==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE, BIOSYNTHETIC PROTEIN 22-MAR-11 3R74 . COMPND 2 MOLECULE: ANTHRANILATE/PARA-AMINOBENZOATE SYNTHASES COMPONE . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA SP.; . AUTHOR Q.A.LI,D.V.MAVRODI,L.S.THOMASHOW,M.ROESSLE,W.BLANKENFELDT . 1233 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 862 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 282 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 95 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.5 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 0 1 5 0 4 1 7 1 1 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 0 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 PARALLEL BRIDGES PER LADDER . 4 5 9 13 3 6 8 0 0 2 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 0 0 0 2 0 4 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 6 A N 0 0 165 0, 0.0 4,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-103.3 112.7 26.1 131.0 2 7 A R > + 0 0 130 93,-0.1 4,-2.7 2,-0.1 5,-0.4 -0.033 360.0 125.2 -98.5 7.6 115.3 25.3 128.2 3 8 A N H > + 0 0 87 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.790 68.2 46.8 -23.6 -47.6 114.8 22.0 130.2 4 9 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.962 111.8 46.2 -71.3 -50.9 113.9 20.3 126.9 5 10 A F H > S+ 0 0 7 -3,-0.3 4,-3.4 1,-0.3 -2,-0.2 0.903 112.4 52.1 -61.6 -42.9 116.8 21.6 124.7 6 11 A D H X S+ 0 0 76 -4,-2.7 4,-1.3 2,-0.2 -1,-0.3 0.864 108.4 53.1 -55.0 -39.8 119.2 20.8 127.5 7 12 A R H <>S+ 0 0 73 -4,-1.3 5,-2.6 -5,-0.4 6,-0.4 0.908 111.3 44.7 -66.7 -35.5 117.7 17.3 127.5 8 13 A V H ><5S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 5,-0.3 0.946 110.0 55.7 -70.7 -47.8 118.3 17.1 123.8 9 14 A L H 3<5S+ 0 0 28 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.705 109.2 46.0 -58.7 -26.2 121.8 18.5 124.1 10 15 A H T 3<5S- 0 0 140 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.173 117.5-102.3-109.1 16.1 123.0 15.9 126.6 11 16 A G T < 5S+ 0 0 58 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.706 87.5 119.6 80.3 21.0 121.6 12.8 125.0 12 17 A Q < + 0 0 138 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.288 48.6 79.9-109.2 13.8 118.6 12.5 127.3 13 18 A A - 0 0 9 -6,-0.4 3,-0.2 -5,-0.3 -1,-0.1 -0.961 54.2-169.2-118.0 109.9 115.7 12.7 124.8 14 19 A P S S+ 0 0 110 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.731 83.4 28.0 -69.9 -20.1 115.1 9.4 123.0 15 20 A C S S+ 0 0 11 -3,-0.1 22,-0.5 171,-0.1 2,-0.3 -0.952 82.2 132.7-142.7 117.2 112.7 11.1 120.7 16 21 A F E -AB 36 184A 2 168,-1.6 168,-3.3 -2,-0.4 2,-0.3 -0.971 31.9-148.2-153.0 171.1 112.9 14.8 119.7 17 22 A A E -AB 35 183A 1 18,-1.8 18,-2.3 -2,-0.3 2,-0.5 -0.988 1.6-163.7-141.6 140.3 112.8 17.4 117.0 18 23 A L E +AB 34 182A 0 164,-2.7 164,-2.3 -2,-0.3 2,-0.4 -0.995 18.8 177.8-112.5 128.0 114.4 20.7 116.4 19 24 A I E -AB 33 181A 0 14,-2.5 14,-3.2 -2,-0.5 2,-0.6 -0.992 16.4-164.0-134.7 126.8 112.8 22.6 113.7 20 25 A A E -AB 32 180A 14 160,-2.7 160,-2.0 -2,-0.4 2,-0.3 -0.960 23.0-164.7-112.6 110.1 113.8 26.1 112.7 21 26 A R E - B 0 179A 57 -2,-0.6 10,-0.3 10,-0.5 158,-0.2 -0.680 30.9-143.8-109.6 149.9 111.0 27.6 110.7 22 27 A S S > S+ 0 0 61 156,-1.6 2,-1.0 -2,-0.3 3,-0.8 0.960 83.1 91.2 -70.9 -48.6 110.9 30.5 108.4 23 28 A T T 3 + 0 0 62 155,-0.2 -2,-0.1 1,-0.2 -1,-0.1 -0.223 55.3 89.4 -58.3 87.2 107.3 31.2 109.6 24 29 A G T 3 S- 0 0 70 -2,-1.0 -1,-0.2 6,-0.0 -2,-0.1 0.324 100.7 -96.3-141.0 -40.1 107.8 33.5 112.6 25 30 A S < - 0 0 89 -3,-0.8 -2,-0.1 0, 0.0 -3,-0.0 0.685 51.2 -83.0 124.4 39.4 107.7 37.0 110.8 26 31 A A S S+ 0 0 111 -4,-0.4 4,-0.1 1,-0.1 -3,-0.1 0.752 72.6 162.8 48.1 33.3 111.3 38.2 110.0 27 32 A G - 0 0 74 2,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.601 54.5-105.9 -62.8 -22.8 111.4 39.5 113.7 28 33 A E S S+ 0 0 103 979,-0.0 -1,-0.1 978,-0.0 -2,-0.0 0.821 102.5 65.7 88.5 41.7 115.2 40.0 114.2 29 34 A R S S- 0 0 75 2,-0.0 -2,-0.1 71,-0.0 2,-0.1 -0.176 77.6-142.6 175.7 88.2 115.8 37.0 116.5 30 35 A A - 0 0 74 68,-0.1 69,-3.1 -4,-0.1 70,-0.5 -0.339 17.8-152.4 -60.6 136.2 115.4 33.5 114.8 31 36 A M E - C 0 98A 82 -10,-0.3 -10,-0.5 67,-0.3 2,-0.5 -0.859 7.4-145.5-120.3 142.0 113.8 30.9 117.0 32 37 A I E -AC 20 97A 0 65,-3.1 65,-2.0 -2,-0.4 2,-0.4 -0.921 16.3-138.4-107.5 132.8 114.2 27.1 117.0 33 38 A D E -AC 19 96A 16 -14,-3.2 -14,-2.5 -2,-0.5 2,-0.4 -0.774 17.6-160.6 -86.7 132.4 111.1 25.0 118.0 34 39 A V E +AC 18 95A 0 61,-3.4 61,-2.1 -2,-0.4 2,-0.3 -0.952 12.2 178.0-120.7 134.1 112.0 22.0 120.2 35 40 A F E +AC 17 94A 1 -18,-2.3 -18,-1.8 -2,-0.4 2,-0.3 -0.925 11.1 176.0-133.5 150.6 109.6 19.0 120.6 36 41 A A E +AC 16 93A 4 57,-1.5 57,-2.3 -2,-0.3 56,-0.5 -0.975 24.4 115.1-151.8 142.8 109.6 15.7 122.4 37 42 A G - 0 0 19 -22,-0.5 2,-0.3 -2,-0.3 54,-0.1 -0.970 60.1 -41.0-176.9-161.6 106.9 13.0 122.7 38 43 A A - 0 0 56 -2,-0.3 52,-2.1 1,-0.0 2,-0.4 -0.612 47.2-137.6 -81.8 138.3 105.8 9.4 121.9 39 44 A V E +J 89 0B 43 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.820 28.8 170.8 -91.7 135.2 106.5 7.9 118.5 40 45 A S E -J 88 0B 46 48,-2.8 48,-3.2 -2,-0.4 0, 0.0 -0.973 29.3-140.9-142.5 158.1 103.7 5.9 116.9 41 46 A Y - 0 0 98 -2,-0.3 46,-0.2 46,-0.2 -2,-0.0 -0.757 21.0-161.4-122.8 79.5 103.2 4.4 113.4 42 47 A P - 0 0 20 0, 0.0 44,-0.5 0, 0.0 6,-0.1 -0.243 21.8-128.9 -57.7 153.1 99.6 4.8 112.4 43 48 A S S S- 0 0 85 4,-0.1 2,-0.3 1,-0.1 3,-0.1 0.526 82.0 -1.8 -87.7 -5.1 98.4 2.5 109.6 44 49 A S S > S- 0 0 19 1,-0.1 3,-0.6 42,-0.0 -1,-0.1 -0.968 75.6 -97.6-168.6 167.2 97.0 5.4 107.4 45 50 A L G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.863 120.4 60.7 -57.8 -36.4 96.4 9.1 107.3 46 51 A A G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -3,-0.1 242,-0.1 0.900 103.9 52.4 -57.3 -38.8 92.8 8.4 108.5 47 52 A E G < S+ 0 0 116 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.172 71.6 136.4 -92.1 20.6 94.2 7.0 111.6 48 53 A L < - 0 0 8 -3,-1.8 2,-1.7 1,-0.1 240,-0.1 -0.512 67.6-110.1 -63.8 129.0 96.6 9.8 112.6 49 54 A P + 0 0 65 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.408 57.1 158.3 -66.1 81.7 96.1 10.2 116.5 50 55 A L - 0 0 38 -2,-1.7 -2,-0.0 1,-0.0 13,-0.0 -0.939 34.0-131.5-111.7 121.5 94.3 13.6 116.6 51 56 A A - 0 0 63 -2,-0.5 3,-0.1 1,-0.1 -1,-0.0 0.014 37.9 -84.9 -47.4 163.4 92.2 14.7 119.6 52 57 A A - 0 0 72 1,-0.1 -1,-0.1 0, 0.0 2,-0.0 -0.514 66.9 -84.7 -70.3 146.0 88.7 16.2 119.3 53 58 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.325 61.3 163.3 -64.6 136.2 89.1 19.8 118.7 54 59 A T - 0 0 79 282,-0.1 2,-0.5 -3,-0.1 282,-0.1 -0.957 32.1-130.4-145.7 162.1 89.6 22.1 121.7 55 60 A A + 0 0 61 -2,-0.3 279,-0.1 1,-0.1 280,-0.1 -0.976 18.7 176.4-121.8 121.1 90.8 25.6 122.5 56 61 A T - 0 0 87 -2,-0.5 -1,-0.1 2,-0.4 278,-0.1 0.560 52.5-111.8 -96.8 -13.0 93.4 26.1 125.2 57 62 A G S S+ 0 0 57 277,-1.4 2,-0.3 1,-0.3 277,-0.2 0.142 93.7 76.0 100.9 -19.2 93.7 29.9 124.6 58 63 A A S S- 0 0 58 275,-0.2 -2,-0.4 276,-0.2 -1,-0.3 -0.908 93.7 -98.7-111.5 149.6 97.3 29.7 123.3 59 64 A D - 0 0 110 -2,-0.3 2,-0.3 -3,-0.1 274,-0.2 -0.390 54.0-175.8 -54.4 149.4 98.5 28.5 119.9 60 65 A R E -K 332 0B 53 272,-2.0 272,-2.3 -3,-0.0 2,-0.4 -0.992 26.4-133.3-158.9 146.6 99.5 24.9 120.3 61 66 A Q E +K 331 0B 29 -2,-0.3 270,-0.3 270,-0.3 3,-0.1 -0.887 20.1 174.2-113.0 138.2 101.1 22.0 118.4 62 67 A E E + 0 0 29 268,-2.9 29,-2.4 -2,-0.4 2,-0.3 0.802 59.2 12.7-111.1 -51.4 99.7 18.5 118.6 63 68 A L E -KL 330 90B 2 267,-2.1 267,-3.0 27,-0.2 2,-0.4 -0.993 46.4-155.4-135.1 143.2 101.5 16.1 116.1 64 69 A L E -KL 329 89B 1 25,-2.8 25,-3.1 -2,-0.3 2,-0.4 -0.984 28.8-172.3-111.3 129.7 104.6 16.0 114.0 65 70 A V E -KL 328 88B 0 263,-2.7 263,-3.0 -2,-0.4 2,-0.6 -0.965 21.4-156.1-132.8 139.2 104.2 13.6 111.1 66 71 A M E -KL 327 87B 0 21,-2.2 21,-1.9 -2,-0.4 261,-0.2 -0.950 13.7-161.8-116.8 115.9 106.5 12.2 108.4 67 72 A V E -K 326 0B 0 259,-3.5 259,-1.3 -2,-0.6 278,-0.2 -0.873 9.6-147.0-103.2 114.6 104.7 11.0 105.3 68 73 A P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 254,-0.2 -0.378 25.4-111.6 -77.5 162.2 106.7 8.6 103.1 69 74 A Y G > S+ 0 0 5 252,-2.1 3,-2.0 1,-0.3 253,-0.1 0.841 113.7 68.4 -65.0 -36.0 106.3 8.6 99.3 70 75 A R G > S+ 0 0 52 251,-0.5 3,-1.9 1,-0.3 -1,-0.3 0.617 74.5 86.7 -47.8 -24.5 104.7 5.2 99.5 71 76 A Q G X + 0 0 1 -3,-2.3 3,-2.2 1,-0.3 -1,-0.3 0.784 63.3 90.8 -63.2 -15.2 101.8 6.8 101.2 72 77 A L G X > + 0 0 1 -3,-2.0 3,-2.1 1,-0.3 5,-1.7 0.627 64.4 78.8 -49.7 -16.5 100.4 7.4 97.6 73 78 A H G X 5S+ 0 0 87 -3,-1.9 3,-2.8 1,-0.3 -1,-0.3 0.935 79.9 70.8 -62.1 -34.2 98.6 4.1 97.7 74 79 A E G < 5S+ 0 0 39 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.650 103.7 41.5 -49.5 -18.2 96.1 6.0 99.8 75 80 A R G < 5S- 0 0 38 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.243 119.7-105.8-113.1 5.9 95.1 7.8 96.5 76 81 A G T < 5S+ 0 0 63 -3,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.603 75.3 136.7 81.6 13.1 95.2 4.9 94.2 77 82 A F < - 0 0 20 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.2 -0.731 55.6-112.8 -99.4 145.4 98.5 5.9 92.6 78 83 A K + 0 0 55 -2,-0.3 2,-0.3 228,-0.2 235,-0.2 -0.399 42.5 160.9 -73.0 141.6 101.4 3.4 91.8 79 84 A T - 0 0 29 -2,-0.1 2,-0.7 -9,-0.1 240,-0.1 -0.957 50.7 -98.7-144.0 160.4 104.7 3.6 93.7 80 85 A H - 0 0 71 -2,-0.3 2,-0.9 238,-0.3 240,-0.5 -0.824 47.9-144.9 -74.1 122.9 107.6 1.4 94.4 81 86 A D + 0 0 96 -2,-0.7 238,-0.1 1,-0.1 -3,-0.0 -0.824 35.1 164.2 -98.3 101.6 106.6 0.4 97.8 82 87 A D - 0 0 78 -2,-0.9 -1,-0.1 239,-0.1 -2,-0.0 0.375 54.3-117.4 -95.0 -1.5 109.5 -0.0 100.2 83 88 A G + 0 0 45 1,-0.2 -2,-0.1 238,-0.1 -3,-0.0 0.550 48.1 169.6 78.1 9.0 107.2 0.0 103.2 84 89 A A - 0 0 13 1,-0.1 -1,-0.2 -17,-0.0 2,-0.1 -0.355 34.6-125.8 -49.1 130.4 108.6 3.2 104.9 85 90 A P - 0 0 34 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.306 10.0-105.8 -83.1 169.3 106.1 3.8 107.6 86 91 A L - 0 0 4 -44,-0.5 2,-0.5 -19,-0.1 -19,-0.2 -0.781 39.9-152.4 -95.5 128.5 104.1 6.8 108.5 87 92 A V E - L 0 66B 1 -21,-1.9 -21,-2.2 -2,-0.5 2,-0.5 -0.915 14.3-174.2-117.3 124.0 105.6 8.3 111.6 88 93 A A E -JL 40 65B 0 -48,-3.2 -48,-2.8 -2,-0.5 2,-0.6 -0.982 2.7-170.3-118.9 126.5 103.6 10.3 114.1 89 94 A I E -JL 39 64B 2 -25,-3.1 -25,-2.8 -2,-0.5 -50,-0.2 -0.962 20.1-137.5-116.3 109.3 105.4 12.1 117.0 90 95 A T E - L 0 63B 37 -52,-2.1 2,-1.2 -2,-0.6 3,-0.3 -0.423 12.9-132.1 -57.4 135.9 103.1 13.5 119.6 91 96 A C + 0 0 16 -29,-2.4 -54,-0.2 1,-0.2 -30,-0.2 -0.545 46.5 152.2 -94.7 65.8 104.2 17.0 120.7 92 97 A D S S+ 0 0 118 -2,-1.2 2,-0.4 -56,-0.5 -55,-0.2 0.836 71.4 31.9 -60.5 -39.4 103.9 16.3 124.5 93 98 A E E +C 36 0A 64 -57,-2.3 -57,-1.5 -3,-0.3 2,-0.3 -0.977 67.9 175.8-121.4 140.0 106.6 18.9 125.1 94 99 A H E +C 35 0A 79 -2,-0.4 2,-0.2 -59,-0.2 -59,-0.2 -0.834 7.1 163.7-148.7 107.6 107.2 22.1 123.1 95 100 A E E -C 34 0A 40 -61,-2.1 -61,-3.4 -2,-0.3 2,-0.4 -0.714 25.5-136.3-115.1 175.1 109.7 24.8 123.8 96 101 A T E +C 33 0A 77 -63,-0.2 2,-0.3 -2,-0.2 -63,-0.2 -0.983 20.0 178.2-136.1 111.9 111.4 27.6 122.0 97 102 A V E -C 32 0A 13 -65,-2.0 -65,-3.1 -2,-0.4 2,-0.4 -0.784 35.8-101.1-109.6 166.6 115.0 28.6 122.1 98 103 A S E > -C 31 0A 28 -2,-0.3 4,-2.7 -67,-0.2 -67,-0.3 -0.694 22.2-137.1 -84.7 132.4 116.9 31.3 120.3 99 104 A A H > S+ 0 0 12 -69,-3.1 4,-2.5 -2,-0.4 5,-0.3 0.834 103.4 57.8 -56.6 -36.0 118.9 30.1 117.3 100 105 A Q H > S+ 0 0 167 -70,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.967 114.0 36.2 -62.8 -50.6 121.8 32.3 118.4 101 106 A L H > S+ 0 0 102 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.822 115.6 57.2 -69.7 -33.8 122.1 30.6 121.8 102 107 A A H X S+ 0 0 1 -4,-2.7 4,-1.2 2,-0.2 3,-0.3 0.952 106.7 46.5 -62.9 -49.6 121.2 27.2 120.4 103 108 A L H >< S+ 0 0 33 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.942 108.4 54.9 -64.3 -48.8 124.0 27.1 117.9 104 109 A A H 3< S+ 0 0 83 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.864 110.7 49.3 -42.7 -43.5 126.6 28.3 120.5 105 110 A A H 3< S+ 0 0 47 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.702 86.5 91.5 -77.3 -28.3 125.6 25.4 122.7 106 111 A I S << S- 0 0 1 -4,-1.2 2,-0.1 -3,-0.8 -97,-0.0 -0.615 75.1-133.1 -72.9 120.3 125.6 22.4 120.2 107 112 A P - 0 0 83 0, 0.0 61,-0.1 0, 0.0 -2,-0.1 -0.476 17.5-112.0 -72.4 150.6 129.1 20.8 120.3 108 113 A D - 0 0 101 -2,-0.1 2,-0.3 60,-0.1 57,-0.1 -0.281 36.1-169.5 -68.1 158.7 130.9 20.0 117.1 109 114 A A - 0 0 23 53,-0.1 2,-0.7 56,-0.1 0, 0.0 -0.977 32.7-104.8-149.4 149.4 131.3 16.3 116.3 110 115 A D + 0 0 119 -2,-0.3 280,-0.1 1,-0.1 52,-0.1 -0.750 45.0 166.1 -74.4 115.1 133.3 14.3 113.8 111 116 A T + 0 0 2 -2,-0.7 -1,-0.1 278,-0.4 47,-0.0 -0.155 7.7 166.8-124.4 36.4 130.6 13.3 111.3 112 117 A A - 0 0 44 1,-0.1 2,-0.7 278,-0.1 44,-0.6 -0.228 33.3-133.0 -44.7 141.4 132.8 12.2 108.3 113 118 A L E -D 155 0A 13 42,-0.1 3,-0.4 273,-0.1 42,-0.2 -0.888 25.3-154.9-109.8 102.9 130.7 10.3 105.8 114 119 A G E +D 154 0A 33 40,-3.4 40,-2.0 -2,-0.7 3,-0.2 -0.302 65.7 10.4 -83.1 164.4 132.4 7.0 104.8 115 120 A E E S- 0 0 168 38,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.889 84.5-171.4 33.6 57.8 132.2 5.0 101.6 116 121 A R E + 0 0 112 -3,-0.4 2,-0.3 37,-0.1 37,-0.2 -0.589 19.8 132.9 -83.9 130.0 130.2 7.8 100.0 117 122 A H E -D 152 0A 88 35,-2.7 35,-3.3 -2,-0.4 2,-0.5 -0.991 55.4 -96.6-164.4 162.6 128.6 7.1 96.7 118 123 A F E -D 151 0A 19 -2,-0.3 33,-0.2 33,-0.2 4,-0.0 -0.787 28.2-135.1 -89.2 129.3 125.4 7.3 94.5 119 124 A D S S+ 0 0 49 31,-2.9 2,-0.5 -2,-0.5 -1,-0.1 0.873 101.2 35.2 -51.9 -43.6 123.3 4.1 94.5 120 125 A I S S- 0 0 11 30,-0.2 -1,-0.1 -3,-0.0 5,-0.0 -0.963 98.2-129.6-106.9 124.5 122.9 4.5 90.7 121 126 A D > - 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R 0 326B 0 -148,-2.4 2,-1.8 -2,-0.3 -148,-0.3 -0.636 33.3-124.1 -78.6 131.9 108.6 19.0 101.4 345 350 A L + 0 0 3 -20,-3.1 -21,-2.6 -2,-0.4 -20,-0.5 -0.513 65.1 119.9 -82.2 77.1 111.2 16.4 102.3 346 351 A I + 0 0 26 -2,-1.8 -153,-0.2 -23,-0.2 -150,-0.1 -0.875 61.1 35.5-125.9 167.5 114.1 17.1 99.9 347 352 A R S S+ 0 0 61 13,-0.6 -154,-2.0 -2,-0.3 2,-0.3 0.941 96.0 121.5 49.1 56.3 117.7 18.1 100.7 348 353 A T E -H 192 0A 14 12,-0.3 12,-0.6 -156,-0.2 2,-0.4 -1.000 58.2-135.3-151.5 140.7 117.5 15.9 103.7 349 354 A A E -HI 191 359A 0 -158,-3.9 -158,-2.3 -2,-0.3 2,-0.6 -0.774 8.4-156.4 -98.7 138.6 119.4 12.9 105.1 350 355 A E E -HI 190 358A 44 8,-2.3 8,-1.7 -2,-0.4 2,-0.4 -0.986 17.8-168.5-110.0 117.1 117.6 9.9 106.6 351 356 A I E -HI 189 357A 0 -162,-3.2 -162,-2.2 -2,-0.6 6,-0.2 -0.885 7.2-146.6-107.9 141.2 120.0 8.2 109.0 352 357 A D E > -H 188 0A 62 4,-1.5 3,-1.2 -2,-0.4 -164,-0.2 -0.330 34.2 -93.5 -97.5-180.0 119.3 4.7 110.4 353 358 A R T 3 S+ 0 0 176 -166,-0.6 -165,-0.1 1,-0.3 -195,-0.1 0.937 125.1 52.7 -58.9 -44.3 120.2 3.3 113.8 354 359 A A T 3 S- 0 0 84 1,-0.1 -196,-0.3 2,-0.1 -1,-0.3 0.549 123.4-102.6 -73.5 -7.3 123.4 1.8 112.5 355 360 A G < + 0 0 0 -3,-1.2 -200,-2.1 1,-0.3 2,-0.6 0.595 67.5 151.5 97.2 15.2 124.5 5.1 111.0 356 361 A H E -F 154 0A 44 -202,-0.2 -4,-1.5 -204,-0.0 2,-0.3 -0.696 31.5-151.0 -83.1 123.2 123.7 4.5 107.4 357 362 A V E -FI 153 351A 1 -204,-3.1 -204,-1.6 -2,-0.6 2,-0.4 -0.763 14.5-175.5 -97.9 139.6 122.9 7.8 105.6 358 363 A R E -FI 152 350A 82 -8,-1.7 -8,-2.3 -2,-0.3 2,-0.4 -0.999 1.5-178.7-130.0 129.0 120.6 8.2 102.5 359 364 A I E -FI 151 349A 1 -208,-2.6 -208,-3.5 -2,-0.4 2,-0.4 -0.971 15.3-148.7-130.1 114.9 120.1 11.4 100.6 360 365 A G E -F 150 0A 11 -12,-0.6 -13,-0.6 -2,-0.4 2,-0.4 -0.671 14.5-174.1 -80.6 130.9 117.7 11.6 97.7 361 366 A V E -F 149 0A 9 -212,-2.6 -212,-2.4 -2,-0.4 2,-0.2 -1.000 5.5-161.8-123.5 133.3 118.4 14.1 94.9 362 367 A G E -F 148 0A 2 -2,-0.4 2,-0.4 -214,-0.2 -214,-0.2 -0.622 11.6-149.6-105.5 165.5 116.1 14.8 92.0 363 368 A S E -F 147 0A 0 -216,-1.6 -216,-1.8 -2,-0.2 2,-0.5 -0.995 18.6-136.3-126.8 131.5 116.5 16.3 88.6 364 369 A T E -F 146 0A 39 -2,-0.4 2,-0.4 -218,-0.2 -218,-0.2 -0.860 25.7-156.0 -90.2 127.2 113.5 18.1 87.0 365 370 A L E +F 145 0A 0 -220,-2.6 -220,-1.2 -2,-0.5 2,-0.2 -0.880 21.0 165.9-111.1 131.3 113.2 17.1 83.4 366 371 A V > - 0 0 6 -2,-0.4 3,-1.5 -222,-0.2 -222,-0.1 -0.724 54.7 -87.4-125.9-177.2 111.5 19.0 80.5 367 372 A R T 3 S+ 0 0 90 -224,-0.3 -229,-0.1 1,-0.3 -223,-0.0 0.893 126.5 46.8 -66.0 -37.0 111.8 18.3 76.8 368 373 A H T 3 S+ 0 0 123 2,-0.1 -1,-0.3 -3,-0.0 -235,-0.0 0.347 85.9 123.6 -82.8 5.6 114.9 20.5 76.3 369 374 A S < - 0 0 19 -3,-1.5 2,-0.5 1,-0.1 -4,-0.1 -0.251 55.6-137.9 -68.2 155.7 116.7 19.0 79.3 370 375 A D > - 0 0 78 1,-0.2 4,-2.1 -237,-0.0 5,-0.3 -0.961 4.1-143.8-118.9 116.2 120.2 17.4 78.8 371 376 A A H > S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.865 99.2 44.2 -45.0 -54.9 120.9 14.1 80.6 372 377 A V H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.928 110.8 53.5 -62.0 -46.6 124.6 14.8 81.3 373 378 A S H > S+ 0 0 56 1,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.905 112.3 46.9 -50.1 -43.1 124.0 18.3 82.4 374 379 A E H X S+ 0 0 40 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.827 106.5 55.9 -76.5 -31.6 121.4 17.0 84.9 375 380 A V H >X S+ 0 0 12 -4,-2.4 3,-1.2 -5,-0.3 4,-0.9 0.978 111.6 44.5 -58.4 -51.4 123.6 14.2 86.2 376 381 A M H 3X S+ 0 0 122 -4,-2.3 4,-1.8 1,-0.3 3,-0.4 0.841 105.9 61.8 -65.7 -30.3 126.3 16.7 87.1 377 382 A E H 3X S+ 0 0 54 -4,-1.5 4,-3.1 -5,-0.3 -1,-0.3 0.837 95.0 61.2 -67.0 -28.3 123.7 19.0 88.5 378 383 A T H < S+ 0 0 53 -4,-1.8 3,-2.0 1,-0.2 4,-0.4 0.978 108.7 53.2 -57.9 -51.6 125.9 20.3 92.8 381 386 A K H >< S+ 0 0 75 -4,-3.1 3,-0.9 1,-0.3 4,-0.3 0.896 107.5 50.3 -57.0 -43.7 122.6 19.9 94.6 382 387 A V T 3X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 -1,-0.3 0.453 84.1 91.5 -73.6 -2.0 124.0 17.5 97.3 383 388 A A H <> S+ 0 0 20 -3,-2.0 4,-3.0 -4,-0.4 -1,-0.2 0.867 77.5 61.6 -65.6 -36.0 126.9 19.7 98.2 384 389 A A H <> S+ 0 0 4 -3,-0.9 4,-0.9 -4,-0.4 -1,-0.2 0.964 116.6 28.8 -54.8 -58.2 125.0 21.5 100.9 385 390 A L H >> S+ 0 0 1 -4,-0.3 4,-1.3 2,-0.2 3,-0.6 0.903 116.0 60.3 -67.7 -43.9 124.4 18.4 103.0 386 391 A S H >X S+ 0 0 16 -4,-2.9 4,-1.4 1,-0.3 3,-0.6 0.924 111.3 42.6 -50.5 -44.6 127.5 16.7 101.8 387 392 A N H 3< S+ 0 0 25 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.680 103.7 63.7 -73.1 -19.0 129.4 19.6 103.3 388 393 A A H << S+ 0 0 5 -4,-0.9 -1,-0.2 -3,-0.6 -219,-0.2 0.727 112.5 38.2 -79.6 -15.6 127.3 19.7 106.4 389 394 A F H << S+ 0 0 0 -4,-1.3 -278,-0.4 -3,-0.6 -2,-0.2 0.766 130.5 27.7 -95.3 -34.5 128.7 16.2 107.1 390 395 A D S < S- 0 0 71 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.722 82.6-163.3-134.4 74.8 132.2 16.8 105.9 391 396 A P > - 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