==== 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 LIGASE 29-APR-08 2VSQ . COMPND 2 MOLECULE: SURFACTIN SYNTHETASE SUBUNIT 3; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.TANOVIC,S.A.SAMEL,L.-O.ESSEN,M.A.MARAHIEL . 1274 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 845 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 10.9 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 1 0.1 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 . 100 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 350 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 4 0 1 1 3 1 5 5 5 2 3 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 5 4 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 PARALLEL BRIDGES PER LADDER . 5 2 3 4 2 4 2 2 1 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 . 2 2 0 1 1 3 0 1 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 0 236 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.1 -86.8 6.2 -75.1 2 2 A S - 0 0 101 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.519 360.0-138.3 -62.9 137.7 -87.8 4.9 -71.6 3 3 A Q S S+ 0 0 91 -2,-0.2 2,-0.3 119,-0.2 -1,-0.1 0.513 79.9 44.5 -77.6 -5.3 -87.4 1.1 -71.7 4 4 A F S S- 0 0 42 3,-0.0 2,-0.2 79,-0.0 -2,-0.1 -0.970 71.1-132.4-143.5 153.5 -90.7 0.6 -69.7 5 5 A S >> - 0 0 62 -2,-0.3 3,-0.8 1,-0.1 4,-0.7 -0.656 31.8-108.4-107.2 160.6 -94.3 1.8 -69.6 6 6 A K G >4 S+ 0 0 89 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.857 117.5 61.6 -55.0 -39.6 -96.4 3.0 -66.6 7 7 A D G 34 S+ 0 0 117 1,-0.3 -1,-0.3 76,-0.0 77,-0.1 0.895 98.2 58.1 -52.4 -43.8 -98.5 -0.3 -66.9 8 8 A Q G <4 S+ 0 0 57 -3,-0.8 76,-3.0 75,-0.1 2,-0.4 0.757 84.6 98.9 -60.1 -26.5 -95.4 -2.2 -66.2 9 9 A V E << +A 83 0A 46 -3,-1.2 74,-0.2 -4,-0.7 3,-0.1 -0.504 39.3 166.4 -71.8 122.7 -94.9 -0.4 -62.8 10 10 A Q E - 0 0 88 72,-2.6 2,-0.3 1,-0.4 73,-0.2 0.750 64.7 -21.2-100.4 -35.1 -96.1 -2.5 -59.9 11 11 A D E -A 82 0A 37 71,-1.4 71,-2.6 2,-0.0 -1,-0.4 -0.979 54.2-160.5-167.4 163.0 -94.6 -0.5 -57.0 12 12 A M E +A 81 0A 92 -2,-0.3 2,-0.3 69,-0.2 69,-0.2 -0.983 13.3 162.2-156.2 149.5 -91.8 1.9 -56.1 13 13 A Y E -A 80 0A 19 67,-2.2 67,-3.5 -2,-0.3 2,-0.1 -0.955 38.3 -80.2-158.1 173.2 -89.9 3.1 -53.0 14 14 A Y E -A 79 0A 102 -2,-0.3 2,-0.2 65,-0.2 65,-0.2 -0.330 47.7-105.6 -79.7 166.9 -86.8 4.8 -51.7 15 15 A L - 0 0 2 63,-0.5 -1,-0.1 1,-0.1 0, 0.0 -0.616 27.0-110.4 -95.3 147.1 -83.4 3.2 -51.4 16 16 A S > - 0 0 3 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.336 38.9-107.9 -61.1 154.1 -81.7 2.1 -48.2 17 17 A P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.897 121.7 51.6 -50.2 -39.2 -78.7 4.3 -47.4 18 18 A M H > S+ 0 0 21 315,-0.4 4,-2.5 2,-0.2 3,-0.2 0.962 110.5 46.4 -64.5 -50.7 -76.4 1.4 -48.4 19 19 A Q H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.948 109.2 56.4 -50.5 -53.4 -78.2 0.9 -51.7 20 20 A E H X S+ 0 0 50 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.852 109.3 45.8 -50.4 -41.9 -78.1 4.6 -52.3 21 21 A G H X S+ 0 0 2 -4,-1.9 4,-2.5 -3,-0.2 -1,-0.3 0.908 110.8 51.9 -70.2 -43.2 -74.3 4.6 -51.9 22 22 A M H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 107.8 54.0 -58.9 -43.8 -73.8 1.6 -54.1 23 23 A L H X S+ 0 0 4 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.905 111.1 43.8 -54.5 -48.6 -75.9 3.3 -56.8 24 24 A F H X S+ 0 0 24 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.916 109.1 55.6 -70.0 -44.1 -73.8 6.4 -56.9 25 25 A H H X S+ 0 0 6 -4,-2.5 4,-3.5 1,-0.2 -2,-0.2 0.964 111.8 47.8 -41.8 -56.6 -70.5 4.5 -56.8 26 26 A A H < S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.926 111.7 46.8 -53.9 -53.9 -71.9 2.8 -59.9 27 27 A I H < S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.933 124.4 32.5 -58.2 -43.9 -72.9 5.9 -61.7 28 28 A L H < S+ 0 0 47 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.754 129.7 29.9 -89.3 -27.2 -69.6 7.6 -61.0 29 29 A N S >< S+ 0 0 27 -4,-3.5 3,-0.7 -5,-0.3 -1,-0.2 -0.328 76.6 164.4-131.2 53.7 -67.0 4.7 -61.0 30 30 A P T 3 + 0 0 90 0, 0.0 3,-0.1 0, 0.0 88,-0.1 -0.345 58.5 40.5 -75.4 153.0 -68.4 2.0 -63.4 31 31 A G T 3 S+ 0 0 40 1,-0.4 2,-0.7 84,-0.1 87,-0.1 -0.239 86.0 101.0 102.4 -43.5 -66.2 -0.8 -64.7 32 32 A Q S < S- 0 0 42 -3,-0.7 2,-1.6 1,-0.1 -1,-0.4 -0.717 77.6-140.3 -65.1 116.0 -64.5 -1.2 -61.3 33 33 A S > + 0 0 24 -2,-0.7 3,-0.8 1,-0.2 -1,-0.1 -0.317 49.3 144.9 -84.9 55.0 -66.6 -4.3 -60.3 34 34 A F T 3 S+ 0 0 78 -2,-1.6 -1,-0.2 1,-0.2 349,-0.1 0.958 77.0 24.5 -56.6 -55.8 -67.0 -3.2 -56.7 35 35 A Y T 3 S+ 0 0 47 -3,-0.3 112,-3.3 -13,-0.1 2,-0.7 0.058 92.6 113.0-108.5 23.2 -70.5 -4.6 -56.1 36 36 A L E < -C 146 0B 4 -3,-0.8 2,-0.3 110,-0.2 110,-0.2 -0.876 48.2-164.2 -95.4 115.0 -70.6 -7.3 -58.8 37 37 A E E -C 145 0B 39 108,-2.9 108,-2.1 -2,-0.7 2,-0.4 -0.786 5.7-173.2 -98.7 150.9 -70.7 -10.8 -57.3 38 38 A Q E -C 144 0B 4 -2,-0.3 343,-1.6 343,-0.3 2,-0.5 -0.967 4.4-172.3-150.0 115.5 -70.0 -13.8 -59.4 39 39 A I E -CD 143 380B 2 104,-2.2 104,-2.5 -2,-0.4 2,-0.5 -0.966 8.2-157.7-120.4 123.8 -70.4 -17.4 -58.2 40 40 A T E -CD 142 379B 6 339,-3.0 339,-1.4 -2,-0.5 2,-0.5 -0.913 7.7-165.8-105.5 129.8 -69.1 -20.2 -60.4 41 41 A M E -CD 141 378B 0 100,-2.4 100,-2.0 -2,-0.5 2,-0.6 -0.965 12.6-147.8-121.1 116.4 -70.7 -23.6 -59.8 42 42 A K E -CD 140 377B 71 335,-1.6 335,-1.0 -2,-0.5 334,-1.0 -0.757 22.2-166.1 -84.0 117.4 -69.1 -26.7 -61.2 43 43 A V E -CD 139 375B 0 96,-2.9 96,-2.9 -2,-0.6 2,-0.6 -0.927 10.8-172.4-117.2 115.7 -72.0 -29.1 -62.0 44 44 A K E +CD 138 374B 98 330,-2.7 330,-2.8 -2,-0.6 2,-0.3 -0.916 52.5 34.3-107.9 113.7 -71.5 -32.8 -62.7 45 45 A G E S- D 0 373B 11 92,-2.4 2,-0.4 -2,-0.6 328,-0.2 -0.949 98.4 -27.4 147.6-161.3 -74.6 -34.7 -63.8 46 46 A S - 0 0 60 326,-1.2 2,-0.4 -2,-0.3 91,-0.1 -0.751 55.1-174.8 -90.1 133.2 -77.8 -34.3 -65.9 47 47 A L - 0 0 22 -2,-0.4 2,-1.2 -4,-0.1 3,-0.2 -0.981 21.7-153.0-135.1 116.8 -79.1 -30.8 -66.0 48 48 A N > - 0 0 78 -2,-0.4 4,-1.3 1,-0.2 5,-0.1 -0.767 18.9-179.6 -85.5 94.5 -82.4 -29.8 -67.7 49 49 A I H >> S+ 0 0 15 -2,-1.2 4,-2.8 2,-0.2 3,-0.6 0.942 77.1 56.9 -64.9 -44.9 -81.4 -26.2 -68.5 50 50 A K H 3> S+ 0 0 145 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.921 109.9 45.5 -49.2 -50.3 -84.8 -25.4 -70.1 51 51 A C H 3> S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.766 110.4 54.5 -65.5 -28.3 -86.5 -26.4 -66.8 52 52 A L H < - 0 0 9 -4,-2.3 3,-1.8 1,-0.1 4,-0.5 -0.897 63.1-158.2-121.6 107.1 -88.8 -11.8 -55.4 64 64 A D G > S+ 0 0 26 -2,-0.6 3,-1.7 1,-0.3 19,-0.3 0.771 88.1 70.8 -40.3 -42.5 -89.4 -8.1 -56.2 65 65 A V G > S+ 0 0 2 230,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.838 93.8 55.2 -57.3 -32.5 -85.8 -7.3 -56.1 66 66 A F G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.760 109.4 46.7 -72.8 -20.4 -85.1 -9.1 -59.3 67 67 A R G < S+ 0 0 10 -3,-1.7 16,-2.9 -4,-0.5 2,-0.4 0.173 93.5 111.1-101.5 18.0 -87.8 -7.0 -61.1 68 68 A T E < +B 82 0A 1 -3,-1.3 2,-0.3 14,-0.2 14,-0.2 -0.737 39.0 174.1 -99.3 137.9 -86.4 -3.8 -59.6 69 69 A V E -B 81 0A 6 12,-2.2 12,-3.7 -2,-0.4 2,-0.4 -0.909 25.3-120.0-133.4 165.5 -84.7 -1.1 -61.6 70 70 A F E -B 80 0A 4 51,-2.6 2,-0.4 -2,-0.3 10,-0.2 -0.834 13.4-161.6-119.6 139.8 -83.5 2.3 -60.4 71 71 A I E +B 79 0A 80 8,-2.4 8,-2.4 -2,-0.4 3,-0.1 -0.967 32.3 136.7-118.2 135.1 -84.2 5.9 -61.4 72 72 A H + 0 0 38 -2,-0.4 2,-0.9 6,-0.2 3,-0.2 0.458 37.4 104.1-144.8 -30.2 -81.8 8.7 -60.4 73 73 A E S S- 0 0 147 1,-0.2 3,-0.1 5,-0.0 -1,-0.1 -0.561 101.1 -2.8 -74.8 103.8 -81.4 11.0 -63.3 74 74 A K S S+ 0 0 192 -2,-0.9 -1,-0.2 1,-0.3 2,-0.2 0.913 104.1 105.8 70.7 88.2 -83.5 14.1 -62.5 75 75 A V - 0 0 69 -3,-0.2 -1,-0.3 1,-0.1 4,-0.0 -0.634 67.9-128.2 171.6 137.4 -85.1 13.3 -59.1 76 76 A K S S+ 0 0 215 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.945 99.0 22.5 -67.1 -47.5 -84.4 14.6 -55.6 77 77 A R S S- 0 0 71 -3,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.947 93.8-111.2-118.3 137.6 -84.1 11.2 -54.0 78 78 A P - 0 0 7 0, 0.0 -63,-0.5 0, 0.0 2,-0.4 -0.243 34.0-147.5 -66.0 163.1 -83.4 8.0 -56.0 79 79 A V E -AB 14 71A 23 -8,-2.4 -8,-2.4 -65,-0.2 2,-0.5 -0.980 11.8-140.2-138.7 140.4 -86.1 5.5 -56.4 80 80 A Q E -AB 13 70A 0 -67,-3.5 -67,-2.2 -2,-0.4 2,-0.5 -0.914 22.7-161.3 -95.3 126.8 -86.4 1.7 -56.7 81 81 A V E -AB 12 69A 15 -12,-3.7 -12,-2.2 -2,-0.5 2,-0.5 -0.944 4.8-152.5-117.5 120.7 -89.1 0.7 -59.2 82 82 A V E -AB 11 68A 0 -71,-2.6 -72,-2.6 -2,-0.5 -71,-1.4 -0.771 13.4-147.5 -89.5 127.4 -90.5 -2.8 -59.2 83 83 A L E -A 9 0A 2 -16,-2.9 -74,-0.2 -2,-0.5 3,-0.1 -0.711 14.5-129.8 -94.9 147.9 -91.8 -4.1 -62.6 84 84 A K S S+ 0 0 102 -76,-3.0 2,-0.3 -2,-0.3 -1,-0.1 0.865 88.7 12.4 -61.6 -39.7 -94.7 -6.5 -62.9 85 85 A K + 0 0 107 -77,-0.2 2,-0.3 -18,-0.1 -1,-0.2 -0.994 56.4 171.8-147.4 132.7 -92.9 -8.9 -65.2 86 86 A R - 0 0 36 -2,-0.3 2,-0.5 -29,-0.1 -26,-0.0 -0.976 25.5-139.3-141.1 130.6 -89.4 -9.5 -66.3 87 87 A Q - 0 0 104 -2,-0.3 2,-0.4 -27,-0.0 38,-0.1 -0.768 15.8-149.3 -97.6 128.3 -88.4 -12.5 -68.3 88 88 A F - 0 0 4 -2,-0.5 2,-0.4 -35,-0.2 -31,-0.2 -0.811 10.5-167.5-104.6 134.1 -85.1 -14.2 -67.4 89 89 A H - 0 0 127 -2,-0.4 2,-0.7 -33,-0.1 40,-0.5 -0.962 14.5-142.5-122.3 136.4 -82.9 -16.0 -69.9 90 90 A I E -e 129 0B 9 -2,-0.4 2,-0.5 38,-0.1 40,-0.2 -0.872 21.6-131.7 -97.1 115.3 -79.9 -18.3 -69.3 91 91 A E E -e 130 0B 110 38,-1.9 40,-2.9 -2,-0.7 2,-0.5 -0.536 27.2-159.6 -66.3 113.8 -77.1 -17.9 -71.8 92 92 A E E -e 131 0B 131 -2,-0.5 2,-0.4 38,-0.2 40,-0.2 -0.854 11.6-177.3-102.0 130.7 -76.3 -21.4 -72.8 93 93 A I E -e 132 0B 38 38,-3.1 40,-3.2 -2,-0.5 2,-0.6 -0.994 18.5-144.6-133.8 135.8 -72.9 -22.2 -74.4 94 94 A D E +e 133 0B 84 -2,-0.4 40,-0.1 38,-0.2 3,-0.1 -0.865 26.4 160.9-101.6 121.5 -71.4 -25.4 -75.7 95 95 A L > + 0 0 8 38,-2.6 3,-1.9 -2,-0.6 39,-0.1 0.085 39.2 117.6-120.3 19.5 -67.7 -25.9 -75.3 96 96 A T T 3 + 0 0 60 1,-0.3 -1,-0.1 37,-0.2 38,-0.1 0.766 69.4 61.2 -58.9 -28.4 -67.7 -29.6 -75.8 97 97 A H T 3 S+ 0 0 143 -3,-0.1 -1,-0.3 38,-0.1 2,-0.2 0.562 96.2 81.0 -77.5 -8.5 -65.5 -29.3 -78.9 98 98 A L S < S- 0 0 37 -3,-1.9 -3,-0.1 1,-0.1 2,-0.0 -0.580 80.4-106.2-103.4 161.5 -62.6 -27.8 -76.8 99 99 A T > - 0 0 77 -2,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.210 40.2 -99.8 -69.1 165.5 -59.9 -29.1 -74.6 100 100 A G H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.965 125.9 42.3 -49.4 -59.3 -59.9 -28.8 -70.8 101 101 A S H > S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.909 114.8 51.1 -58.6 -43.3 -57.6 -25.8 -70.9 102 102 A E H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 110.6 48.6 -61.3 -44.0 -59.4 -24.2 -73.8 103 103 A Q H X S+ 0 0 18 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.928 113.5 48.0 -60.4 -44.9 -62.8 -24.7 -72.0 104 104 A T H X S+ 0 0 67 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.860 111.4 50.1 -62.9 -39.0 -61.2 -23.1 -68.9 105 105 A A H X S+ 0 0 55 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.868 110.0 49.7 -69.8 -37.3 -59.8 -20.2 -70.9 106 106 A K H X S+ 0 0 98 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 112.3 47.4 -69.2 -44.0 -63.1 -19.4 -72.6 107 107 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 110.4 51.6 -63.2 -42.9 -64.9 -19.4 -69.3 108 108 A N H X S+ 0 0 84 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.846 109.5 53.0 -61.6 -31.3 -62.2 -17.2 -67.7 109 109 A E H X S+ 0 0 121 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.942 107.9 48.2 -66.2 -50.4 -62.8 -15.0 -70.7 110 110 A Y H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.910 110.2 54.0 -55.3 -44.6 -66.6 -14.8 -70.2 111 111 A K H X S+ 0 0 31 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.895 108.4 47.4 -58.1 -45.2 -66.0 -14.0 -66.5 112 112 A E H X S+ 0 0 111 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.845 111.2 49.1 -71.9 -37.1 -63.7 -11.0 -67.2 113 113 A Q H X S+ 0 0 119 -4,-2.1 4,-3.2 2,-0.2 3,-0.3 0.950 113.8 51.0 -57.6 -46.2 -66.0 -9.5 -69.8 114 114 A D H X S+ 0 0 5 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.872 106.7 51.6 -59.6 -44.1 -68.7 -10.0 -67.1 115 115 A K H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 118.5 37.0 -65.2 -34.4 -66.7 -8.3 -64.3 116 116 A I H < S+ 0 0 97 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.826 109.3 63.5 -87.2 -30.3 -66.1 -5.2 -66.5 117 117 A R H < S+ 0 0 147 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.879 80.0 172.6 -57.5 -42.4 -69.5 -5.2 -68.1 118 118 A G < - 0 0 19 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.1 -0.058 38.3 -68.6 58.5-166.0 -71.3 -4.7 -64.8 119 119 A F - 0 0 25 7,-0.1 2,-0.8 5,-0.1 3,-0.1 -0.899 28.9-134.2-116.7 149.5 -75.0 -4.0 -64.7 120 120 A D >> - 0 0 71 -2,-0.3 3,-2.8 1,-0.1 4,-2.1 -0.876 18.4-162.8-100.1 98.5 -76.9 -1.0 -65.9 121 121 A L T 34 S+ 0 0 12 -2,-0.8 -51,-2.6 1,-0.3 -1,-0.1 0.665 82.8 71.3 -67.8 -12.5 -79.1 -0.5 -62.9 122 122 A T T 34 S- 0 0 65 -53,-0.2 -1,-0.3 -3,-0.1 -119,-0.2 0.719 126.5 -12.2 -59.5 -30.4 -81.3 1.8 -65.1 123 123 A R T <4 S+ 0 0 91 -3,-2.8 -2,-0.2 -54,-0.1 -1,-0.0 0.574 102.0 98.5-149.7 -42.2 -82.6 -1.2 -67.2 124 124 A D S < S- 0 0 29 -4,-2.1 -5,-0.1 1,-0.1 0, 0.0 -0.205 77.8-105.5 -62.7 151.9 -80.9 -4.6 -66.8 125 125 A I - 0 0 27 2,-0.1 2,-1.0 1,-0.1 -1,-0.1 -0.721 38.4-123.6 -66.2 128.2 -82.2 -7.4 -64.6 126 126 A P S S+ 0 0 2 0, 0.0 20,-2.0 0, 0.0 2,-0.3 0.037 89.0 50.0 -74.7 32.4 -79.7 -7.1 -61.7 127 127 A M E + F 0 145B 4 -2,-1.0 2,-0.3 18,-0.2 18,-0.2 -0.934 60.3 176.2-162.3 141.1 -78.7 -10.8 -62.1 128 128 A R E - F 0 144B 30 16,-2.8 16,-3.0 -2,-0.3 2,-0.4 -0.972 11.0-154.7-143.7 165.8 -77.7 -13.0 -65.0 129 129 A A E -eF 90 143B 2 -40,-0.5 -38,-1.9 -2,-0.3 2,-0.4 -0.997 3.2-168.2-143.8 132.3 -76.5 -16.6 -65.5 130 130 A A E -eF 91 142B 0 12,-2.1 12,-3.2 -2,-0.4 2,-0.5 -0.960 8.6-158.3-116.8 139.8 -74.5 -18.4 -68.2 131 131 A I E -eF 92 141B 1 -40,-2.9 -38,-3.1 -2,-0.4 2,-0.5 -0.986 4.4-163.1-123.5 127.3 -74.2 -22.2 -68.4 132 132 A F E -eF 93 140B 5 8,-3.3 8,-2.5 -2,-0.5 2,-0.6 -0.948 10.8-145.5-113.9 117.3 -71.3 -23.8 -70.2 133 133 A K E +eF 94 139B 47 -40,-3.2 -38,-2.6 -2,-0.5 6,-0.2 -0.751 24.1 169.2 -85.8 118.8 -71.5 -27.4 -71.4 134 134 A K E - 0 0 37 4,-3.1 2,-0.2 -2,-0.6 5,-0.2 0.778 67.7 -13.7 -97.2 -35.3 -68.1 -29.0 -71.1 135 135 A A E > S- F 0 138B 44 3,-1.6 3,-1.2 -38,-0.0 -1,-0.3 -0.824 91.5 -71.4-152.9-170.5 -69.1 -32.7 -71.6 136 136 A E T 3 S+ 0 0 141 1,-0.3 -40,-0.0 -2,-0.2 -1,-0.0 0.901 132.7 14.3 -68.8 -40.3 -72.3 -34.7 -71.6 137 137 A E T 3 S+ 0 0 121 -91,-0.1 -92,-2.4 -4,-0.0 2,-0.4 -0.169 110.9 99.4-118.7 40.2 -72.9 -34.5 -67.9 138 138 A S E < +CF 44 135B 14 -3,-1.2 -4,-3.1 -94,-0.2 -3,-1.6 -0.960 44.2 164.5-133.1 116.6 -70.4 -31.7 -67.2 139 139 A F E -CF 43 133B 9 -96,-2.9 -96,-2.9 -2,-0.4 2,-0.4 -0.946 26.7-155.0-131.1 148.2 -71.3 -28.1 -66.8 140 140 A E E -CF 42 132B 16 -8,-2.5 -8,-3.3 -2,-0.3 2,-0.5 -0.990 19.9-162.1-119.7 136.0 -69.9 -24.9 -65.5 141 141 A W E -CF 41 131B 0 -100,-2.0 -100,-2.4 -2,-0.4 2,-0.7 -0.967 5.3-163.5-126.5 119.8 -72.4 -22.3 -64.4 142 142 A V E -CF 40 130B 0 -12,-3.2 -12,-2.1 -2,-0.5 2,-0.4 -0.878 6.7-173.8-113.7 108.8 -71.7 -18.6 -63.8 143 143 A W E -CF 39 129B 0 -104,-2.5 -104,-2.2 -2,-0.7 2,-0.4 -0.781 3.1-174.7 -93.8 144.5 -74.1 -16.5 -61.9 144 144 A S E +CF 38 128B 0 -16,-3.0 -16,-2.8 -2,-0.4 2,-0.3 -0.994 8.3 163.5-138.0 135.0 -73.7 -12.8 -61.6 145 145 A Y E -CF 37 127B 0 -108,-2.1 -108,-2.9 -2,-0.4 2,-0.5 -0.990 36.5-111.4-147.5 159.5 -75.6 -10.3 -59.6 146 146 A H E > -C 36 0B 14 -20,-2.0 3,-1.7 -2,-0.3 4,-0.4 -0.779 20.9-137.1 -90.7 132.1 -75.4 -6.8 -58.3 147 147 A H G > S+ 0 0 35 -112,-3.3 3,-0.7 -2,-0.5 -1,-0.1 0.690 93.3 83.5 -58.7 -19.8 -75.0 -6.3 -54.5 148 148 A I G 3 S+ 0 0 0 -113,-0.3 149,-0.3 1,-0.2 -1,-0.3 0.775 105.2 25.8 -60.4 -26.2 -77.5 -3.5 -54.6 149 149 A I G < S+ 0 0 0 -3,-1.7 2,-0.3 -23,-0.2 -1,-0.2 0.345 126.7 27.7-118.0 4.6 -80.4 -6.1 -54.5 150 150 A L < - 0 0 0 -3,-0.7 2,-0.3 -4,-0.4 147,-0.2 -0.984 53.2-153.4-158.4 154.2 -78.9 -9.1 -52.7 151 151 A D > - 0 0 0 145,-0.6 4,-2.4 -2,-0.3 3,-0.2 -0.877 43.0 -98.0-123.1 161.3 -76.2 -10.3 -50.3 152 152 A G H > S+ 0 0 12 -2,-0.3 4,-1.1 1,-0.2 -1,-0.0 0.805 121.9 54.2 -43.2 -40.9 -74.5 -13.7 -50.1 153 153 A W H >> S+ 0 0 58 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.966 110.4 44.1 -62.8 -57.1 -76.8 -14.9 -47.4 154 154 A C H >> S+ 0 0 0 142,-0.3 4,-1.8 1,-0.2 3,-0.9 0.875 102.0 69.6 -47.3 -44.2 -80.0 -14.2 -49.4 155 155 A F H 3X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.864 97.2 52.0 -49.6 -40.5 -78.4 -15.7 -52.5 156 156 A G H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 3,-0.6 0.971 113.8 53.4 -57.1 -54.0 -89.0 -25.4 -58.1 166 166 A Y H 3X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.3 -1,-0.2 0.876 112.5 43.1 -46.2 -50.1 -86.5 -27.0 -60.5 167 167 A N H 3X S+ 0 0 9 -4,-3.0 4,-0.6 2,-0.2 -1,-0.3 0.737 114.8 50.5 -71.2 -29.1 -87.1 -30.5 -59.0 168 168 A A H X<>S+ 0 0 10 -4,-1.8 5,-2.6 -3,-0.6 3,-0.6 0.953 113.3 44.6 -71.0 -50.9 -90.9 -30.0 -59.0 169 169 A L H ><5S+ 0 0 37 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.867 108.5 53.5 -67.0 -41.9 -91.1 -28.8 -62.6 170 170 A R H 3<5S+ 0 0 76 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 0.719 115.5 42.5 -69.9 -20.6 -88.8 -31.4 -64.2 171 171 A E T <<5S- 0 0 101 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.204 112.3-119.3-102.8 11.1 -90.9 -34.2 -62.6 172 172 A Q T < 5 + 0 0 178 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.945 65.1 147.8 50.8 54.2 -94.2 -32.4 -63.4 173 173 A K < - 0 0 135 -5,-2.6 -1,-0.2 1,-0.1 -2,-0.1 -0.863 51.2-109.7-121.3 148.2 -95.0 -32.3 -59.7 174 174 A P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.282 39.4-174.6 -70.2 167.4 -96.9 -29.7 -57.7 175 175 A Y - 0 0 103 2,-0.0 2,-0.3 -7,-0.0 -10,-0.0 -0.972 16.1-157.7-155.0 167.8 -95.0 -27.4 -55.3 176 176 A S - 0 0 113 -2,-0.3 -12,-0.0 2,-0.0 -11,-0.0 -0.935 1.3-168.0-155.3 129.8 -95.4 -24.8 -52.7 177 177 A L - 0 0 40 -2,-0.3 3,-0.1 -13,-0.0 -2,-0.0 -0.872 35.3-104.1-112.9 148.5 -93.2 -22.1 -51.4 178 178 A P - 0 0 86 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.389 48.9 -82.0 -73.2 154.1 -94.1 -20.1 -48.2 179 179 A P - 0 0 133 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.228 46.6-140.1 -50.3 136.9 -95.4 -16.5 -48.5 180 180 A V - 0 0 40 -118,-0.1 114,-0.1 -3,-0.1 -3,-0.0 -0.927 5.6-134.1-112.7 122.1 -92.5 -14.0 -48.9 181 181 A K - 0 0 80 -2,-0.5 114,-0.4 109,-0.2 2,-0.0 -0.553 35.4-111.7 -70.6 128.9 -92.5 -10.7 -47.1 182 182 A P > - 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.294 10.0-123.6 -71.1 151.9 -91.5 -8.0 -49.6 183 183 A Y T >> S+ 0 0 4 1,-0.3 3,-1.5 112,-0.2 4,-1.5 0.819 106.6 76.2 -61.1 -32.1 -88.3 -6.0 -49.4 184 184 A K H 3> S+ 0 0 53 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.771 84.4 64.9 -45.4 -32.1 -90.5 -2.9 -49.3 185 185 A D H <> S+ 0 0 33 -3,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.881 100.2 49.6 -65.9 -35.9 -91.2 -3.7 -45.7 186 186 A Y H <> S+ 0 0 4 -3,-1.5 4,-3.0 -4,-0.5 -2,-0.2 0.934 109.0 52.7 -68.3 -39.5 -87.6 -3.2 -44.7 187 187 A I H X S+ 0 0 5 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.929 108.0 51.1 -62.1 -41.5 -87.6 0.2 -46.5 188 188 A K H X S+ 0 0 118 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.922 111.4 47.6 -57.2 -46.9 -90.7 1.2 -44.5 189 189 A W H >< S+ 0 0 13 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.949 111.1 51.0 -56.6 -50.2 -88.9 0.2 -41.3 190 190 A L H >< S+ 0 0 1 -4,-3.0 3,-1.5 1,-0.3 -2,-0.2 0.876 106.2 55.6 -58.3 -39.5 -85.8 2.2 -42.5 191 191 A E H 3< S+ 0 0 73 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.775 101.3 58.4 -68.1 -23.8 -88.0 5.2 -43.2 192 192 A K T << S+ 0 0 162 -4,-1.2 -1,-0.3 -3,-1.0 2,-0.2 0.537 92.7 91.8 -77.3 -6.5 -89.3 5.2 -39.6 193 193 A Q S < S- 0 0 42 -3,-1.5 2,-0.8 -4,-0.4 3,-0.1 -0.602 78.4-123.0 -94.6 154.6 -85.7 5.5 -38.2 194 194 A D > - 0 0 91 -2,-0.2 4,-2.2 1,-0.2 3,-0.2 -0.828 17.0-162.9 -94.4 108.2 -83.8 8.7 -37.3 195 195 A K H > S+ 0 0 69 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.893 90.6 51.7 -58.8 -39.4 -80.7 8.7 -39.4 196 196 A Q H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 106.9 52.8 -69.0 -35.3 -79.1 11.3 -37.1 197 197 A A H > S+ 0 0 31 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 110.1 48.9 -61.6 -43.5 -79.9 9.3 -34.0 198 198 A S H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.942 110.6 49.7 -62.4 -48.2 -78.2 6.3 -35.5 199 199 A L H X S+ 0 0 24 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.937 109.6 53.2 -53.3 -47.0 -75.2 8.4 -36.4 200 200 A R H X S+ 0 0 103 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.937 104.5 55.2 -55.2 -48.6 -75.2 9.7 -32.8 201 201 A Y H X S+ 0 0 34 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.892 111.6 42.5 -52.1 -47.4 -75.1 6.1 -31.5 202 202 A W H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.924 112.1 54.2 -66.2 -43.7 -72.0 5.2 -33.5 203 203 A R H X S+ 0 0 103 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.932 112.3 43.8 -58.1 -45.4 -70.4 8.5 -32.6 204 204 A E H >< S+ 0 0 116 -4,-3.1 3,-0.7 1,-0.2 -1,-0.2 0.894 111.8 54.8 -64.3 -40.7 -71.0 7.8 -28.9 205 205 A Y H 3< S+ 0 0 37 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.900 118.2 33.7 -56.5 -44.1 -69.8 4.2 -29.4 206 206 A L H >< S+ 0 0 5 -4,-2.7 3,-2.1 -5,-0.1 -1,-0.2 0.335 86.6 139.2 -97.7 3.6 -66.5 5.3 -30.9 207 207 A E T << S+ 0 0 91 -3,-0.7 -3,-0.1 -4,-0.5 691,-0.1 -0.257 75.8 7.0 -53.6 129.2 -66.1 8.5 -28.8 208 208 A G T 3 S+ 0 0 9 1,-0.2 2,-0.3 135,-0.1 -1,-0.3 0.526 84.6 155.5 77.9 7.7 -62.5 9.0 -27.7 209 209 A F < - 0 0 7 -3,-2.1 -1,-0.2 134,-0.2 658,-0.1 -0.539 33.7-154.6 -72.8 128.4 -61.1 6.1 -29.7 210 210 A E - 0 0 29 -2,-0.3 658,-2.6 1,-0.2 659,-0.3 0.250 39.3-115.5 -92.4 11.0 -57.4 6.8 -30.4 211 211 A G - 0 0 4 656,-0.2 2,-0.3 657,-0.1 -1,-0.2 0.100 26.4-128.3 77.2 170.9 -57.2 4.8 -33.5 212 212 A Q - 0 0 7 135,-1.0 2,-0.6 655,-0.1 657,-0.1 -0.960 16.6-160.1-164.1 127.7 -55.2 1.7 -34.5 213 213 A T > - 0 0 23 -2,-0.3 3,-1.6 655,-0.3 2,-0.2 -0.955 35.9-138.8-108.7 106.4 -52.9 0.2 -37.0 214 214 A T T 3 S+ 0 0 2 -2,-0.6 56,-0.1 1,-0.3 -2,-0.0 -0.472 84.0 0.5 -68.7 131.1 -53.3 -3.5 -36.4 215 215 A F T >> S+ 0 0 2 -2,-0.2 3,-1.5 51,-0.1 4,-1.0 0.757 83.5 166.4 59.4 34.3 -50.0 -5.3 -36.6 216 216 A A T <4 + 0 0 40 -3,-1.6 3,-0.4 1,-0.3 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-993,-0.0 0.078 45.7-154.4 -26.8 123.8 -60.8 7.2 -56.3 1023 1023 A V S S+ 0 0 3 1,-0.2 2,-3.0 2,-0.1 3,-0.4 0.989 86.8 46.6 -76.8 -65.0 -64.4 8.1 -55.6 1024 1024 A K S S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.1 -17,-0.1 -0.345 98.3 86.0 -74.8 58.6 -65.3 6.5 -52.3 1025 1025 A L > + 0 0 49 -2,-3.0 4,-0.7 -3,-0.4 -1,-0.2 -0.042 56.0 80.8-159.6 34.1 -62.0 8.0 -51.0 1026 1026 A L T 4 S+ 0 0 8 -3,-0.4 -30,-0.2 2,-0.2 -2,-0.1 0.362 92.6 58.3-105.1 -14.6 -62.8 11.5 -49.9 1027 1027 A F T 4 S+ 0 0 18 1,-0.1 -2,-0.1 2,-0.1 -3,-0.1 0.877 109.7 46.4 -66.6 -45.7 -64.0 9.8 -46.7 1028 1028 A E T 4 S+ 0 0 95 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.991 124.1 31.4 -45.3 -68.0 -60.5 8.6 -46.9 1029 1029 A A < + 0 0 11 -4,-0.7 -1,-0.2 1,-0.2 6,-0.1 -0.730 64.6 163.9-108.9 88.4 -59.1 12.1 -47.7 1030 1030 A P + 0 0 42 0, 0.0 -34,-1.7 0, 0.0 2,-0.4 0.603 61.6 64.3 -86.3 -10.0 -61.3 14.8 -46.0 1031 1031 A T S > S- 0 0 31 -36,-0.2 4,-1.3 1,-0.1 5,-0.2 -0.904 78.8-133.4-113.6 140.5 -58.7 17.7 -46.3 1032 1032 A I H > S+ 0 0 0 -38,-0.4 4,-2.5 -2,-0.4 3,-0.4 0.892 111.1 55.9 -59.4 -40.8 -57.6 19.1 -49.6 1033 1033 A A H > S+ 0 0 19 -41,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 105.5 51.3 -50.8 -49.3 -54.0 18.9 -48.3 1034 1034 A G H > S+ 0 0 32 -42,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.753 112.4 46.2 -62.0 -27.8 -54.5 15.2 -47.6 1035 1035 A I H X S+ 0 0 21 -4,-1.3 4,-1.7 -3,-0.4 -2,-0.2 0.737 110.5 50.7 -89.1 -28.4 -55.7 14.8 -51.2 1036 1036 A S H X S+ 0 0 13 -4,-2.5 4,-0.7 2,-0.2 5,-0.3 0.811 111.7 51.6 -68.9 -32.1 -52.8 16.8 -52.6 1037 1037 A A H >X>S+ 0 0 39 -4,-2.2 4,-2.4 -5,-0.2 5,-0.7 0.939 108.5 49.4 -64.6 -49.8 -50.8 14.4 -50.5 1038 1038 A Y H 3X5S+ 0 0 95 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.876 118.6 39.1 -56.3 -41.5 -52.5 11.4 -52.1 1039 1039 A L H 3<>S+ 0 0 60 -4,-1.7 5,-0.8 3,-0.2 -1,-0.2 0.382 120.7 41.3-100.0 3.0 -51.9 12.8 -55.6 1040 1040 A K H <<5S+ 0 0 141 -4,-0.7 -3,-0.2 -3,-0.7 -2,-0.2 0.700 126.3 32.1-108.7 -43.1 -48.4 14.2 -55.2 1041 1041 A N H <5S+ 0 0 104 -4,-2.4 -3,-0.2 -5,-0.3 7,-0.2 0.811 147.0 11.2 -76.8 -34.0 -46.8 11.4 -53.1 1042 1042 A G T < S- 0 0 31 -3,-0.1 4,-0.7 -5,-0.1 -1,-0.1 -0.845 91.2 -24.4-174.9-146.8 -42.6 10.8 -59.3 1047 1047 A L T 4 S+ 0 0 141 -2,-0.2 -6,-0.1 1,-0.2 -5,-0.1 0.721 140.0 20.4 -59.3 -23.8 -40.6 8.9 -56.6 1048 1048 A Q T 4 S+ 0 0 102 -7,-0.2 -1,-0.2 -4,-0.0 4,-0.1 0.724 114.6 63.2-113.8 -33.8 -43.1 6.0 -56.9 1049 1049 A D T 4 S+ 0 0 58 2,-0.1 2,-0.6 -5,-0.1 -2,-0.1 0.912 85.1 66.3 -76.9 -52.4 -45.0 6.1 -60.2 1050 1050 A V S < S- 0 0 4 -4,-0.7 39,-0.2 1,-0.1 38,-0.1 -0.653 96.6-108.8 -76.0 118.2 -42.4 5.7 -63.0 1051 1051 A T E -J 1088 0J 22 37,-1.3 37,-2.3 -2,-0.6 2,-0.4 0.026 32.7-164.9 -54.5 146.5 -41.1 2.2 -62.8 1052 1052 A I E +J 1087 0J 54 35,-0.2 2,-0.3 -4,-0.1 35,-0.2 -0.992 7.8 178.4-129.2 140.0 -37.6 1.3 -61.6 1053 1053 A M E +J 1086 0J 9 33,-0.8 33,-2.0 -2,-0.4 22,-0.0 -0.898 59.4 28.0-130.9 165.0 -35.7 -2.0 -61.9 1054 1054 A N > + 0 0 48 -2,-0.3 3,-0.5 31,-0.2 4,-0.2 0.953 68.7 173.0 51.5 69.8 -32.2 -3.2 -61.0 1055 1055 A Q T 3 + 0 0 133 1,-0.2 2,-0.4 -3,-0.1 30,-0.1 0.930 59.1 53.4 -80.7 -51.2 -31.7 -0.8 -58.0 1056 1056 A D T 3 S+ 0 0 160 1,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.052 98.4 70.4 -88.0 36.0 -28.5 -1.6 -56.1 1057 1057 A Q S < S- 0 0 103 -3,-0.5 27,-0.1 -2,-0.4 -2,-0.1 0.449 80.3-134.7-103.9-104.7 -26.2 -1.5 -59.2 1058 1058 A E + 0 0 128 25,-0.6 2,-0.2 -4,-0.2 26,-0.1 -0.041 61.5 103.5-177.3 -73.4 -25.5 1.9 -60.8 1059 1059 A Q - 0 0 74 24,-0.4 26,-2.9 1,-0.1 -1,-0.2 -0.145 57.8-149.4 -58.7 104.6 -25.7 2.5 -64.6 1060 1060 A I E -k 1085 0J 42 -2,-0.2 2,-0.3 24,-0.2 26,-0.2 -0.444 15.6-173.3 -77.6 140.3 -29.0 4.2 -65.3 1061 1061 A I E -k 1086 0J 8 24,-2.6 26,-1.1 -2,-0.2 2,-0.6 -0.977 16.2-143.2-124.8 146.8 -31.0 3.9 -68.5 1062 1062 A F E -kl10871116J 0 53,-2.0 55,-2.6 -2,-0.3 26,-0.1 -0.855 20.7-166.8-116.2 96.9 -34.0 6.1 -69.3 1063 1063 A A - 0 0 11 24,-1.1 26,-0.5 -2,-0.6 55,-0.2 -0.174 9.3-147.5 -75.1 166.7 -36.8 4.2 -71.1 1064 1064 A F - 0 0 1 24,-0.1 55,-1.0 52,-0.1 58,-0.2 -0.984 28.2-103.3-135.2 147.4 -39.9 5.6 -72.8 1065 1065 A P - 0 0 0 0, 0.0 60,-0.1 0, 0.0 6,-0.1 -0.250 27.1-120.4 -77.8 154.9 -43.3 3.8 -73.0 1066 1066 A P > - 0 0 6 0, 0.0 3,-1.9 0, 0.0 54,-0.1 -0.124 50.9 -74.1 -76.4-176.5 -44.8 1.9 -76.0 1067 1067 A V T 3 S+ 0 0 25 1,-0.3 119,-0.4 2,-0.1 118,-0.2 0.771 134.4 57.7 -48.1 -35.0 -48.2 2.8 -77.7 1068 1068 A L T 3 S- 0 0 16 117,-0.1 -1,-0.3 2,-0.1 114,-0.2 0.721 107.1-135.3 -74.8 -24.0 -50.0 1.3 -74.7 1069 1069 A G < + 0 0 0 -3,-1.9 22,-1.9 1,-0.1 2,-0.5 0.465 57.0 116.7 98.6 8.5 -48.1 3.8 -72.5 1070 1070 A Y B > -P 1090 0K 44 20,-0.2 3,-1.6 1,-0.1 20,-0.2 -0.938 50.8-153.3-126.2 124.3 -46.9 2.0 -69.4 1071 1071 A G G > S+ 0 0 0 18,-0.6 3,-1.1 -2,-0.5 4,-0.3 0.629 85.2 85.9 -63.5 -18.4 -43.3 1.3 -68.1 1072 1072 A L G > S+ 0 0 87 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.707 78.9 69.2 -51.3 -23.8 -44.5 -1.8 -66.2 1073 1073 A M G X S+ 0 0 93 -3,-1.6 3,-1.0 1,-0.2 4,-0.2 0.846 90.1 55.8 -70.3 -36.6 -44.0 -3.7 -69.6 1074 1074 A Y G X> S+ 0 0 9 -3,-1.1 4,-2.3 1,-0.2 3,-0.7 0.507 80.2 93.1 -77.9 -3.8 -40.2 -3.5 -69.6 1075 1075 A Q H <> S+ 0 0 83 -3,-0.7 4,-0.9 -4,-0.3 -1,-0.2 0.922 86.5 50.8 -45.0 -47.8 -40.2 -5.2 -66.2 1076 1076 A N H <4 S+ 0 0 85 -3,-1.0 4,-0.4 -4,-0.3 -1,-0.3 0.722 109.9 49.9 -66.6 -23.2 -39.8 -8.4 -68.2 1077 1077 A L H X4 S+ 0 0 7 -3,-0.7 3,-0.5 -4,-0.2 -1,-0.2 0.789 95.8 71.8 -79.8 -32.2 -36.9 -6.8 -70.1 1078 1078 A S H >< S+ 0 0 12 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.840 87.9 62.8 -55.5 -39.4 -35.1 -5.7 -66.9 1079 1079 A S T 3< S+ 0 0 65 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.933 103.0 48.2 -51.1 -51.5 -34.1 -9.2 -66.0 1080 1080 A R T < S+ 0 0 117 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.339 99.9 74.4 -77.9 7.6 -32.0 -9.5 -69.2 1081 1081 A L < + 0 0 9 -3,-2.0 -1,-0.2 -4,-0.2 5,-0.1 -0.832 63.9 167.5-112.1 89.7 -30.5 -6.1 -68.2 1082 1082 A P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.845 69.9 27.2 -78.8 -39.3 -28.2 -7.3 -65.4 1083 1083 A S S S+ 0 0 36 -26,-0.1 -25,-0.6 2,-0.0 -24,-0.4 0.677 103.2 87.9 -97.0 -22.4 -25.9 -4.4 -64.6 1084 1084 A Y - 0 0 33 -6,-0.1 2,-0.4 -27,-0.1 -24,-0.2 -0.629 67.3-138.4 -91.6 139.0 -28.1 -1.5 -65.8 1085 1085 A K E - k 01060J 56 -26,-2.9 -24,-2.6 -2,-0.3 2,-0.3 -0.780 27.0-137.4 -94.5 134.7 -30.6 0.4 -63.6 1086 1086 A L E -Jk10531061J 12 -33,-2.0 -33,-0.8 -2,-0.4 2,-0.4 -0.675 22.4-167.0-107.7 146.0 -33.9 1.2 -65.3 1087 1087 A C E -Jk10521062J 6 -26,-1.1 -24,-1.1 -2,-0.3 2,-1.1 -0.817 15.6-174.8-124.0 88.1 -36.3 4.2 -65.5 1088 1088 A A E -J 1051 0J 1 -37,-2.3 -37,-1.3 -2,-0.4 -17,-0.3 -0.715 13.8-163.9 -90.3 95.4 -39.5 2.9 -67.1 1089 1089 A F - 0 0 1 -2,-1.1 -18,-0.6 -26,-0.5 2,-0.2 -0.096 12.1-129.7 -71.6 168.6 -41.8 5.9 -67.5 1090 1090 A D B -P 1070 0K 15 -20,-0.2 2,-0.5 -19,-0.1 -20,-0.2 -0.532 37.1 -90.4 -99.6 177.7 -45.5 6.1 -68.2 1091 1091 A F - 0 0 3 -22,-1.9 2,-0.6 -2,-0.2 94,-0.1 -0.855 33.0-146.3 -90.6 126.5 -47.1 8.2 -71.0 1092 1092 A I - 0 0 11 -2,-0.5 5,-0.2 1,-0.1 9,-0.0 -0.854 4.4-154.9 -90.1 123.0 -48.0 11.7 -69.9 1093 1093 A E + 0 0 77 -2,-0.6 -1,-0.1 3,-0.1 2,-0.1 0.553 60.4 102.0 -79.7 -7.8 -51.1 12.7 -71.8 1094 1094 A E S > S- 0 0 74 1,-0.1 3,-1.2 2,-0.1 -2,-0.1 -0.400 76.7-127.2 -79.3 153.1 -50.4 16.5 -71.6 1095 1095 A E T > S+ 0 0 171 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.866 112.4 52.9 -65.0 -37.4 -49.1 18.6 -74.5 1096 1096 A D T 3> + 0 0 95 1,-0.2 4,-0.6 2,-0.1 3,-0.4 -0.151 67.4 120.5 -93.0 37.3 -46.3 19.9 -72.2 1097 1097 A R H <> + 0 0 17 -3,-1.2 4,-1.5 1,-0.2 5,-0.2 0.665 61.2 79.4 -61.1 -22.1 -45.3 16.4 -71.2 1098 1098 A L H <> S+ 0 0 60 -3,-0.6 4,-1.5 1,-0.2 3,-0.3 0.942 93.7 42.0 -49.7 -54.7 -42.0 17.6 -72.7 1099 1099 A D H > S+ 0 0 77 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.728 105.1 64.6 -73.1 -25.1 -41.0 19.5 -69.6 1100 1100 A R H X S+ 0 0 113 -4,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.902 107.3 41.6 -65.7 -43.1 -42.1 16.8 -67.1 1101 1101 A Y H X S+ 0 0 14 -4,-1.5 4,-2.6 -3,-0.3 5,-0.5 0.860 110.6 59.2 -68.2 -36.3 -39.5 14.4 -68.4 1102 1102 A A H X S+ 0 0 25 -4,-1.5 4,-0.6 -5,-0.2 -2,-0.2 0.822 112.0 40.0 -57.5 -35.3 -37.1 17.4 -68.5 1103 1103 A D H X S+ 0 0 87 -4,-1.7 4,-1.2 2,-0.1 -2,-0.2 0.829 114.9 54.3 -79.4 -36.7 -37.8 17.7 -64.7 1104 1104 A L H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 3,-0.2 0.943 112.5 37.1 -67.1 -53.0 -37.8 13.9 -64.2 1105 1105 A I H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.813 110.7 62.3 -74.1 -29.2 -34.4 12.9 -65.6 1106 1106 A Q H < S+ 0 0 92 -4,-0.6 -1,-0.2 -5,-0.5 -2,-0.2 0.861 111.8 39.4 -59.5 -36.7 -32.8 16.2 -64.3 1107 1107 A K H < S+ 0 0 155 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.939 116.8 47.9 -73.9 -51.1 -33.7 14.9 -60.8 1108 1108 A L H < S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.668 133.6 10.6 -70.5 -19.1 -32.8 11.2 -61.4 1109 1109 A Q < - 0 0 32 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.1 -0.701 66.3-174.5-160.1 107.0 -29.4 12.1 -63.0 1110 1110 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.875 64.5 5.8 -76.5 -41.8 -28.1 15.7 -62.8 1111 1111 A E S S+ 0 0 154 2,-0.1 27,-0.0 27,-0.1 0, 0.0 -0.846 87.7 54.3-138.0 170.6 -24.9 15.8 -64.9 1112 1112 A G S S- 0 0 39 -2,-0.3 2,-0.4 2,-0.1 27,-0.1 -0.400 91.7 -24.4 100.4-176.2 -22.9 13.6 -67.3 1113 1113 A P - 0 0 74 0, 0.0 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