==== 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 HYDROLASE 15-MAR-10 3M6D . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS OBEUM; . AUTHOR K.TAN,C.TESAR,L.FREEMAN,G.BABNIGG,A.JOACHIMIAK,MIDWEST CENTE . 1313 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 875 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 16.5 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 133 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.8 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 6 0 2 0 4 2 2 3 1 2 1 0 4 0 0 0 0 0 0 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 7 4 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 0 PARALLEL BRIDGES PER LADDER . 10 9 6 8 7 9 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 . 8 2 6 4 1 2 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 0 A A 0 0 125 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -0.5 13.2 30.9 10.1 2 1 A M + 0 0 114 1,-0.4 135,-2.2 133,-0.1 2,-0.3 0.504 360.0 19.5-129.5 -35.5 10.3 28.5 10.8 3 2 A I E +A 136 0A 23 133,-0.2 -1,-0.4 2,-0.0 2,-0.3 -0.999 63.7 176.5-135.7 142.3 12.1 25.1 10.8 4 3 A R E -A 135 0A 35 131,-1.6 131,-2.6 -2,-0.3 2,-0.4 -0.973 16.9-149.3-135.6 152.6 15.8 24.2 11.2 5 4 A K E -Ab 134 23A 23 17,-0.9 19,-2.5 -2,-0.3 2,-0.5 -0.977 9.0-159.2-118.7 132.9 17.7 20.9 11.3 6 5 A Y E -A 133 0A 7 127,-2.5 127,-2.5 -2,-0.4 2,-0.4 -0.969 10.7-154.4-113.4 125.8 20.8 20.7 13.3 7 6 A R E -A 132 0A 102 -2,-0.5 2,-0.4 17,-0.4 125,-0.2 -0.835 12.1-176.8-104.6 135.0 23.1 17.9 12.4 8 7 A Y E -A 131 0A 42 123,-2.4 123,-1.8 -2,-0.4 -2,-0.0 -0.993 58.4 -26.9-128.2 137.9 25.6 16.3 14.8 9 8 A G S S- 0 0 54 -2,-0.4 121,-0.2 121,-0.2 120,-0.0 -0.272 110.2 -39.6 56.9-140.2 28.1 13.6 13.7 10 9 A A - 0 0 77 119,-0.0 2,-0.5 -3,-0.0 -1,-0.1 -0.879 67.8-151.0-122.6 98.3 27.0 11.4 10.8 11 10 A P - 0 0 21 0, 0.0 120,-0.2 0, 0.0 95,-0.1 -0.562 12.4-121.5 -87.2 126.1 23.3 10.7 11.0 12 11 A F - 0 0 53 -2,-0.5 2,-0.6 118,-0.4 120,-0.2 -0.140 30.9-112.5 -47.4 147.2 21.8 7.5 9.6 13 12 A D + 0 0 117 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.816 40.9 166.9 -97.4 116.7 19.0 8.1 7.0 14 13 A T - 0 0 3 -2,-0.6 -1,-0.1 -3,-0.0 -2,-0.0 0.484 42.0-129.7-114.8 -7.6 15.7 7.0 8.4 15 14 A E + 0 0 85 2,-0.1 -2,-0.1 1,-0.0 3,-0.0 0.766 57.8 144.6 58.4 27.1 13.3 8.5 5.8 16 15 A A + 0 0 1 1,-0.1 2,-0.3 2,-0.0 -3,-0.0 0.990 59.2 37.9 -53.1 -69.4 11.3 10.0 8.6 17 16 A L - 0 0 27 1,-0.1 135,-0.3 2,-0.1 136,-0.1 -0.646 61.9-152.0 -94.9 143.7 10.3 13.3 6.9 18 17 A T S S+ 0 0 84 133,-1.9 2,-0.4 -2,-0.3 134,-0.2 0.738 76.6 80.6 -80.6 -24.7 9.3 13.8 3.3 19 18 A E S S- 0 0 74 132,-1.7 2,-0.5 1,-0.0 -2,-0.1 -0.700 77.5-131.1 -87.8 133.4 10.5 17.5 3.2 20 19 A K - 0 0 201 -2,-0.4 2,-0.4 2,-0.0 -2,-0.1 -0.690 24.2-171.1 -72.8 124.4 14.2 18.4 2.7 21 20 A I - 0 0 23 -2,-0.5 3,-0.1 130,-0.0 -17,-0.1 -0.991 25.3-117.1-117.4 128.9 15.2 21.0 5.4 22 21 A E - 0 0 173 -2,-0.4 -17,-0.9 1,-0.1 2,-0.1 -0.343 33.3 -99.4 -66.4 138.7 18.7 22.6 4.9 23 22 A T B -b 5 0A 51 -19,-0.1 2,-0.2 1,-0.1 -17,-0.2 -0.363 42.1-133.8 -49.8 124.5 21.4 22.0 7.6 24 23 A A - 0 0 15 -19,-2.5 -17,-0.4 1,-0.1 -1,-0.1 -0.660 19.0-168.7 -92.8 153.0 21.4 25.1 9.8 25 24 A E + 0 0 156 -2,-0.2 -1,-0.1 -19,-0.1 3,-0.1 0.419 54.5 88.3-126.1 -10.9 24.7 26.8 10.8 26 25 A E S S- 0 0 110 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.123 89.5 -60.2 -79.7-172.9 23.9 29.2 13.6 27 26 A A - 0 0 78 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 -0.119 55.3 -97.2 -63.0 159.5 23.8 28.5 17.3 28 27 A F - 0 0 35 1,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.761 37.5-148.6 -77.2 126.8 21.5 25.9 18.9 29 28 A P + 0 0 50 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.899 67.6 45.9 -69.5 -44.8 18.6 28.1 20.2 30 29 A Y S S- 0 0 41 2,-0.0 12,-0.1 13,-0.0 13,-0.0 -0.854 107.3 -31.7-116.9 135.7 17.4 26.3 23.4 31 30 A G S S- 0 0 36 -2,-0.4 2,-0.3 13,-0.1 12,-0.2 -0.310 87.4 -59.8 62.2-146.4 19.2 24.8 26.3 32 31 A E E -F 42 0B 124 10,-1.2 10,-1.6 2,-0.0 2,-0.3 -0.923 33.6-143.4-135.8 149.5 22.7 23.3 25.9 33 32 A I E -F 41 0B 44 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.885 19.0-171.1-112.4 150.2 24.3 20.5 23.9 34 33 A S E +F 40 0B 46 6,-1.5 6,-1.1 -2,-0.3 3,-0.2 -0.936 26.4 179.7-147.3 126.9 27.1 18.4 25.3 35 34 A Q + 0 0 102 -2,-0.3 3,-0.2 4,-0.2 94,-0.1 0.401 59.2 109.2 -98.5 1.4 29.4 15.8 23.7 36 35 A K S S+ 0 0 172 1,-0.2 2,-0.4 4,-0.1 -1,-0.1 0.871 96.5 10.4 -45.7 -59.8 31.2 15.2 27.1 37 36 A E S S- 0 0 148 -3,-0.2 -1,-0.2 89,-0.0 89,-0.2 -1.000 129.8 -57.7-115.7 126.9 29.6 11.8 27.5 38 37 A G S S- 0 0 31 -2,-0.4 2,-0.4 89,-0.2 89,-0.2 -0.058 102.7 -33.7 43.8-125.8 27.8 10.6 24.3 39 38 A F E + G 0 126B 1 87,-3.4 87,-2.5 89,-0.1 2,-0.3 -0.988 63.7 174.6-126.2 139.9 25.1 13.1 23.4 40 39 A A E -FG 34 125B 10 -6,-1.1 -6,-1.5 -2,-0.4 2,-0.4 -0.970 15.7-169.9-146.9 134.1 23.0 15.3 25.7 41 40 A F E -FG 33 124B 0 83,-3.2 83,-3.1 -2,-0.3 2,-0.4 -0.985 15.3-169.7-115.5 132.8 20.5 18.1 25.4 42 41 A T E +FG 32 123B 31 -10,-1.6 -10,-1.2 -2,-0.4 2,-0.4 -0.973 7.3 179.7-131.1 123.3 19.3 20.0 28.6 43 42 A Y E - G 0 122B 30 79,-3.1 79,-3.1 -2,-0.4 2,-0.7 -0.973 20.5-147.0-123.8 129.0 16.5 22.5 29.0 44 43 A I E - G 0 121B 90 -2,-0.4 2,-0.3 77,-0.2 77,-0.2 -0.868 30.5-157.1 -91.5 117.3 15.4 24.3 32.2 45 44 A M - 0 0 8 75,-3.4 -2,-0.0 -2,-0.7 49,-0.0 -0.702 15.8-103.8-105.2 147.9 11.7 24.7 31.9 46 45 A D > - 0 0 65 -2,-0.3 3,-1.7 1,-0.1 -1,-0.1 -0.229 33.2-111.9 -62.6 153.0 9.2 27.1 33.5 47 46 A E T 3 S+ 0 0 141 1,-0.3 -1,-0.1 49,-0.0 -2,-0.0 0.756 118.6 49.1 -53.0 -30.2 6.9 25.9 36.4 48 47 A D T 3 S+ 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.550 83.1 130.4 -89.2 -9.5 3.9 26.2 34.2 49 48 A D < - 0 0 3 -3,-1.7 2,-0.4 45,-0.0 47,-0.2 -0.200 39.7-163.2 -57.1 126.5 5.4 24.3 31.3 50 49 A I E -C 95 0A 5 45,-1.7 45,-3.2 13,-0.0 2,-0.5 -0.916 9.1-150.8-101.2 139.7 3.3 21.4 29.7 51 50 A V E -C 94 0A 0 -2,-0.4 12,-3.1 43,-0.2 13,-0.3 -0.971 14.9-175.3-117.1 119.0 5.2 19.0 27.6 52 51 A Y E +C 93 0A 6 41,-2.8 41,-2.8 -2,-0.5 2,-0.2 -0.653 34.8 53.8-104.2 163.7 3.4 17.1 24.7 53 52 A G E +C 92 0A 0 8,-0.3 39,-0.2 39,-0.3 4,-0.1 -0.747 31.8 116.2 118.4-165.4 4.6 14.4 22.3 54 53 A L - 0 0 6 37,-2.9 35,-0.3 -2,-0.2 385,-0.1 0.692 56.6-146.1 64.5 26.2 6.2 10.9 22.2 55 54 A G S S+ 0 0 1 383,-0.7 2,-1.5 36,-0.2 384,-0.3 0.216 81.0 26.6 22.0-112.6 3.2 9.2 20.5 56 55 A E S S+ 0 0 4 382,-0.2 31,-0.7 383,-0.1 29,-0.3 -0.603 97.6 116.9 -79.0 91.5 3.0 5.6 21.9 57 56 A S - 0 0 13 -2,-1.5 27,-0.1 2,-0.1 381,-0.1 -0.899 63.0 -70.8-149.7 174.7 4.7 6.2 25.3 58 57 A N S S- 0 0 5 -2,-0.3 -1,-0.1 25,-0.2 22,-0.1 -0.036 79.6 -5.6 -77.5 168.4 3.7 5.9 29.0 59 58 A R S S- 0 0 21 2,-0.0 -2,-0.1 0, 0.0 4,-0.1 -0.027 94.1 -2.5 56.1-146.1 1.5 8.0 31.3 60 59 A G - 0 0 6 2,-0.4 -3,-0.1 4,-0.2 1154,-0.0 0.093 60.6-103.9 -87.3-178.2 -0.3 11.2 30.4 61 60 A I S S+ 0 0 7 1,-0.2 2,-0.7 473,-0.1 -8,-0.3 0.902 116.7 60.1 -69.3 -41.5 -0.8 13.8 27.7 62 61 A N S S- 0 0 4 1,-0.1 -2,-0.4 1151,-0.1 -10,-0.2 -0.803 77.5-162.7 -84.6 112.0 1.5 16.0 29.8 63 62 A K + 0 0 2 -12,-3.1 3,-0.3 -2,-0.7 51,-0.1 0.725 44.9 125.3 -70.8 -19.2 4.8 14.0 29.9 64 63 A R + 0 0 17 -13,-0.3 51,-0.2 1,-0.2 -4,-0.2 0.113 58.5 33.5 -51.9 148.8 6.3 15.9 32.8 65 64 A G S S+ 0 0 7 49,-1.5 2,-0.3 1,-0.3 50,-0.2 0.734 106.2 61.0 81.1 25.6 7.5 14.1 35.9 66 65 A Y E S-H 114 0B 0 48,-1.3 48,-1.4 -3,-0.3 50,-0.4 -0.941 72.8-103.9-164.0-170.5 8.8 10.9 34.4 67 66 A C E -H 113 0B 9 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.942 20.9-168.7-135.0 139.6 11.2 9.2 32.1 68 67 A Y E -H 112 0B 5 44,-2.7 44,-3.9 -2,-0.4 2,-0.6 -0.960 5.1-165.3-142.8 123.1 11.0 7.7 28.6 69 68 A I E -H 111 0B 37 14,-1.2 2,-1.3 -2,-0.4 16,-0.2 -0.910 19.8-138.7-111.1 119.1 13.4 5.6 26.6 70 69 A S E +H 110 0B 10 40,-2.0 40,-1.1 -2,-0.6 18,-0.1 -0.649 54.7 130.4 -74.0 94.5 12.7 5.1 22.9 71 70 A N - 0 0 48 -2,-1.3 17,-0.1 16,-0.4 -1,-0.1 -0.460 61.1-126.4-151.4 74.3 13.5 1.4 22.5 72 71 A C + 0 0 1 335,-0.2 2,-0.3 14,-0.1 14,-0.2 0.206 46.9 170.6 -30.4 106.3 10.9 -0.6 20.7 73 72 A T - 0 0 31 12,-2.4 2,-0.8 14,-0.1 -1,-0.1 -0.943 39.1-134.1-133.7 153.9 10.2 -3.4 23.2 74 73 A D + 0 0 35 -2,-0.3 12,-0.1 238,-0.1 11,-0.1 -0.831 35.0 162.8-105.8 91.4 7.8 -6.2 23.8 75 74 A D - 0 0 47 -2,-0.8 -2,-0.1 1,-0.2 7,-0.0 -0.956 31.2-156.1-111.0 122.8 6.7 -6.3 27.5 76 75 A P S S+ 0 0 53 0, 0.0 346,-0.7 0, 0.0 2,-0.4 0.936 84.2 63.2 -48.3 -49.8 3.6 -8.2 28.6 77 76 A I - 0 0 62 344,-0.1 346,-0.0 1,-0.1 -2,-0.0 -0.667 60.1-175.9 -92.3 132.3 3.2 -5.9 31.6 78 77 A H + 0 0 11 -2,-0.4 -1,-0.1 4,-0.0 345,-0.0 0.075 23.4 156.7-119.7 24.1 2.5 -2.2 31.1 79 78 A T > - 0 0 9 1,-0.1 3,-2.2 2,-0.1 657,-0.0 0.089 59.5 -94.0 -48.1 160.3 2.5 -0.7 34.6 80 79 A E T 3 S+ 0 0 49 1,-0.3 -1,-0.1 -22,-0.1 -22,-0.0 0.588 119.3 63.6 -55.7 -16.6 3.2 2.9 35.3 81 80 A D T 3 S+ 0 0 19 -15,-0.1 -1,-0.3 -23,-0.0 -2,-0.1 0.696 74.6 112.9 -88.1 -19.2 6.9 2.3 35.9 82 81 A K < - 0 0 37 -3,-2.2 -15,-0.1 1,-0.1 -24,-0.1 -0.181 42.1-173.6 -58.9 142.7 7.7 1.1 32.4 83 82 A R + 0 0 67 1,-0.2 -14,-1.2 -15,-0.1 2,-0.5 0.693 69.0 51.5-108.5 -30.5 10.0 3.4 30.4 84 83 A S + 0 0 24 -16,-0.2 -1,-0.2 -14,-0.1 -14,-0.1 -0.947 56.1 162.6-114.5 125.0 9.8 1.6 27.0 85 84 A L - 0 0 6 -2,-0.5 -12,-2.4 2,-0.3 -28,-0.1 0.354 58.9 -70.4-100.6-119.5 6.6 0.7 25.2 86 85 A Y S S+ 0 0 4 -30,-0.3 321,-1.0 -14,-0.2 2,-0.1 0.677 101.0 72.7-114.9 -29.4 6.4 -0.2 21.4 87 86 A G E -j 407 0C 7 -31,-0.7 -16,-0.4 319,-0.2 -2,-0.3 -0.424 53.7-157.9 -90.2 163.2 7.0 3.1 19.6 88 87 A A E +j 408 0C 0 319,-1.1 2,-1.0 289,-0.2 321,-0.7 -0.516 33.6 155.9-130.1 63.8 10.1 5.2 19.1 89 88 A H - 0 0 3 -35,-0.3 2,-0.3 -33,-0.2 -35,-0.1 -0.784 18.9-174.7-100.2 99.9 8.3 8.5 18.4 90 89 A N + 0 0 0 -2,-1.0 14,-1.8 14,-0.2 2,-0.5 -0.077 38.8 117.2 -93.1 32.7 10.8 11.1 19.2 91 90 A F E + D 0 103A 0 -2,-0.3 -37,-2.9 12,-0.2 2,-0.3 -0.866 35.0 172.6-101.0 130.2 8.8 14.3 18.8 92 91 A I E -CD 53 102A 1 10,-2.1 10,-2.9 -2,-0.5 2,-0.4 -0.984 16.1-158.7-131.3 150.9 8.2 16.6 21.8 93 92 A I E -CD 52 101A 0 -41,-2.8 -41,-2.8 -2,-0.3 2,-0.5 -0.994 8.8-149.9-127.5 128.3 6.7 20.1 22.2 94 93 A V E -CD 51 100A 1 6,-2.3 6,-1.2 -2,-0.4 2,-0.5 -0.837 16.9-168.3 -89.8 126.7 7.2 22.4 25.2 95 94 A S E +CD 50 99A 29 -45,-3.2 -45,-1.7 -2,-0.5 4,-0.2 -0.851 42.7 86.5-127.2 95.9 4.1 24.6 25.7 96 95 A G S S- 0 0 38 2,-0.9 3,-0.1 -2,-0.5 45,-0.1 -0.023 99.6 -42.1-147.7-114.8 4.5 27.5 28.0 97 96 A K S S+ 0 0 171 1,-0.4 2,-0.3 -2,-0.0 -1,-0.0 0.813 136.6 41.9 -94.9 -62.3 5.7 31.1 27.6 98 97 A T S S- 0 0 66 -3,-0.1 -2,-0.9 2,-0.0 -1,-0.4 -0.618 86.5-172.8 -68.6 138.8 8.6 30.0 25.4 99 98 A T E +D 95 0A 20 -2,-0.3 39,-0.7 -4,-0.2 2,-0.3 -0.973 17.8 136.9-152.9 123.6 7.1 27.4 23.0 100 99 A F E -DE 94 137A 1 -6,-1.2 -6,-2.3 -2,-0.4 2,-0.3 -0.961 35.1-131.9-169.2 146.4 8.9 25.1 20.5 101 100 A G E -DE 93 136A 0 35,-2.6 35,-2.1 -2,-0.3 2,-0.4 -0.714 15.1-154.9-109.3 159.0 8.9 21.5 19.3 102 101 A L E -DE 92 135A 0 -10,-2.9 -10,-2.1 -2,-0.3 2,-0.5 -0.996 8.3-163.5-135.0 132.6 11.8 19.2 18.7 103 102 A F E -DE 91 134A 0 31,-2.5 31,-3.2 -2,-0.4 2,-1.0 -0.970 9.1-161.7-112.4 119.3 12.3 16.2 16.5 104 103 A F E - 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0 0 28 -3,-1.7 2,-0.3 87,-0.0 -1,-0.3 -0.765 55.4-144.9-114.7 165.0 1.4 -20.1 4.0 210 209 A V - 0 0 20 -2,-0.3 2,-1.3 -8,-0.2 -8,-0.2 -0.959 36.8 -94.7-126.2 151.1 -2.1 -21.4 4.8 211 210 A N > - 0 0 25 -10,-1.3 4,-2.9 -2,-0.3 3,-0.2 -0.500 36.0-162.4 -66.6 92.3 -3.0 -24.7 6.6 212 211 A E T 4 S+ 0 0 138 -2,-1.3 -1,-0.2 1,-0.2 -9,-0.0 0.721 87.3 49.3 -50.1 -26.3 -3.4 -26.9 3.5 213 212 A K T 4 S+ 0 0 171 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.923 117.0 35.7 -82.1 -48.4 -5.3 -29.4 5.7 214 213 A N T 4 S+ 0 0 36 1,-0.3 -39,-0.5 -3,-0.2 -2,-0.2 0.744 128.0 37.2 -77.4 -26.3 -7.8 -27.0 7.4 215 214 A F < + 0 0 5 -4,-2.9 3,-0.4 1,-0.1 -1,-0.3 -0.800 61.9 160.2-128.8 85.5 -8.2 -24.8 4.4 216 215 A P S S+ 0 0 98 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.910 83.0 29.7 -74.5 -39.9 -8.2 -26.9 1.2 217 216 A D S >> S+ 0 0 83 1,-0.2 4,-1.2 2,-0.0 3,-0.5 -0.687 75.0 167.6-118.6 78.6 -10.0 -24.2 -0.9 218 217 A F H >> S+ 0 0 6 -2,-0.5 4,-2.4 -3,-0.4 3,-1.6 0.943 71.2 51.5 -65.1 -55.0 -8.9 -21.0 0.7 219 218 A P H 3> S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.770 109.6 54.5 -55.8 -25.4 -10.0 -18.4 -1.9 220 219 A E H <> S+ 0 0 120 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.785 109.1 47.3 -72.1 -31.4 -13.5 -20.0 -1.8 221 220 A F H <>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-1.4 0.837 110.5 54.8 -68.7 -42.3 -16.9 -14.6 4.3 226 225 A K H ><5S+ 0 0 56 -4,-2.2 3,-1.6 3,-0.3 -1,-0.2 0.758 99.3 62.9 -67.1 -24.6 -16.9 -11.6 2.0 227 226 A D T 3<5S+ 0 0 107 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.504 105.1 47.3 -77.6 -5.2 -20.4 -12.5 0.8 228 227 A Q T < 5S- 0 0 71 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.030 127.6-106.6-112.6 24.4 -21.4 -11.8 4.5 229 228 A E T < 5S+ 0 0 38 -3,-1.6 2,-0.5 1,-0.2 -3,-0.3 0.882 77.9 138.8 49.1 46.4 -19.4 -8.6 4.3 230 229 A L < - 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0 0 0 19,-3.0 8,-1.4 -2,-0.2 19,-0.4 -0.516 48.7-149.4 -61.2 137.9 20.0 -10.6 8.8 260 259 A K B -WX 266 362I 45 102,-0.7 102,-2.4 6,-0.3 6,-0.3 -0.796 9.6-115.7-112.6 156.0 23.4 -12.3 9.3 261 260 A R - 0 0 46 4,-4.0 3,-0.4 -2,-0.3 100,-0.2 -0.120 36.3-106.1 -70.5 179.4 25.7 -12.8 12.3 262 261 A E S S+ 0 0 136 98,-0.5 -1,-0.1 1,-0.2 99,-0.1 0.911 121.0 65.8 -78.8 -42.7 29.2 -11.2 12.3 263 262 A D S S- 0 0 124 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.586 124.2-109.6 -46.4 -14.2 30.8 -14.6 11.6 264 263 A G S S+ 0 0 48 -3,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.372 80.6 113.9 100.7 -1.1 28.9 -14.1 8.3 265 264 A S S S- 0 0 44 1,-0.1 -4,-4.0 -5,-0.0 2,-0.3 -0.522 77.2 -77.7-101.1 166.2 26.1 -16.8 8.7 266 265 A D B -W 260 0I 25 -6,-0.3 -6,-0.3 -2,-0.2 2,-0.2 -0.497 49.2-120.6 -71.6 126.0 22.3 -16.3 9.0 267 266 A F - 0 0 0 -8,-1.4 2,-0.4 -2,-0.3 11,-0.4 -0.424 23.0-145.8 -72.5 133.8 21.2 -15.3 12.5 268 267 A V + 0 0 17 -2,-0.2 50,-0.9 9,-0.1 2,-0.4 -0.864 20.5 172.0-106.3 125.8 18.8 -17.6 14.4 269 268 A A E -TU 276 317G 0 7,-2.3 7,-4.6 -2,-0.4 2,-0.5 -0.968 28.2-128.3-126.9 144.8 16.0 -16.4 16.8 270 269 A A E +TU 275 316G 2 46,-2.4 45,-2.3 -2,-0.4 46,-0.7 -0.834 42.8 143.4 -93.0 131.4 13.3 -18.5 18.3 271 270 A V E > S-T 274 0G 7 3,-2.0 3,-2.0 -2,-0.5 43,-0.1 -0.550 72.0 -44.8-140.3-153.8 9.7 -17.3 18.0 272 271 A W T 3 S+ 0 0 77 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.859 142.2 44.3 -58.8 -40.2 6.4 -19.1 17.5 273 272 A P T 3 S- 0 0 14 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.638 111.1-130.1 -67.7 -14.0 7.9 -21.4 14.8 274 273 A G E < S+ T 0 271G 21 -3,-2.0 -3,-2.0 -33,-0.1 2,-0.5 -0.888 81.9 34.9 93.9-132.7 11.0 -21.9 17.0 275 274 A D E S+ T 0 270G 75 -2,-0.5 -33,-2.5 -5,-0.2 -5,-0.3 -0.427 79.9 160.2 -64.2 109.8 14.3 -21.3 15.1 276 275 A T E -ST 241 269G 0 -7,-4.6 -7,-2.3 -2,-0.5 2,-0.2 -0.747 32.1-135.2-119.8 172.0 13.6 -18.4 12.6 277 276 A H E -S 240 0G 9 -37,-2.1 -37,-2.3 -2,-0.2 -9,-0.1 -0.745 22.7-120.2-114.2 169.9 15.6 -15.9 10.6 278 277 A F - 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0 0 2 -5,-1.1 -1,-0.3 1,-0.1 -69,-0.1 -0.224 23.5-178.4 -50.2 134.1 -7.6 -10.8 1.4 303 302 A E + 0 0 26 -71,-0.7 98,-1.4 1,-0.2 2,-0.3 0.368 62.1 33.5-123.9 3.9 -7.9 -7.0 1.6 304 303 A G E - p 0 401F 0 -72,-0.5 2,-0.2 96,-0.2 -1,-0.2 -0.982 59.7-170.0-157.9 150.1 -6.1 -6.1 4.9 305 304 A F E - p 0 402F 0 96,-2.4 98,-0.6 -2,-0.3 2,-0.3 -0.731 8.6-149.3-131.0 175.3 -3.1 -7.4 6.9 306 305 A W E -op 235 403F 2 -72,-1.0 -70,-2.5 -2,-0.2 2,-0.4 -0.911 7.1-149.3-157.2 132.9 -1.4 -7.0 10.3 307 306 A N E +op 236 404F 0 96,-2.4 98,-0.6 -2,-0.3 2,-0.2 -0.841 20.9 173.1-105.6 133.6 2.2 -7.3 11.4 308 307 A A E +o 237 0F 6 -72,-2.0 -70,-1.1 -2,-0.4 5,-0.0 -0.783 55.0 33.3-132.3 175.5 3.2 -8.4 14.9 309 308 A M S > S+ 0 0 40 -2,-0.2 4,-1.2 -72,-0.2 -70,-0.2 0.800 75.1 142.1 46.5 35.7 6.4 -9.3 16.9 310 309 A N T 4 + 0 0 0 2,-0.3 73,-0.2 1,-0.2 -1,-0.2 -0.101 44.3 77.4-101.3 32.1 8.1 -6.7 14.7 311 310 A E T 4 S- 0 0 3 68,-0.1 69,-0.4 69,-0.1 68,-0.3 0.892 125.9-102.0 -76.7 -39.7 10.4 -5.1 17.3 312 311 A P T 4 - 0 0 0 0, 0.0 -2,-0.3 0, 0.0 2,-0.2 0.423 49.2-149.3 -91.0 138.3 11.7 -7.8 16.5 313 312 A A < - 0 0 0 -4,-1.2 2,-0.4 -240,-0.1 -74,-0.1 -0.489 11.3-168.1 -74.7 139.9 10.8 -10.0 19.4 314 313 A I - 0 0 0 -2,-0.2 39,-2.6 1,-0.1 40,-0.2 -0.977 18.9-167.2-130.2 112.6 13.2 -12.8 20.3 315 314 A F S S- 0 0 44 -45,-2.3 2,-0.2 -2,-0.4 -44,-0.1 0.900 80.2 -41.0 -58.8 -42.1 12.1 -15.6 22.8 316 315 A Y E -U 270 0G 28 -46,-0.7 -46,-2.4 36,-0.1 -1,-0.3 -0.866 57.4-118.4-178.7 155.0 15.9 -16.4 22.8 317 316 A S E > -U 269 0G 0 34,-0.2 4,-3.5 -2,-0.2 5,-0.2 -0.629 31.8-112.0 -96.1 157.7 18.8 -16.8 20.5 318 317 A S H > S+ 0 0 45 -50,-0.9 4,-1.1 -2,-0.2 5,-0.1 0.817 123.5 51.8 -47.9 -39.2 20.9 -20.0 19.8 319 318 A E H > S+ 0 0 48 -51,-0.3 4,-1.5 2,-0.2 3,-0.2 0.934 112.1 43.9 -66.1 -49.2 23.7 -18.1 21.7 320 319 A G H >> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.967 108.3 57.1 -59.6 -53.3 21.5 -17.3 24.6 321 320 A L H 3X S+ 0 0 34 -4,-3.5 4,-2.0 1,-0.3 -1,-0.2 0.828 108.8 47.8 -47.3 -36.4 20.0 -20.8 24.8 322 321 A A H 3X S+ 0 0 62 -4,-1.1 4,-1.7 -3,-0.2 -1,-0.3 0.843 110.7 49.3 -77.0 -34.8 23.5 -22.3 25.2 323 322 A E H X S+ 0 0 57 -4,-1.4 4,-2.9 1,-0.2 3,-0.7 0.895 110.2 54.3 -67.8 -45.8 24.2 -21.9 33.9 328 327 A A H 3X S+ 0 0 0 -4,-2.9 4,-4.1 1,-0.2 -1,-0.2 0.926 103.5 54.9 -51.8 -53.1 21.4 -24.4 34.8 329 328 A G H 3X S+ 0 0 16 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.738 112.2 45.5 -58.7 -26.1 23.8 -27.3 34.7 330 329 A E H XX S+ 0 0 69 -4,-0.8 4,-1.7 -3,-0.7 3,-1.5 0.926 112.4 48.4 -76.6 -54.0 26.0 -25.4 37.2 331 330 A F H 3< S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.892 109.4 57.5 -49.0 -40.0 23.0 -24.5 39.3 332 331 A A H 3< S+ 0 0 26 -4,-4.1 -1,-0.3 1,-0.2 -2,-0.2 0.754 111.1 39.5 -61.6 -31.4 22.1 -28.2 39.1 333 332 A K H << S+ 0 0 169 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.527 90.2 110.9 -99.1 -13.3 25.5 -29.3 40.6 334 333 A D < + 0 0 17 -4,-1.7 648,-0.0 -3,-0.4 -4,-0.0 -0.455 18.9 147.1 -62.8 127.9 25.7 -26.6 43.3 335 334 A T + 0 0 131 -2,-0.2 -1,-0.2 0, 0.0 -4,-0.0 0.463 67.1 73.5-120.8 -39.8 25.4 -27.6 46.9 336 335 A E S S- 0 0 174 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.516 105.3-127.5 -52.8 -4.4 27.8 -25.1 48.5 337 336 A G S S+ 0 0 30 2,-0.1 -1,-0.1 -6,-0.1 -6,-0.0 0.753 70.3 129.1 65.1 32.7 24.8 -22.7 47.7 338 337 A K + 0 0 176 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.749 62.2 62.9 -89.1 -33.1 26.9 -20.1 45.7 339 338 A I S S- 0 0 34 -9,-0.1 -1,-0.1 -8,-0.1 -2,-0.1 -0.902 84.6-153.0 -92.4 113.4 24.5 -20.1 42.7 340 339 A H >> - 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0 0 80 -2,-0.4 3,-1.7 1,-0.1 4,-0.5 0.996 64.1-173.8 59.2 72.2 12.8 22.9 47.6 1147 494 B I T >> S+ 0 0 38 1,-0.3 4,-2.4 -3,-0.3 3,-0.5 0.697 76.2 79.1 -66.5 -21.8 12.6 21.1 51.0 1148 495 B E H 3> S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.728 88.9 58.3 -59.8 -21.5 10.3 23.9 52.1 1149 496 B D H <> S+ 0 0 19 -3,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.868 107.2 43.7 -76.7 -37.6 7.7 22.0 50.2 1150 497 B F H <> S+ 0 0 0 -3,-0.5 4,-2.4 -4,-0.5 5,-0.2 0.920 110.1 54.3 -68.4 -47.7 8.2 18.8 52.2 1151 498 B R H X S+ 0 0 75 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.835 106.4 55.2 -57.4 -34.8 8.3 20.6 55.6 1152 499 B S H X S+ 0 0 17 -4,-1.0 4,-2.2 -5,-0.2 -1,-0.2 0.948 108.6 45.0 -64.4 -49.1 5.0 22.2 54.7 1153 500 B V H X S+ 0 0 0 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.900 119.0 44.1 -61.1 -39.2 3.2 18.9 54.1 1154 501 B I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.846 107.9 56.5 -78.1 -37.2 4.8 17.5 57.3 1155 502 B N H X S+ 0 0 39 -4,-3.3 4,-2.0 -5,-0.2 5,-0.3 0.950 103.9 56.5 -55.3 -43.8 4.1 20.6 59.4 1156 503 B A H X S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.3 -2,-0.2 0.879 102.8 54.7 -57.8 -42.5 0.4 20.0 58.4 1157 504 B R H >X S+ 0 0 0 -4,-1.3 4,-0.7 1,-0.2 3,-0.7 0.948 108.7 48.3 -48.0 -54.5 0.6 16.5 59.9 1158 505 B Y H 3< S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.809 106.8 52.8 -70.5 -30.8 1.8 18.0 63.2 1159 506 B R H 3< S+ 0 0 14 -4,-2.0 110,-1.8 1,-0.2 4,-0.3 0.742 114.8 45.6 -68.3 -22.9 -0.8 20.7 63.5 1160 507 B L H S+ 0 0 4 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.875 117.0 37.7 -59.8 -37.0 -3.9 16.7 68.4 1163 510 B Y H > S+ 0 0 0 104,-0.3 4,-2.7 -3,-0.3 -2,-0.2 0.932 114.9 50.7 -80.2 -48.2 -7.2 16.2 66.4 1164 511 B L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -3,-0.2 0.804 113.7 47.6 -57.8 -35.6 -6.3 13.0 64.5 1165 512 B Y H X S+ 0 0 1 -4,-1.8 4,-3.5 -5,-0.3 5,-0.3 0.910 109.4 52.9 -69.4 -45.8 -5.3 11.4 67.8 1166 513 B S H X S+ 0 0 0 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.916 113.2 44.3 -58.7 -40.2 -8.4 12.6 69.4 1167 514 B E H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.844 114.6 48.2 -72.3 -33.7 -10.4 11.0 66.7 1168 515 B Y H X S+ 0 0 2 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.931 114.3 45.6 -70.2 -45.0 -8.4 7.8 66.7 1169 516 B M H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 5,-0.3 0.983 115.1 46.6 -63.7 -54.4 -8.6 7.5 70.4 1170 517 B K H X S+ 0 0 34 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.902 113.2 51.0 -49.1 -47.7 -12.3 8.2 70.5 1171 518 B A H <>S+ 0 0 9 -4,-2.2 5,-2.7 -5,-0.2 4,-0.3 0.951 112.8 44.2 -59.2 -47.5 -12.9 5.8 67.7 1172 519 B A H ><5S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 -360,-0.4 0.882 111.8 51.2 -66.4 -42.1 -11.0 2.9 69.3 1173 520 B L H 3<5S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 117.5 40.5 -66.1 -34.7 -12.5 3.3 72.7 1174 521 B N T 3<5S- 0 0 113 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.299 108.5-119.6 -99.4 9.2 -16.0 3.3 71.3 1175 522 B D T < 5S+ 0 0 35 -3,-1.0 -3,-0.2 -4,-0.3 2,-0.2 0.919 71.8 129.0 51.8 46.9 -15.5 0.6 68.7 1176 523 B D < - 0 0 28 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.532 60.8 -79.3-117.4-172.3 -16.3 3.1 65.9 1177 524 B M - 0 0 2 -2,-0.2 25,-0.4 1,-0.2 3,-0.1 -0.821 18.8-170.4-106.2 129.1 -14.7 4.2 62.6 1178 525 B Y S S+ 0 0 1 -2,-0.5 24,-2.1 1,-0.2 2,-0.3 0.948 89.7 30.8 -72.4 -52.4 -11.8 6.6 62.1 1179 526 B F E S-G 1201 0X 1 22,-0.2 22,-0.2 -86,-0.2 -1,-0.2 -0.847 74.3-179.1-103.2 146.5 -12.4 6.5 58.3 1180 527 B K E -G 1200 0X 6 20,-2.2 20,-2.9 -2,-0.3 -85,-0.1 -0.992 28.8-117.5-139.0 144.3 -15.8 6.1 56.8 1181 528 B P >> - 0 0 4 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.302 41.4-103.9 -66.2 164.5 -17.0 5.9 53.1 1182 529 B L H >> S+ 0 0 1 13,-0.4 4,-2.7 16,-0.4 3,-1.1 0.861 116.8 67.5 -62.5 -26.5 -19.4 8.7 52.2 1183 530 B G H 34 S+ 0 0 12 9,-0.3 -1,-0.2 10,-0.3 -384,-0.2 0.442 92.5 58.6 -78.4 -0.9 -22.3 6.4 52.4 1184 531 B F H <4 S+ 0 0 12 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.690 116.3 32.1 -89.6 -26.5 -22.1 5.8 56.1 1185 532 B V H << S+ 0 0 36 -3,-1.1 -2,-0.2 -4,-0.6 3,-0.1 0.753 131.8 31.7-105.9 -35.6 -22.5 9.5 57.0 1186 533 B Y S >< S+ 0 0 27 -4,-2.7 3,-1.9 1,-0.1 7,-0.3 -0.336 72.0 155.6-119.6 54.5 -24.8 10.6 54.2 1187 534 B P T 3 + 0 0 63 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.701 69.1 53.5 -55.6 -32.5 -26.8 7.3 53.6 1188 535 B D T 3 S+ 0 0 168 -3,-0.1 2,-0.6 4,-0.0 -5,-0.1 0.284 86.8 90.7 -90.3 10.4 -29.9 8.9 52.0 1189 536 B D <> - 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