==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUL-10 3NSN . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OSTRINIA FURNACALIS; . AUTHOR H.ZHANG,T.LIU,F.LIU,Q.YANG,X.SHEN . 572 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 57 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 4 2 0 3 0 0 1 1 2 0 0 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 1 2 2 0 1 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 . 2 2 1 1 1 1 1 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 . 1 2 0 0 1 0 0 0 1 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 23 A E 0 0 221 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-143.9 68.2 -10.6 54.0 2 24 A D - 0 0 135 1,-0.0 167,-0.1 2,-0.0 2,-0.0 -0.884 360.0 -91.6-122.6 148.4 66.6 -14.0 53.6 3 25 A V - 0 0 50 165,-0.4 -1,-0.0 -2,-0.3 26,-0.0 -0.331 30.7-166.9 -62.8 135.1 63.2 -15.4 52.8 4 26 A V + 0 0 73 2,-0.0 15,-1.6 -2,-0.0 2,-0.2 0.455 58.4 69.6 -96.9 -12.0 61.2 -16.0 55.8 5 27 A W E -A 18 0A 87 13,-0.2 2,-0.3 14,-0.0 13,-0.2 -0.678 53.0-164.6-116.1 164.2 58.4 -18.1 54.4 6 28 A R E -A 17 0A 42 11,-2.4 11,-3.0 -2,-0.2 2,-0.3 -0.910 15.9-131.6-140.1 166.4 57.8 -21.5 52.9 7 29 A W E -A 16 0A 13 21,-2.2 21,-0.4 -2,-0.3 2,-0.4 -0.937 13.7-169.4-130.1 146.7 55.0 -23.1 50.9 8 30 A S E -A 15 0A 38 7,-1.5 7,-2.7 -2,-0.3 2,-0.3 -0.994 25.9-118.0-140.0 134.2 53.0 -26.2 51.1 9 31 A a E +A 14 0A 65 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.475 35.7 167.5 -72.8 126.0 50.6 -27.8 48.7 10 32 A D E > S-A 13 0A 90 3,-2.1 3,-1.4 -2,-0.3 -2,-0.0 -0.894 71.9 -24.4-142.5 112.2 47.0 -28.2 50.0 11 33 A N T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.829 126.5 -48.3 55.8 38.5 44.2 -29.1 47.6 12 34 A G T 3 S+ 0 0 34 1,-0.2 2,-0.4 26,-0.0 -1,-0.2 0.409 119.8 102.7 83.5 0.4 46.1 -27.7 44.6 13 35 A K E < -A 10 0A 84 -3,-1.4 -3,-2.1 554,-0.1 2,-0.7 -0.956 68.8-132.4-117.6 132.9 47.0 -24.4 46.2 14 36 A b E -A 9 0A 1 -2,-0.4 553,-0.7 -5,-0.2 2,-0.4 -0.722 27.5-155.5 -83.9 114.8 50.4 -23.5 47.6 15 37 A V E -A 8 0A 40 -7,-2.7 -7,-1.5 -2,-0.7 2,-0.3 -0.806 13.4-124.2-102.4 132.3 49.9 -22.0 51.0 16 38 A K E +A 7 0A 49 -2,-0.4 2,-0.3 549,-0.2 -9,-0.2 -0.553 36.6 174.1 -76.9 127.1 52.4 -19.7 52.6 17 39 A L E -A 6 0A 65 -11,-3.0 -11,-2.4 -2,-0.3 2,-0.1 -0.941 38.6 -95.1-133.3 148.5 53.5 -20.9 56.0 18 40 A K E -A 5 0A 105 -2,-0.3 2,-1.5 -13,-0.2 -13,-0.2 -0.421 32.9-128.0 -65.0 138.5 56.1 -19.7 58.4 19 41 A N - 0 0 57 -15,-1.6 -1,-0.1 -2,-0.1 4,-0.1 -0.622 36.5-170.8 -87.7 76.3 59.4 -21.4 57.9 20 42 A D - 0 0 98 -2,-1.5 3,-0.1 1,-0.1 -15,-0.0 -0.496 23.5-136.6 -73.9 135.0 59.8 -22.3 61.6 21 43 A P S S+ 0 0 115 0, 0.0 2,-2.0 0, 0.0 -1,-0.1 0.757 90.5 76.3 -63.0 -30.5 63.2 -23.8 62.7 22 44 A R S S+ 0 0 241 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.429 77.0 107.3 -84.7 64.4 61.9 -26.5 64.8 23 45 A S - 0 0 63 -2,-2.0 4,-0.1 -4,-0.1 -4,-0.0 -0.999 54.9-160.4-141.8 143.0 60.9 -28.7 61.9 24 46 A S S S+ 0 0 136 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.416 71.4 94.6 -95.7 -2.7 62.2 -31.9 60.4 25 47 A E S S- 0 0 118 1,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.772 82.7-116.2 -94.6 128.4 60.5 -31.3 57.1 26 48 A P - 0 0 96 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.469 33.6-119.0 -65.0 129.5 62.5 -29.6 54.3 27 49 A A - 0 0 6 -2,-0.2 2,-0.4 -4,-0.1 -19,-0.1 -0.460 21.0-138.9 -69.9 138.6 61.0 -26.2 53.4 28 50 A L - 0 0 76 -21,-0.4 -21,-2.2 -2,-0.2 2,-0.1 -0.852 9.4-135.8-102.7 133.8 59.7 -25.6 49.9 29 51 A S > - 0 0 0 -2,-0.4 4,-1.9 -23,-0.2 5,-0.2 -0.309 35.4 -99.2 -74.8 165.9 60.3 -22.4 48.1 30 52 A L H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 119.7 42.4 -60.8 -50.3 57.3 -20.9 46.2 31 53 A E H > S+ 0 0 48 135,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.861 111.9 55.6 -63.7 -38.3 58.2 -22.1 42.6 32 54 A A H > S+ 0 0 5 2,-0.2 4,-0.7 134,-0.2 -1,-0.2 0.880 110.5 45.8 -63.2 -39.6 59.2 -25.5 43.9 33 55 A b H >X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 3,-0.9 0.944 111.7 50.7 -66.4 -46.4 55.8 -25.9 45.5 34 56 A K H 3X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.875 99.5 67.3 -59.8 -34.6 54.0 -24.6 42.4 35 57 A M H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 7,-0.2 0.808 118.0 19.6 -59.2 -36.2 55.8 -27.1 40.2 36 58 A F H << S+ 0 0 70 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.615 118.4 62.4-109.1 -23.2 54.2 -30.1 41.8 37 59 A a H < S+ 0 0 15 -4,-2.5 2,-0.2 -5,-0.2 -3,-0.2 0.869 95.4 73.7 -66.5 -37.9 51.2 -28.6 43.3 38 60 A N S >< S- 0 0 24 -4,-2.1 3,-0.8 -5,-0.3 4,-0.1 -0.565 85.0-128.8 -80.3 144.6 49.9 -27.5 39.9 39 61 A E T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.874 113.5 22.0 -58.6 -39.9 48.5 -30.0 37.5 40 62 A Y T > S- 0 0 42 1,-0.3 3,-1.6 3,-0.1 -1,-0.3 0.173 101.1-148.4-109.6 12.4 50.8 -28.7 34.7 41 63 A G T < - 0 0 1 -3,-0.8 -1,-0.3 1,-0.2 -5,-0.1 -0.365 63.5 -24.5 60.4-126.6 53.4 -27.2 37.1 42 64 A L T 3 S+ 0 0 7 -7,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.245 99.6 126.6-101.3 8.4 55.1 -24.2 35.7 43 65 A L < - 0 0 1 -3,-1.6 3,-0.2 -8,-0.1 501,-0.1 -0.442 45.6-146.6 -73.8 140.5 54.6 -24.9 31.9 44 66 A W S S+ 0 0 1 1,-0.4 2,-0.2 171,-0.2 173,-0.1 -0.850 86.9 22.4-150.2 122.9 53.0 -22.6 29.4 45 67 A P S S- 0 0 2 0, 0.0 -1,-0.4 0, 0.0 476,-0.0 0.590 96.8-129.6 -71.5 159.8 51.5 -23.6 27.2 46 68 A R - 0 0 35 -3,-0.2 5,-0.0 -2,-0.2 -5,-0.0 -0.488 32.6-103.7 -66.7 144.5 50.6 -27.0 28.8 47 69 A P - 0 0 2 0, 0.0 136,-0.1 0, 0.0 -1,-0.1 -0.231 13.6-144.0 -69.9 157.9 51.4 -29.9 26.5 48 70 A T S S+ 0 0 45 2,-0.1 135,-0.2 134,-0.1 3,-0.1 0.626 84.5 39.6 -96.2 -22.0 48.8 -31.9 24.6 49 71 A G S S- 0 0 41 133,-1.3 2,-0.3 1,-0.3 134,-0.2 0.408 116.6 -8.0 -99.4-129.7 50.4 -35.3 24.9 50 72 A E - 0 0 92 1,-0.1 132,-1.4 2,-0.0 -1,-0.3 -0.556 54.4-179.8 -72.9 133.7 52.1 -36.8 27.8 51 73 A A E +B 181 0B 35 -2,-0.3 2,-0.7 130,-0.2 130,-0.2 -0.408 17.5 153.4-133.1 62.5 52.7 -34.5 30.7 52 74 A D E +B 180 0B 82 128,-2.4 128,-2.4 1,-0.1 -12,-0.1 -0.811 10.5 167.7 -97.2 111.4 54.4 -36.4 33.4 53 75 A L - 0 0 17 -2,-0.7 125,-0.4 1,-0.3 3,-0.3 0.383 31.7-146.8 -99.7 0.5 56.5 -34.3 35.6 54 76 A G - 0 0 22 1,-0.2 -1,-0.3 123,-0.1 125,-0.1 -0.287 30.2 -80.6 69.7-160.3 57.2 -36.9 38.4 55 77 A N S S+ 0 0 125 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.377 91.4 67.2-124.7 -0.1 57.6 -35.9 42.0 56 78 A F - 0 0 106 -3,-0.3 121,-2.7 122,-0.1 122,-0.4 -0.864 52.2-147.4-133.1 167.2 61.1 -34.6 42.5 57 79 A L E -G 176 0C 44 -2,-0.3 2,-0.4 119,-0.3 119,-0.2 -0.890 13.8-151.6-122.9 149.0 63.7 -31.9 41.8 58 80 A S E -G 175 0C 16 117,-2.8 117,-2.2 -2,-0.3 2,-0.2 -0.965 21.6-115.4-125.3 145.4 67.4 -32.1 41.4 59 81 A K E -G 174 0C 76 -2,-0.4 46,-2.1 115,-0.2 2,-0.3 -0.537 36.8-164.4 -76.1 139.8 70.0 -29.6 42.1 60 82 A I E -c 105 0B 1 113,-2.5 2,-0.6 44,-0.3 113,-0.4 -0.952 22.2-127.5-132.7 146.7 71.9 -28.5 39.0 61 83 A N E > - 0 0 25 44,-2.8 3,-1.4 -2,-0.3 46,-0.3 -0.849 16.0-153.8 -96.4 120.4 75.1 -26.6 38.2 62 84 A L E > S+ 0 0 20 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.825 93.1 54.6 -62.2 -37.7 74.4 -23.8 35.9 63 85 A N E 3 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.1 43,-0.1 0.480 100.8 64.1 -77.0 -2.6 77.9 -23.8 34.5 64 86 A S E < + 0 0 37 -3,-1.4 43,-1.8 41,-0.2 2,-0.6 -0.110 67.8 118.9-115.5 31.5 77.7 -27.5 33.6 65 87 A I E < -c 107 0B 21 -3,-0.7 2,-0.4 41,-0.2 43,-0.2 -0.880 38.2-178.5-101.0 126.4 75.0 -27.6 31.0 66 88 A E E -c 108 0B 107 41,-2.6 43,-2.7 -2,-0.6 2,-0.4 -0.987 15.0-150.2-130.3 134.1 76.0 -28.9 27.7 67 89 A V E -c 109 0B 40 -2,-0.4 2,-0.5 41,-0.2 43,-0.2 -0.848 10.5-166.4-105.0 129.7 74.0 -29.3 24.5 68 90 A K E -c 110 0B 135 41,-3.9 43,-3.1 -2,-0.4 2,-0.7 -0.953 11.4-149.7-121.8 125.6 74.7 -31.9 22.0 69 91 A I E -c 111 0B 49 -2,-0.5 43,-0.2 41,-0.2 3,-0.1 -0.754 11.6-173.4 -90.9 109.3 73.3 -32.1 18.4 70 92 A L + 0 0 104 41,-2.6 2,-0.5 -2,-0.7 42,-0.2 0.875 67.4 42.2 -70.8 -41.4 73.0 -35.7 17.3 71 93 A K S S- 0 0 85 40,-0.6 42,-0.2 5,-0.0 -1,-0.2 -0.949 72.6-151.3-116.9 119.5 72.0 -35.3 13.7 72 94 A K + 0 0 157 -2,-0.5 2,-0.3 -3,-0.1 45,-0.1 -0.438 32.2 124.9 -84.1 161.5 73.6 -32.8 11.4 73 95 A G S > S- 0 0 19 -2,-0.1 3,-1.3 43,-0.1 44,-0.2 -0.964 71.4 -48.7 176.4-166.9 72.0 -31.1 8.4 74 96 A A T 3 S+ 0 0 46 -2,-0.3 3,-0.5 1,-0.3 43,-0.2 0.786 125.3 60.4 -65.1 -25.7 71.1 -28.0 6.6 75 97 A T T 3> S+ 0 0 0 41,-2.4 4,-2.8 1,-0.2 -1,-0.3 0.142 70.6 114.8 -88.1 19.2 69.6 -26.6 9.8 76 98 A D H <> S+ 0 0 33 -3,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.893 73.3 49.0 -61.6 -44.6 72.9 -26.8 11.5 77 99 A D H > S+ 0 0 65 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.856 114.4 46.2 -62.6 -40.7 73.3 -23.1 12.0 78 100 A L H > S+ 0 0 0 2,-0.2 4,-2.5 -4,-0.2 -2,-0.2 0.909 112.8 48.6 -65.4 -47.4 69.8 -22.8 13.4 79 101 A M H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.924 113.4 49.4 -61.7 -42.7 70.2 -25.7 15.7 80 102 A E H X S+ 0 0 103 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.877 110.3 48.6 -63.2 -41.4 73.5 -24.3 16.8 81 103 A A H X S+ 0 0 23 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.930 111.8 50.9 -63.6 -42.1 72.0 -20.9 17.4 82 104 A A H X S+ 0 0 2 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.859 108.3 51.4 -63.2 -40.2 69.2 -22.4 19.4 83 105 A A H >X S+ 0 0 15 -4,-1.9 3,-1.5 1,-0.2 4,-0.5 0.938 107.0 54.1 -64.0 -43.4 71.5 -24.4 21.5 84 106 A K H >X S+ 0 0 137 -4,-2.0 3,-0.7 1,-0.3 4,-0.6 0.873 105.9 52.7 -59.9 -39.2 73.5 -21.4 22.4 85 107 A R H 3X S+ 0 0 33 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.699 89.4 82.3 -69.4 -18.3 70.4 -19.6 23.5 86 108 A F H < S+ 0 0 25 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.903 106.5 51.6 -63.5 -41.3 66.8 -19.4 28.8 90 112 A V H >< S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.2 4,-0.2 0.937 101.7 60.9 -62.3 -40.8 67.7 -21.4 31.8 91 113 A S H >< S+ 0 0 28 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.698 86.2 77.0 -60.9 -16.5 69.0 -18.3 33.6 92 114 A L T << S+ 0 0 28 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.678 80.6 69.6 -66.0 -19.0 65.5 -16.9 33.3 93 115 A A T < S+ 0 0 7 -3,-2.3 73,-0.6 -4,-0.2 -1,-0.3 0.722 90.8 75.3 -66.0 -24.0 64.6 -19.2 36.2 94 116 A I S < S- 0 0 13 -3,-1.8 3,-0.1 -4,-0.2 4,-0.1 -0.839 87.0-122.0-101.2 122.5 66.7 -17.0 38.4 95 117 A P > - 0 0 57 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.291 40.2 -94.2 -62.3 138.6 65.6 -13.6 39.6 96 118 A R T 3 S+ 0 0 161 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.301 113.9 27.5 -58.1 132.5 67.8 -10.7 38.6 97 119 A G T 3 S+ 0 0 87 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.463 100.8 107.8 89.9 6.9 70.3 -9.9 41.4 98 120 A S < - 0 0 44 -3,-1.6 -1,-0.3 -4,-0.1 -4,-0.1 -0.922 51.7-159.9-116.5 139.1 70.2 -13.4 42.6 99 121 A T - 0 0 106 -2,-0.4 2,-0.1 -3,-0.1 3,-0.0 -0.981 9.8-140.6-124.5 127.0 73.1 -15.9 42.2 100 122 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 72,-0.2 -0.435 29.8-103.5 -74.5 150.6 72.8 -19.7 42.4 101 123 A K - 0 0 107 70,-2.3 2,-1.9 -2,-0.1 72,-0.4 -0.603 31.2-125.6 -74.1 133.2 75.4 -21.8 44.1 102 124 A L S S+ 0 0 85 -2,-0.3 2,-0.3 -41,-0.1 -41,-0.2 -0.507 73.8 97.8 -83.7 73.7 77.6 -23.5 41.5 103 125 A T + 0 0 62 -2,-1.9 70,-0.2 -43,-0.4 2,-0.2 -0.918 44.5 65.5-148.9 170.3 77.1 -27.0 42.6 104 126 A G S S- 0 0 43 -2,-0.3 -44,-0.3 -43,-0.1 2,-0.1 -0.648 81.5 -18.8 106.4-170.5 75.0 -29.9 41.7 105 127 A K E -c 60 0B 52 -46,-2.1 -44,-2.8 -2,-0.2 2,-0.3 -0.301 55.3-120.9 -73.8 154.6 74.6 -32.2 38.7 106 128 A A E - d 0 140B 13 33,-2.0 35,-2.0 -46,-0.2 2,-0.5 -0.715 25.5-139.2 -92.3 144.8 75.7 -31.6 35.1 107 129 A V E -cd 65 141B 1 -43,-1.8 -41,-2.6 -2,-0.3 2,-0.6 -0.935 11.2-163.9-115.2 126.2 73.1 -31.6 32.5 108 130 A D E -cd 66 142B 16 33,-2.5 35,-2.9 -2,-0.5 2,-0.6 -0.934 8.0-164.8-105.3 121.6 73.5 -33.2 29.1 109 131 A V E -cd 67 143B 1 -43,-2.7 -41,-3.9 -2,-0.6 2,-0.6 -0.930 2.6-162.2-109.6 120.9 70.9 -32.1 26.5 110 132 A Y E -cd 68 144B 63 33,-2.9 35,-2.6 -2,-0.6 2,-0.6 -0.890 2.1-158.0-105.7 120.9 70.7 -34.2 23.4 111 133 A L E -cd 69 145B 1 -43,-3.1 -41,-2.6 -2,-0.6 2,-0.6 -0.858 8.0-174.3-102.2 120.5 69.0 -32.8 20.4 112 134 A V E - d 0 146B 24 33,-2.5 35,-2.6 -2,-0.6 2,-0.7 -0.896 2.5-178.6-116.9 100.2 67.6 -35.2 17.9 113 135 A N E - d 0 147B 1 -2,-0.6 35,-0.2 -42,-0.2 37,-0.1 -0.886 10.7-163.2-100.7 108.4 66.3 -33.6 14.7 114 136 A E S S+ 0 0 86 33,-2.8 34,-0.2 -2,-0.7 -1,-0.1 0.633 86.6 31.9 -67.5 -22.7 64.9 -36.4 12.5 115 137 A N S > S+ 0 0 89 32,-0.3 3,-2.1 3,-0.1 35,-0.3 -0.590 71.4 173.1-133.4 72.8 64.8 -34.3 9.3 116 138 A P T 3 S+ 0 0 14 0, 0.0 -41,-2.4 0, 0.0 -37,-0.1 0.460 71.6 61.1 -66.6 -7.0 67.7 -31.9 9.8 117 139 A N T 3 S+ 0 0 112 -44,-0.2 2,-0.4 -43,-0.2 -44,-0.1 0.563 81.3 103.2 -90.5 -11.7 67.5 -30.4 6.3 118 140 A E < + 0 0 113 -3,-2.1 32,-0.6 1,-0.1 33,-0.2 -0.561 26.6 136.6 -82.1 122.4 64.0 -29.1 6.8 119 141 A K + 0 0 83 -2,-0.4 2,-0.3 30,-0.1 -1,-0.1 0.286 31.2 115.2-146.4 16.0 63.6 -25.4 7.5 120 142 A A - 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0 0 85 -15,-0.3 2,-0.7 -2,-0.1 -15,-0.2 -0.463 33.1-126.5 -64.4 133.2 39.5 -3.6 27.3 473 495 A I - 0 0 6 -17,-0.3 -1,-0.1 -20,-0.3 -22,-0.1 -0.773 23.9-149.2 -92.0 113.3 39.7 -7.3 26.6 474 496 A G > - 0 0 22 -2,-0.7 4,-1.6 1,-0.1 3,-0.4 -0.269 26.0-109.5 -74.0 161.3 41.1 -9.2 29.6 475 497 A W H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.830 116.1 64.1 -61.9 -30.8 43.2 -12.3 29.4 476 498 A Q H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 105.5 45.6 -59.6 -44.6 40.3 -14.3 30.8 477 499 A K H > S+ 0 0 105 -3,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.878 111.2 50.5 -66.4 -41.3 38.3 -13.5 27.7 478 500 A V H >< S+ 0 0 1 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.927 110.7 50.1 -64.2 -38.8 41.1 -14.2 25.3 479 501 A Y H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 110.1 48.7 -63.3 -45.7 41.7 -17.6 26.9 480 502 A D H 3< S+ 0 0 73 -4,-1.9 2,-0.7 -5,-0.2 -1,-0.2 0.553 84.0 104.7 -71.2 -11.5 38.1 -18.7 26.7 481 503 A N << - 0 0 25 -4,-0.7 3,-0.1 -3,-0.7 -4,-0.0 -0.633 57.9-168.4 -79.1 113.0 37.7 -17.6 23.1 482 504 A S > - 0 0 13 -2,-0.7 4,-2.2 1,-0.1 5,-0.1 -0.909 30.8-163.9-116.6 121.2 37.7 -20.9 21.3 483 505 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.842 96.1 59.5 -63.5 -34.6 38.0 -21.5 17.6 484 506 A A H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 7,-0.1 0.892 109.5 42.5 -63.6 -43.3 36.7 -25.1 18.1 485 507 A V H 4 S+ 0 0 100 2,-0.2 -1,-0.2 1,-0.2 -4,-0.0 0.895 115.0 50.4 -65.4 -43.3 33.6 -23.8 19.6 486 508 A I H < S+ 0 0 33 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.849 123.6 28.5 -63.4 -37.5 33.3 -21.1 17.0 487 509 A A H >< S+ 0 0 5 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.590 81.4 179.5-101.6 -19.7 33.7 -23.5 14.0 488 510 A L G >< S+ 0 0 94 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 -0.238 73.0 7.8 56.1-124.6 32.4 -26.8 15.4 489 511 A E G 3 S+ 0 0 123 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.676 127.6 61.2 -64.6 -18.9 32.6 -29.6 12.8 490 512 A H G X + 0 0 44 -3,-1.9 3,-2.4 1,-0.2 4,-0.3 0.224 67.0 123.4 -94.3 18.4 34.6 -27.4 10.4 491 513 A R G X + 0 0 145 -3,-1.5 3,-2.2 1,-0.3 -1,-0.2 0.737 61.2 65.2 -55.6 -36.0 37.4 -27.0 12.8 492 514 A D G 3 S+ 0 0 159 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.734 94.3 61.4 -65.6 -21.2 40.0 -28.4 10.5 493 515 A Q G < S+ 0 0 46 -3,-2.4 -49,-2.3 -6,-0.1 2,-0.9 0.535 82.6 93.6 -76.3 -11.4 39.4 -25.4 8.2 494 516 A V E < - p 0 444D 5 -3,-2.2 -49,-0.2 -4,-0.3 3,-0.1 -0.790 57.1-170.2 -88.8 112.3 40.5 -23.1 11.0 495 517 A L E - 0 0 16 -51,-2.3 -306,-2.1 -2,-0.9 2,-0.3 0.772 51.1 -94.7 -66.8 -29.1 44.1 -22.5 10.4 496 518 A G E -ip 189 445D 0 -52,-0.9 -50,-2.4 -308,-0.2 2,-0.3 -0.998 46.3 -61.4 149.0-149.3 44.4 -20.8 13.8 497 519 A G E -ip 190 446D 1 -308,-1.7 -306,-2.3 -2,-0.3 2,-0.3 -0.937 22.5-156.5-142.4 162.2 44.3 -17.4 15.4 498 520 A E E -i 191 0D 0 -52,-2.3 2,-0.4 -2,-0.3 -306,-0.2 -0.941 14.6-140.0-145.5 125.9 45.9 -14.0 15.6 499 521 A A E -i 192 0D 0 -308,-2.0 -306,-3.0 -2,-0.3 2,-0.5 -0.630 28.3-141.3 -76.1 131.7 45.9 -11.3 18.2 500 522 A A E -iq 193 453D 0 -48,-2.8 -46,-2.1 -2,-0.4 -45,-0.7 -0.841 21.9-178.5-105.6 123.8 45.7 -7.9 16.7 501 523 A L E -i 194 0D 0 -308,-2.1 -306,-1.9 -2,-0.5 2,-0.2 -0.830 9.2-174.1-115.4 91.8 47.5 -4.8 17.8 502 524 A W - 0 0 23 -2,-0.6 3,-0.3 -308,-0.2 -306,-0.0 -0.572 18.5-141.5 -75.7 149.0 46.4 -1.9 15.6 503 525 A S > + 0 0 0 -2,-0.2 3,-1.4 1,-0.2 -1,-0.1 0.103 66.1 113.9-114.6 22.1 48.5 1.1 16.4 504 526 A E T 3 S+ 0 0 35 1,-0.3 -1,-0.2 -305,-0.0 3,-0.0 0.855 105.9 21.5 -58.0 -32.7 46.4 4.2 16.4 505 527 A Q T 3 S+ 0 0 50 -3,-0.3 2,-0.3 -306,-0.1 -1,-0.3 -0.188 119.3 73.8-127.5 34.3 47.2 4.2 20.0 506 528 A S < + 0 0 3 -3,-1.4 2,-0.2 -311,-0.1 -51,-0.0 -0.985 43.2 143.5-150.2 147.8 50.3 2.1 20.2 507 529 A D >> - 0 0 55 -2,-0.3 4,-1.3 -309,-0.0 3,-0.7 -0.757 66.4 -50.0-154.9-159.5 54.0 2.3 19.4 508 530 A T T 34 S+ 0 0 42 -308,-1.0 4,-0.4 1,-0.2 3,-0.3 0.867 128.9 54.6 -57.0 -43.1 57.4 1.2 20.6 509 531 A S T 34 S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.812 117.9 30.5 -62.3 -38.2 56.7 2.5 24.1 510 532 A T T <> S+ 0 0 45 -3,-0.7 4,-2.2 1,-0.1 5,-0.2 0.400 89.1 99.3-103.4 -5.1 53.5 0.5 24.7 511 533 A L H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.3 5,-0.3 0.895 79.5 52.6 -59.1 -41.2 54.1 -2.5 22.7 512 534 A D H > S+ 0 0 5 -4,-0.4 4,-2.2 1,-0.2 44,-0.3 0.940 113.6 43.9 -62.8 -46.8 55.2 -4.8 25.6 513 535 A G H 4 S+ 0 0 14 42,-0.2 43,-0.3 -4,-0.2 5,-0.3 0.842 109.9 54.9 -63.8 -38.5 52.1 -4.0 27.7 514 536 A R H < S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.920 119.6 31.9 -63.0 -44.1 49.6 -4.3 24.8 515 537 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.805 98.3 103.9 -86.5 -34.8 50.8 -7.8 23.9 516 538 A W T < S- 0 0 0 -4,-2.2 40,-2.6 1,-0.3 -1,-0.1 -0.914 90.2 -6.3-118.9 135.3 51.9 -9.5 27.2 517 539 A P T >> S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.982 124.1 66.9 -95.8 9.6 50.7 -11.4 28.9 518 540 A R H >> S+ 0 0 4 1,-0.3 3,-1.2 -5,-0.3 4,-1.1 0.844 95.0 59.0 -58.5 -37.9 47.5 -11.5 26.9 519 541 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 -1,-0.3 0.742 96.0 65.4 -63.6 -25.9 49.0 -13.0 23.9 520 542 A A H <> S+ 0 0 0 -3,-1.6 4,-2.0 -5,-0.3 -1,-0.3 0.831 96.2 55.6 -63.3 -33.5 50.1 -15.9 26.1 521 543 A A H S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.8 0.919 113.0 54.2 -67.5 -44.0 47.7 -21.7 25.0 525 547 A R H X5S+ 0 0 10 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.918 115.7 39.8 -59.2 -44.4 44.3 -21.7 23.4 526 548 A L H <5S+ 0 0 1 -4,-2.7 -339,-1.4 -5,-0.2 -340,-0.5 0.826 119.1 44.4 -70.1 -40.8 45.9 -22.3 20.0 527 549 A W H <5S+ 0 0 0 -4,-2.0 -341,-1.7 -5,-0.3 -2,-0.2 0.927 133.8 12.3 -67.7 -46.3 48.5 -24.8 21.1 528 550 A A H <5S- 0 0 9 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.647 75.5-149.1-108.4 -25.9 46.4 -26.9 23.3 529 551 A E << - 0 0 29 -4,-1.2 -4,-0.1 -5,-0.8 -3,-0.1 0.890 30.1-149.7 47.9 54.8 42.7 -26.0 22.8 530 552 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -482,-0.0 -0.166 22.0-146.1 -61.8 142.1 41.9 -26.9 26.4 531 553 A A S S+ 0 0 113 -3,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.763 83.3 83.2 -67.4 -30.0 38.5 -28.1 27.3 532 554 A T S S- 0 0 54 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.282 78.1-123.9 -74.1 160.4 39.1 -26.2 30.5 533 555 A S >> - 0 0 40 -2,-0.1 3,-0.9 1,-0.0 4,-0.8 -0.305 36.0 -80.2-100.2-175.6 38.5 -22.6 31.1 534 556 A W H >> S+ 0 0 60 1,-0.2 3,-0.9 -58,-0.2 4,-0.6 0.846 120.7 60.3 -59.8 -36.8 40.6 -19.6 32.3 535 557 A Q H >4 S+ 0 0 92 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.834 100.3 56.0 -63.3 -32.6 40.3 -20.3 36.0 536 558 A D H <4 S+ 0 0 99 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.772 113.9 40.6 -65.2 -29.8 42.0 -23.6 35.5 537 559 A A H S+ 0 0 55 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.899 113.7 49.8 -62.8 -40.9 48.1 -19.7 38.4 540 562 A R H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 107.4 55.2 -63.6 -37.4 50.2 -20.7 35.5 541 563 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.890 104.6 53.9 -63.8 -38.3 49.3 -17.5 33.8 542 564 A L H X S+ 0 0 15 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.892 110.0 48.0 -62.3 -39.2 50.5 -15.5 36.8 543 565 A H H X S+ 0 0 17 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.930 107.7 52.8 -66.9 -45.3 53.8 -17.3 36.5 544 566 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.885 104.9 56.5 -61.0 -36.3 54.3 -16.8 32.8 545 567 A R H X S+ 0 0 43 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.964 106.7 50.5 -58.7 -44.9 53.7 -13.0 33.3 546 568 A E H X S+ 0 0 60 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.870 108.4 52.9 -60.4 -38.2 56.6 -13.1 35.8 547 569 A R H X S+ 0 0 14 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.887 105.3 52.3 -63.6 -43.0 58.7 -14.9 33.3 548 570 A L H <>S+ 0 0 1 -4,-2.2 5,-2.1 2,-0.2 4,-0.5 0.927 109.2 51.2 -61.1 -42.1 58.1 -12.3 30.6 549 571 A V H ><5S+ 0 0 43 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.916 107.2 53.1 -61.8 -38.6 59.2 -9.6 33.2 550 572 A R H 3<5S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.895 104.1 57.2 -63.4 -34.0 62.3 -11.6 33.8 551 573 A M T 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.580 125.3-103.7 -68.8 -12.1 63.0 -11.6 30.1 552 574 A G T < 5S+ 0 0 26 -3,-1.5 2,-0.3 -4,-0.5 -3,-0.2 0.490 76.4 140.4 91.6 6.2 62.9 -7.8 30.1 553 575 A I < - 0 0 3 -5,-2.1 2,-1.9 -6,-0.2 -1,-0.3 -0.672 56.3-131.3 -78.5 132.3 59.4 -7.5 28.7 554 576 A Q - 0 0 138 -2,-0.3 -38,-0.2 -3,-0.1 -5,-0.1 -0.489 40.2-174.5 -84.9 68.1 57.3 -4.8 30.2 555 577 A A - 0 0 8 -2,-1.9 -42,-0.2 -10,-0.2 -43,-0.1 -0.323 28.7-102.1 -67.3 146.5 54.3 -7.0 30.8 556 578 A E - 0 0 79 -40,-2.6 2,-0.5 -44,-0.3 -1,-0.1 -0.300 37.4-116.2 -61.0 150.1 51.0 -5.8 32.0 557 579 A S - 0 0 71 1,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.810 29.7-175.9 -94.3 128.8 50.4 -6.6 35.6 558 580 A L - 0 0 52 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.0 0.874 59.0 -10.6 -92.6 -43.8 47.5 -8.9 36.2 559 581 A Q S S- 0 0 43 -17,-0.1 -1,-0.3 0, 0.0 5,-0.1 -0.927 85.6 -69.7-147.6 170.5 47.0 -9.3 40.0 560 582 A P >> - 0 0 84 0, 0.0 4,-1.0 0, 0.0 3,-0.9 -0.352 39.9-125.0 -63.7 145.7 48.7 -8.4 43.2 561 583 A E H 3> S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.864 111.3 69.0 -59.7 -28.6 51.8 -10.4 43.8 562 584 A W H 3> S+ 0 0 128 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.902 96.5 53.3 -57.9 -39.3 50.2 -11.3 47.1 563 585 A f H <4 S+ 0 0 10 -3,-0.9 3,-0.3 1,-0.2 -1,-0.3 0.887 105.9 51.1 -61.3 -42.3 47.8 -13.3 45.1 564 586 A Y H < S+ 0 0 11 -4,-1.0 3,-0.4 -3,-0.3 -1,-0.2 0.831 114.4 44.8 -61.9 -39.5 50.6 -15.2 43.3 565 587 A Q H < S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.2 -549,-0.2 0.599 118.5 45.0 -76.5 -19.7 52.1 -16.0 46.7 566 588 A N S >< S- 0 0 15 -4,-1.0 3,-1.6 -3,-0.3 4,-0.4 -0.524 80.9-159.9-131.0 69.3 48.7 -16.9 48.2 567 589 A E T 3 S+ 0 0 12 -553,-0.7 -3,-0.1 -3,-0.4 -554,-0.1 -0.170 72.6 17.7 -57.4 132.4 46.8 -19.1 45.8 568 590 A G T 3 S+ 0 0 28 2,-0.3 -1,-0.2 -5,-0.1 -5,-0.1 0.099 95.8 93.5 94.4 -18.3 43.1 -19.2 46.4 569 591 A Y S < S+ 0 0 156 -3,-1.6 2,-0.7 -6,-0.2 -2,-0.1 0.778 79.1 62.5 -71.8 -23.9 42.6 -16.2 48.5 570 592 A f S S+ 0 0 44 -4,-0.4 2,-0.3 -7,-0.2 -2,-0.3 -0.872 73.5 120.5-111.9 106.0 41.8 -14.0 45.6 571 593 A Y 0 0 201 -2,-0.7 0, 0.0 -3,-0.1 0, 0.0 -0.967 360.0 360.0-154.8 165.4 38.7 -15.0 43.7 572 594 A S 0 0 167 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.030 360.0 360.0-167.5 360.0 35.3 -13.9 42.6