==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-99 1QNR . COMPND 2 MOLECULE: ENDO-1,4-B-D-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI; . AUTHOR E.SABINI,H.SCHUBERT,G.MURSHUDOV,K.S.WILSON,M.SIIKA-AHO, . 344 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 1 1 1 1 0 1 0 0 0 3 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 2 1 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 2 1 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 . 1 2 0 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 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 A 0 0 116 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.5 -0.7 52.3 9.9 2 2 A S + 0 0 66 14,-0.0 2,-0.3 12,-0.0 158,-0.1 -0.963 360.0 147.2-140.8 113.7 2.1 50.0 8.8 3 3 A S - 0 0 48 -2,-0.4 12,-0.4 156,-0.2 2,-0.1 -0.868 55.0 -73.1-136.0 180.0 5.4 50.0 10.8 4 4 A F - 0 0 63 -2,-0.3 2,-0.3 1,-0.1 155,-0.1 -0.439 54.4-109.2 -78.3 146.8 8.0 47.3 11.7 5 5 A V + 0 0 2 156,-0.6 194,-0.3 154,-0.2 2,-0.2 -0.530 50.7 167.5 -74.6 126.8 6.8 44.7 14.3 6 6 A T E -A 13 0A 62 7,-1.7 7,-2.9 -2,-0.3 2,-0.5 -0.775 36.0-105.9-129.6 175.1 8.7 45.3 17.6 7 7 A I E -A 12 0A 53 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.965 25.4-174.9-106.8 133.5 8.5 44.2 21.3 8 8 A S E > S-A 11 0A 57 3,-2.2 3,-2.3 -2,-0.5 2,-0.1 -0.977 70.8 -36.3-125.9 118.0 7.2 46.7 24.0 9 9 A G T 3 S- 0 0 68 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.532 121.9 -36.2 64.8-132.2 7.5 45.2 27.5 10 10 A T T 3 S+ 0 0 21 -2,-0.1 2,-0.3 260,-0.1 -1,-0.2 -0.005 126.3 83.0-114.6 35.3 6.7 41.4 27.1 11 11 A Q E < S-A 8 0A 83 -3,-2.3 -3,-2.2 260,-0.1 2,-0.3 -0.782 80.9-106.3-127.5 163.6 4.1 42.1 24.5 12 12 A F E -A 7 0A 0 7,-0.3 7,-2.0 289,-0.3 2,-0.6 -0.706 17.1-147.3 -92.5 146.0 4.2 42.7 20.7 13 13 A N E -AB 6 18A 38 -7,-2.9 -7,-1.7 -2,-0.3 2,-0.5 -0.960 21.0-179.3-110.2 108.6 3.6 46.1 19.0 14 14 A I E > S- B 0 17A 9 3,-2.6 3,-1.9 -2,-0.6 -9,-0.1 -0.971 71.4 -22.2-115.1 116.5 1.9 45.5 15.7 15 15 A D T 3 S- 0 0 32 -2,-0.5 -1,-0.2 -12,-0.4 3,-0.1 0.820 129.1 -49.4 49.4 42.5 1.2 48.6 13.6 16 16 A G T 3 S+ 0 0 51 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.386 114.7 114.6 88.2 -9.6 1.3 50.8 16.8 17 17 A K E < -B 14 0A 149 -3,-1.9 -3,-2.6 2,-0.1 2,-0.5 -0.904 51.0-156.4-101.7 119.1 -1.0 48.6 18.8 18 18 A V E +B 13 0A 69 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.778 46.6 78.9 -97.3 124.5 0.5 46.8 21.9 19 19 A G S S- 0 0 21 -7,-2.0 -7,-0.3 -2,-0.5 -5,-0.1 -0.898 79.0 -42.6 159.1 169.7 -1.3 43.7 23.0 20 20 A Y - 0 0 36 -2,-0.3 2,-0.3 323,-0.1 282,-0.2 -0.261 53.5-158.7 -57.4 143.0 -2.1 39.9 22.6 21 21 A F E -c 302 0B 4 280,-1.5 282,-1.6 29,-0.0 2,-0.4 -0.931 13.1-146.7-125.6 152.3 -2.6 38.7 19.0 22 22 A A E +c 303 0B 6 -2,-0.3 29,-2.7 27,-0.3 30,-0.6 -0.943 29.9 158.1-108.8 141.8 -4.3 35.7 17.4 23 23 A G E -cd 304 52B 1 280,-2.7 282,-1.0 -2,-0.4 2,-0.3 -0.727 23.9-134.1-141.8-168.7 -2.8 34.2 14.1 24 24 A T E -cd 305 53B 0 28,-2.0 30,-2.1 280,-0.3 2,-0.4 -0.974 18.3-110.9-150.2 160.9 -2.8 31.0 12.0 25 25 A N E + d 0 54B 0 280,-1.9 283,-2.8 -2,-0.3 282,-0.4 -0.825 32.1 165.9 -94.7 131.4 -0.5 28.6 10.2 26 26 A a >> + 0 0 0 28,-3.2 3,-1.2 -2,-0.4 4,-0.5 -0.583 4.1 164.0-139.9 70.5 -0.8 28.5 6.3 27 27 A Y G >4 S+ 0 0 34 1,-0.3 29,-1.2 28,-0.2 3,-0.9 0.891 75.9 55.0 -56.5 -37.6 2.3 26.7 5.1 28 28 A W G >4 S+ 0 0 5 1,-0.2 3,-1.9 2,-0.2 4,-0.3 0.587 82.7 83.7 -81.0 -10.2 0.8 26.1 1.7 29 29 A a G X4 S+ 0 0 0 -3,-1.2 3,-1.3 1,-0.3 -1,-0.2 0.899 84.8 62.0 -59.9 -33.5 0.0 29.8 1.0 30 30 A S G << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.649 102.9 48.7 -66.6 -14.8 3.6 30.2 -0.3 31 31 A F G < S+ 0 0 29 -3,-1.9 2,-0.3 60,-0.1 -1,-0.2 0.269 77.6 120.3-112.6 7.1 3.2 27.6 -3.1 32 32 A L < - 0 0 27 -3,-1.3 63,-0.1 -4,-0.3 6,-0.0 -0.582 41.4-169.2 -68.4 134.6 -0.1 29.0 -4.6 33 33 A T + 0 0 103 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.678 66.2 76.3-103.0 -16.2 0.5 30.0 -8.3 34 34 A N >> - 0 0 84 1,-0.2 3,-1.6 2,-0.0 4,-1.2 -0.854 69.7-151.8 -94.6 117.8 -2.8 31.8 -8.9 35 35 A H H 3> S+ 0 0 100 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.826 94.3 64.0 -56.1 -31.8 -2.7 35.3 -7.3 36 36 A A H 3> S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.830 99.6 53.5 -63.6 -30.9 -6.5 35.3 -6.9 37 37 A D H <> S+ 0 0 18 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.848 108.5 47.6 -76.8 -31.9 -6.1 32.3 -4.5 38 38 A V H X S+ 0 0 2 -4,-1.2 4,-2.9 2,-0.2 5,-0.3 0.957 113.7 49.8 -67.9 -41.5 -3.6 34.1 -2.2 39 39 A D H X S+ 0 0 38 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.926 111.3 46.4 -69.5 -38.6 -5.9 37.2 -2.2 40 40 A S H X S+ 0 0 33 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.937 114.5 47.7 -69.7 -38.4 -9.1 35.3 -1.3 41 41 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.947 114.8 44.9 -65.1 -46.9 -7.3 33.4 1.5 42 42 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.863 108.8 57.6 -69.1 -30.3 -5.7 36.5 3.0 43 43 A S H X S+ 0 0 56 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.951 109.8 45.3 -59.7 -43.7 -9.0 38.4 2.7 44 44 A H H X S+ 0 0 44 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.921 112.8 49.0 -68.1 -41.4 -10.7 35.7 4.9 45 45 A I H <>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 4,-0.4 0.953 115.1 45.4 -64.6 -43.4 -7.8 35.6 7.5 46 46 A S H ><5S+ 0 0 46 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.931 111.8 49.9 -67.0 -44.7 -7.9 39.4 7.8 47 47 A S H 3<5S+ 0 0 83 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 104.1 61.0 -68.3 -20.4 -11.7 39.8 8.0 48 48 A S T 3<5S- 0 0 10 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.663 120.1-110.6 -74.4 -12.5 -11.7 37.0 10.7 49 49 A G T < 5 + 0 0 36 -3,-1.6 -27,-0.3 -4,-0.4 2,-0.3 0.549 69.4 142.2 96.9 4.8 -9.5 39.4 12.9 50 50 A L < - 0 0 7 -5,-1.7 -1,-0.3 1,-0.1 -27,-0.2 -0.604 30.2-170.0 -78.6 148.7 -6.3 37.4 12.7 51 51 A K + 0 0 87 -29,-2.7 54,-2.1 -2,-0.3 2,-0.4 0.620 61.5 47.2-115.5 -15.2 -3.1 39.5 12.5 52 52 A V E -de 23 105B 0 -30,-0.6 -28,-2.0 52,-0.2 2,-0.4 -0.987 55.2-167.8-138.9 136.6 -0.2 37.1 11.8 53 53 A V E -de 24 106B 0 52,-2.5 54,-2.1 -2,-0.4 2,-0.5 -0.992 13.9-145.7-125.8 135.2 0.2 34.2 9.3 54 54 A R E +de 25 107B 0 -30,-2.1 -28,-3.2 -2,-0.4 2,-0.3 -0.882 27.6 173.0-101.2 123.0 3.1 31.5 9.3 55 55 A V - 0 0 0 52,-2.1 2,-0.3 -2,-0.5 -28,-0.2 -0.932 37.4 -97.8-127.6 153.4 4.1 30.4 5.7 56 56 A W - 0 0 9 -29,-1.2 54,-0.1 -2,-0.3 52,-0.1 -0.491 24.0-168.1 -73.4 136.9 7.0 28.2 4.5 57 57 A G + 0 0 0 52,-1.5 2,-0.3 -2,-0.3 -1,-0.1 0.254 67.9 63.2-103.6 19.7 10.1 30.1 3.3 58 58 A F + 0 0 0 2,-0.0 53,-0.1 53,-0.0 2,-0.1 -0.921 40.1 169.1-140.1 155.6 11.6 27.0 1.7 59 59 A N - 0 0 15 -2,-0.3 13,-2.4 2,-0.1 14,-1.9 -0.551 26.7-173.1-166.7 87.9 10.9 24.4 -1.0 60 60 A D E +j 73 0C 5 57,-2.4 2,-0.3 12,-0.2 14,-0.2 -0.771 7.1 173.6 -97.8 135.8 14.1 22.3 -1.5 61 61 A V E -j 74 0C 29 12,-2.4 14,-2.8 -2,-0.4 3,-0.1 -0.903 30.7-153.8-135.0 158.7 14.7 19.7 -4.2 62 62 A N S S+ 0 0 50 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.631 92.9 33.7-105.0 -19.8 17.6 17.5 -5.3 63 63 A T S S- 0 0 108 13,-0.0 -1,-0.3 11,-0.0 12,-0.0 -0.992 97.7-105.5-129.5 141.8 16.3 17.2 -8.9 64 64 A Q - 0 0 112 -2,-0.4 7,-0.0 -3,-0.1 10,-0.0 -0.418 44.6-119.0 -67.0 140.8 14.4 20.0 -10.7 65 65 A P - 0 0 38 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.059 40.8 -63.3 -75.3 175.6 10.7 19.1 -10.8 66 66 A S S > S- 0 0 87 1,-0.2 3,-2.1 2,-0.1 0, 0.0 -0.176 77.0 -80.4 -53.6 145.2 8.4 18.6 -13.8 67 67 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.124 119.2 26.6 -51.2 128.8 8.1 21.9 -15.7 68 68 A G T 3 S+ 0 0 58 1,-0.4 2,-0.1 -3,-0.1 -2,-0.1 0.124 92.0 122.7 100.1 -19.6 5.6 24.4 -14.1 69 69 A Q < - 0 0 110 -3,-2.1 -1,-0.4 1,-0.1 2,-0.2 -0.462 66.9-109.7 -73.3 143.9 6.1 23.0 -10.6 70 70 A I + 0 0 23 -39,-0.1 2,-0.3 -2,-0.1 18,-0.2 -0.535 43.5 160.3 -78.6 139.8 7.3 25.3 -7.8 71 71 A W - 0 0 11 16,-2.1 -11,-0.2 -2,-0.2 3,-0.1 -0.943 23.0-170.7-152.2 138.3 10.8 25.0 -6.4 72 72 A F S S+ 0 0 0 -13,-2.4 11,-2.3 1,-0.3 2,-0.3 0.724 75.2 11.6-100.7 -29.8 12.9 27.6 -4.4 73 73 A Q E -jK 60 82C 0 -14,-1.9 -12,-2.4 9,-0.2 2,-0.5 -0.973 55.2-151.7-151.4 137.8 16.3 25.8 -4.2 74 74 A K E -jK 61 81C 62 7,-2.8 7,-2.0 -2,-0.3 2,-0.5 -0.948 19.5-152.9-109.8 123.2 18.0 22.8 -5.9 75 75 A L + 0 0 2 -14,-2.8 2,-0.3 -2,-0.5 5,-0.1 -0.886 26.1 157.5-100.6 120.6 20.7 21.2 -3.7 76 76 A S > - 0 0 25 -2,-0.5 3,-1.7 1,-0.1 50,-0.1 -0.998 49.2-127.9-145.2 150.0 23.6 19.4 -5.5 77 77 A A T 3 S+ 0 0 81 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.689 111.0 49.9 -65.9 -22.3 27.1 18.4 -4.7 78 78 A T T 3 S- 0 0 138 1,-0.3 -1,-0.3 -3,-0.0 2,-0.0 0.176 133.4 -36.9-108.4 21.5 28.3 20.0 -8.0 79 79 A G < - 0 0 50 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.120 58.3-132.8 126.8 121.6 26.6 23.4 -7.5 80 80 A S - 0 0 28 -3,-0.1 2,-0.4 -5,-0.1 -5,-0.2 -0.552 15.5-146.6 -96.9 158.5 23.3 24.4 -6.1 81 81 A T E -K 74 0C 70 -7,-2.0 -7,-2.8 -2,-0.2 2,-0.5 -0.992 3.9-151.6-129.4 135.7 20.8 26.8 -7.6 82 82 A I E -K 73 0C 41 -2,-0.4 2,-0.8 -9,-0.2 -9,-0.2 -0.890 24.4-135.4-103.0 121.9 18.4 29.3 -5.9 83 83 A N + 0 0 18 -11,-2.3 6,-2.7 -2,-0.5 7,-0.1 -0.742 35.0 163.4 -89.3 108.9 15.3 29.9 -8.1 84 84 A T + 0 0 72 -2,-0.8 -1,-0.1 4,-0.2 -12,-0.1 0.233 46.7 105.8-103.7 16.0 14.2 33.5 -8.5 85 85 A G S > >S- 0 0 23 4,-0.1 3,-2.0 1,-0.1 5,-1.5 -0.011 92.4 -82.7 -84.5-172.3 12.0 32.9 -11.5 86 86 A A T 3 5S+ 0 0 76 1,-0.3 -1,-0.1 4,-0.1 -16,-0.0 0.782 132.2 47.4 -66.6 -23.6 8.2 32.7 -11.9 87 87 A D T 3 5S+ 0 0 55 3,-0.1 -16,-2.1 -18,-0.1 -1,-0.3 0.135 119.4 45.7 -99.5 18.8 8.1 29.1 -10.7 88 88 A G T X 5S- 0 0 0 -3,-2.0 3,-2.2 -18,-0.2 4,-0.5 -0.077 122.3 -17.4-130.1-128.0 10.4 30.0 -7.8 89 89 A L T 3>5S+ 0 0 0 -6,-2.7 4,-2.2 1,-0.3 -5,-0.1 0.601 114.5 80.2 -66.0 -14.8 10.6 32.9 -5.2 90 90 A Q H 3> S+ 0 0 12 -3,-2.2 4,-1.3 -6,-0.3 -1,-0.2 0.934 108.4 44.9 -66.3 -44.3 5.4 33.0 -5.7 92 92 A L H > S+ 0 0 0 -4,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.889 105.8 61.6 -67.9 -28.4 6.6 34.1 -2.2 93 93 A D H X S+ 0 0 46 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.890 103.7 49.6 -62.2 -39.0 7.0 37.7 -3.4 94 94 A Y H X S+ 0 0 27 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.872 106.8 55.2 -65.7 -38.5 3.2 37.8 -4.1 95 95 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.938 110.5 45.0 -58.5 -44.9 2.5 36.4 -0.6 96 96 A V H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.932 112.2 52.4 -66.7 -37.2 4.5 39.3 0.9 97 97 A Q H X S+ 0 0 101 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.913 111.9 46.2 -59.1 -46.0 2.7 41.8 -1.5 98 98 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.869 109.5 53.8 -68.2 -37.6 -0.7 40.5 -0.4 99 99 A A H X>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.2 4,-0.6 0.947 108.6 50.3 -62.7 -42.8 0.2 40.6 3.3 100 100 A E H ><5S+ 0 0 92 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.933 113.5 45.5 -59.3 -41.7 1.2 44.3 2.8 101 101 A Q H 3<5S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.831 117.3 42.7 -70.1 -35.4 -2.2 45.0 1.1 102 102 A H H 3<5S- 0 0 28 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.307 110.6-117.1 -94.0 3.1 -4.3 43.1 3.7 103 103 A N T <<5 + 0 0 100 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.891 66.7 141.3 61.4 42.1 -2.3 44.5 6.8 104 104 A L < - 0 0 2 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.821 43.2-140.4-110.0 155.8 -1.1 41.1 7.8 105 105 A K E -e 52 0B 2 -54,-2.1 -52,-2.5 -2,-0.3 2,-0.4 -0.878 16.6-141.4-114.0 151.4 2.4 40.1 9.2 106 106 A L E -ef 53 161B 0 54,-2.3 56,-2.3 -2,-0.3 57,-1.5 -0.910 11.1-154.8-120.8 137.0 4.3 37.0 8.3 107 107 A I E -ef 54 163B 0 -54,-2.1 -52,-2.1 -2,-0.4 57,-0.2 -0.943 24.7-170.6 -98.9 128.3 6.5 34.5 10.2 108 108 A I E - f 0 164B 0 55,-2.0 57,-2.1 -2,-0.5 2,-0.2 -0.918 9.6-161.2-130.9 106.0 8.9 32.8 7.7 109 109 A P E - f 0 165B 0 0, 0.0 -52,-1.5 0, 0.0 57,-0.2 -0.606 10.6-147.9 -81.9 149.5 11.2 29.8 8.5 110 110 A F S S+ 0 0 0 55,-1.7 2,-0.3 -2,-0.2 57,-0.2 0.645 72.7 12.8 -94.1 -18.0 14.2 29.0 6.2 111 111 A V - 0 0 4 54,-0.2 57,-2.8 55,-0.2 2,-0.4 -0.975 69.1-122.1-153.7 156.7 14.5 25.2 6.4 112 112 A N B -l 168 0D 3 -2,-0.3 8,-2.0 55,-0.2 9,-0.2 -0.870 4.5-150.8-101.4 138.2 12.4 22.2 7.6 113 113 A N S S+ 0 0 27 55,-2.3 8,-0.3 -2,-0.4 -1,-0.2 0.892 87.1 62.2 -65.2 -37.1 13.7 19.7 10.2 114 114 A W S S- 0 0 95 54,-0.4 6,-0.2 6,-0.1 -2,-0.2 -0.338 96.8-109.2 -91.0 167.4 11.4 17.2 8.4 115 115 A S S > S+ 0 0 70 4,-0.1 3,-1.7 5,-0.1 2,-0.3 0.544 77.8 116.2 -82.0 0.5 11.6 15.8 4.8 116 116 A D T 3 S+ 0 0 103 1,-0.3 3,-0.2 2,-0.1 -56,-0.1 -0.498 92.5 5.8 -66.7 129.1 8.4 17.6 3.6 117 117 A Y T 3 S- 0 0 76 -2,-0.3 -57,-2.4 1,-0.2 2,-1.2 0.832 135.4 -65.7 58.4 38.5 9.4 20.1 0.9 118 118 A G S <> S+ 0 0 16 -3,-1.7 4,-1.0 -59,-0.2 3,-0.3 -0.558 77.8 176.6 94.1 -73.1 13.0 18.7 1.1 119 119 A G H >> - 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0 0 15 -3,-1.9 2,-0.6 -16,-0.1 -16,-0.2 -0.347 45.8-157.1 -64.2 133.1 -7.4 21.8 9.4 325 325 A V E -m 308 0E 5 -18,-2.8 -16,-1.8 -2,-0.1 2,-0.3 -0.952 21.4-141.4-106.7 107.2 -9.9 24.4 10.6 326 326 A W E > -m 309 0E 79 -2,-0.6 3,-1.9 -18,-0.2 6,-0.5 -0.566 22.7-102.5 -76.7 134.1 -11.9 25.3 7.4 327 327 A Y T 3 S+ 0 0 58 -18,-2.4 -1,-0.1 -2,-0.3 3,-0.1 -0.207 104.0 11.9 -56.8 138.2 -12.9 29.0 7.0 328 328 A N T 3 S+ 0 0 109 1,-0.2 -1,-0.3 -284,-0.1 -2,-0.0 0.430 99.3 124.9 76.0 2.5 -16.6 29.6 7.8 329 329 A S S <> S- 0 0 37 -3,-1.9 4,-2.0 1,-0.1 -1,-0.2 -0.242 80.1 -99.9 -79.3 173.3 -17.2 26.2 9.4 330 330 A S H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.873 126.7 53.4 -63.3 -34.6 -18.5 25.5 12.9 331 331 A N H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.855 104.9 55.2 -70.8 -31.1 -14.9 24.9 14.1 332 332 A W H >>S+ 0 0 37 -6,-0.5 5,-1.9 2,-0.2 4,-1.8 0.892 108.4 49.0 -61.1 -43.6 -14.0 28.4 12.6 333 333 A Q H <>S+ 0 0 114 -4,-2.0 5,-2.5 3,-0.2 6,-0.2 0.948 117.6 41.0 -60.1 -48.3 -16.8 29.9 14.8 334 334 A d H <5S+ 0 0 20 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.895 128.6 25.4 -66.1 -43.3 -15.5 28.0 17.9 335 335 A L H <5S+ 0 0 1 -4,-2.8 -3,-0.2 3,-0.1 -1,-0.2 0.468 133.1 25.8-106.4 -9.2 -11.8 28.5 17.5 336 336 A V T X5S+ 0 0 2 -4,-1.8 4,-3.0 -5,-0.3 5,-0.3 0.658 124.0 33.8-117.2 -72.5 -11.4 31.6 15.4 337 337 A K H > S+ 0 0 11 -6,-0.2 4,-1.9 2,-0.2 3,-0.2 0.962 111.1 48.7 -73.9 -42.4 -11.4 33.5 20.3 340 340 A V H X S+ 0 0 30 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.914 110.7 53.4 -59.0 -37.6 -10.9 36.8 18.5 341 341 A D H < S+ 0 0 81 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.878 107.9 49.7 -67.7 -32.8 -14.0 38.2 20.2 342 342 A A H < S+ 0 0 72 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.803 108.8 52.1 -75.1 -30.2 -12.6 37.2 23.7 343 343 A I H < 0 0 39 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.909 360.0 360.0 -68.7 -37.8 -9.2 38.9 22.9 344 344 A N < 0 0 180 -4,-2.0 -1,-0.0 -5,-0.2 -4,-0.0 -0.535 360.0 360.0-174.1 360.0 -11.0 42.1 22.0