==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-APR-10 3MGK . COMPND 2 MOLECULE: INTRACELLULAR PROTEASE/AMIDASE RELATED ENZYME . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR Y.PATSKOVSKY,R.TORO,J.FREEMAN,M.IIZUKA,J.M.SAUDER, . 400 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.5 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 43 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 3 0 2 0 0 0 4 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 0 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 2 A S 0 0 100 0, 0.0 62,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -74.6 62.3 102.5 -13.3 2 3 A Y E -ab 31 63A 30 28,-2.4 30,-2.4 60,-0.1 2,-0.5 -0.969 360.0-148.5-130.2 141.5 62.1 102.4 -9.5 3 4 A R E -ab 32 64A 9 60,-2.5 62,-2.5 -2,-0.4 2,-0.6 -0.938 20.7-149.7-100.0 125.6 64.3 101.5 -6.6 4 5 A I E -ab 33 65A 0 28,-2.8 30,-2.4 -2,-0.5 2,-1.0 -0.858 3.2-154.5 -96.7 120.7 62.2 100.2 -3.7 5 6 A D E -ab 34 66A 0 60,-3.6 62,-2.7 -2,-0.6 2,-0.8 -0.844 8.8-164.1 -99.2 100.9 63.8 101.0 -0.4 6 7 A V E -ab 35 67A 2 28,-2.1 30,-2.3 -2,-1.0 2,-0.7 -0.797 11.8-146.7 -90.4 110.9 62.5 98.3 2.0 7 8 A L E -a 36 0A 0 60,-2.4 2,-0.3 -2,-0.8 30,-0.2 -0.670 16.3-171.1 -89.6 112.7 63.2 99.6 5.5 8 9 A L + 0 0 0 28,-2.8 30,-0.4 -2,-0.7 2,-0.3 -0.723 9.1 168.6 -99.9 152.4 64.0 96.9 8.0 9 10 A F > - 0 0 5 -2,-0.3 3,-1.4 28,-0.1 64,-0.1 -0.949 48.6 -61.4-152.7 164.2 64.4 97.3 11.8 10 11 A N T 3 S+ 0 0 93 -2,-0.3 35,-0.2 1,-0.3 67,-0.1 -0.206 118.5 8.8 -57.9 132.0 64.6 95.0 14.7 11 12 A K T 3 S+ 0 0 93 33,-2.9 62,-2.3 1,-0.1 63,-0.3 0.815 82.3 166.7 58.6 39.7 61.5 92.9 15.2 12 13 A F < - 0 0 0 -3,-1.4 34,-2.5 32,-0.5 2,-0.5 -0.296 47.3 -98.2 -64.2 159.7 59.8 93.7 11.9 13 14 A E > - 0 0 22 57,-1.9 4,-1.3 32,-0.2 5,-0.2 -0.767 29.2-141.1 -84.9 123.0 56.8 91.4 11.0 14 15 A T H >> S+ 0 0 0 -2,-0.5 4,-3.3 1,-0.2 3,-0.7 0.939 98.0 43.5 -50.2 -54.4 58.1 88.8 8.5 15 16 A L H 3> S+ 0 0 2 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.808 102.7 66.5 -71.4 -26.6 55.0 88.7 6.2 16 17 A D H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.897 117.2 28.9 -51.8 -40.3 54.6 92.5 6.3 17 18 A V H S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.875 112.4 59.2 -62.0 -35.8 55.1 92.4 -0.9 21 22 A V H X S+ 0 0 2 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.909 101.2 55.9 -61.6 -37.3 58.7 91.5 -1.7 22 23 A E H < S+ 0 0 0 -4,-1.7 4,-0.3 -3,-0.3 -1,-0.2 0.935 112.5 43.7 -58.0 -45.8 57.3 88.3 -3.4 23 24 A I H >< S+ 0 0 0 -4,-1.4 3,-2.0 2,-0.2 -2,-0.2 0.996 119.4 38.1 -62.1 -67.0 55.2 90.6 -5.6 24 25 A F H >< S+ 0 0 2 -4,-2.5 3,-2.5 1,-0.3 7,-0.3 0.865 111.3 60.3 -48.8 -43.9 57.8 93.4 -6.4 25 26 A G T 3< S+ 0 0 3 -4,-3.0 3,-0.3 -5,-0.4 -1,-0.3 0.576 95.2 64.7 -70.0 -6.1 60.6 90.9 -6.8 26 27 A N T < S+ 0 0 53 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.379 98.0 55.8 -92.9 2.6 58.5 89.3 -9.5 27 28 A L X> + 0 0 17 -3,-2.5 4,-2.3 1,-0.1 3,-1.4 -0.531 62.4 157.5-127.1 63.0 58.9 92.5 -11.6 28 29 A Q T 34 + 0 0 93 -3,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.539 69.7 58.9 -75.8 -4.2 62.7 92.8 -11.7 29 30 A D T 34 S+ 0 0 160 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.638 114.9 36.3 -90.0 -18.3 62.6 94.9 -14.9 30 31 A D T <4 S+ 0 0 36 -3,-1.4 -28,-2.4 1,-0.2 2,-0.4 0.786 121.6 34.5-100.0 -37.4 60.5 97.6 -13.2 31 32 A F E < -a 2 0A 8 -4,-2.3 2,-0.5 -7,-0.3 -1,-0.2 -0.957 57.7-154.1-126.1 141.5 61.8 97.6 -9.6 32 33 A E E -a 3 0A 110 -30,-2.4 -28,-2.8 -2,-0.4 2,-0.4 -0.958 26.0-134.6-106.4 126.4 65.1 97.1 -8.0 33 34 A L E -a 4 0A 28 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.669 23.6-178.3 -81.9 132.4 64.8 95.8 -4.4 34 35 A N E -a 5 0A 21 -30,-2.4 -28,-2.1 -2,-0.4 2,-0.6 -0.899 11.5-158.7-135.8 107.3 67.0 97.5 -1.9 35 36 A F E +a 6 0A 16 -2,-0.4 19,-2.7 -30,-0.2 2,-0.3 -0.730 24.9 171.3 -86.1 119.1 66.9 96.3 1.7 36 37 A I E +ac 7 54A 0 -30,-2.3 -28,-2.8 -2,-0.6 2,-0.3 -0.838 16.7 176.4-126.1 162.2 68.1 99.0 4.1 37 38 A S - 0 0 5 17,-1.6 19,-0.5 -2,-0.3 -28,-0.1 -0.917 45.5 -99.4-149.9-180.0 68.3 99.7 7.7 38 39 A S S S+ 0 0 54 -30,-0.4 18,-0.1 -2,-0.3 -1,-0.1 0.944 122.1 23.9 -70.4 -41.3 69.8 102.4 9.9 39 40 A D S S- 0 0 145 1,-0.2 16,-0.2 16,-0.1 -1,-0.1 0.808 102.1-138.9 -89.6 -34.6 72.9 100.4 10.8 40 41 A G + 0 0 17 14,-0.2 14,-0.3 1,-0.2 -1,-0.2 -0.414 60.2 72.6 93.6-178.0 73.1 98.1 7.8 41 42 A G E S-G 53 0B 31 12,-2.2 12,-1.1 -2,-0.1 2,-0.2 -0.251 95.2 -0.7 65.7-161.1 74.1 94.4 8.0 42 43 A L E -G 52 0B 57 10,-0.2 2,-0.4 -3,-0.1 10,-0.2 -0.409 59.6-171.3 -70.2 128.0 71.8 91.7 9.4 43 44 A V E -G 51 0B 12 8,-3.0 8,-2.1 -2,-0.2 2,-0.4 -0.964 15.0-139.5-117.5 134.2 68.3 92.7 10.8 44 45 A E E -G 50 0B 51 -2,-0.4 -33,-2.9 6,-0.2 -32,-0.5 -0.791 7.6-143.6-101.5 134.6 66.2 90.2 12.7 45 46 A S > - 0 0 2 4,-2.5 3,-1.8 -2,-0.4 -32,-0.2 -0.316 32.5-104.9 -79.6 167.0 62.4 89.8 12.4 46 47 A S T 3 S+ 0 0 15 -34,-2.5 -33,-0.1 1,-0.3 -1,-0.1 0.678 124.1 54.4 -67.2 -22.1 60.1 88.9 15.2 47 48 A Q T 3 S- 0 0 1 -35,-0.4 -1,-0.3 2,-0.1 -34,-0.1 0.236 125.9-101.7 -95.4 11.5 59.9 85.5 13.9 48 49 A K < + 0 0 104 -3,-1.8 2,-0.5 1,-0.3 -2,-0.1 0.706 69.9 146.7 79.5 20.9 63.7 85.1 13.9 49 50 A V - 0 0 0 204,-0.0 -4,-2.5 2,-0.0 2,-0.5 -0.809 34.5-154.1 -89.1 128.3 64.6 85.7 10.3 50 51 A R E -G 44 0B 81 -2,-0.5 204,-2.3 204,-0.3 2,-0.3 -0.911 17.7-178.6-105.7 122.1 67.9 87.5 9.8 51 52 A V E -GH 43 253B 0 -8,-2.1 -8,-3.0 -2,-0.5 2,-0.3 -0.887 25.9-115.6-126.1 146.8 68.0 89.3 6.6 52 53 A E E +G 42 0B 72 200,-2.2 200,-0.3 -2,-0.3 2,-0.3 -0.666 35.2 177.4 -92.2 139.8 70.9 91.3 5.2 53 54 A T E -G 41 0B 8 -12,-1.1 -12,-2.2 -2,-0.3 -17,-0.3 -0.911 15.5-150.6-133.5 161.1 70.6 95.0 4.6 54 55 A S B -c 36 0A 55 -19,-2.7 -17,-1.6 -2,-0.3 -14,-0.2 -0.687 35.6 -85.4-118.1 175.6 72.7 97.9 3.5 55 56 A L - 0 0 93 -2,-0.2 -17,-0.1 -19,-0.2 2,-0.1 -0.538 50.8 -97.4 -78.9 151.5 72.8 101.6 4.3 56 57 A Y - 0 0 49 -19,-0.5 2,-0.4 -2,-0.2 -1,-0.1 -0.434 45.2-165.9 -64.7 140.2 70.5 104.0 2.5 57 58 A T - 0 0 79 -2,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.999 17.3-118.8-136.4 138.0 72.3 105.7 -0.3 58 59 A R + 0 0 177 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.406 34.4 164.2 -71.3 139.6 71.3 108.7 -2.4 59 60 A D - 0 0 58 3,-0.2 5,-0.0 -2,-0.1 -2,-0.0 -0.952 20.6-172.2-147.6 143.2 70.9 108.5 -6.2 60 61 A E S S+ 0 0 153 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 0.350 77.0 77.1-117.3 5.6 69.2 111.0 -8.4 61 62 A N S S+ 0 0 160 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.552 98.5 45.6 -86.0 -8.9 69.3 108.9 -11.6 62 63 A I S S- 0 0 33 -59,-0.0 -3,-0.2 -60,-0.0 -60,-0.1 -0.997 80.1-119.7-140.4 140.1 66.3 106.8 -10.3 63 64 A E E -b 2 0A 96 -62,-0.9 -60,-2.5 -2,-0.3 2,-0.3 -0.421 35.2-140.4 -74.4 148.8 62.9 107.4 -8.7 64 65 A K E -b 3 0A 14 29,-0.3 31,-2.8 -62,-0.2 32,-1.1 -0.795 15.8-158.9-119.4 152.8 62.4 105.8 -5.3 65 66 A I E -bd 4 96A 0 -62,-2.5 -60,-3.6 -2,-0.3 2,-0.6 -1.000 16.1-148.5-125.4 125.3 59.7 104.0 -3.4 66 67 A L E -bd 5 97A 0 30,-2.7 32,-3.0 -2,-0.4 2,-0.5 -0.895 13.9-166.8 -99.3 122.4 59.9 103.9 0.4 67 68 A F E -bd 6 98A 1 -62,-2.7 -60,-2.4 -2,-0.6 32,-0.2 -0.932 3.9-172.8-113.6 124.7 58.4 100.8 2.0 68 69 A V E - d 0 99A 0 30,-3.2 32,-1.9 -2,-0.5 35,-0.1 -0.915 4.1-162.2-126.8 112.6 57.7 100.6 5.7 69 70 A P - 0 0 0 0, 0.0 32,-0.1 0, 0.0 2,-0.1 -0.318 10.3-135.5 -84.5 169.8 56.6 97.4 7.5 70 71 A G + 0 0 0 32,-0.1 -57,-1.9 -57,-0.1 2,-0.1 -0.061 38.1 130.3 -98.3-154.1 55.0 97.0 11.0 71 72 A G S > S- 0 0 6 -59,-0.3 3,-2.8 1,-0.1 4,-0.3 -0.346 75.3 -65.4 118.6 157.3 55.8 94.5 13.7 72 73 A S T >> S+ 0 0 53 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.799 122.9 74.5 -35.3 -44.8 56.5 94.7 17.5 73 74 A G H 3> S+ 0 0 7 -62,-2.3 4,-2.2 1,-0.3 -1,-0.3 0.730 81.5 70.6 -51.1 -23.6 59.6 96.6 16.7 74 75 A T H <> S+ 0 0 0 -3,-2.8 4,-2.4 -63,-0.3 -1,-0.3 0.843 86.1 65.3 -68.1 -28.6 57.5 99.6 15.9 75 76 A R H <4 S+ 0 0 102 -3,-1.9 4,-0.4 -4,-0.3 3,-0.3 0.968 113.1 31.8 -61.7 -48.9 56.5 100.2 19.5 76 77 A E H >< S+ 0 0 158 -4,-0.6 3,-1.3 1,-0.2 4,-0.4 0.900 116.8 59.8 -68.5 -38.6 60.1 101.0 20.5 77 78 A K H >< S+ 0 0 45 -4,-2.2 3,-0.9 1,-0.3 7,-0.3 0.727 86.8 70.9 -68.7 -24.0 60.9 102.5 17.1 78 79 A V T 3< S+ 0 0 9 -4,-2.4 -1,-0.3 -3,-0.3 -2,-0.1 0.856 97.0 58.1 -58.6 -28.4 58.2 105.3 17.3 79 80 A N T < S+ 0 0 111 -3,-1.3 2,-1.7 -4,-0.4 -1,-0.2 0.709 74.8 102.4 -70.2 -26.7 60.5 106.8 20.0 80 81 A D <> - 0 0 55 -3,-0.9 4,-3.0 -4,-0.4 5,-0.4 -0.427 50.8-170.4 -71.3 91.2 63.7 107.1 17.9 81 82 A D H > S+ 0 0 131 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.883 90.6 48.0 -41.7 -44.6 63.7 110.8 17.1 82 83 A N H > S+ 0 0 128 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.966 109.3 50.4 -64.7 -52.6 66.5 110.0 14.7 83 84 A F H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.957 113.1 47.0 -48.6 -57.7 64.8 107.0 13.1 84 85 A I H X S+ 0 0 13 -4,-3.0 4,-2.9 -7,-0.3 -1,-0.2 0.895 113.5 47.6 -53.5 -41.3 61.7 109.1 12.5 85 86 A N H X S+ 0 0 108 -4,-2.4 4,-2.9 -5,-0.4 -1,-0.2 0.865 109.5 54.9 -71.7 -32.7 63.8 112.0 11.1 86 87 A F H X S+ 0 0 45 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.948 110.0 45.9 -54.9 -54.8 65.6 109.4 9.0 87 88 A I H X S+ 0 0 0 -4,-2.9 4,-4.0 2,-0.2 5,-0.2 0.970 112.5 49.8 -55.8 -58.1 62.2 108.3 7.6 88 89 A G H X S+ 0 0 16 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.913 110.1 51.7 -45.6 -49.6 61.0 111.8 7.0 89 90 A N H X S+ 0 0 88 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.941 113.7 43.9 -54.4 -47.6 64.3 112.5 5.2 90 91 A M H >X S+ 0 0 3 -4,-2.7 3,-1.1 2,-0.2 4,-0.5 0.932 112.6 51.9 -65.3 -44.7 63.7 109.5 3.1 91 92 A V H >< S+ 0 0 12 -4,-4.0 3,-2.1 1,-0.3 -2,-0.2 0.946 102.2 59.3 -55.8 -49.8 60.0 110.3 2.5 92 93 A K H 3< S+ 0 0 164 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.796 111.9 43.6 -46.7 -27.9 60.9 113.8 1.4 93 94 A E H << S+ 0 0 66 -3,-1.1 -29,-0.3 -4,-0.7 -1,-0.3 0.460 96.8 92.1-102.4 -2.6 62.9 112.1 -1.3 94 95 A S << - 0 0 16 -3,-2.1 -29,-0.2 -4,-0.5 3,-0.1 -0.594 60.1-148.2-100.7 156.0 60.6 109.3 -2.5 95 96 A K S S+ 0 0 76 -31,-2.8 2,-0.3 1,-0.2 -30,-0.2 0.704 89.2 21.6 -87.4 -25.5 58.0 109.2 -5.3 96 97 A Y E -d 65 0A 40 -32,-1.1 -30,-2.7 2,-0.0 2,-0.4 -0.991 63.9-154.9-142.5 150.6 55.8 106.8 -3.4 97 98 A I E -de 66 149A 2 51,-2.4 53,-3.1 -2,-0.3 2,-0.4 -0.996 16.6-179.6-127.8 128.6 55.4 105.8 0.2 98 99 A I E +de 67 150A 0 -32,-3.0 -30,-3.2 -2,-0.4 2,-0.3 -0.987 2.5 177.2-131.5 138.9 54.0 102.5 1.2 99 100 A S E -de 68 151A 0 51,-2.1 53,-0.9 -2,-0.4 2,-0.4 -0.953 12.2-159.7-137.2 153.9 53.3 100.9 4.6 100 101 A V > - 0 0 0 -32,-1.9 3,-1.9 -2,-0.3 53,-0.2 -0.985 63.1 -27.8-128.3 141.9 51.9 97.7 5.9 101 102 A C T > S- 0 0 16 52,-1.6 3,-1.6 -2,-0.4 51,-0.2 -0.144 132.1 -5.9 60.1-142.5 50.4 97.2 9.4 102 103 A T T >> S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 4,-0.9 0.507 107.9 99.0 -67.5 -3.3 52.0 99.5 12.2 103 104 A G H <> S+ 0 0 0 -3,-1.9 4,-1.8 1,-0.3 3,-0.4 0.804 77.3 60.8 -45.3 -28.2 54.4 100.7 9.6 104 105 A S H <> S+ 0 0 0 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.727 89.8 66.1 -83.4 -15.6 51.9 103.6 9.4 105 106 A A H <> S+ 0 0 0 -3,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.831 107.7 43.2 -61.2 -33.5 52.5 104.5 13.1 106 107 A L H X S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.4 -2,-0.2 0.861 112.5 49.7 -82.1 -41.5 56.0 105.4 11.9 107 108 A L H <>S+ 0 0 0 -4,-1.8 5,-1.6 2,-0.2 6,-0.4 0.896 113.1 49.8 -61.0 -39.3 54.9 107.2 8.8 108 109 A S H ><5S+ 0 0 4 -4,-2.2 3,-4.2 1,-0.2 5,-0.3 0.947 103.5 57.2 -63.8 -51.4 52.5 109.1 11.0 109 110 A K H 3<5S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.853 102.0 56.6 -50.9 -38.6 55.2 110.0 13.5 110 111 A A T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.464 115.1-125.7 -69.6 -0.5 57.1 111.6 10.6 111 112 A G T X 5S+ 0 0 26 -3,-4.2 3,-1.3 1,-0.1 -3,-0.2 0.560 75.2 128.6 67.8 7.5 53.8 113.6 10.3 112 113 A I T 3 < + 0 0 45 -5,-1.6 -4,-0.2 1,-0.3 -1,-0.1 0.718 68.4 54.4 -64.9 -20.4 53.7 112.5 6.7 113 114 A L T > S+ 0 0 0 -6,-0.4 3,-2.9 -5,-0.3 23,-0.5 0.502 73.6 129.2 -95.6 -6.1 50.1 111.3 7.2 114 115 A N T < S+ 0 0 78 -3,-1.3 21,-0.2 1,-0.3 3,-0.1 -0.317 86.0 4.3 -56.1 114.6 48.8 114.6 8.5 115 116 A G T 3 S+ 0 0 48 19,-1.8 -1,-0.3 1,-0.3 2,-0.3 0.341 110.9 113.8 94.5 -5.5 45.7 115.4 6.5 116 117 A K S < S- 0 0 81 -3,-2.9 20,-2.0 18,-0.1 2,-0.3 -0.685 70.9-116.2-104.2 152.2 45.8 112.2 4.6 117 118 A R E +j 136 0C 109 -2,-0.3 2,-0.3 18,-0.1 20,-0.2 -0.658 52.1 149.0 -79.1 137.1 43.5 109.1 4.6 118 119 A A E -j 137 0C 0 18,-1.4 20,-3.1 -2,-0.3 2,-0.3 -0.967 26.2-160.7-161.5 166.1 45.4 106.1 5.9 119 120 A T - 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0 0 33 -20,-2.7 -18,-0.4 1,-0.1 -1,-0.1 -0.984 8.8-170.3-123.0 120.5 47.1 64.7 -7.0 341 140 B K S S+ 0 0 82 -2,-0.5 -19,-0.1 1,-0.2 -1,-0.1 0.884 76.6 38.9 -79.8 -42.3 46.4 67.4 -9.5 342 141 B E S S+ 0 0 111 52,-0.0 53,-1.8 -21,-0.0 56,-0.2 0.678 86.1 109.0 -90.3 -20.9 43.5 69.5 -8.1 343 142 B A - 0 0 3 51,-0.2 50,-0.3 1,-0.1 -21,-0.2 -0.204 58.9-148.4 -63.5 145.1 44.3 69.6 -4.4 344 143 B R S S- 0 0 10 48,-2.1 11,-2.0 1,-0.4 2,-0.3 0.910 88.1 -11.0 -73.4 -42.1 45.5 72.8 -2.7 345 144 B W E -P 354 0D 21 47,-1.7 2,-0.4 9,-0.2 -1,-0.4 -0.991 65.1-143.6-153.4 159.1 47.5 70.5 -0.5 346 145 B V E -P 353 0D 3 7,-2.8 7,-2.4 -2,-0.3 2,-0.4 -0.989 3.1-160.6-129.7 128.1 47.8 66.8 0.4 347 146 B K E +P 352 0D 103 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.904 14.6 171.0 -99.7 131.8 48.4 65.0 3.8 348 147 B D E > -P 351 0D 41 3,-2.6 3,-1.0 -2,-0.4 2,-0.5 -0.722 66.2 -56.2-143.0 90.6 49.7 61.4 3.6 349 148 B G T 3 S- 0 0 47 -2,-0.3 -1,-0.0 1,-0.2 -51,-0.0 -0.669 122.8 -16.2 73.3-123.2 50.8 60.2 7.0 350 149 B N T 3 S+ 0 0 66 -2,-0.5 -51,-2.2 -3,-0.1 2,-0.5 0.224 118.8 100.3 -95.9 12.5 53.4 62.6 8.3 351 150 B I E < -oP 299 348D 2 -3,-1.0 -3,-2.6 -53,-0.2 2,-0.5 -0.885 47.4-177.6-107.4 124.0 53.9 64.1 4.8 352 151 B Y E +oP 300 347D 4 -53,-3.2 -51,-2.1 -2,-0.5 2,-0.4 -0.973 4.7 176.0-122.1 118.3 52.3 67.4 3.8 353 152 B T E -oP 301 346D 0 -7,-2.4 -7,-2.8 -2,-0.5 2,-0.3 -0.934 6.3-173.2-120.2 145.1 52.8 68.8 0.3 354 153 B S E - P 0 345D 0 -53,-1.6 -51,-0.5 -2,-0.4 -9,-0.2 -0.842 18.1-130.1-133.3 173.5 51.2 71.9 -1.2 355 154 B S - 0 0 0 -11,-2.0 -52,-1.7 -2,-0.3 -32,-0.5 0.675 65.1 -9.6 -90.4-116.8 50.7 73.9 -4.4 356 155 B G S > S- 0 0 2 -34,-0.2 4,-2.1 -54,-0.1 -53,-0.2 0.048 86.3 -75.9 -81.5-165.4 51.3 77.6 -4.9 357 156 B V H > S+ 0 0 3 -175,-2.1 4,-1.9 1,-0.2 -173,-0.2 0.871 128.7 48.0 -67.5 -39.8 52.0 80.3 -2.4 358 157 B S H > S+ 0 0 6 -175,-1.7 4,-2.6 -176,-0.2 -1,-0.2 0.954 113.8 48.4 -62.5 -48.0 48.4 80.7 -1.0 359 158 B A H > S+ 0 0 3 -176,-0.5 4,-2.9 1,-0.2 -2,-0.2 0.845 107.2 57.1 -58.6 -36.9 48.1 76.9 -0.7 360 159 B G H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.924 111.4 41.2 -64.1 -44.9 51.4 76.8 1.1 361 160 B I H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.918 116.4 48.7 -67.0 -44.3 50.3 79.2 3.8 362 161 B D H X S+ 0 0 4 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.883 110.4 52.7 -62.4 -39.1 46.9 77.6 4.1 363 162 B M H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.945 106.2 53.8 -58.3 -48.7 48.5 74.2 4.4 364 163 B T H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -2,-0.2 0.927 108.1 48.4 -55.1 -46.0 50.7 75.4 7.2 365 164 B L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.865 111.2 52.4 -62.4 -32.5 47.7 76.6 9.1 366 165 B G H X S+ 0 0 6 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.872 107.5 51.6 -65.7 -38.0 46.2 73.1 8.4 367 166 B F H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.908 109.7 49.3 -67.5 -43.2 49.3 71.5 9.8 368 167 B I H X>S+ 0 0 0 -4,-2.5 4,-3.7 2,-0.2 5,-1.5 0.870 108.3 53.6 -59.4 -41.2 49.0 73.6 12.9 369 168 B E H X5S+ 0 0 63 -4,-1.9 4,-0.9 3,-0.2 5,-0.3 0.968 112.9 44.6 -58.6 -50.2 45.4 72.6 13.2 370 169 B D H <5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 126.4 29.7 -58.9 -36.6 46.5 69.0 13.0 371 170 B L H <5S+ 0 0 35 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.828 136.1 19.5-100.8 -37.9 49.3 69.3 15.4 372 171 B I H <5S- 0 0 42 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.625 113.7 -94.9-110.0 -21.1 48.4 72.1 17.8 373 172 B G >X< - 0 0 19 -5,-1.5 4,-1.5 -4,-0.9 3,-1.1 0.044 29.8 -94.6 109.3 141.8 44.6 72.2 17.4 374 173 B K H 3> S+ 0 0 66 -5,-0.3 4,-2.5 1,-0.3 5,-0.2 0.762 118.1 65.1 -64.6 -27.2 42.4 74.4 15.3 375 174 B E H 3> S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.901 104.7 47.5 -58.7 -41.3 41.7 76.9 18.0 376 175 B K H <> S+ 0 0 69 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.927 109.0 51.9 -65.1 -45.9 45.4 77.8 17.8 377 176 B A H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.945 111.9 47.4 -59.5 -44.9 45.5 78.1 14.0 378 177 B L H X S+ 0 0 50 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.859 107.9 55.6 -61.9 -37.6 42.5 80.5 14.1 379 178 B E H X S+ 0 0 90 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.938 109.9 46.2 -62.9 -43.1 44.1 82.5 16.8 380 179 B I H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.965 112.0 50.6 -63.7 -49.2 47.2 83.0 14.6 381 180 B S H X>S+ 0 0 6 -4,-2.7 5,-2.4 1,-0.2 4,-1.0 0.916 113.8 45.1 -50.3 -51.8 45.1 83.8 11.5 382 181 B R H <5S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.8 51.2 -64.3 -40.9 43.1 86.4 13.4 383 182 B S H <5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 117.3 36.1 -73.1 -32.7 46.1 88.0 15.1 384 183 B I H <5S- 0 0 15 -4,-2.1 -229,-2.1 -5,-0.2 -1,-0.2 0.560 110.4-121.5 -92.2 -7.9 48.2 88.6 12.0 385 184 B E T <5 + 0 0 2 -4,-1.0 -229,-1.8 -5,-0.3 -228,-0.5 0.944 55.8 155.8 63.5 50.3 45.1 89.3 9.9 386 185 B Y < - 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