==== 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 27-MAR-07 2ELD . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 7 0 0 0 3 3 2 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 . 5 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 110 0, 0.0 106,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 78.8 56.0 97.2 56.6 2 2 A V E -ab 79 107A 22 76,-1.0 78,-3.3 104,-0.1 2,-0.5 -0.969 360.0-137.9-141.5 154.4 52.8 97.9 58.4 3 3 A L E -ab 80 108A 0 104,-2.7 106,-2.6 -2,-0.3 2,-0.5 -0.961 16.6-163.3-116.0 125.1 50.0 96.1 60.2 4 4 A Y E -ab 81 109A 33 76,-3.2 78,-3.3 -2,-0.5 2,-0.7 -0.921 9.7-155.3-109.9 125.5 46.3 97.1 59.7 5 5 A F E -ab 82 110A 0 104,-3.2 106,-3.3 -2,-0.5 2,-0.5 -0.894 25.5-174.4 -95.7 114.9 43.6 95.9 62.1 6 6 A I E -ab 83 111A 0 76,-2.8 78,-1.6 -2,-0.7 2,-0.2 -0.944 16.9-144.1-121.3 121.2 40.5 96.1 59.9 7 7 A G E -a 84 0A 0 104,-2.6 10,-0.5 -2,-0.5 80,-0.2 -0.529 3.4-161.0 -79.9 145.0 36.9 95.6 61.0 8 8 A L - 0 0 2 76,-2.7 7,-0.3 78,-0.3 3,-0.2 0.504 38.5-129.5-101.0 -10.2 34.4 93.9 58.7 9 9 A G B -E 86 0B 1 77,-1.6 77,-3.5 75,-0.4 -1,-0.3 -0.397 33.6 -49.8 96.8-171.7 31.3 95.0 60.3 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.1 -1,-0.2 0.864 110.6 -2.2 -77.9 -45.5 28.1 93.4 61.6 11 11 A Y S S+ 0 0 52 1,-0.3 30,-2.2 199,-0.2 31,-0.4 0.809 112.2 8.6-122.3 -51.3 26.5 91.1 59.0 12 12 A D S > S- 0 0 20 29,-0.2 3,-2.2 198,-0.2 -1,-0.3 -0.790 79.0 -87.5-132.6 177.1 28.1 90.8 55.5 13 13 A E G > S+ 0 0 34 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.699 118.3 66.3 -59.7 -19.9 31.2 91.7 53.5 14 14 A R G 3 S+ 0 0 60 1,-0.2 271,-3.0 270,-0.1 272,-0.4 0.496 80.8 78.8 -82.1 -0.3 29.6 95.0 52.5 15 15 A D G < S+ 0 0 2 -3,-2.2 -1,-0.2 -7,-0.3 -2,-0.1 0.466 70.0 104.9 -84.5 0.5 29.7 96.2 56.2 16 16 A I S < S- 0 0 2 -3,-1.0 268,-2.6 97,-0.1 269,-0.3 -0.498 81.2-109.8 -75.8 148.1 33.4 97.0 55.8 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.2 95,-0.4 266,-0.3 -0.396 21.8-114.7 -76.9 162.0 34.1 100.7 55.5 18 18 A V H > S+ 0 0 10 264,-2.7 4,-2.6 262,-0.7 5,-0.2 0.932 120.0 52.7 -59.5 -45.0 35.3 102.1 52.1 19 19 A K H > S+ 0 0 1 261,-2.4 4,-2.3 263,-0.3 5,-0.3 0.937 107.5 52.1 -54.1 -50.2 38.6 103.0 53.8 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.3 92,-0.2 -1,-0.2 0.899 111.1 46.2 -55.5 -45.6 38.9 99.4 55.0 21 21 A L H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.971 111.0 50.5 -62.9 -55.2 38.3 97.9 51.5 22 22 A E H X S+ 0 0 84 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.885 116.4 42.1 -49.5 -46.8 40.7 100.3 49.7 23 23 A I H >< S+ 0 0 19 -4,-2.3 3,-0.5 -5,-0.2 -1,-0.2 0.898 112.4 52.6 -70.8 -41.7 43.5 99.5 52.2 24 24 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.848 103.5 59.3 -63.2 -34.1 42.8 95.8 52.3 25 25 A K H 3< S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.1 45.2 -63.7 -33.2 43.0 95.5 48.5 26 26 A K T << S+ 0 0 164 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.3 0.213 88.1 110.4 -96.9 13.4 46.6 96.9 48.6 27 27 A C < - 0 0 0 -3,-1.3 53,-0.2 1,-0.1 3,-0.1 -0.669 62.8-142.4 -89.1 145.9 47.9 94.7 51.4 28 28 A D S S+ 0 0 85 51,-1.9 2,-0.4 -2,-0.3 52,-0.2 0.892 85.4 23.6 -73.0 -41.0 50.4 92.0 50.6 29 29 A Y E -c 80 0A 108 50,-1.5 52,-2.2 24,-0.1 2,-0.5 -0.970 66.9-160.2-129.1 143.6 49.0 89.5 53.1 30 30 A V E +c 81 0A 8 24,-0.5 26,-2.3 -2,-0.4 2,-0.2 -0.958 12.9 172.5-130.1 116.9 45.6 89.1 54.7 31 31 A F E +cd 82 56A 10 50,-3.0 52,-2.5 -2,-0.5 2,-0.3 -0.688 7.0 175.3-111.4 168.2 44.8 87.3 57.9 32 32 A A E -cd 83 57A 0 24,-1.6 26,-3.5 50,-0.3 2,-0.4 -0.979 21.3-144.3-168.6 158.6 41.5 87.1 59.8 33 33 A E - 0 0 0 50,-2.0 26,-0.1 -2,-0.3 24,-0.0 -0.974 8.9-178.1-130.2 145.2 39.7 85.5 62.7 34 34 A F + 0 0 60 24,-0.5 5,-0.1 -2,-0.4 25,-0.1 -0.067 63.6 87.7-134.0 33.5 36.1 84.6 62.9 35 35 A Y S S+ 0 0 16 23,-0.2 135,-0.4 1,-0.1 3,-0.1 0.637 75.4 65.2-105.3 -19.0 35.8 83.3 66.4 36 36 A T S S- 0 0 14 1,-0.1 2,-0.3 134,-0.0 -1,-0.1 0.647 117.6 -6.8 -79.4 -13.9 35.0 86.5 68.3 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.978 69.7-103.8-166.7 173.4 31.7 87.0 66.5 38 38 A L - 0 0 33 -2,-0.3 2,-1.1 -28,-0.1 3,-0.1 -0.941 12.7-165.9-118.8 119.2 29.3 85.8 63.8 39 39 A M > - 0 0 15 -2,-0.5 3,-1.2 1,-0.2 -28,-0.2 -0.776 15.6-177.7 -98.8 87.7 28.8 87.5 60.5 40 40 A A T 3 + 0 0 40 -2,-1.1 -1,-0.2 -30,-0.4 -28,-0.1 0.608 69.1 58.3 -64.1 -16.2 25.7 85.6 59.5 41 41 A G T 3 S+ 0 0 16 -30,-2.2 2,-0.2 -31,-0.1 -1,-0.2 0.343 104.4 37.8-101.9 9.9 25.2 87.2 56.1 42 42 A T < - 0 0 22 -3,-1.2 2,-0.3 -31,-0.4 -3,-0.1 -0.835 60.8-136.9-145.2-177.7 28.5 86.3 54.3 43 43 A T > - 0 0 76 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.910 35.6-104.5-139.5 165.3 31.2 83.7 53.7 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.930 119.8 56.9 -57.4 -44.9 35.0 83.7 53.5 45 45 A G H > S+ 0 0 38 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.920 106.0 48.0 -51.9 -50.9 34.7 83.3 49.8 46 46 A R H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 112.8 48.8 -60.0 -38.6 32.6 86.5 49.4 47 47 A I H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.930 114.5 45.2 -67.5 -44.9 35.0 88.4 51.5 48 48 A Q H X>S+ 0 0 54 -4,-3.1 4,-2.2 1,-0.2 5,-1.3 0.930 112.8 50.9 -62.4 -45.5 38.0 87.1 49.6 49 49 A K H <5S+ 0 0 187 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.874 111.2 50.8 -59.5 -37.4 36.2 87.8 46.3 50 50 A L H <5S+ 0 0 49 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.921 119.3 32.0 -68.5 -47.3 35.5 91.4 47.5 51 51 A I H <5S- 0 0 7 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.619 104.0-128.5 -86.7 -12.5 39.0 92.3 48.5 52 52 A G T <5 + 0 0 56 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.918 68.9 109.1 66.4 45.4 40.5 90.2 45.8 53 53 A K S - 0 0 41 -2,-0.4 4,-2.2 -26,-0.1 5,-0.2 -0.364 33.5-100.8 -85.0 168.8 42.1 80.2 65.2 60 60 A R H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.872 125.7 49.3 -57.9 -37.3 41.9 81.6 68.8 61 61 A E H >>S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 5,-1.0 0.941 106.5 53.8 -68.3 -47.1 45.0 79.7 69.7 62 62 A D H >5S+ 0 0 43 3,-0.2 4,-1.0 2,-0.2 7,-0.2 0.909 118.8 37.8 -52.1 -43.5 47.0 80.9 66.6 63 63 A V H X5S+ 0 0 2 -4,-2.2 4,-1.4 3,-0.2 5,-0.2 0.985 117.9 43.5 -72.8 -62.7 46.1 84.5 67.6 64 64 A E H <5S+ 0 0 72 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.735 132.5 21.2 -60.0 -24.7 46.4 84.5 71.4 65 65 A L H <5S+ 0 0 107 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.760 134.6 27.8-113.3 -35.7 49.6 82.4 71.4 66 66 A N H >XS+ 0 0 0 -4,-1.4 4,-2.2 1,-0.3 5,-1.6 0.938 84.7 49.9 -57.1 -46.0 50.2 86.2 66.6 68 68 A E H 345S+ 0 0 75 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.569 115.7 44.4 -69.5 -7.7 53.8 87.4 66.9 69 69 A N H <45S+ 0 0 100 -3,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.600 123.2 30.6-109.3 -20.1 55.0 84.2 65.1 70 70 A I H <5S+ 0 0 28 -4,-1.9 4,-0.2 -3,-0.4 -3,-0.2 0.801 132.6 18.8-106.2 -42.0 52.4 84.0 62.3 71 71 A V T >X5S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.4 4,-1.2 0.903 115.4 55.8 -98.5 -55.4 51.4 87.6 61.5 72 72 A L H 3>4 S+ 0 0 59 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.858 106.9 43.6 -52.6 -36.6 57.0 88.5 60.9 74 74 A L H X> S+ 0 0 50 -3,-1.2 4,-2.4 1,-0.2 3,-1.1 0.783 103.3 65.6 -79.1 -27.3 55.4 89.4 57.6 75 75 A A H 3< S+ 0 0 0 -4,-1.2 32,-0.2 -3,-0.4 -1,-0.2 0.564 91.4 65.6 -71.6 -8.1 54.5 92.9 58.8 76 76 A K T << S+ 0 0 88 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.709 119.3 19.6 -86.0 -20.5 58.2 93.7 59.1 77 77 A E T <4 S+ 0 0 158 -3,-1.1 2,-0.2 -4,-0.3 -2,-0.2 0.547 128.3 33.1-122.1 -16.9 58.7 93.4 55.3 78 78 A N S < S- 0 0 42 -4,-2.4 -76,-1.0 -76,-0.0 2,-0.7 -0.709 84.7 -92.8-132.2-178.1 55.2 93.8 53.9 79 79 A D E -a 2 0A 47 -78,-0.3 -51,-1.9 -2,-0.2 -50,-1.5 -0.908 48.9-171.5-100.9 112.7 51.8 95.5 54.4 80 80 A V E -ac 3 29A 0 -78,-3.3 -76,-3.2 -2,-0.7 2,-0.4 -0.861 12.4-158.7-113.4 143.9 49.7 93.1 56.4 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.0 -2,-0.4 2,-0.5 -0.934 3.8-161.3-120.3 141.3 46.0 93.2 57.3 82 82 A F E -ac 5 31A 0 -78,-3.3 -76,-2.8 -2,-0.4 2,-0.3 -0.975 17.1-159.6-121.7 112.5 44.2 91.5 60.2 83 83 A L E +ac 6 32A 0 -52,-2.5 -50,-2.0 -2,-0.5 -76,-0.2 -0.731 14.9 169.5 -97.1 143.7 40.4 91.3 59.6 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-2.7 -2,-0.3 -75,-0.4 -0.968 38.7 -92.8-146.1 158.9 37.8 90.7 62.3 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.285 92.4 -10.2 -67.4 161.2 34.0 90.8 62.6 86 86 A G B S-E 9 0B 1 -77,-3.5 -77,-1.6 -79,-0.1 -78,-0.3 -0.157 129.4 -15.3 49.8-138.9 32.5 94.1 63.8 87 87 A D > - 0 0 0 446,-2.5 3,-1.5 -80,-0.2 25,-0.1 -0.844 68.8-130.7 -95.5 132.1 35.1 96.6 65.1 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.709 101.3 42.2 -56.4 -23.7 38.4 94.9 65.8 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 3,-0.4 0.283 87.5 106.1-110.5 12.7 38.9 96.3 69.3 90 90 A V S < S- 0 0 0 -3,-1.5 3,-0.1 1,-0.2 -3,-0.1 -0.830 98.6 -18.3-100.4 116.9 35.4 96.0 70.8 91 91 A A S S+ 0 0 39 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.914 116.7 97.0 57.5 44.0 34.7 93.3 73.3 92 92 A T S S- 0 0 25 -3,-0.4 -1,-0.3 441,-0.1 3,-0.2 -0.838 81.4-121.6-144.3 178.0 37.9 91.4 72.3 93 93 A T S > S+ 0 0 85 -2,-0.3 3,-0.8 1,-0.1 4,-0.4 0.063 79.6 111.7-112.3 19.6 41.4 91.2 73.6 94 94 A H T >> + 0 0 0 -6,-0.3 3,-1.2 1,-0.2 4,-0.6 0.723 57.8 74.7 -66.8 -24.1 42.8 92.4 70.3 95 95 A A H >> S+ 0 0 17 1,-0.3 3,-1.7 -3,-0.2 4,-0.5 0.900 91.0 57.9 -55.7 -40.8 43.9 95.8 71.7 96 96 A E H X> S+ 0 0 53 -3,-0.8 4,-1.3 1,-0.3 3,-0.7 0.740 91.2 70.6 -62.6 -23.6 46.8 94.0 73.4 97 97 A L H <> S+ 0 0 3 -3,-1.2 4,-1.9 -4,-0.4 -1,-0.3 0.796 90.1 61.3 -65.5 -24.9 47.9 92.7 70.0 98 98 A R H S+ 0 0 0 -4,-1.9 5,-3.2 2,-0.2 3,-0.3 0.954 110.1 48.8 -62.0 -49.1 53.2 94.8 67.2 102 102 A K H ><5S+ 0 0 101 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.946 110.7 49.9 -55.3 -51.4 55.0 97.7 68.9 103 103 A R H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 109.1 52.3 -60.6 -27.6 57.4 95.4 70.7 104 104 A A T 3<5S- 0 0 30 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.330 121.1-110.6 -89.3 7.6 58.1 93.6 67.4 105 105 A G T < 5S+ 0 0 49 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.757 73.5 139.1 70.8 24.1 58.9 97.0 65.8 106 106 A V < - 0 0 2 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.885 49.5-136.0-106.0 130.7 55.8 96.9 63.6 107 107 A E E -b 2 0A 124 -106,-0.7 -104,-2.7 -2,-0.5 2,-0.4 -0.623 26.2-163.0 -80.6 139.4 53.7 100.0 63.1 108 108 A S E -b 3 0A 14 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.966 11.8-167.8-130.6 146.9 50.0 99.3 63.3 109 109 A Y E -b 4 0A 60 -106,-2.6 -104,-3.2 -2,-0.4 2,-0.5 -0.964 14.4-138.4-130.2 148.6 46.9 101.2 62.3 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 366,-0.2 -0.930 10.4-169.5-114.5 124.4 43.2 100.6 63.2 111 111 A I E -b 6 0A 4 -106,-3.3 -104,-2.6 -2,-0.5 -94,-0.1 -0.928 21.7-145.1-112.0 107.4 40.3 100.8 60.7 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.065 16.8-174.3 -67.2 168.1 37.0 100.8 62.4 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.944 44.2 -61.9-155.2 163.0 33.8 99.2 61.2 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.281 56.9-159.7 -56.4 135.7 30.2 99.1 62.5 115 115 A S >> - 0 0 0 264,-0.3 4,-2.4 -29,-0.2 3,-1.3 -0.883 30.3-124.7-121.0 151.8 29.9 97.4 65.9 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.3 -1,-0.1 0.788 107.8 71.6 -61.5 -26.4 27.1 95.8 67.9 117 117 A Y H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.828 111.6 25.5 -62.4 -32.6 28.0 98.3 70.6 118 118 A S H X4 S+ 0 0 0 -3,-1.3 3,-2.2 1,-0.1 -1,-0.2 0.715 109.4 72.8-100.7 -26.8 26.6 101.2 68.7 119 119 A A H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.708 76.3 81.9 -60.7 -17.6 24.1 99.2 66.6 120 120 A V G >< S+ 0 0 1 -4,-1.0 3,-2.4 1,-0.3 5,-0.5 0.726 70.9 82.8 -60.2 -17.1 22.0 98.8 69.7 121 121 A G G X S+ 0 0 1 -3,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.775 75.1 70.2 -57.8 -24.8 20.7 102.3 68.9 122 122 A I G < S+ 0 0 6 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.586 83.9 70.4 -71.0 -7.8 18.3 100.7 66.5 123 123 A T G < S- 0 0 0 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.546 111.5-116.5 -83.5 -9.4 16.4 99.3 69.5 124 124 A G S < S+ 0 0 2 -3,-1.6 2,-0.4 1,-0.3 125,-0.2 0.281 74.5 131.2 92.1 -12.8 15.2 102.8 70.3 125 125 A L - 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0 0 2 -9,-2.1 58,-0.5 -2,-0.5 2,-0.2 -0.277 26.9-142.4 -57.0 132.0 23.8 81.2 72.2 177 177 A T > - 0 0 37 1,-0.1 4,-2.1 56,-0.1 5,-0.2 -0.535 23.3-112.5 -92.7 162.0 20.3 82.5 71.5 178 178 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.861 119.3 58.8 -61.3 -33.5 18.5 85.2 73.5 179 179 A N H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.957 105.9 46.0 -59.9 -51.6 16.2 82.4 74.6 180 180 A E H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.891 111.7 52.7 -58.9 -40.3 19.0 80.4 76.1 181 181 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.903 108.9 50.0 -62.8 -40.7 20.3 83.5 77.8 182 182 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.905 110.1 49.7 -64.5 -42.3 16.9 84.2 79.3 183 183 A E H X S+ 0 0 76 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.941 111.3 49.2 -61.9 -47.0 16.6 80.6 80.6 184 184 A L H X S+ 0 0 19 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.905 110.9 50.6 -59.1 -42.2 20.1 80.9 82.2 185 185 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.881 107.0 52.8 -64.4 -40.4 19.2 84.3 83.8 186 186 A L H X S+ 0 0 37 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.897 108.0 52.6 -62.5 -38.4 15.9 82.9 85.3 187 187 A K H X S+ 0 0 115 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.877 110.1 47.6 -64.0 -37.3 18.0 80.1 86.9 188 188 A V H X S+ 0 0 2 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.873 109.6 53.5 -71.1 -37.6 20.3 82.6 88.4 189 189 A E H X S+ 0 0 22 -4,-2.3 4,-4.0 2,-0.2 6,-0.2 0.928 107.7 50.2 -61.4 -45.5 17.4 84.7 89.7 190 190 A D H < S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 114.6 46.3 -61.2 -33.2 16.0 81.6 91.4 191 191 A M H < S+ 0 0 137 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.874 127.4 24.5 -77.8 -39.6 19.4 81.1 92.9 192 192 A K H < S- 0 0 84 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.726 82.3-155.7 -99.2 -27.3 20.0 84.7 94.0 193 193 A K < + 0 0 148 -4,-4.0 -3,-0.1 -5,-0.3 -4,-0.1 0.846 42.3 141.1 53.2 43.2 16.5 86.0 94.4 194 194 A G - 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0 0 46 -4,-0.0 2,-0.4 49,-0.0 -1,-0.3 -0.971 63.0-128.8-166.6 168.0 28.5 116.3 64.4 304 38 B L - 0 0 16 -2,-0.3 2,-1.7 -3,-0.1 3,-0.1 -0.982 22.6-122.9-132.4 142.6 30.9 117.2 61.6 305 39 B M > - 0 0 12 -2,-0.4 3,-1.9 1,-0.2 -28,-0.1 -0.665 31.4-174.1 -82.7 87.7 33.2 115.2 59.4 306 40 B A T 3 S+ 0 0 44 -2,-1.7 -1,-0.2 -30,-0.3 -28,-0.1 0.649 77.5 54.4 -60.0 -16.9 36.3 117.1 60.4 307 41 B G T 3 S+ 0 0 21 -30,-2.2 -1,-0.3 -3,-0.1 2,-0.2 0.317 114.6 24.8-102.2 9.3 38.4 115.1 57.8 308 42 B T S < S- 0 0 17 -3,-1.9 2,-0.3 -31,-0.3 3,-0.1 -0.802 70.1-120.5-150.6-168.7 36.3 115.8 54.7 309 43 B T > - 0 0 73 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.923 31.2-107.4-139.9 166.0 33.9 118.2 53.1 310 44 B L H > S+ 0 0 63 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.922 120.4 55.9 -59.7 -41.4 30.3 118.2 51.7 311 45 B G H > S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.906 107.9 46.0 -57.6 -45.2 31.9 118.4 48.3 312 46 B R H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 113.7 48.8 -67.1 -38.2 34.0 115.3 48.7 313 47 B I H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.946 113.2 47.8 -66.3 -45.1 31.1 113.4 50.2 314 48 B Q H X>S+ 0 0 60 -4,-3.3 4,-2.8 1,-0.2 5,-1.0 0.913 111.9 50.5 -60.2 -43.0 28.9 114.5 47.3 315 49 B K H <5S+ 0 0 182 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.925 110.3 49.3 -60.9 -46.9 31.7 113.5 44.8 316 50 B L H <5S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 119.2 37.4 -61.4 -40.9 32.1 110.1 46.3 317 51 B I H <5S- 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.793 97.7-139.3 -83.5 -27.3 28.4 109.4 46.2 318 52 B G T <5 + 0 0 56 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.941 65.6 103.0 68.2 47.2 27.8 111.1 42.9 319 53 B K S - 0 0 58 -2,-0.4 4,-1.8 -26,-0.1 5,-0.1 -0.289 36.1 -97.9 -83.3 174.8 19.3 122.0 59.7 326 60 B R H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.869 127.0 47.7 -61.1 -37.7 18.3 120.8 63.2 327 61 B E H >>S+ 0 0 127 2,-0.2 4,-2.5 1,-0.2 5,-1.1 0.909 104.9 57.7 -71.6 -41.5 14.9 122.4 62.7 328 62 B D H >5S+ 0 0 41 3,-0.2 4,-0.6 2,-0.2 8,-0.3 0.895 117.2 36.8 -53.1 -41.2 14.3 121.0 59.3 329 63 B V H X5S+ 0 0 1 -4,-1.8 4,-1.5 3,-0.2 -2,-0.2 0.983 121.4 39.1 -75.6 -63.8 14.8 117.5 60.9 330 64 B E H <5S+ 0 0 73 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.800 130.9 26.9 -60.8 -34.0 13.1 117.8 64.3 331 65 B L H <5S+ 0 0 103 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.810 135.0 21.4-101.6 -33.1 10.2 120.0 63.2 332 66 B N H >XS+ 0 0 0 -4,-1.5 4,-2.0 1,-0.3 5,-1.7 0.901 82.0 52.9 -49.6 -43.9 11.1 115.8 58.8 334 68 B E H 345S+ 0 0 80 1,-0.2 -1,-0.3 3,-0.2 -2,-0.1 0.668 113.5 42.1 -68.8 -16.6 7.7 114.6 57.6 335 69 B N H <45S+ 0 0 106 -3,-1.8 -1,-0.2 -7,-0.2 -2,-0.2 0.696 124.3 33.0-100.3 -25.5 7.3 117.5 55.2 336 70 B I H <5S+ 0 0 31 -4,-2.3 4,-0.4 -8,-0.3 -3,-0.2 0.883 132.5 17.0 -97.1 -48.7 10.8 117.6 53.7 337 71 B V T X5S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.3 3,-0.2 0.907 117.0 54.8 -94.3 -49.4 12.0 114.0 53.7 338 72 B L H >4 S+ 0 0 66 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.960 107.3 45.4 -57.4 -50.6 6.9 112.8 51.2 340 74 B L H >> S+ 0 0 50 -4,-0.4 3,-1.1 1,-0.3 4,-1.0 0.800 106.4 60.2 -60.2 -33.4 9.6 112.0 48.6 341 75 B A H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.2 32,-0.2 0.568 89.9 72.5 -74.1 -7.6 10.3 108.6 50.2 342 76 B K T << S+ 0 0 116 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.728 116.3 18.0 -78.9 -21.1 6.7 107.7 49.4 343 77 B E T <4 S+ 0 0 161 -3,-1.1 2,-0.3 -4,-0.3 -2,-0.2 0.362 129.8 34.5-128.2 -0.8 7.4 107.4 45.7 344 78 B N S < S- 0 0 47 -4,-1.0 -76,-1.2 -76,-0.0 2,-0.6 -0.858 86.0 -91.1-144.4 177.6 11.2 107.1 45.6 345 79 B D E -n 268 0H 57 -2,-0.3 -51,-2.5 -53,-0.2 -50,-1.4 -0.876 47.9-169.6 -95.9 122.3 14.2 105.7 47.4 346 80 B V E -np 269 295H 0 -78,-2.9 -76,-3.3 -2,-0.6 2,-0.4 -0.923 10.7-155.0-118.9 143.8 15.5 108.3 49.8 347 81 B A E -np 270 296H 0 -52,-2.2 -50,-2.9 -2,-0.4 2,-0.5 -0.900 3.6-165.3-116.7 144.5 18.7 108.4 51.8 348 82 B F E -np 271 297H 0 -78,-2.5 -76,-2.4 -2,-0.4 2,-0.3 -0.945 16.0-157.2-130.4 106.3 19.3 110.4 55.0 349 83 B L E +np 272 298H 0 -52,-3.0 -50,-1.7 -2,-0.5 -76,-0.2 -0.684 14.5 175.0 -90.5 137.9 23.0 110.6 55.9 350 84 B T E -n 273 0H 3 -78,-1.9 -76,-3.0 -2,-0.3 -75,-0.4 -0.982 36.8-104.2-137.6 147.7 24.3 111.3 59.4 351 85 B P S S- 0 0 11 0, 0.0 2,-0.2 0, 0.0 -75,-0.2 -0.402 91.6 -0.5 -66.4 153.1 27.9 111.4 60.8 352 86 B G B S-R 275 0I 14 -77,-3.4 -77,-2.0 -79,-0.1 29,-0.2 -0.459 123.3 -17.5 74.2-139.2 28.7 108.2 62.7 353 87 B D S > S- 0 0 4 -2,-0.2 3,-1.4 -80,-0.2 4,-0.4 -0.907 76.0-110.9-107.9 128.3 26.1 105.4 63.1 354 88 B P T 3 S+ 0 0 1 0, 0.0 25,-0.1 0, 0.0 -233,-0.1 -0.202 98.9 23.8 -57.2 152.2 22.5 106.3 62.5 355 89 B L T 3 S+ 0 0 6 1,-0.1 -228,-0.3 2,-0.1 6,-0.2 0.523 89.9 103.6 71.3 6.2 20.2 106.4 65.5 356 90 B V < + 0 0 23 -3,-1.4 -229,-0.4 -230,-0.1 -228,-0.3 0.918 59.8 84.1 -80.1 -47.0 23.0 107.0 68.0 357 91 B A S >> S- 0 0 28 -4,-0.4 3,-2.3 1,-0.2 4,-0.6 -0.352 94.7-122.8 -54.3 124.1 22.0 110.7 68.3 358 92 B T T 34 S+ 0 0 68 1,-0.3 4,-0.3 2,-0.2 3,-0.3 0.715 104.5 47.8 -47.4 -32.7 19.2 110.4 70.9 359 93 B T T 34 S+ 0 0 58 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.538 93.7 78.0 -89.3 -4.9 16.4 112.0 68.8 360 94 B H T X> S+ 0 0 2 -3,-2.3 3,-1.5 1,-0.2 4,-0.6 0.853 79.6 64.9 -73.8 -34.6 17.0 110.0 65.6 361 95 B A H >X S+ 0 0 7 -4,-0.6 3,-1.7 1,-0.3 4,-0.6 0.915 97.2 59.7 -53.1 -41.4 15.3 106.8 66.7 362 96 B E H >> S+ 0 0 51 -4,-0.3 4,-1.9 1,-0.3 3,-0.6 0.748 89.5 71.2 -59.5 -25.2 12.0 108.7 66.8 363 97 B L H <> S+ 0 0 2 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.3 0.800 92.6 56.9 -62.9 -27.9 12.4 109.6 63.1 364 98 B R H <>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 3,-0.9 0.956 108.6 48.3 -58.9 -52.7 8.4 107.2 58.9 368 102 B K H ><5S+ 0 0 101 -4,-2.4 3,-2.5 1,-0.3 -2,-0.2 0.938 108.3 55.3 -52.6 -50.1 6.1 104.3 59.9 369 103 B R H 3<5S+ 0 0 164 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.764 106.8 51.7 -55.4 -27.8 3.2 106.7 60.5 370 104 B A T <<5S- 0 0 35 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.290 119.3-108.7 -94.6 10.0 3.6 108.0 57.0 371 105 B G T < 5S+ 0 0 45 -3,-2.5 2,-0.4 1,-0.3 -3,-0.2 0.840 76.4 136.4 67.4 31.8 3.4 104.6 55.4 372 106 B V < - 0 0 7 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.947 50.3-136.9-114.9 131.0 7.1 104.7 54.6 373 107 B E E -o 268 0H 83 -106,-1.9 -104,-2.9 -2,-0.4 2,-0.4 -0.608 22.5-162.9 -82.7 146.2 9.4 101.8 55.2 374 108 B S E -o 269 0H 15 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.980 9.1-170.0-133.7 146.8 12.8 102.6 56.7 375 109 B Y E -o 270 0H 47 -106,-2.2 -104,-3.1 -2,-0.4 2,-0.5 -0.965 17.5-132.3-133.3 149.3 16.1 100.6 56.9 376 110 B V E -o 271 0H 8 -2,-0.3 2,-0.7 -164,-0.3 -104,-0.2 -0.907 11.7-167.6-111.3 124.8 19.2 101.3 58.8 377 111 B I E -o 272 0H 4 -106,-3.5 -104,-2.5 -2,-0.5 -94,-0.1 -0.923 22.8-145.8-110.2 107.9 22.7 101.2 57.4 378 112 B H + 0 0 4 -2,-0.7 -95,-0.3 -106,-0.2 -92,-0.2 -0.202 20.6 175.6 -72.2 161.9 25.3 101.2 60.1 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -25,-0.1 -97,-0.1 -0.937 45.3 -59.6-155.3 168.0 28.7 102.8 60.2 380 114 B P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.291 52.0-163.2 -58.9 139.7 31.5 103.3 62.8 381 115 B S >> - 0 0 4 -268,-0.3 4,-2.8 -29,-0.2 3,-1.1 -0.892 30.8-122.2-122.7 153.1 30.5 105.3 65.8 382 116 B I H 3> S+ 0 0 31 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.821 109.1 71.7 -63.6 -28.3 32.7 107.0 68.4 383 117 B Y H 34 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.857 114.4 23.4 -55.5 -36.0 30.9 104.8 71.0 384 118 B S H X4 S+ 0 0 0 -3,-1.1 3,-1.9 2,-0.1 -2,-0.2 0.756 115.1 66.7 -99.3 -32.0 32.8 101.8 69.7 385 119 B A H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.784 83.9 74.8 -60.5 -28.4 35.8 103.6 68.1 386 120 B V G >< S+ 0 0 1 -4,-2.1 3,-2.0 1,-0.3 5,-0.5 0.605 72.6 85.9 -62.5 -6.8 36.9 104.7 71.6 387 121 B G G X S+ 0 0 1 -3,-1.9 3,-1.8 1,-0.3 -1,-0.3 0.703 70.1 76.8 -65.2 -16.3 38.1 101.1 71.9 388 122 B I G < S+ 0 0 7 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.623 80.3 70.8 -69.2 -10.5 41.3 102.3 70.2 389 123 B T G < S- 0 0 0 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.550 111.7-117.4 -81.2 -8.4 42.2 103.8 73.6 390 124 B G S < S+ 0 0 4 -3,-1.8 2,-0.3 1,-0.3 125,-0.1 0.329 73.3 131.8 89.2 -11.3 42.8 100.3 75.1 391 125 B L - 0 0 3 -5,-0.5 -1,-0.3 1,-0.1 2,-0.2 -0.615 68.2-107.5 -76.1 133.9 40.0 100.8 77.6 392 126 B H > - 0 0 35 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 -0.441 20.8-140.5 -64.8 128.3 37.7 97.7 77.6 393 127 B I G > S+ 0 0 2 -304,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.873 98.2 60.5 -58.2 -40.0 34.4 98.6 76.0 394 128 B Y G 3 S+ 0 0 93 1,-0.3 -261,-2.5 -262,-0.1 -1,-0.3 0.752 97.1 62.6 -62.2 -22.4 32.3 96.6 78.6 395 129 B K G < S+ 0 0 19 -3,-1.2 32,-1.9 -263,-0.2 -1,-0.3 0.579 78.0 104.5 -81.1 -9.5 33.6 98.8 81.4 396 130 B F B < -s 427 0J 5 -3,-1.7 32,-0.2 -4,-0.3 -263,-0.1 -0.463 50.9-171.8 -72.2 144.7 32.2 102.1 80.1 397 131 B G - 0 0 0 30,-2.9 32,-0.2 1,-0.4 -267,-0.2 -0.093 45.3 -17.0-111.9-147.2 29.1 103.3 82.0 398 132 B K - 0 0 70 19,-0.1 -1,-0.4 -269,-0.1 31,-0.3 -0.231 67.2-139.6 -57.8 146.1 26.6 106.1 81.4 399 133 B S - 0 0 7 -271,-2.3 2,-0.3 29,-0.1 31,-0.2 -0.742 20.8-177.3-109.4 159.7 27.8 108.8 78.9 400 134 B A E -t 430 0K 14 29,-1.8 31,-2.6 -2,-0.3 2,-0.4 -0.966 23.3-122.7-151.7 166.2 27.4 112.5 79.1 401 135 B T E -t 431 0K 80 -2,-0.3 2,-0.7 29,-0.2 13,-0.3 -0.948 20.8-135.5-116.9 129.9 28.1 115.7 77.2 402 136 B V E -t 432 0K 0 29,-3.3 31,-1.9 -2,-0.4 2,-0.3 -0.768 28.2-166.5 -86.3 114.1 30.1 118.6 78.7 403 137 B A - 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