==== 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 28-MAR-07 2EMR . COMPND 2 MOLECULE: PROBABLE 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) . 21709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.4 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 7 0 0 1 4 2 0 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 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 0 4 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 0 112 0, 0.0 106,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 76.3 56.1 97.4 55.9 2 2 A V E -ab 79 107A 17 76,-1.0 78,-3.2 104,-0.1 2,-0.5 -0.981 360.0-131.3-148.6 155.6 53.0 98.2 57.9 3 3 A L E -ab 80 108A 0 104,-2.7 106,-2.2 -2,-0.3 2,-0.5 -0.945 17.0-161.9-114.5 129.3 50.1 96.4 59.6 4 4 A Y E -ab 81 109A 34 76,-3.1 78,-3.0 -2,-0.5 2,-0.7 -0.930 8.9-156.1-112.5 125.2 46.4 97.4 59.2 5 5 A F E -ab 82 110A 0 104,-3.2 106,-3.1 -2,-0.5 2,-0.5 -0.893 25.4-177.3 -95.2 116.9 43.6 96.3 61.5 6 6 A I E -ab 83 111A 0 76,-2.6 78,-1.5 -2,-0.7 2,-0.2 -0.956 17.7-145.1-125.7 120.2 40.5 96.5 59.4 7 7 A G E -a 84 0A 0 104,-2.2 10,-0.5 -2,-0.5 80,-0.2 -0.543 1.9-158.0 -81.3 144.5 37.0 95.8 60.5 8 8 A L - 0 0 3 76,-3.0 7,-0.3 78,-0.3 3,-0.2 0.496 39.8-128.6 -97.7 -7.8 34.5 94.2 58.2 9 9 A G B -E 86 0B 0 77,-1.6 77,-3.3 75,-0.3 -1,-0.3 -0.346 34.2 -48.3 95.0-174.3 31.3 95.4 59.8 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.2 0.863 111.2 -6.0 -71.5 -47.5 28.1 93.9 61.1 11 11 A Y S S+ 0 0 54 1,-0.3 30,-1.7 199,-0.2 31,-0.4 0.781 112.3 10.2-124.2 -54.5 26.6 91.5 58.6 12 12 A D S > S- 0 0 21 29,-0.2 3,-2.1 198,-0.2 -1,-0.3 -0.736 80.0 -86.7-128.9 179.2 28.1 91.2 55.1 13 13 A E G > S+ 0 0 36 1,-0.3 3,-0.8 -2,-0.2 271,-0.2 0.643 118.2 66.2 -62.8 -14.1 31.1 92.2 53.0 14 14 A R G 3 S+ 0 0 66 1,-0.2 271,-2.8 270,-0.1 270,-0.4 0.542 80.9 78.0 -85.8 -3.3 29.6 95.5 52.1 15 15 A D G < S+ 0 0 1 -3,-2.1 -1,-0.2 -7,-0.3 2,-0.2 0.465 71.1 103.7 -82.3 -0.3 29.7 96.7 55.7 16 16 A I S < S- 0 0 1 -3,-0.8 268,-2.6 97,-0.1 269,-0.3 -0.528 81.6-110.9 -76.3 147.6 33.4 97.4 55.3 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.4 95,-0.4 266,-0.3 -0.464 20.3-116.7 -78.6 156.3 34.1 101.1 54.9 18 18 A V H > S+ 0 0 9 264,-2.6 4,-2.6 1,-0.2 5,-0.3 0.900 118.4 56.0 -57.9 -39.6 35.4 102.4 51.5 19 19 A K H > S+ 0 0 2 261,-2.9 4,-1.8 263,-0.4 -1,-0.2 0.934 108.3 47.5 -57.2 -46.8 38.6 103.4 53.3 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.6 92,-0.2 -1,-0.2 0.885 111.8 50.1 -63.2 -40.1 39.0 99.8 54.5 21 21 A L H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.966 109.9 48.2 -64.2 -53.1 38.3 98.3 51.0 22 22 A E H < S+ 0 0 88 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.846 116.9 43.2 -58.2 -35.6 40.7 100.5 49.1 23 23 A I H >< S+ 0 0 18 -4,-1.8 3,-1.3 -5,-0.3 4,-0.3 0.923 111.7 52.5 -76.5 -44.5 43.5 99.8 51.6 24 24 A A H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.836 103.5 59.9 -59.2 -33.1 42.8 96.1 51.9 25 25 A K T 3< S+ 0 0 92 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.760 107.2 46.6 -66.4 -24.6 43.0 95.9 48.1 26 26 A K T < S+ 0 0 157 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.301 85.9 110.3-102.1 7.4 46.6 97.1 48.1 27 27 A C < - 0 0 0 -3,-1.1 53,-0.2 -4,-0.3 3,-0.1 -0.609 60.4-145.2 -84.5 145.3 48.0 94.9 50.9 28 28 A D S S+ 0 0 90 51,-1.8 2,-0.4 -2,-0.3 52,-0.2 0.903 86.7 26.7 -73.9 -42.3 50.5 92.2 50.0 29 29 A Y E -c 80 0A 104 50,-1.5 52,-2.1 24,-0.1 2,-0.5 -0.961 68.6-162.7-125.2 141.5 49.2 89.8 52.6 30 30 A V E +c 81 0A 9 24,-0.5 26,-2.0 -2,-0.4 2,-0.3 -0.973 11.5 173.7-129.0 119.5 45.7 89.5 54.2 31 31 A F E +cd 82 56A 10 50,-3.0 52,-2.8 -2,-0.5 2,-0.3 -0.729 6.0 173.2-114.6 168.0 44.9 87.6 57.4 32 32 A A E -cd 83 57A 0 24,-1.4 26,-3.6 50,-0.3 2,-0.3 -0.982 21.2-143.2-166.8 166.1 41.6 87.5 59.3 33 33 A E E - d 0 58A 0 50,-1.5 26,-0.1 -2,-0.3 24,-0.0 -0.979 7.7-176.0-137.8 146.7 39.8 85.9 62.2 34 34 A F + 0 0 57 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.150 65.5 86.4-136.4 39.2 36.1 84.9 62.5 35 35 A Y S S+ 0 0 16 23,-0.1 135,-0.4 135,-0.1 136,-0.1 0.592 76.1 65.0-112.2 -17.5 35.9 83.7 66.1 36 36 A T S S- 0 0 14 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.683 117.8 -10.4 -80.1 -18.2 35.1 87.0 67.8 37 37 A S - 0 0 5 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.971 69.4-102.2-165.2 176.6 31.8 87.5 66.1 38 38 A L - 0 0 33 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.953 11.6-164.6-119.9 125.9 29.4 86.2 63.4 39 39 A M > - 0 0 13 -2,-0.5 3,-1.5 1,-0.2 -28,-0.2 -0.759 15.5-177.7-104.7 82.9 28.9 87.8 60.0 40 40 A A T 3 S+ 0 0 41 -2,-1.0 -1,-0.2 -30,-0.3 -28,-0.1 0.656 70.5 56.8 -56.4 -21.9 25.7 86.0 59.1 41 41 A G T 3 S+ 0 0 14 -30,-1.7 -1,-0.2 -3,-0.1 2,-0.2 0.353 103.4 42.0 -99.7 8.9 25.3 87.6 55.7 42 42 A T < - 0 0 22 -3,-1.5 2,-0.3 -31,-0.4 -3,-0.1 -0.818 60.9-137.6-141.5-179.2 28.5 86.8 53.9 43 43 A T > - 0 0 72 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.914 34.1-107.7-137.2 163.8 31.2 84.1 53.2 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.922 119.8 57.0 -58.2 -42.7 35.0 84.0 53.1 45 45 A G H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 106.0 47.1 -54.4 -48.5 34.6 83.6 49.3 46 46 A R H > S+ 0 0 133 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 113.4 49.2 -62.6 -39.8 32.6 86.8 48.9 47 47 A I H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.960 112.8 46.5 -63.7 -51.7 35.0 88.7 51.0 48 48 A Q H X>S+ 0 0 48 -4,-3.2 4,-2.5 1,-0.2 5,-1.2 0.898 113.2 51.1 -56.0 -42.1 38.0 87.4 49.1 49 49 A K H <5S+ 0 0 184 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.910 111.2 46.8 -63.0 -44.1 36.2 88.2 45.9 50 50 A L H <5S+ 0 0 53 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.882 121.2 36.5 -66.0 -40.2 35.4 91.8 47.0 51 51 A I H <5S- 0 0 7 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.714 101.8-132.8 -86.0 -22.5 39.0 92.5 48.1 52 52 A G T <5 + 0 0 57 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.824 68.4 103.4 73.9 32.1 40.6 90.4 45.4 53 53 A K S - 0 0 37 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.437 33.8 -99.1 -91.2 170.8 42.2 80.6 64.8 60 60 A R H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.860 126.5 49.3 -58.8 -34.6 42.0 82.0 68.3 61 61 A E H >>S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 5,-1.1 0.942 106.5 53.7 -71.1 -46.3 45.2 80.2 69.2 62 62 A D H >5S+ 0 0 48 3,-0.2 4,-1.0 2,-0.2 7,-0.2 0.918 119.5 36.5 -51.9 -44.9 47.1 81.3 66.1 63 63 A V H X5S+ 0 0 1 -4,-2.3 4,-1.4 3,-0.2 5,-0.2 0.985 118.6 43.7 -72.6 -63.7 46.2 84.9 67.1 64 64 A E H <5S+ 0 0 56 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.683 133.3 19.9 -60.5 -19.2 46.4 84.9 70.9 65 65 A M H <5S+ 0 0 116 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.2 0.721 134.1 29.5-119.5 -36.3 49.6 82.9 71.0 66 66 A N H >XS+ 0 0 0 -4,-1.4 4,-2.3 1,-0.3 5,-1.4 0.948 82.4 51.4 -56.3 -49.2 50.3 86.5 66.2 68 68 A E H 345S+ 0 0 75 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.503 115.7 43.4 -67.1 -3.0 54.0 87.7 66.4 69 69 A N H <45S+ 0 0 100 -3,-1.6 -1,-0.2 -7,-0.2 -2,-0.2 0.663 122.8 31.7-111.6 -29.7 55.1 84.6 64.5 70 70 A I H <5S+ 0 0 28 -4,-2.3 4,-0.2 -3,-0.2 -3,-0.2 0.851 133.4 16.9 -97.0 -43.3 52.5 84.3 61.8 71 71 A V T >X5S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.4 4,-1.3 0.914 115.9 55.7 -97.3 -60.5 51.5 88.0 61.0 72 72 A L H 3> S+ 0 0 51 -3,-1.3 4,-2.5 -4,-0.2 3,-1.8 0.859 103.8 63.3 -72.3 -36.4 55.5 89.7 57.1 75 75 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 32,-0.2 0.723 88.6 72.6 -60.8 -21.2 54.6 93.3 58.2 76 76 A K T 3< S+ 0 0 97 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.1 0.382 120.3 11.1 -76.5 5.8 58.3 94.0 58.6 77 77 A E T <4 S+ 0 0 154 -3,-1.8 2,-0.2 1,-0.3 -2,-0.2 0.394 127.9 44.1-154.4 -18.8 58.7 94.0 54.9 78 78 A N S < S- 0 0 44 -4,-2.5 -76,-1.0 -76,-0.0 2,-0.7 -0.789 84.8 -97.2-130.3 171.7 55.2 94.0 53.4 79 79 A D E -a 2 0A 46 -78,-0.3 -51,-1.8 -2,-0.2 -50,-1.5 -0.846 48.7-171.3 -93.2 113.9 51.9 95.8 53.8 80 80 A V E -ac 3 29A 0 -78,-3.2 -76,-3.1 -2,-0.7 2,-0.4 -0.856 12.7-160.5-113.6 144.5 49.8 93.4 55.9 81 81 A A E -ac 4 30A 0 -52,-2.1 -50,-3.0 -2,-0.4 2,-0.5 -0.926 4.4-161.9-122.0 146.2 46.1 93.6 56.8 82 82 A F E -ac 5 31A 0 -78,-3.0 -76,-2.6 -2,-0.4 -50,-0.3 -0.970 16.9-158.9-128.0 110.6 44.3 91.8 59.6 83 83 A L E +ac 6 32A 0 -52,-2.8 -50,-1.5 -2,-0.5 -76,-0.2 -0.648 14.2 172.0 -93.9 149.4 40.5 91.6 59.1 84 84 A T E -a 7 0A 0 -78,-1.5 -76,-3.0 -2,-0.3 -75,-0.3 -0.969 37.6 -93.5-148.9 159.9 37.9 91.0 61.8 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.345 92.4 -11.7 -70.7 160.5 34.1 91.1 62.1 86 86 A G B S-E 9 0B 1 -77,-3.3 -77,-1.6 -79,-0.1 -78,-0.3 -0.144 129.1 -16.0 49.1-140.1 32.5 94.4 63.3 87 87 A D > - 0 0 0 446,-2.6 3,-1.2 -80,-0.2 25,-0.1 -0.832 68.5-131.0 -94.7 133.6 35.1 96.9 64.6 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 7,-0.1 0.727 101.1 40.4 -57.1 -26.1 38.4 95.2 65.4 89 89 A L T 3 S+ 0 0 9 5,-0.1 2,-0.7 444,-0.1 3,-0.5 0.375 87.4 104.0-108.2 5.1 38.8 96.7 68.9 90 90 A V S < S- 0 0 0 -3,-1.2 -3,-0.1 443,-0.2 26,-0.1 -0.792 101.8 -17.3 -94.7 115.4 35.3 96.5 70.3 91 91 A A S S+ 0 0 41 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.877 118.2 92.5 61.8 39.4 34.7 93.7 72.8 92 92 A T S S- 0 0 21 -3,-0.5 -1,-0.3 441,-0.1 301,-0.2 -0.806 80.3-122.2-142.6-177.8 37.8 91.8 71.8 93 93 A T S > S+ 0 0 78 -2,-0.3 3,-1.3 1,-0.1 4,-0.4 0.136 76.9 113.0-116.8 17.1 41.4 91.8 73.1 94 94 A H T > + 0 0 0 -6,-0.4 3,-1.3 1,-0.3 4,-0.5 0.726 60.0 75.3 -62.2 -22.5 42.9 92.8 69.7 95 95 A A T >> S+ 0 0 16 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.879 89.1 59.6 -56.8 -37.5 44.0 96.2 71.0 96 96 A E H X> S+ 0 0 51 -3,-1.3 4,-1.4 1,-0.3 3,-0.6 0.763 91.9 68.4 -62.4 -25.5 46.8 94.3 72.8 97 97 A L H <> S+ 0 0 3 -3,-1.3 4,-2.0 -4,-0.4 -1,-0.3 0.727 91.0 61.2 -67.7 -20.5 48.0 93.1 69.4 98 98 A R H <> S+ 0 0 26 -3,-1.8 4,-2.2 -4,-0.5 -1,-0.2 0.832 100.7 54.0 -73.7 -30.4 48.9 96.7 68.7 99 99 A I H S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 3,-0.5 0.934 109.9 48.3 -55.5 -46.7 53.2 95.1 66.8 102 102 A K H ><5S+ 0 0 100 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.941 107.9 52.8 -59.8 -50.2 55.0 98.1 68.4 103 103 A R H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.743 108.8 51.8 -59.4 -23.6 57.5 95.9 70.3 104 104 A A T 3<5S- 0 0 33 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.209 121.8-106.9 -97.5 14.3 58.4 94.2 67.1 105 105 A G T < 5S+ 0 0 55 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.872 75.3 137.2 64.7 38.2 59.0 97.5 65.3 106 106 A V < - 0 0 6 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.2 -0.967 48.3-139.0-121.2 123.0 55.9 97.4 63.2 107 107 A E E -b 2 0A 120 -106,-0.5 -104,-2.7 -2,-0.5 2,-0.3 -0.559 23.4-164.5 -77.2 142.3 53.7 100.4 62.7 108 108 A S E -b 3 0A 17 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.962 10.0-166.4-131.0 149.1 49.9 99.6 62.8 109 109 A Y E -b 4 0A 52 -106,-2.2 -104,-3.2 -2,-0.3 2,-0.5 -0.950 13.8-138.1-131.0 152.1 46.8 101.5 61.8 110 110 A V E -b 5 0A 7 -2,-0.3 2,-0.7 367,-0.2 -104,-0.2 -0.948 10.0-169.3-118.8 123.4 43.2 101.0 62.6 111 111 A I E -b 6 0A 3 -106,-3.1 -104,-2.2 -2,-0.5 -94,-0.1 -0.944 23.3-145.1-110.0 111.1 40.3 101.3 60.1 112 112 A H - 0 0 7 -2,-0.7 -95,-0.4 -106,-0.2 -92,-0.2 -0.120 16.3-171.9 -70.1 169.4 37.0 101.2 61.9 113 113 A A - 0 0 0 -97,-0.1 268,-0.3 266,-0.1 -97,-0.1 -0.950 43.2 -63.3-154.7 162.5 33.8 99.6 60.7 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.301 58.0-160.3 -57.2 135.6 30.2 99.6 62.0 115 115 A S >> - 0 0 0 264,-0.3 4,-2.0 -29,-0.2 3,-0.9 -0.868 30.9-123.8-120.9 153.3 29.9 97.8 65.4 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.804 108.1 69.1 -62.3 -27.8 27.2 96.2 67.4 117 117 A Y H 34 S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.871 111.7 27.5 -61.0 -39.3 28.1 98.6 70.2 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-1.8 1,-0.2 -1,-0.2 0.705 108.5 73.0 -94.6 -21.7 26.8 101.7 68.3 119 119 A A H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.625 73.6 85.2 -66.8 -11.8 24.2 99.8 66.2 120 120 A V G ><>S+ 0 0 0 -4,-0.7 3,-2.3 1,-0.3 5,-0.5 0.724 70.1 81.7 -61.1 -18.7 22.1 99.5 69.4 121 121 A G G X 5S+ 0 0 1 -3,-1.8 3,-1.5 1,-0.3 -1,-0.3 0.762 76.6 68.2 -57.9 -24.9 20.8 102.9 68.4 122 122 A I G < 5S+ 0 0 6 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.608 86.1 69.7 -72.3 -9.1 18.4 101.2 66.0 123 123 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.582 111.4-117.3 -82.1 -11.7 16.5 99.8 69.0 124 124 A G T < 5S+ 0 0 2 -3,-1.5 2,-0.4 1,-0.3 125,-0.2 0.327 74.2 129.0 92.4 -9.0 15.3 103.3 69.8 125 125 A L S - 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0 0 51 -2,-0.4 4,-2.1 -26,-0.1 5,-0.2 -0.352 35.7 -97.4 -89.1 173.4 19.3 122.3 59.3 326 60 B R H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.882 127.0 47.7 -57.7 -40.9 18.3 121.2 62.8 327 61 B E H >>S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 5,-0.9 0.858 106.8 56.8 -70.0 -36.0 14.9 122.9 62.4 328 62 B D H >5S+ 0 0 38 3,-0.2 4,-0.9 2,-0.2 7,-0.2 0.922 117.8 34.7 -59.6 -44.2 14.5 121.3 58.9 329 63 B V H X5S+ 0 0 1 -4,-2.1 4,-1.3 3,-0.2 -2,-0.2 0.983 122.0 40.6 -75.2 -62.1 14.9 117.9 60.5 330 64 B E H <5S+ 0 0 61 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.824 131.3 24.3 -60.4 -34.1 13.4 118.2 64.0 331 65 B M H <5S+ 0 0 126 -4,-1.9 -3,-0.2 -5,-0.3 -1,-0.2 0.762 134.0 24.0-105.9 -26.4 10.4 120.2 62.9 332 66 B N H >XS+ 0 0 0 -4,-1.3 4,-2.0 1,-0.3 5,-1.5 0.891 82.6 52.0 -49.9 -43.5 11.3 116.1 58.3 334 68 B E H 345S+ 0 0 77 1,-0.2 -1,-0.3 3,-0.2 -2,-0.1 0.647 113.2 43.5 -71.3 -13.9 7.8 115.0 57.2 335 69 B N H <45S+ 0 0 114 -3,-1.9 -1,-0.2 -7,-0.2 -2,-0.2 0.598 125.0 30.9-104.7 -15.4 7.3 117.9 54.9 336 70 B I H <5S+ 0 0 33 -4,-1.8 4,-0.3 -3,-0.3 -3,-0.2 0.817 131.7 19.3-107.0 -49.6 10.8 118.0 53.4 337 71 B V T >X5S+ 0 0 0 -4,-2.0 4,-1.0 -5,-0.3 3,-0.6 0.933 116.3 53.8 -90.9 -54.2 12.0 114.4 53.2 338 72 B L H 3>4 S+ 0 0 65 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.927 105.7 45.9 -59.0 -43.7 7.0 113.3 50.7 340 74 B L H X> S+ 0 0 51 -3,-0.6 4,-1.7 -4,-0.3 3,-0.8 0.746 103.3 65.4 -69.3 -24.6 9.6 112.4 48.1 341 75 B A H 3< S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.2 32,-0.2 0.624 86.5 72.5 -74.1 -12.4 10.0 109.0 49.7 342 76 B K T << S+ 0 0 79 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.809 117.4 14.9 -71.6 -30.5 6.5 108.1 48.7 343 77 B E T <4 S+ 0 0 167 -3,-0.8 2,-0.2 -4,-0.4 -2,-0.2 0.503 128.8 38.5-121.2 -10.9 7.4 107.8 45.0 344 78 B N S < S- 0 0 44 -4,-1.7 -76,-0.9 -76,-0.0 2,-0.6 -0.746 84.6 -96.8-132.1 178.4 11.2 107.6 45.0 345 79 B D E -n 268 0H 56 -2,-0.2 -51,-1.9 -78,-0.2 -50,-1.4 -0.907 45.1-165.7 -99.1 121.1 14.1 106.1 47.0 346 80 B V E -np 269 295H 0 -78,-3.2 -76,-3.5 -2,-0.6 2,-0.4 -0.893 9.2-156.1-113.5 142.6 15.4 108.8 49.4 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.0 -2,-0.4 2,-0.5 -0.918 2.3-164.8-116.0 140.8 18.7 108.8 51.3 348 82 B F E -np 271 297H 0 -78,-3.0 -76,-2.9 -2,-0.4 2,-0.4 -0.974 14.2-158.8-125.7 112.1 19.3 110.7 54.5 349 83 B L E +np 272 298H 0 -52,-2.8 -50,-1.5 -2,-0.5 -76,-0.2 -0.768 14.4 172.8 -97.8 137.7 23.0 111.0 55.4 350 84 B T E -n 273 0H 5 -78,-1.9 -76,-2.9 -2,-0.4 -75,-0.4 -0.984 38.0-100.8-139.0 148.0 24.3 111.8 58.9 351 85 B P S S- 0 0 13 0, 0.0 2,-0.2 0, 0.0 -75,-0.2 -0.353 90.9 -0.6 -64.7 149.5 27.9 111.8 60.3 352 86 B G B S-R 275 0I 14 -77,-3.2 -77,-2.0 -79,-0.1 29,-0.2 -0.512 122.4 -16.7 77.0-138.4 28.8 108.7 62.3 353 87 B D S > S- 0 0 3 -2,-0.2 3,-1.4 -80,-0.2 4,-0.4 -0.897 76.0-110.0-107.6 131.8 26.2 105.9 62.7 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.252 100.0 24.1 -60.2 151.7 22.5 106.7 62.1 355 89 B L T 3 S+ 0 0 7 2,-0.1 -228,-0.3 1,-0.1 6,-0.2 0.554 90.9 104.0 71.0 9.0 20.3 106.8 65.1 356 90 B V < + 0 0 25 -3,-1.4 -229,-0.4 -230,-0.1 -228,-0.2 0.911 58.5 82.8 -82.4 -49.1 23.1 107.5 67.5 357 91 B A S > S- 0 0 29 -4,-0.4 3,-2.4 1,-0.2 4,-0.5 -0.380 95.3-122.5 -54.6 118.9 22.1 111.2 67.8 358 92 B T T 3 S+ 0 0 67 1,-0.3 3,-0.3 -2,-0.2 4,-0.3 0.707 103.6 48.3 -41.1 -36.0 19.4 110.9 70.5 359 93 B T T 3 S+ 0 0 63 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.599 92.9 77.9 -87.2 -6.7 16.6 112.5 68.4 360 94 B H S X> S+ 0 0 3 -3,-2.4 3,-1.6 1,-0.2 4,-0.5 0.828 78.4 66.3 -73.5 -31.7 17.0 110.6 65.2 361 95 B A H >> S+ 0 0 8 -4,-0.5 3,-2.1 -3,-0.3 4,-0.6 0.923 95.4 61.3 -53.9 -42.3 15.4 107.3 66.2 362 96 B E H >> S+ 0 0 48 -4,-0.3 4,-1.6 1,-0.3 3,-0.7 0.729 88.3 72.7 -56.7 -24.0 12.1 109.1 66.4 363 97 B L H <> S+ 0 0 3 -3,-1.6 4,-1.7 -4,-0.3 -1,-0.3 0.790 89.8 58.8 -63.4 -27.6 12.4 110.0 62.7 364 98 B R H S+ 0 0 0 -4,-1.7 5,-2.8 2,-0.2 3,-0.3 0.927 108.5 49.1 -62.9 -45.6 8.3 107.6 58.5 368 102 B K H ><5S+ 0 0 97 -4,-2.1 3,-2.7 1,-0.2 -2,-0.2 0.958 108.6 53.2 -57.7 -51.2 6.0 104.8 59.6 369 103 B R H 3<5S+ 0 0 166 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 108.4 51.7 -54.6 -29.6 3.1 107.3 60.2 370 104 B A T 3<5S- 0 0 38 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.368 117.7-113.5 -90.2 4.6 3.7 108.5 56.6 371 105 B G T < 5S+ 0 0 39 -3,-2.7 2,-0.5 1,-0.3 -3,-0.2 0.816 72.0 139.9 67.8 29.5 3.5 105.0 55.2 372 106 B V < - 0 0 6 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.2 -0.913 50.0-133.4-109.9 130.4 7.1 105.1 54.2 373 107 B E E -o 268 0H 93 -106,-1.4 -104,-2.6 -2,-0.5 2,-0.4 -0.574 24.9-165.1 -78.3 142.6 9.4 102.1 54.7 374 108 B S E -o 269 0H 15 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.987 9.7-171.4-133.9 143.5 12.8 103.0 56.2 375 109 B Y E -o 270 0H 47 -106,-2.1 -104,-2.9 -2,-0.4 2,-0.5 -0.968 17.8-133.4-131.3 147.4 16.0 101.0 56.4 376 110 B V E -o 271 0H 7 -2,-0.3 2,-0.7 -164,-0.2 -104,-0.2 -0.898 11.3-166.9-109.2 125.6 19.2 101.7 58.4 377 111 B I E -o 272 0H 4 -106,-3.2 -104,-2.3 -2,-0.5 -94,-0.1 -0.929 23.1-143.7-110.8 107.1 22.7 101.5 56.9 378 112 B H + 0 0 3 -2,-0.7 -95,-0.3 -106,-0.2 -92,-0.2 -0.176 21.7 175.6 -70.8 160.7 25.3 101.6 59.7 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -25,-0.1 -105,-0.1 -0.948 44.9 -62.5-155.4 163.2 28.7 103.2 59.7 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.243 50.2-161.6 -57.0 139.7 31.5 103.7 62.3 381 115 B S >> - 0 0 4 -268,-0.3 4,-3.1 -29,-0.2 3,-0.8 -0.873 30.6-120.9-121.7 153.8 30.6 105.8 65.4 382 116 B I H 3> S+ 0 0 29 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.821 111.2 68.6 -62.6 -29.0 32.8 107.5 68.0 383 117 B Y H 34 S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.2 -266,-0.0 0.894 114.8 25.0 -57.2 -41.0 31.0 105.3 70.5 384 118 B S H X4 S+ 0 0 0 -3,-0.8 3,-1.7 1,-0.1 -2,-0.2 0.780 115.5 65.5 -93.5 -29.8 32.7 102.2 69.1 385 119 B A H >< S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.746 82.9 76.3 -65.0 -23.2 35.7 104.0 67.6 386 120 B V G >< S+ 0 0 1 -4,-1.8 3,-2.0 1,-0.3 5,-0.5 0.590 71.1 87.0 -65.3 -5.5 37.0 105.0 71.1 387 121 B G G X S+ 0 0 1 -3,-1.7 3,-2.0 1,-0.3 -1,-0.3 0.742 70.5 75.7 -63.5 -19.2 38.1 101.4 71.3 388 122 B I G < S+ 0 0 7 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.619 80.2 70.8 -68.0 -9.7 41.3 102.7 69.7 389 123 B T G < S- 0 0 0 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.603 111.4-119.4 -79.8 -12.4 42.2 104.2 73.1 390 124 B G S < S+ 0 0 6 -3,-2.0 2,-0.4 1,-0.3 125,-0.1 0.413 71.4 133.7 88.4 -3.9 42.8 100.7 74.4 391 125 B L - 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