110.8 49.5 -71.8 -24.2 56.3 26.5 31.4 282 283 A R H X S+ 0 0 77 -4,-1.8 4,-2.8 -3,-0.4 -2,-0.2 0.907 110.5 47.7 -78.7 -45.1 56.9 30.1 30.4 283 284 A T H X S+ 0 0 29 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.904 112.3 51.3 -61.9 -39.2 57.5 29.4 26.7 284 285 A Q H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.931 109.8 50.3 -61.6 -45.2 54.4 27.2 26.8 285 286 A Y H X S+ 0 0 8 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.927 112.0 47.3 -57.0 -48.5 52.5 30.1 28.3 286 287 A D H X S+ 0 0 4 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.923 115.7 43.1 -62.4 -46.4 53.7 32.4 25.6 287 288 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.890 114.3 50.6 -68.2 -39.3 53.0 30.1 22.7 288 289 A S H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.889 111.1 50.1 -65.5 -36.9 49.6 29.1 24.2 289 290 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.952 112.2 45.1 -64.8 -52.4 48.7 32.8 24.6 290 291 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.891 112.1 54.0 -59.2 -39.4 49.6 33.7 21.0 291 292 A T H X S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.906 107.2 49.2 -63.3 -43.5 47.8 30.7 19.7 292 293 A V H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.914 112.6 48.4 -61.9 -42.1 44.6 31.6 21.5 293 294 A K H >< S+ 0 0 19 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.850 105.1 60.2 -65.4 -35.0 44.9 35.2 20.1 294 295 A S H 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.603 92.0 67.5 -70.1 -11.6 45.5 33.6 16.7 295 296 A H T << S+ 0 0 0 -3,-1.1 10,-2.4 -4,-0.5 2,-0.4 0.410 78.9 101.4 -89.1 3.1 42.1 31.9 16.8 296 297 A E B < S-S 304 0E 11 -3,-1.5 8,-0.2 8,-0.2 -3,-0.0 -0.734 77.6-120.8 -88.7 133.7 40.4 35.3 16.6 297 298 A D - 0 0 2 6,-3.0 5,-0.4 -2,-0.4 6,-0.2 -0.321 10.5-150.8 -70.3 157.1 39.1 36.2 13.1 298 299 A K S S+ 0 0 28 -251,-0.3 -1,-0.1 3,-0.1 -250,-0.1 0.706 94.2 48.6 -99.5 -28.1 40.3 39.4 11.4 299 300 A T S S+ 0 0 61 1,-0.3 -251,-0.1 -252,-0.2 -1,-0.1 0.798 123.4 33.0 -81.7 -31.0 37.2 40.2 9.4 300 301 A F S > S- 0 0 41 3,-0.1 3,-2.0 0, 0.0 -3,-0.4 -0.692 87.9-154.8-124.8 74.7 34.9 39.8 12.4 301 302 A P T 3 S+ 0 0 70 0, 0.0 -3,-0.1 0, 0.0 54,-0.1 -0.254 80.0 35.9 -52.4 133.5 37.0 41.0 15.4 302 303 A G T 3 S+ 0 0 0 -5,-0.4 2,-0.5 1,-0.3 54,-0.2 0.194 90.7 111.5 105.6 -14.0 35.7 39.3 18.5 303 304 A A < - 0 0 0 -3,-2.0 -6,-3.0 -6,-0.2 2,-0.5 -0.816 48.1-166.0 -96.7 131.1 34.9 36.0 16.9 304 305 A F B -S 296 0E 1 -2,-0.5 25,-0.5 -8,-0.2 -8,-0.2 -0.956 10.2-146.4-119.9 125.0 37.0 33.0 17.8 305 306 A I - 0 0 1 -10,-2.4 23,-0.3 -2,-0.5 3,-0.2 -0.562 23.0-122.8 -83.9 155.1 37.0 29.7 15.9 306 307 A A S S- 0 0 4 21,-2.9 347,-1.6 19,-0.5 348,-0.4 0.895 81.7 -15.5 -63.2 -45.4 37.5 26.5 18.0 307 308 A S - 0 0 0 18,-1.6 2,-2.8 20,-0.2 18,-0.2 -0.893 51.9-124.9-167.8 135.5 40.6 25.2 16.2 308 309 A L S S+ 0 0 1 -2,-0.3 2,-0.3 -3,-0.2 -265,-0.1 -0.243 87.1 76.7 -73.5 53.0 42.6 25.8 13.0 309 310 A T S S- 0 0 0 -2,-2.8 16,-2.0 340,-0.1 17,-0.5 -0.930 71.6-128.3-155.1 175.2 42.3 22.1 12.2 310 311 A I > - 0 0 2 -295,-0.3 3,-1.7 -2,-0.3 4,-0.1 -0.959 38.2-121.0-133.1 110.3 40.2 19.1 11.1 311 312 A P T 3 S- 0 0 24 0, 0.0 338,-0.2 0, 0.0 4,-0.1 -0.262 95.5 -1.6 -55.3 132.4 40.2 16.1 13.4 312 313 A W T > S+ 0 0 14 336,-1.7 3,-2.4 335,-0.1 4,-0.2 0.876 86.4 171.9 52.2 39.2 41.6 13.0 11.8 313 314 A G G X + 0 0 0 -3,-1.7 -299,-1.5 -298,-0.5 3,-1.2 0.693 63.5 68.6 -52.4 -27.8 41.9 15.1 8.7 314 315 A Q G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -301,-0.2 -298,-0.1 0.620 107.5 41.1 -70.3 -10.5 43.8 12.5 6.7 315 316 A A G < S+ 0 0 71 -3,-2.4 2,-0.6 -300,-0.1 -1,-0.3 0.231 94.0 97.5-117.3 8.7 40.5 10.5 6.6 316 317 A A S < S- 0 0 8 -3,-1.2 -302,-2.0 -4,-0.2 6,-0.0 -0.896 74.4-130.4-103.4 115.3 38.2 13.4 6.0 317 318 A S B -A 13 0A 58 -2,-0.6 -304,-0.3 -304,-0.2 3,-0.1 -0.272 11.4-156.5 -60.8 149.1 37.2 13.9 2.4 318 319 A A + 0 0 0 -306,-2.6 -176,-2.2 1,-0.1 -175,-0.4 0.271 67.1 96.4-113.7 10.2 37.7 17.4 1.0 319 320 A E S S+ 0 0 77 -307,-0.4 2,-0.3 -178,-0.2 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43,-0.2 -0.944 33.8-137.6-157.2 129.8 32.4 12.9 34.4 525 526 A G G > S+ 0 0 16 41,-0.6 3,-2.5 40,-0.3 4,-0.2 0.470 78.6 104.6 -67.9 -2.2 34.6 15.7 35.9 526 527 A G G > + 0 0 0 40,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.650 62.3 76.4 -55.4 -14.7 32.2 18.4 34.8 527 528 A F G X S+ 0 0 3 -3,-0.9 3,-2.2 1,-0.3 4,-0.4 0.787 76.9 74.7 -69.2 -23.0 31.1 18.7 38.4 528 529 A L G X> S+ 0 0 12 -3,-2.5 4,-1.7 1,-0.3 3,-0.7 0.713 78.4 76.2 -60.2 -17.6 34.3 20.6 39.1 529 530 A E H <> S+ 0 0 3 -3,-1.5 4,-2.4 1,-0.2 6,-0.4 0.750 79.6 73.0 -64.4 -24.3 32.6 23.5 37.2 530 531 A F H <4>S+ 0 0 0 -3,-2.2 6,-1.7 1,-0.2 5,-1.7 0.910 107.0 30.7 -58.5 -44.1 30.5 24.1 40.3 531 532 A V H X45S+ 0 0 7 -3,-0.7 3,-1.1 -4,-0.4 -1,-0.2 0.807 114.9 62.3 -85.7 -27.5 33.4 25.6 42.3 532 533 A R H 3<5S+ 0 0 8 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.869 111.1 38.1 -63.4 -35.9 35.0 27.0 39.1 533 534 A L T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 141,-0.2 -2,-0.2 0.225 117.3-107.7-101.2 14.4 32.0 29.2 38.5 534 535 A G T < 5S+ 0 0 0 -3,-1.1 148,-0.5 2,-0.2 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