==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JAN-13 3W5N . COMPND 2 MOLECULE: PUTATIVE RHAMNOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVERMITILIS; . AUTHOR Z.FUJIMOTO,A.JACKSON,M.MICHIKAWA,T.MAEHARA,M.MOMMA,B.F.HENRI . 1029 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 279 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 75 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 14.6 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+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 0 1 0 2 1 0 0 1 3 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 16 11 3 7 7 3 3 3 1 3 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 1 1 4 2 0 0 0 1 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 A 0 0 111 0, 0.0 31,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-168.5 29.9 54.9 19.8 2 4 A L - 0 0 8 29,-0.1 97,-0.4 88,-0.1 2,-0.3 -0.805 360.0-179.3 -97.4 131.2 27.7 51.8 20.4 3 5 A R E -A 30 0A 151 27,-2.1 27,-2.5 -2,-0.4 2,-0.4 -0.975 28.2-118.5-132.3 150.4 26.8 49.7 17.4 4 6 A V E -A 29 0A 20 -2,-0.3 2,-0.4 95,-0.3 98,-0.3 -0.721 31.7-170.1 -85.6 130.5 24.7 46.5 17.0 5 7 A T - 0 0 38 23,-2.7 96,-0.0 -2,-0.4 -2,-0.0 -0.973 58.8 -7.9-121.3 138.9 26.7 43.5 15.5 6 8 A S S S- 0 0 76 -2,-0.4 -1,-0.2 1,-0.1 23,-0.0 0.894 72.7-159.7 50.0 58.6 25.3 40.2 14.3 7 9 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.385 14.1-167.8 -67.7 149.7 21.7 40.5 15.4 8 10 A S E -B 26 0B 21 18,-2.0 18,-2.5 5,-0.1 2,-0.4 -0.917 22.7-145.0-137.6 165.5 19.9 37.1 15.6 9 11 A V E > S-BC 25 12B 1 3,-2.7 3,-2.0 -2,-0.3 16,-0.2 -1.000 88.2 -8.8-132.7 125.2 16.5 35.5 15.9 10 12 A E T 3 S- 0 0 28 14,-2.8 -1,-0.1 -2,-0.4 15,-0.1 0.892 131.4 -54.7 49.5 45.6 16.1 32.3 17.9 11 13 A Y T 3 S+ 0 0 24 13,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.376 121.8 83.7 75.8 0.0 20.0 32.0 18.2 12 14 A V B < S-C 9 0B 32 -3,-2.0 -3,-2.7 582,-0.0 2,-0.4 -0.921 78.4-111.4-132.0 157.1 20.6 32.2 14.4 13 15 A Q S S- 0 0 89 -2,-0.3 -5,-0.1 -5,-0.2 93,-0.1 -0.749 96.5 -7.7 -80.4 131.8 21.1 34.7 11.6 14 16 A R S S- 0 0 120 -2,-0.4 -1,-0.2 91,-0.3 92,-0.2 0.900 78.5-155.7 54.9 56.5 18.2 34.6 9.1 15 17 A P - 0 0 16 0, 0.0 92,-2.2 0, 0.0 2,-0.5 -0.402 3.8-152.2 -64.5 139.9 16.2 31.6 10.2 16 18 A L B S+e 107 0C 52 1,-0.2 340,-0.4 90,-0.2 92,-0.1 -0.969 75.3 14.0-116.6 121.3 14.1 30.1 7.4 17 19 A G S S+ 0 0 9 90,-1.6 2,-0.6 -2,-0.5 91,-0.3 0.903 79.2 164.4 81.2 44.2 10.9 28.2 8.3 18 20 A L - 0 0 30 89,-2.9 -1,-0.2 -3,-0.3 91,-0.2 -0.870 18.2-174.8 -98.1 119.4 10.7 29.5 11.9 19 21 A D + 0 0 32 -2,-0.6 -1,-0.1 89,-0.2 89,-0.1 0.415 34.6 131.9 -98.5 3.0 7.2 28.8 13.3 20 22 A A - 0 0 32 1,-0.2 -2,-0.1 2,-0.1 58,-0.1 -0.274 50.4-148.4 -56.2 131.4 7.6 30.6 16.8 21 23 A A S S+ 0 0 57 1,-0.2 57,-0.4 56,-0.1 -1,-0.2 0.841 98.1 27.3 -65.4 -34.4 4.7 32.9 17.5 22 24 A H S S- 0 0 107 52,-0.1 -1,-0.2 55,-0.1 -2,-0.1 -0.564 85.4-162.3-130.0 66.1 7.1 35.2 19.5 23 25 A P - 0 0 0 0, 0.0 50,-2.6 0, 0.0 2,-0.5 -0.206 21.4-121.5 -54.2 140.6 10.6 34.7 18.0 24 26 A R E - D 0 72B 12 48,-0.2 -14,-2.8 46,-0.0 -13,-0.4 -0.754 24.8-154.8 -96.2 123.7 13.3 36.0 20.4 25 27 A L E -BD 9 71B 2 46,-3.2 46,-3.1 -2,-0.5 2,-0.4 -0.700 8.6-169.1 -99.8 142.8 15.6 38.7 19.1 26 28 A S E -B 8 0B 4 -18,-2.5 -18,-2.0 -2,-0.3 43,-0.2 -0.981 9.4-169.3-132.8 146.0 19.2 39.4 20.2 27 29 A W - 0 0 0 41,-2.9 -21,-0.1 -2,-0.4 42,-0.1 -0.646 6.5-163.1-136.2 83.1 21.6 42.3 19.6 28 30 A P - 0 0 18 0, 0.0 -23,-2.7 0, 0.0 2,-0.3 -0.314 21.5-150.9 -52.8 143.0 25.2 41.9 20.7 29 31 A M E -A 4 0A 7 933,-0.7 2,-0.4 955,-0.3 -25,-0.2 -0.886 9.7-155.1-124.0 153.8 26.8 45.3 20.8 30 32 A A E +A 3 0A 26 -27,-2.5 -27,-2.1 -2,-0.3 2,-0.3 -0.969 14.4 168.9-129.1 145.5 30.3 46.6 20.2 31 33 A S - 0 0 23 -2,-0.4 -29,-0.1 -29,-0.2 5,-0.1 -0.951 32.0-151.8-153.1 137.7 32.1 49.7 21.4 32 34 A A S S+ 0 0 114 -31,-0.4 991,-0.2 -2,-0.3 -30,-0.1 0.686 85.5 80.0 -77.8 -18.5 35.8 50.7 21.4 33 35 A A S S- 0 0 41 -32,-0.2 3,-0.3 989,-0.1 988,-0.0 -0.708 84.3-122.9 -87.5 140.0 35.0 52.8 24.5 34 36 A P S S+ 0 0 60 0, 0.0 988,-0.3 0, 0.0 -1,-0.1 -0.251 80.6 36.0 -76.1 165.9 34.8 51.1 27.9 35 37 A G S S+ 0 0 48 986,-2.6 2,-0.3 1,-0.2 987,-0.1 0.781 72.2 165.1 69.2 37.2 31.9 51.0 30.4 36 38 A R + 0 0 35 -3,-0.3 949,-3.0 -5,-0.1 950,-0.4 -0.663 9.9 174.5 -95.4 141.9 28.9 50.8 28.1 37 39 A R - 0 0 147 -2,-0.3 56,-0.8 947,-0.2 2,-0.5 -0.971 30.4-119.5-137.3 148.6 25.3 49.9 29.0 38 40 A Q E +F 92 0C 1 -2,-0.3 54,-0.3 28,-0.2 3,-0.1 -0.793 25.5 175.7 -88.1 129.8 22.0 49.9 27.2 39 41 A S E - 0 0 40 52,-3.1 26,-1.6 -2,-0.5 2,-0.3 0.686 68.1 -1.7 -99.9 -25.4 19.3 52.1 28.6 40 42 A A E -FG 91 64C 2 51,-1.3 51,-2.4 24,-0.3 -1,-0.3 -0.978 57.5-158.1-158.6 163.3 16.7 51.5 25.9 41 43 A Y E -FG 90 63C 25 22,-1.8 22,-3.6 -2,-0.3 2,-0.3 -0.958 3.0-159.1-142.5 162.6 15.9 49.8 22.6 42 44 A Q E -F 89 0C 13 47,-2.1 47,-1.9 -2,-0.3 2,-0.4 -0.939 9.0-164.8-146.4 125.3 13.6 50.1 19.7 43 45 A V E -F 88 0C 1 18,-0.4 17,-2.8 -2,-0.3 2,-0.4 -0.898 2.0-169.2-110.5 136.4 12.7 47.3 17.3 44 46 A R E -FH 87 59C 48 43,-2.6 43,-1.8 -2,-0.4 2,-0.4 -0.952 0.6-171.0-119.3 144.5 11.0 47.7 13.9 45 47 A V E +FH 86 58C 0 13,-2.8 13,-2.2 -2,-0.4 12,-1.6 -0.998 14.4 164.3-132.5 134.6 9.6 44.9 11.8 46 48 A A E -F 85 0C 0 39,-2.5 39,-2.7 -2,-0.4 6,-0.1 -0.916 48.8-110.6-144.9 169.3 8.4 45.3 8.2 47 49 A S S S+ 0 0 68 -2,-0.3 2,-0.3 37,-0.2 36,-0.1 0.522 103.6 26.5 -83.9 -5.0 7.5 43.4 5.0 48 50 A S S S- 0 0 49 37,-0.1 4,-0.2 1,-0.1 8,-0.1 -0.980 77.9-119.8-148.5 158.3 10.6 44.7 3.2 49 51 A A S > S+ 0 0 44 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 0.930 118.0 48.0 -60.8 -46.5 14.0 46.0 4.2 50 52 A A G > S+ 0 0 87 1,-0.3 3,-1.3 2,-0.1 -1,-0.2 0.865 102.6 65.2 -63.1 -36.1 13.3 49.4 2.6 51 53 A G G > S+ 0 0 20 1,-0.2 3,-1.1 2,-0.1 -1,-0.3 0.498 74.9 89.5 -65.0 -5.0 9.9 49.4 4.4 52 54 A L G < S+ 0 0 14 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.682 76.6 65.9 -68.5 -18.3 11.7 49.6 7.8 53 55 A S G < S+ 0 0 68 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.741 121.5 18.9 -71.2 -28.1 11.7 53.4 7.6 54 56 A H S < S- 0 0 159 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.1 -0.640 98.4-152.0-137.0 76.6 7.8 53.3 7.8 55 57 A P - 0 0 33 0, 0.0 -9,-0.2 0, 0.0 -3,-0.1 -0.250 17.1-169.2 -66.9 135.5 7.3 49.8 9.3 56 58 A D S S+ 0 0 103 -8,-0.1 -10,-0.2 -5,-0.1 3,-0.1 0.384 80.8 40.7-102.6 0.7 4.1 48.0 8.4 57 59 A V S S- 0 0 32 -12,-1.6 2,-0.3 1,-0.3 -11,-0.2 0.757 119.6 -15.4-111.1 -59.9 4.3 45.1 10.9 58 60 A W E -H 45 0C 44 -13,-2.2 -13,-2.8 17,-0.1 -1,-0.3 -0.999 37.9-178.2-150.9 146.2 5.6 46.4 14.3 59 61 A D E -H 44 0C 60 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.884 11.5-164.6-140.0 112.1 7.4 49.3 15.9 60 62 A S - 0 0 28 -17,-2.8 -16,-0.1 -2,-0.3 -19,-0.1 0.646 31.7-141.9 -64.8 -18.2 8.1 48.7 19.6 61 63 A G - 0 0 26 -18,-0.4 2,-0.7 2,-0.1 -18,-0.4 -0.150 51.9 -35.2 67.9-178.1 8.8 52.4 20.1 62 64 A K - 0 0 120 -20,-0.1 2,-0.6 -3,-0.1 -20,-0.2 -0.646 69.0-161.3 -75.8 113.7 11.6 53.4 22.5 63 65 A V E -G 41 0C 44 -22,-3.6 -22,-1.8 -2,-0.7 2,-0.6 -0.876 15.3-135.0-103.6 119.1 11.4 50.7 25.3 64 66 A V E +G 40 0C 132 -2,-0.6 -24,-0.3 -24,-0.2 2,-0.3 -0.615 62.0 107.3 -73.0 115.3 13.2 51.6 28.6 65 67 A S - 0 0 24 -26,-1.6 -2,-0.1 -2,-0.6 0, 0.0 -0.883 66.5-136.5 175.9 144.8 15.1 48.4 29.4 66 68 A D + 0 0 89 -2,-0.3 2,-0.4 -26,-0.0 -28,-0.2 0.235 64.2 127.3 -99.1 11.5 18.6 47.0 29.4 67 69 A D + 0 0 88 1,-0.1 3,-0.1 -28,-0.1 4,-0.0 -0.571 15.8 151.0 -69.9 124.6 17.4 43.7 27.8 68 70 A S + 0 0 4 -2,-0.4 -41,-2.9 1,-0.1 2,-0.4 0.307 51.3 74.6-133.2 3.6 19.5 42.8 24.7 69 71 A V S S- 0 0 28 -43,-0.2 -43,-0.2 1,-0.2 -1,-0.1 -0.985 107.2 -12.0-128.2 128.1 19.3 39.0 24.6 70 72 A L S S+ 0 0 18 -2,-0.4 -44,-0.2 1,-0.2 -1,-0.2 0.886 74.4 174.9 54.2 47.1 16.3 36.8 23.6 71 73 A V E -D 25 0B 11 -46,-3.1 -46,-3.2 -3,-0.1 -1,-0.2 -0.757 30.1-124.3 -85.2 117.8 13.8 39.6 23.6 72 74 A P E -D 24 0B 70 0, 0.0 -48,-0.2 0, 0.0 2,-0.1 -0.406 20.0-109.4 -71.3 134.3 10.5 38.2 22.3 73 75 A Y - 0 0 2 -50,-2.6 -49,-0.0 -2,-0.1 -15,-0.0 -0.384 36.0-177.6 -48.0 132.1 8.7 39.7 19.3 74 76 A A + 0 0 66 -3,-0.1 -1,-0.1 -2,-0.1 -52,-0.1 -0.085 39.8 105.1-136.2 35.1 5.6 41.5 20.7 75 77 A G S S- 0 0 18 1,-0.3 3,-0.1 -17,-0.1 -17,-0.1 -0.152 81.0 -43.5 -94.1-163.6 3.8 42.8 17.6 76 78 A P S S- 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -19,-0.0 -0.178 83.5 -69.5 -61.4 156.1 0.7 41.6 15.8 77 79 A P - 0 0 124 0, 0.0 2,-0.1 0, 0.0 -55,-0.1 -0.205 55.0-120.6 -50.6 131.0 0.2 37.8 15.2 78 80 A L - 0 0 20 -57,-0.4 -56,-0.0 -3,-0.1 6,-0.0 -0.449 23.1-137.1 -73.3 150.6 2.7 36.5 12.6 79 81 A K > - 0 0 122 -2,-0.1 3,-0.6 1,-0.1 29,-0.2 -0.738 24.5 -96.4-106.8 153.8 1.3 34.8 9.4 80 82 A P T 3 S+ 0 0 43 0, 0.0 30,-0.2 0, 0.0 29,-0.1 -0.254 100.7 15.9 -63.9 154.6 2.6 31.6 7.7 81 83 A R T 3 S+ 0 0 48 28,-2.6 2,-0.4 1,-0.2 28,-0.1 0.785 94.3 135.9 58.8 32.7 5.0 31.7 4.8 82 84 A T < - 0 0 27 -3,-0.6 26,-2.5 27,-0.2 2,-0.5 -0.949 50.6-141.2-122.8 132.5 6.1 35.3 5.4 83 85 A R E - I 0 107C 57 -2,-0.4 2,-0.5 24,-0.2 24,-0.3 -0.781 19.5-161.5 -87.9 127.2 9.4 36.9 5.5 84 86 A Y E - I 0 106C 9 22,-3.4 22,-2.1 -2,-0.5 2,-0.3 -0.951 2.0-155.5-111.9 120.7 9.8 39.5 8.2 85 87 A F E -FI 46 105C 41 -39,-2.7 -39,-2.5 -2,-0.5 2,-0.3 -0.707 19.4-179.9 -91.5 145.2 12.5 42.1 8.0 86 88 A W E -FI 45 104C 1 18,-2.4 18,-2.5 -2,-0.3 2,-0.3 -0.989 18.4-178.8-148.3 156.1 13.8 43.8 11.2 87 89 A S E -F 44 0C 4 -43,-1.8 -43,-2.6 -2,-0.3 2,-0.3 -0.973 9.9-160.8-148.2 151.6 16.2 46.3 12.6 88 90 A V E -F 43 0C 0 -2,-0.3 13,-2.4 -45,-0.2 2,-0.3 -0.983 3.9-170.7-133.0 148.6 17.0 47.4 16.2 89 91 A R E -F 42 0C 67 -47,-1.9 -47,-2.1 -2,-0.3 2,-0.3 -0.942 11.0-155.5-131.5 158.4 18.7 50.5 17.6 90 92 A V E -F 41 0C 1 -2,-0.3 8,-2.7 9,-0.3 2,-0.4 -0.899 10.8-135.9-130.0 159.3 19.7 51.1 21.2 91 93 A W E -FJ 40 97C 25 -51,-2.4 -52,-3.1 -2,-0.3 -51,-1.3 -0.947 23.1-137.7-112.1 137.5 20.4 54.0 23.5 92 94 A D E > -F 38 0C 19 4,-2.3 3,-1.7 -2,-0.4 -54,-0.2 -0.172 38.6 -85.2 -81.2-177.6 23.4 54.0 25.8 93 95 A A T 3 S+ 0 0 44 -56,-0.8 -55,-0.1 1,-0.3 -1,-0.1 0.747 130.8 52.5 -64.6 -24.1 23.5 55.2 29.5 94 96 A D T 3 S- 0 0 157 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.443 122.0-107.9 -88.9 -2.9 24.0 58.8 28.4 95 97 A G < + 0 0 41 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.612 69.5 145.1 86.9 14.4 20.9 58.5 26.1 96 98 A G - 0 0 35 1,-0.0 -4,-2.3 0, 0.0 -1,-0.3 -0.732 43.2-131.3 -84.5 132.7 22.8 58.5 22.8 97 99 A A B -J 91 0C 50 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.1 -0.553 11.6-136.5 -83.9 145.0 21.3 56.4 20.1 98 100 A S - 0 0 13 -8,-2.7 -95,-0.1 -2,-0.2 -1,-0.1 -0.381 36.9 -84.9 -79.5 170.0 23.1 53.9 17.9 99 101 A E - 0 0 160 -97,-0.4 -9,-0.3 -2,-0.1 -95,-0.3 -0.375 56.4 -93.5 -60.5 155.2 22.7 53.5 14.2 100 102 A W - 0 0 75 -11,-0.1 -11,-0.2 1,-0.1 -1,-0.1 -0.564 52.6-101.4 -67.5 140.5 19.8 51.2 13.2 101 103 A S - 0 0 6 -13,-2.4 3,-0.1 -2,-0.2 -1,-0.1 -0.345 45.7 -87.7 -63.1 147.9 21.2 47.7 12.8 102 104 A A - 0 0 81 -98,-0.3 -1,-0.1 1,-0.1 -16,-0.1 -0.400 63.5 -93.1 -54.2 128.7 21.8 46.6 9.2 103 105 A P + 0 0 75 0, 0.0 2,-0.2 0, 0.0 -16,-0.2 -0.132 53.7 174.2 -53.9 134.9 18.4 45.1 8.2 104 106 A S E - I 0 86C 10 -18,-2.5 -18,-2.4 -3,-0.1 2,-0.3 -0.671 11.3-147.9-125.4-170.7 18.0 41.3 8.7 105 107 A W E - I 0 85C 47 -20,-0.3 -91,-0.3 -2,-0.2 2,-0.3 -0.987 14.0-159.8-153.0 159.3 15.1 38.9 8.4 106 108 A W E - I 0 84C 0 -22,-2.1 -22,-3.4 -2,-0.3 2,-0.4 -0.952 18.8-146.0-131.9 158.9 13.4 35.7 9.6 107 109 A E E -eI 16 83C 0 -92,-2.2 -89,-2.9 -2,-0.3 -90,-1.6 -0.983 9.5-135.8-129.1 128.4 10.8 33.7 7.6 108 110 A T - 0 0 0 -26,-2.5 -89,-0.2 -2,-0.4 -91,-0.1 -0.426 17.5-147.4 -74.8 153.7 7.9 31.8 9.0 109 111 A G - 0 0 0 -91,-0.2 -28,-2.6 -28,-0.1 -27,-0.2 0.134 49.7 -59.0 -94.7-143.8 7.1 28.3 7.8 110 112 A L - 0 0 0 -30,-0.2 5,-0.1 -93,-0.1 -2,-0.1 0.723 59.6-144.7 -79.5 -23.6 3.7 26.6 7.4 111 113 A M - 0 0 49 -32,-0.1 3,-0.1 3,-0.1 360,-0.1 0.907 64.1 -5.4 59.2 50.3 2.9 27.0 11.1 112 114 A G S > S- 0 0 26 358,-0.3 3,-2.3 1,-0.1 4,-0.2 -0.015 85.0 -79.0 114.7 149.6 1.0 23.7 11.6 113 115 A A G > S+ 0 0 52 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.693 113.3 72.5 -49.0 -30.0 -0.4 20.7 9.8 114 116 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.697 90.0 59.8 -65.2 -18.8 -3.5 22.5 8.5 115 117 A Q G < S+ 0 0 50 -3,-2.3 2,-0.4 -5,-0.1 -1,-0.3 0.503 89.4 90.3 -89.7 -3.5 -1.3 24.5 6.0 116 118 A W < + 0 0 26 -3,-1.8 284,-0.0 -4,-0.2 0, 0.0 -0.750 40.0 170.5 -88.1 135.9 -0.2 21.2 4.3 117 119 A S + 0 0 54 -2,-0.4 -1,-0.1 2,-0.1 297,-0.1 0.352 48.2 112.3-116.5 -0.3 -2.1 19.8 1.4 118 120 A A - 0 0 14 295,-0.1 2,-0.4 1,-0.1 298,-0.2 -0.253 60.8-134.4 -64.4 154.0 0.6 17.2 0.6 119 121 A K - 0 0 125 296,-2.3 2,-0.4 280,-0.2 280,-0.4 -0.903 20.4-108.6-113.1 146.0 -0.1 13.5 1.1 120 122 A W - 0 0 39 -2,-0.4 342,-2.1 278,-0.1 2,-0.3 -0.562 44.8-174.7 -68.9 125.4 2.2 10.9 2.7 121 123 A I E -KL 397 461D 1 276,-2.3 276,-2.7 -2,-0.4 2,-0.3 -0.923 12.9-173.6-127.3 152.6 3.6 8.6 0.1 122 124 A S E - L 0 460D 1 338,-2.6 338,-2.8 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61.1-152.1-112.7 125.8 26.1 12.2 57.4 800 802 A A > - 0 0 46 4,-2.7 3,-2.3 -2,-0.5 -2,-0.0 -0.428 31.5-101.9 -91.2 167.4 27.9 11.4 60.6 801 803 A S T 3 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.716 123.3 50.5 -62.8 -26.2 29.0 13.8 63.4 802 804 A D T 3 S- 0 0 93 2,-0.1 -1,-0.3 27,-0.0 -3,-0.0 0.288 124.1-103.4 -94.2 7.2 32.6 13.8 62.1 803 805 A G S < S+ 0 0 1 -3,-2.3 2,-0.1 1,-0.3 -2,-0.1 0.477 71.1 146.2 87.5 3.5 31.4 14.6 58.6 804 806 A K - 0 0 83 -5,-0.0 -4,-2.7 29,-0.0 2,-0.4 -0.492 38.7-142.6 -71.2 143.7 31.8 11.2 57.1 805 807 A V B > -C 799 0R 5 -6,-0.2 3,-2.7 -2,-0.1 -6,-0.2 -0.908 30.7 -88.8-110.3 138.3 29.3 10.3 54.4 806 808 A K T 3 S+ 0 0 94 -8,-2.3 3,-0.3 -2,-0.4 -1,-0.1 -0.154 116.6 21.7 -42.4 122.5 27.8 6.8 54.0 807 809 A G T 3 S- 0 0 43 1,-0.2 -1,-0.3 -55,-0.1 3,-0.1 -0.037 92.8-133.4 103.0 -29.3 29.9 4.8 51.6 808 810 A D < + 0 0 49 -3,-2.7 2,-0.2 1,-0.2 -1,-0.2 0.823 55.1 146.1 50.5 39.3 33.0 7.0 52.3 809 811 A T > - 0 0 2 -3,-0.3 4,-1.5 -4,-0.1 5,-0.2 -0.638 65.3-111.6 -99.3 162.3 33.7 7.1 48.5 810 812 A Q H > S+ 0 0 0 -2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.956 120.9 50.7 -55.7 -47.2 35.1 10.1 46.6 811 813 A S H > S+ 0 0 1 -61,-0.3 4,-2.9 1,-0.2 5,-0.3 0.820 101.0 62.4 -63.2 -34.5 31.7 10.6 44.9 812 814 A A H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.926 112.4 36.4 -53.9 -47.4 29.9 10.5 48.3 813 815 A Y H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.4 5,-0.3 0.904 115.4 54.6 -75.0 -40.3 31.8 13.7 49.3 814 816 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.950 112.6 42.5 -57.5 -50.5 31.8 15.3 45.9 815 817 A L H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.902 114.8 47.8 -67.4 -43.4 28.0 15.0 45.5 816 818 A T H <>S+ 0 0 0 -4,-1.7 5,-2.9 -5,-0.3 6,-1.2 0.857 116.3 44.6 -68.3 -34.1 27.1 16.1 49.1 817 819 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.932 114.9 48.4 -72.7 -44.2 29.5 19.1 48.9 818 820 A S H 3<5S+ 0 0 29 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.874 115.2 43.2 -61.3 -41.8 28.4 20.1 45.4 819 821 A M T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.287 112.8-116.3 -92.6 7.1 24.7 19.9 46.2 820 822 A N T < 5S+ 0 0 80 -3,-1.1 -3,-0.2 -4,-0.1 -4,-0.1 0.882 74.7 130.5 61.2 43.2 25.0 21.7 49.6 821 823 A L < + 0 0 0 -5,-2.9 -4,-0.2 -6,-0.2 -5,-0.1 0.666 41.2 91.0 -98.6 -22.7 23.9 18.7 51.5 822 824 A V S S- 0 0 3 -6,-1.2 5,-0.2 -9,-0.1 -27,-0.0 -0.563 92.6-104.1 -70.8 133.9 26.7 18.6 54.1 823 825 A P > - 0 0 35 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.337 32.5-117.1 -55.1 143.7 25.9 20.6 57.2 824 826 A D G > S+ 0 0 144 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.852 114.2 58.3 -55.5 -37.1 27.9 23.9 57.0 825 827 A A G 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.697 110.8 44.4 -62.0 -20.3 29.8 23.1 60.1 826 828 A L G <> S+ 0 0 34 -3,-2.1 4,-2.3 1,-0.1 -1,-0.2 0.339 81.3 95.4-113.1 5.3 31.0 19.8 58.5 827 829 A R H <> S+ 0 0 51 -3,-1.1 4,-2.8 -4,-0.5 5,-0.2 0.933 86.2 52.6 -60.3 -45.3 32.0 21.0 55.0 828 830 A K H > S+ 0 0 152 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.919 111.7 45.5 -54.4 -46.7 35.6 21.4 56.0 829 831 A A H > S+ 0 0 33 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 112.7 50.3 -68.3 -40.0 35.7 17.8 57.4 830 832 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.913 113.2 45.7 -64.7 -43.2 34.0 16.4 54.4 831 833 A A H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.859 110.7 53.1 -68.5 -37.0 36.4 18.1 52.0 832 834 A D H X S+ 0 0 69 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.888 109.3 50.1 -61.3 -41.4 39.4 17.1 54.1 833 835 A R H X S+ 0 0 77 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.881 107.6 53.4 -65.4 -41.4 38.2 13.5 53.9 834 836 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.940 109.5 47.7 -55.6 -49.2 37.8 13.8 50.1 835 837 A V H X S+ 0 0 19 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.844 109.8 54.4 -61.3 -35.2 41.5 15.0 49.8 836 838 A A H X S+ 0 0 34 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.879 107.8 48.3 -69.2 -41.7 42.5 12.1 52.1 837 839 A L H X S+ 0 0 25 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.877 112.7 48.9 -65.7 -39.6 40.9 9.5 49.8 838 840 A I H ><>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 6,-1.1 0.934 112.3 48.0 -64.6 -46.6 42.5 11.1 46.8 839 841 A E H ><5S+ 0 0 110 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.902 108.1 56.0 -56.6 -43.1 45.9 11.1 48.5 840 842 A A H 3<5S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.680 103.2 54.5 -66.6 -21.6 45.4 7.4 49.5 841 843 A K T <<5S- 0 0 94 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.082 128.3-100.3 -95.6 20.4 44.9 6.5 45.9 842 844 A D T < 5S- 0 0 113 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.870 81.1 -48.3 62.3 41.4 48.3 8.1 45.1 843 845 A W S - 0 0 0 -98,-0.2 4,-2.3 -101,-0.1 -102,-0.2 0.028 53.3 -52.1 -94.7-151.7 32.3 7.6 37.9 849 851 A F T 4 S+ 0 0 2 -104,-2.7 -105,-0.1 1,-0.2 -103,-0.1 0.826 134.9 40.0 -59.7 -36.8 29.8 9.4 35.7 850 852 A L T 4 S+ 0 0 0 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.837 119.0 42.8 -87.0 -37.2 28.0 11.3 38.5 851 853 A G T >> S+ 0 0 0 1,-0.1 4,-1.0 2,-0.1 3,-0.9 0.838 100.9 69.8 -74.5 -37.9 31.0 12.3 40.6 852 854 A T H >X S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.3 4,-0.6 0.856 93.9 50.9 -57.8 -44.2 33.4 13.3 37.8 853 855 A P H 34 S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.793 118.4 39.8 -66.6 -23.0 31.8 16.6 36.6 854 856 A R H <> S+ 0 0 42 -3,-0.9 4,-2.2 -4,-0.3 5,-0.2 0.520 94.8 87.6-100.8 -6.8 31.6 17.9 40.2 855 857 A L H S+ 0 0 28 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.917 109.9 47.3 -56.7 -44.6 34.8 22.2 41.1 858 860 A V H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 6,-0.2 0.923 110.5 52.7 -61.0 -45.4 34.2 20.9 44.7 859 861 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 3,-0.3 0.915 113.2 43.7 -57.5 -44.2 38.0 20.7 45.3 860 862 A T H ><5S+ 0 0 8 -4,-2.5 3,-1.6 4,-0.2 5,-0.3 0.909 110.6 55.2 -66.9 -42.2 38.3 24.4 44.2 861 863 A D H 3<5S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 109.1 48.0 -61.6 -27.0 35.3 25.5 46.2 862 864 A T T 3<5S- 0 0 35 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.177 126.3 -94.7-104.8 13.1 36.8 24.0 49.4 863 865 A G T < 5S+ 0 0 63 -3,-1.6 3,-0.2 -5,-0.1 -3,-0.2 0.641 94.2 113.3 87.3 17.7 40.2 25.6 49.0 864 866 A H >< + 0 0 36 -5,-3.0 4,-2.1 -6,-0.2 3,-0.3 -0.246 19.2 133.2-115.4 44.1 41.9 22.7 47.3 865 867 A T H > S+ 0 0 21 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.843 74.2 61.0 -57.6 -34.4 42.7 24.0 43.8 866 868 A D H > S+ 0 0 117 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.908 105.5 46.0 -60.8 -41.9 46.2 22.6 44.2 867 869 A V H > S+ 0 0 9 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.895 109.3 55.8 -62.8 -44.6 44.7 19.1 44.5 868 870 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.932 108.7 47.5 -54.0 -46.6 42.5 19.8 41.5 869 871 A Y H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.818 106.7 56.5 -64.2 -35.3 45.6 20.6 39.5 870 872 A R H X S+ 0 0 130 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.926 112.5 42.4 -60.5 -45.7 47.3 17.4 40.7 871 873 A L H < S+ 0 0 3 -4,-2.3 9,-0.4 2,-0.2 3,-0.4 0.875 113.5 52.6 -66.5 -41.1 44.4 15.3 39.4 872 874 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 114.1 41.5 -62.8 -42.7 44.2 17.4 36.2 873 875 A H H < S+ 0 0 20 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.532 87.0 123.9 -85.4 -5.8 47.9 16.9 35.4 874 876 A Q < - 0 0 33 -4,-0.6 7,-1.1 -3,-0.4 8,-0.2 -0.249 35.4-178.4 -58.8 136.6 47.9 13.2 36.4 875 877 A R + 0 0 139 6,-0.2 10,-0.2 5,-0.1 2,-0.2 0.584 52.2 81.3-115.5 -14.5 49.2 10.9 33.6 876 878 A T S S- 0 0 76 2,-0.2 6,-0.3 1,-0.1 5,-0.2 -0.521 92.5 -43.2 -93.6 161.8 48.9 7.4 35.1 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