==== 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 TRANSFERASE 18-OCT-07 2ZBA . COMPND 2 MOLECULE: TRICHOTHECENE 3-O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM SPOROTRICHIOIDES; . AUTHOR G.S.GARVEY,S.P.MCCORMICK,I.RAYMENT . 1678 24 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1103 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 254 15.1 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 4 0.2 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 . 83 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 204 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 415 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 12 0 5 7 2 4 4 0 2 1 0 4 4 3 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 4 0 4 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 . 11 9 8 0 5 0 0 7 8 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 . 0 0 4 4 0 4 0 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 11 A S 0 0 154 0, 0.0 2,-0.3 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 -11.3 84.0 45.9 38.7 2 12 A F + 0 0 38 51,-0.1 2,-0.2 52,-0.0 0, 0.0 -0.983 360.0 169.2-148.3 144.7 86.6 43.6 37.0 3 13 A D + 0 0 87 -2,-0.3 2,-0.7 72,-0.1 72,-0.2 -0.719 22.1 178.4-145.1 84.1 90.4 43.1 36.8 4 14 A I E -A 74 0A 48 70,-2.5 70,-2.8 -2,-0.2 2,-0.1 -0.810 20.5-143.3-108.2 106.8 91.0 39.8 35.0 5 15 A E E -A 73 0A 77 -2,-0.7 68,-0.3 68,-0.3 184,-0.2 -0.394 29.3-113.0 -65.0 138.6 94.6 38.6 34.4 6 16 A L - 0 0 0 66,-2.0 149,-0.1 1,-0.2 5,-0.1 -0.192 44.1 -76.1 -66.0 160.6 95.1 36.9 31.0 7 17 A D > - 0 0 3 147,-0.5 3,-1.6 1,-0.1 4,-0.5 -0.378 45.5-123.3 -47.7 129.5 95.9 33.2 30.6 8 18 A I G > S+ 0 0 22 181,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.908 115.6 54.4 -49.5 -40.3 99.6 33.0 31.5 9 19 A I G > S+ 0 0 3 1,-0.3 3,-0.6 286,-0.2 -1,-0.3 0.760 101.4 58.8 -64.1 -23.7 100.1 31.4 28.1 10 20 A G G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.494 81.5 87.1 -83.9 -3.2 98.4 34.4 26.5 11 21 A Q G < + 0 0 5 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.1 0.185 57.5 124.8 -82.2 16.3 101.0 36.8 27.9 12 22 A Q X> - 0 0 2 -3,-0.6 4,-1.5 1,-0.1 3,-0.6 -0.640 67.9-130.5 -75.4 129.6 103.2 36.2 24.9 13 23 A P H 3> S+ 0 0 45 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.826 106.0 56.9 -56.4 -32.2 104.1 39.6 23.3 14 24 A P H >4 S+ 0 0 49 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.937 106.3 48.8 -59.8 -44.0 103.1 38.2 19.8 15 25 A L H X4 S+ 0 0 11 -3,-0.6 3,-1.1 1,-0.3 139,-0.8 0.804 104.9 60.1 -63.8 -28.5 99.5 37.3 20.9 16 26 A L H 3< S+ 0 0 15 -4,-1.5 -1,-0.3 1,-0.2 43,-0.1 0.609 104.7 49.6 -79.1 -9.3 99.2 40.8 22.5 17 27 A S T << S+ 0 0 62 -3,-1.3 104,-1.0 -4,-0.5 2,-0.4 0.290 99.7 85.5-103.4 5.2 99.7 42.4 19.0 18 28 A I B < -D 120 0B 43 -3,-1.1 135,-3.0 -4,-0.2 2,-0.5 -0.896 53.2-161.8-120.7 137.3 97.2 40.3 17.1 19 29 A Y E -E 152 0C 6 100,-2.2 2,-0.5 -2,-0.4 133,-0.2 -0.974 19.3-140.8-108.3 125.3 93.4 40.4 16.4 20 30 A T E -E 151 0C 8 131,-2.9 131,-2.2 -2,-0.5 2,-0.3 -0.749 24.4-163.1 -78.4 130.2 91.8 37.2 15.3 21 31 A Q E +E 150 0C 0 -2,-0.5 2,-0.3 129,-0.2 129,-0.2 -0.914 15.9 174.0-119.4 141.9 89.1 38.0 12.6 22 32 A I E -E 149 0C 0 127,-1.3 127,-2.5 -2,-0.3 2,-0.5 -0.986 14.0-153.5-146.1 137.1 86.2 35.9 11.2 23 33 A S E -EF 148 388C 0 365,-3.3 365,-2.1 -2,-0.3 2,-0.5 -0.941 2.4-163.3-117.6 131.9 83.5 36.9 8.7 24 34 A L E -EF 147 387C 2 123,-3.4 123,-3.0 -2,-0.5 2,-0.4 -0.961 12.8-157.4-112.9 119.9 80.0 35.5 8.4 25 35 A V E +EF 146 386C 0 361,-3.0 360,-2.9 -2,-0.5 361,-1.3 -0.849 14.1 174.9-102.5 132.3 78.1 36.2 5.2 26 36 A Y E -E 145 0C 0 119,-2.7 119,-1.9 -2,-0.4 2,-0.2 -0.966 30.5-117.8-130.5 144.6 74.3 36.2 4.8 27 37 A P E -E 144 0C 44 0, 0.0 2,-0.5 0, 0.0 117,-0.4 -0.549 23.8-150.9 -74.6 149.5 71.9 37.1 1.9 28 38 A V - 0 0 10 115,-3.3 68,-0.1 -2,-0.2 115,-0.1 -0.979 7.8-165.3-126.8 118.7 69.5 39.9 2.6 29 39 A S S S+ 0 0 108 -2,-0.5 -1,-0.2 1,-0.2 115,-0.0 0.938 76.8 15.3 -68.7 -48.7 66.2 39.8 0.8 30 40 A D > - 0 0 81 1,-0.1 3,-2.2 113,-0.0 -1,-0.2 -0.995 63.5-137.0-135.6 134.9 65.1 43.4 1.5 31 41 A P G > S+ 0 0 62 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.674 99.4 77.8 -59.4 -22.4 67.1 46.4 2.7 32 42 A S G 3 S+ 0 0 81 1,-0.3 4,-0.4 2,-0.1 -3,-0.0 0.717 88.2 62.4 -55.5 -21.9 64.2 47.3 5.0 33 43 A Q G <> S+ 0 0 50 -3,-2.2 4,-2.1 1,-0.2 3,-0.4 0.744 81.8 81.4 -75.4 -26.5 65.6 44.5 7.1 34 44 A Y H <> S+ 0 0 7 -3,-1.5 4,-2.2 1,-0.2 3,-0.4 0.912 90.7 46.4 -51.8 -55.4 69.0 46.2 7.7 35 45 A P H > S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.835 113.3 51.7 -58.4 -33.0 67.9 48.5 10.6 36 46 A T H > S+ 0 0 93 -4,-0.4 4,-2.1 -3,-0.4 -2,-0.2 0.847 107.8 51.7 -67.6 -39.0 66.2 45.5 12.3 37 47 A I H X S+ 0 0 1 -4,-2.1 4,-1.8 -3,-0.4 -1,-0.2 0.906 110.8 48.7 -64.1 -43.3 69.4 43.4 12.0 38 48 A V H X S+ 0 0 19 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.938 112.0 47.7 -60.4 -51.5 71.4 46.3 13.7 39 49 A S H X S+ 0 0 65 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.869 110.3 52.7 -60.1 -40.8 68.9 46.6 16.5 40 50 A T H X S+ 0 0 32 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.874 112.1 44.8 -63.1 -39.7 68.9 42.9 17.1 41 51 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.912 109.7 55.0 -73.0 -41.7 72.7 42.7 17.3 42 52 A E H X S+ 0 0 91 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.866 110.3 47.3 -54.4 -40.2 72.8 45.8 19.6 43 53 A E H X S+ 0 0 90 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.817 110.2 50.4 -75.9 -35.9 70.4 44.1 22.0 44 54 A G H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.878 108.5 54.4 -63.6 -42.3 72.3 40.8 22.0 45 55 A L H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.882 111.2 44.8 -57.1 -42.9 75.5 42.8 22.8 46 56 A K H X S+ 0 0 48 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.917 112.8 50.7 -66.8 -44.9 73.8 44.3 25.8 47 57 A R H X S+ 0 0 73 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.877 112.8 45.7 -61.3 -44.3 72.3 41.0 27.0 48 58 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.923 112.7 50.8 -64.2 -48.0 75.7 39.3 26.7 49 59 A S H < S+ 0 0 10 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.703 106.5 55.9 -61.6 -25.6 77.5 42.2 28.5 50 60 A Q H < S+ 0 0 138 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.877 115.3 36.3 -76.4 -40.0 75.0 42.1 31.4 51 61 A T H < S+ 0 0 62 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.894 135.8 23.8 -75.3 -41.5 75.6 38.5 32.1 52 62 A F >< + 0 0 2 -4,-2.9 3,-1.7 -5,-0.1 4,-0.3 -0.716 67.1 180.0-129.4 79.0 79.4 38.7 31.4 53 63 A P G > S+ 0 0 60 0, 0.0 3,-2.0 0, 0.0 4,-0.1 0.804 74.3 69.5 -48.6 -37.9 80.7 42.4 31.8 54 64 A W G > S+ 0 0 14 1,-0.3 3,-2.4 2,-0.2 79,-0.2 0.737 80.9 73.0 -59.8 -25.4 84.3 41.5 30.9 55 65 A V G < S+ 0 0 1 -3,-1.7 79,-0.4 1,-0.3 -1,-0.3 0.808 98.3 51.3 -58.4 -25.8 83.4 40.8 27.2 56 66 A A G < S+ 0 0 6 -3,-2.0 22,-1.0 -4,-0.3 -1,-0.3 0.391 97.7 101.7 -90.1 -0.2 83.0 44.6 26.9 57 67 A G < - 0 0 1 -3,-2.4 76,-2.0 20,-0.2 77,-0.5 0.152 63.9-125.2 -76.8-170.1 86.5 45.2 28.5 58 68 A Q E -BC 75 132A 41 17,-2.7 17,-2.5 74,-0.3 2,-0.5 -0.959 20.2-111.3-138.9 153.3 89.9 46.1 27.1 59 69 A V E -B 74 0A 7 72,-3.1 2,-0.4 -2,-0.3 72,-0.2 -0.755 34.2-177.3 -90.3 127.6 93.4 44.6 27.5 60 70 A K E -B 73 0A 81 13,-2.5 13,-2.1 -2,-0.5 2,-0.6 -0.985 16.2-147.4-125.9 135.8 95.9 46.6 29.5 61 71 A T E -B 72 0A 44 -2,-0.4 2,-0.3 66,-0.2 3,-0.3 -0.932 19.7-165.4-109.4 118.7 99.5 45.7 30.0 62 72 A E E +B 71 0A 80 9,-3.3 9,-2.5 -2,-0.6 -2,-0.0 -0.757 56.5 21.9-103.9 147.1 101.0 46.8 33.4 63 73 A G + 0 0 57 -2,-0.3 7,-0.5 1,-0.2 2,-0.2 0.809 68.4 168.7 76.8 34.3 104.6 47.0 34.7 64 74 A I + 0 0 115 -3,-0.3 2,-0.3 5,-0.2 -1,-0.2 -0.564 13.1 131.9 -76.9 141.0 106.6 47.4 31.5 65 75 A S B > -I 68 0D 73 3,-2.4 3,-1.8 -2,-0.2 2,-0.3 -0.941 67.7 -55.2-165.7 179.7 110.3 48.3 31.8 66 76 A E T 3 S+ 0 0 194 -2,-0.3 3,-0.0 1,-0.2 280,-0.0 -0.549 131.4 17.1 -64.7 127.0 113.6 47.3 30.5 67 77 A G T 3 S+ 0 0 47 -2,-0.3 2,-0.4 1,-0.0 -1,-0.2 0.360 116.4 79.0 90.8 -7.0 113.8 43.6 31.5 68 78 A N B < -I 65 0D 54 -3,-1.8 -3,-2.4 278,-0.1 278,-0.3 -0.920 52.7-170.2-142.1 108.6 110.0 43.2 32.1 69 79 A T - 0 0 36 276,-1.7 -5,-0.2 -2,-0.4 277,-0.1 0.393 50.2-126.7 -77.9 0.1 107.6 42.8 29.2 70 80 A G - 0 0 3 -7,-0.5 2,-0.4 275,-0.4 -1,-0.2 -0.040 12.4 -85.0 87.8 176.7 104.7 43.3 31.7 71 81 A T E - B 0 62A 59 -9,-2.5 -9,-3.3 -3,-0.1 2,-0.3 -0.995 37.2-146.6-131.9 133.8 101.6 41.5 32.8 72 82 A S E + B 0 61A 1 -2,-0.4 -66,-2.0 -11,-0.3 2,-0.3 -0.743 18.8 171.1-110.8 151.6 98.3 42.0 31.0 73 83 A K E -AB 5 60A 34 -13,-2.1 -13,-2.5 -2,-0.3 2,-0.6 -0.952 35.4-107.9-151.7 159.9 94.7 42.0 32.3 74 84 A I E +AB 4 59A 0 -70,-2.8 -70,-2.5 -2,-0.3 -15,-0.2 -0.891 43.7 170.2 -98.7 122.3 91.1 42.7 31.2 75 85 A I E - B 0 58A 32 -17,-2.5 -17,-2.7 -2,-0.6 -72,-0.1 -0.847 40.0 -70.4-127.1 163.0 89.7 45.9 32.6 76 86 A P + 0 0 61 0, 0.0 -19,-0.1 0, 0.0 -1,-0.1 -0.120 54.2 150.2 -53.0 146.7 86.5 48.0 32.0 77 87 A Y - 0 0 76 1,-0.7 -20,-0.2 -21,-0.2 2,-0.2 0.084 61.0 -10.1-138.4-103.0 86.2 50.0 28.8 78 88 A E - 0 0 90 -22,-1.0 -1,-0.7 2,-0.2 -22,-0.0 -0.500 69.9-106.0 -98.2 173.2 82.7 50.7 27.3 79 89 A E S S+ 0 0 89 -2,-0.2 -23,-0.2 -3,-0.1 -22,-0.1 0.769 102.3 21.9 -70.4 -29.0 79.4 49.1 28.3 80 90 A T S S- 0 0 44 -24,-0.2 -2,-0.2 -25,-0.1 2,-0.1 -0.930 99.3 -83.2-132.4 157.8 79.3 46.8 25.3 81 91 A P - 0 0 3 0, 0.0 54,-0.2 0, 0.0 -25,-0.1 -0.445 64.7 -96.5 -53.8 131.8 81.8 45.4 22.8 82 92 A R E -g 135 0C 59 52,-0.6 54,-2.7 -2,-0.1 2,-0.5 -0.319 42.0-160.8 -62.7 127.1 82.3 48.2 20.2 83 93 A L E -g 136 0C 40 52,-0.2 2,-0.4 -2,-0.1 54,-0.2 -0.962 5.3-162.7-113.6 125.3 80.1 47.7 17.1 84 94 A V E -g 137 0C 54 52,-2.9 54,-3.0 -2,-0.5 2,-0.6 -0.886 5.3-157.5 -99.2 132.2 80.9 49.4 13.8 85 95 A V E -g 138 0C 66 -2,-0.4 2,-0.5 52,-0.2 54,-0.2 -0.957 16.1-178.5-110.5 114.8 78.0 49.6 11.2 86 96 A K E -g 139 0C 75 52,-2.8 54,-2.9 -2,-0.6 2,-0.8 -0.966 18.7-153.9-123.5 123.2 79.4 50.1 7.7 87 97 A D E > +g 140 0C 79 -2,-0.5 3,-0.5 52,-0.2 54,-0.1 -0.822 18.1 171.3 -98.4 101.5 77.3 50.4 4.5 88 98 A L T 3 + 0 0 19 52,-2.2 5,-0.5 -2,-0.8 53,-0.2 0.495 53.4 98.2 -88.6 -4.2 79.3 49.2 1.5 89 99 A R T 3 0 0 96 51,-0.4 -1,-0.2 1,-0.3 1017,-0.1 0.755 360.0 360.0 -60.4 -29.7 76.4 49.3 -0.9 90 100 A D < 0 0 134 -3,-0.5 -1,-0.3 2,-0.0 -2,-0.1 0.342 360.0 360.0 -82.7 360.0 77.6 52.7 -2.2 91 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 103 A S 0 0 150 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 124.2 83.8 49.1 -5.3 93 104 A A - 0 0 30 -5,-0.5 2,-0.1 1,-0.1 15,-0.0 -0.110 360.0 -87.5 -68.5 162.1 82.8 46.8 -2.4 94 105 A P - 0 0 21 0, 0.0 48,-0.4 0, 0.0 2,-0.3 -0.461 41.2-155.1 -65.0 146.2 82.0 43.0 -2.7 95 106 A T > - 0 0 45 46,-0.2 4,-2.7 -2,-0.1 5,-0.2 -0.847 27.3-113.0-113.4 158.7 78.4 42.2 -3.6 96 107 A I H > S+ 0 0 7 46,-2.1 4,-2.6 -2,-0.3 5,-0.2 0.897 120.8 46.1 -51.9 -43.7 76.6 38.9 -2.8 97 108 A E H > S+ 0 0 107 45,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.879 112.3 50.5 -71.8 -36.8 76.4 38.0 -6.5 98 109 A G H > S+ 0 0 28 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.897 112.6 47.8 -62.7 -41.8 80.0 39.0 -7.0 99 110 A L H X>S+ 0 0 0 -4,-2.7 5,-3.4 2,-0.2 4,-1.1 0.919 112.5 48.1 -64.3 -46.0 80.9 36.7 -4.0 100 111 A R H <5S+ 0 0 19 -4,-2.6 3,-0.4 3,-0.2 558,-0.3 0.921 110.1 51.0 -61.4 -44.0 78.8 33.8 -5.3 101 112 A K H <5S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 116.9 39.3 -70.6 -26.6 80.2 33.9 -8.8 102 113 A A H <5S- 0 0 32 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.515 117.1-109.0 -99.3 -7.6 83.8 33.9 -7.6 103 114 A G T <5 - 0 0 16 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.781 61.8 -68.1 87.1 29.9 83.2 31.4 -4.8 104 115 A F S - 0 0 8 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.199 32.1-116.0 -74.5 161.3 87.4 34.2 -2.5 106 117 A L G > S+ 0 0 1 332,-2.5 3,-2.4 1,-0.2 285,-0.4 0.866 110.9 71.1 -62.2 -37.4 89.9 35.7 -0.1 107 118 A E G 3 S+ 0 0 103 1,-0.3 3,-0.3 111,-0.1 -1,-0.2 0.817 97.7 50.3 -40.4 -41.4 90.5 38.6 -2.6 108 119 A X G < S+ 0 0 40 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.291 95.9 71.0 -92.6 6.5 87.0 39.9 -1.6 109 120 A F < + 0 0 0 -3,-2.4 282,-3.2 280,-0.1 2,-0.2 -0.405 63.6 172.4-120.2 54.2 87.5 39.8 2.1 110 121 A D B >> -j 391 0E 43 -3,-0.3 4,-2.6 280,-0.2 3,-0.7 -0.483 30.8-143.4 -58.0 122.7 89.9 42.7 2.5 111 122 A E H 3> S+ 0 0 2 280,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.789 101.9 59.8 -63.0 -25.5 90.3 43.2 6.3 112 123 A N H 34 S+ 0 0 96 279,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.848 113.0 37.6 -70.2 -32.4 90.5 46.9 5.6 113 124 A V H <4 S+ 0 0 42 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.2 0.886 130.5 25.0 -84.5 -44.2 87.0 46.8 4.0 114 125 A V H < S+ 0 0 0 -4,-2.6 -3,-0.2 25,-0.0 34,-0.2 0.644 106.0 72.4-104.3 -13.7 85.2 44.3 6.2 115 126 A A < - 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0 0 3 9,-2.9 9,-0.3 -2,-0.5 -14,-0.1 -0.277 42.2 -72.4 -73.7 163.7 88.2 27.4 7.9 403 424 A P - 0 0 4 0, 0.0 -35,-0.3 0, 0.0 2,-0.2 -0.410 65.8 -98.0 -56.2 137.7 85.3 26.0 10.0 404 425 A K - 0 0 112 -36,-2.4 6,-0.2 -37,-0.2 -31,-0.2 -0.421 38.0-117.7 -73.0 125.6 84.1 22.9 8.3 405 426 A K > - 0 0 66 4,-2.1 3,-2.8 -2,-0.2 -1,-0.1 -0.270 26.8-110.3 -61.6 144.6 81.0 23.5 6.1 406 427 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.664 120.7 56.9 -50.8 -18.1 77.9 21.6 7.2 407 428 A D T 3 S- 0 0 73 2,-0.1 -2,-0.1 133,-0.1 -3,-0.0 0.533 124.0-103.3 -89.7 -10.6 78.3 19.4 4.1 408 429 A G S < S+ 0 0 13 -3,-2.8 2,-0.1 1,-0.3 -180,-0.1 0.361 70.4 147.1 105.5 -0.7 81.9 18.4 5.0 409 430 A E - 0 0 48 -5,-0.1 -4,-2.1 -185,-0.1 2,-0.3 -0.449 32.7-153.5 -68.5 139.8 83.8 20.7 2.7 410 431 A F E -L 223 0G 8 -187,-2.1 -187,-2.7 -6,-0.2 2,-0.4 -0.857 7.6-166.1-108.4 146.6 87.1 22.0 3.9 411 432 A T E -L 222 0G 6 -2,-0.3 -9,-2.9 -9,-0.3 2,-0.5 -0.998 5.3-156.9-132.0 135.3 88.8 25.2 2.8 412 433 A A E -LQ 221 401G 0 -191,-2.6 -191,-2.0 -2,-0.4 2,-0.6 -0.938 8.1-148.9-109.4 129.6 92.4 26.1 3.5 413 434 A S E -LQ 220 400G 2 -13,-2.7 -13,-2.5 -2,-0.5 2,-0.4 -0.895 29.0-172.8 -95.6 120.5 93.6 29.7 3.6 414 435 A I E -LQ 219 399G 0 -195,-2.8 -195,-2.1 -2,-0.6 2,-0.5 -0.956 20.0-164.8-125.9 132.3 97.2 29.4 2.4 415 436 A S E +L 218 0G 0 -17,-1.6 -18,-2.1 -2,-0.4 2,-0.3 -0.983 24.9 152.0-116.7 127.5 100.0 32.0 2.2 416 437 A L E -L 217 0G 0 -199,-1.3 -199,-2.0 -2,-0.5 -20,-0.1 -0.984 49.2 -92.7-148.2 150.8 103.1 31.2 0.1 417 438 A R E >> -L 216 0G 47 -2,-0.3 4,-2.5 -201,-0.3 3,-1.0 -0.356 52.3 -99.9 -61.5 149.4 105.7 33.1 -1.8 418 439 A D H 3> S+ 0 0 48 -203,-2.3 4,-2.7 1,-0.3 5,-0.2 0.779 119.5 48.7 -46.0 -47.3 104.8 33.6 -5.5 419 440 A E H 3> S+ 0 0 76 -204,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.851 114.4 46.3 -68.5 -33.8 106.9 30.8 -7.0 420 441 A D H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.926 113.1 50.4 -68.1 -48.1 105.6 28.2 -4.5 421 442 A X H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 113.3 44.8 -53.9 -47.1 102.0 29.4 -5.0 422 443 A E H X S+ 0 0 125 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.845 113.8 48.8 -73.3 -33.7 102.3 29.1 -8.8 423 444 A R H < S+ 0 0 91 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.846 112.8 49.0 -70.5 -33.4 104.0 25.7 -8.7 424 445 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 2,-0.2 7,-0.2 0.950 109.9 50.0 -69.1 -50.8 101.4 24.4 -6.2 425 446 A K H 3< S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 115.3 44.5 -55.8 -35.9 98.5 25.7 -8.4 426 447 A A T 3< S+ 0 0 84 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.3 0.466 86.9 117.7 -86.9 -3.5 100.0 23.9 -11.4 427 448 A D <> - 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0 0 0 66,-2.4 145,-0.1 1,-0.2 -1,-0.1 -0.286 43.2 -78.7 -64.9 156.3 43.2 21.0 -23.6 444 17 B D - 0 0 4 143,-0.3 4,-0.2 1,-0.1 3,-0.2 -0.233 45.4-115.8 -40.8 142.9 46.0 22.8 -25.5 445 18 B I S > S+ 0 0 17 175,-0.4 3,-1.6 1,-0.2 -1,-0.1 0.922 118.8 50.0 -54.6 -46.7 46.4 21.2 -28.9 446 19 B I G > S+ 0 0 3 1,-0.3 3,-1.1 281,-0.2 -1,-0.2 0.805 101.1 64.0 -62.1 -31.7 49.9 20.1 -28.0 447 20 B G G 3 S+ 0 0 0 280,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.469 82.9 81.5 -69.5 -2.3 48.6 18.7 -24.7 448 21 B Q G < + 0 0 13 -3,-1.6 -1,-0.2 -4,-0.2 331,-0.1 0.283 56.2 126.5 -89.1 6.4 46.5 16.1 -26.8 449 22 B Q X - 0 0 11 -3,-1.1 3,-1.5 1,-0.1 4,-0.5 -0.567 66.3-130.7 -60.8 120.9 49.6 13.8 -27.2 450 23 B P G > S+ 0 0 45 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.816 100.5 57.1 -47.2 -44.5 48.2 10.4 -26.0 451 24 B P G > S+ 0 0 62 0, 0.0 3,-1.6 0, 0.0 136,-0.1 0.748 92.3 70.4 -62.1 -26.2 51.1 9.6 -23.6 452 25 B L G X S+ 0 0 16 -3,-1.5 3,-1.4 1,-0.3 135,-0.8 0.734 86.4 66.0 -64.9 -25.9 50.7 12.9 -21.5 453 26 B L G < S+ 0 0 27 -3,-1.2 -1,-0.3 -4,-0.5 43,-0.1 0.653 102.0 49.2 -68.1 -17.0 47.4 11.6 -20.1 454 27 B S G < S+ 0 0 45 -3,-1.6 105,-1.5 -4,-0.2 2,-0.4 0.099 99.8 87.1-106.4 17.1 49.5 8.9 -18.3 455 28 B I B < -U 558 0I 48 -3,-1.4 131,-2.4 103,-0.2 2,-0.4 -0.979 51.3-172.1-123.1 131.3 52.0 11.4 -16.9 456 29 B Y E -V 585 0J 4 101,-2.6 2,-0.4 -2,-0.4 129,-0.2 -0.992 17.1-143.7-113.0 129.9 52.0 13.4 -13.7 457 30 B T E -V 584 0J 9 127,-2.5 127,-2.5 -2,-0.4 2,-0.3 -0.778 22.7-167.3 -86.9 133.8 54.6 16.1 -13.1 458 31 B Q E +V 583 0J 0 -2,-0.4 2,-0.3 125,-0.2 125,-0.2 -0.943 12.8 179.5-124.3 144.1 55.6 16.3 -9.4 459 32 B I E -V 582 0J 0 123,-1.6 123,-2.3 -2,-0.3 2,-0.4 -0.986 13.0-151.3-141.8 140.6 57.6 18.9 -7.5 460 33 B S E -VW 581 820J 0 360,-3.6 360,-2.5 -2,-0.3 2,-0.5 -0.959 3.6-164.0-115.7 131.7 58.5 19.0 -3.7 461 34 B L E -VW 580 819J 0 119,-2.9 119,-2.8 -2,-0.4 2,-0.4 -0.951 12.2-155.4-111.7 124.1 59.1 22.1 -1.5 462 35 B V E +VW 579 818J 0 356,-3.0 355,-3.4 -2,-0.5 356,-1.2 -0.849 15.0 176.1-109.8 132.6 60.8 21.5 1.8 463 36 B Y E -V 578 0J 0 115,-2.3 115,-1.9 -2,-0.4 2,-0.2 -0.964 29.7-117.9-131.4 145.2 60.4 23.8 4.8 464 37 B P E -V 577 0J 38 0, 0.0 2,-0.5 0, 0.0 113,-0.3 -0.619 22.5-154.9 -81.6 148.4 61.6 23.7 8.3 465 38 B V - 0 0 7 111,-2.2 69,-0.1 -2,-0.2 348,-0.1 -0.975 4.2-158.5-125.0 115.7 59.0 23.6 11.1 466 39 B S S S+ 0 0 120 -2,-0.5 -1,-0.1 1,-0.2 111,-0.0 0.841 76.9 4.9 -63.2 -36.1 60.0 25.0 14.5 467 40 B D > - 0 0 85 109,-0.0 3,-1.9 1,-0.0 -1,-0.2 -0.986 69.8-120.8-156.0 137.5 57.5 23.1 16.6 468 41 B P G > S+ 0 0 70 0, 0.0 3,-0.7 0, 0.0 -2,-0.0 0.493 101.2 80.9 -64.3 -6.0 54.8 20.5 15.7 469 42 B S G 3 S+ 0 0 84 1,-0.2 4,-0.5 2,-0.1 -3,-0.0 0.667 83.9 63.2 -71.2 -16.8 52.0 22.8 17.0 470 43 B Q G <> S+ 0 0 53 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.700 80.8 82.7 -80.1 -22.1 52.2 24.6 13.6 471 44 B Y H <> S+ 0 0 7 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.857 87.9 50.3 -55.6 -45.4 51.1 21.6 11.6 472 45 B P H > S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.923 113.6 45.9 -60.8 -42.6 47.3 22.0 12.1 473 46 B T H > S+ 0 0 77 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.806 108.6 55.8 -69.3 -32.0 47.4 25.6 11.1 474 47 B I H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.952 109.5 48.5 -62.9 -46.0 49.6 24.8 8.1 475 48 B V H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.962 113.7 43.9 -58.3 -56.8 46.9 22.3 7.0 476 49 B S H X S+ 0 0 64 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.847 110.6 57.6 -60.7 -34.9 44.0 24.8 7.4 477 50 B T H X S+ 0 0 30 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.949 112.2 39.7 -55.6 -48.5 46.1 27.5 5.7 478 51 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.933 113.2 54.0 -70.3 -45.8 46.5 25.4 2.6 479 52 B E H X S+ 0 0 102 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.922 111.6 46.7 -51.8 -48.4 42.9 24.1 2.7 480 53 B E H X S+ 0 0 81 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.893 112.3 49.4 -60.7 -44.6 41.6 27.7 2.8 481 54 B G H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.840 109.0 52.4 -64.5 -36.1 44.0 28.7 -0.0 482 55 B L H X S+ 0 0 7 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.782 112.3 46.7 -67.9 -31.0 42.8 25.8 -2.2 483 56 B K H X S+ 0 0 53 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.929 111.4 50.5 -71.9 -51.0 39.3 27.0 -1.5 484 57 B R H X S+ 0 0 45 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.913 115.2 43.5 -50.4 -48.7 40.2 30.6 -2.4 485 58 B L H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.857 110.7 54.1 -68.4 -38.8 41.8 29.5 -5.6 486 59 B S H < S+ 0 0 8 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.768 106.3 52.5 -67.2 -31.1 39.1 27.1 -6.7 487 60 B Q H < S+ 0 0 135 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.904 115.1 39.6 -73.3 -45.0 36.3 29.8 -6.3 488 61 B T H < S+ 0 0 77 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.1 0.885 134.9 22.7 -68.1 -40.8 38.1 32.3 -8.6 489 62 B F >< + 0 0 6 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.3 -0.743 69.0 178.2-131.5 81.3 39.3 29.5 -11.0 490 63 B P G > S+ 0 0 88 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.728 71.8 73.0 -58.9 -26.7 37.0 26.5 -10.7 491 64 B W G > S+ 0 0 34 1,-0.3 3,-1.9 2,-0.2 75,-0.2 0.723 81.0 74.4 -63.1 -19.6 38.8 24.4 -13.5 492 65 B V G < S+ 0 0 14 -3,-1.6 75,-0.3 1,-0.3 -1,-0.3 0.732 96.0 49.4 -64.8 -22.1 41.7 23.8 -11.1 493 66 B A G < S+ 0 0 7 -3,-1.7 22,-1.6 -4,-0.2 -1,-0.3 0.237 98.5 101.0-100.9 9.5 39.6 21.3 -9.2 494 67 B G < - 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