==== 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 2PB5 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,M.TAKETA,N.ONO,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUC . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.0 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 . 1 0.2 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 . 76 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 5 0 0 0 4 2 1 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 4 2 3 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 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 0 141 0, 0.0 106,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -12.5 55.9 97.2 56.0 2 2 A V E -a 107 0A 7 104,-0.1 78,-3.0 72,-0.1 2,-0.4 -0.755 360.0-125.8-124.0 170.1 52.8 97.8 58.1 3 3 A L E -ab 108 80A 0 104,-2.6 106,-2.5 -2,-0.2 2,-0.6 -0.960 16.8-156.7-119.4 133.1 49.9 95.9 59.6 4 4 A Y E -ab 109 81A 30 76,-3.1 78,-3.2 -2,-0.4 2,-0.8 -0.919 6.5-158.4-109.9 115.2 46.2 96.8 59.1 5 5 A F E -ab 110 82A 0 104,-3.5 106,-3.4 -2,-0.6 2,-0.5 -0.844 26.3-176.8 -84.4 111.5 43.5 95.7 61.6 6 6 A I E -ab 111 83A 0 76,-2.2 78,-1.6 -2,-0.8 2,-0.2 -0.927 18.2-144.4-120.1 123.3 40.4 96.0 59.4 7 7 A G E - b 0 84A 0 104,-2.6 10,-0.5 -2,-0.5 80,-0.2 -0.518 2.0-158.6 -80.9 146.5 36.8 95.4 60.5 8 8 A L - 0 0 2 76,-2.7 7,-0.3 78,-0.4 3,-0.2 0.489 39.7-122.2-102.7 -8.7 34.4 93.7 58.1 9 9 A G B -E 86 0B 0 77,-1.5 77,-2.9 75,-0.4 -1,-0.3 -0.381 33.0 -55.6 100.5-178.9 31.1 94.9 59.7 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.2 -1,-0.2 0.887 111.2 -2.5 -75.4 -46.3 27.9 93.4 61.1 11 11 A Y S S+ 0 0 51 1,-0.3 30,-2.1 28,-0.2 31,-0.4 0.783 114.4 9.2-122.4 -59.1 26.3 91.0 58.6 12 12 A D S > S- 0 0 18 29,-0.2 3,-2.2 198,-0.2 -1,-0.3 -0.773 79.3 -87.5-129.6 176.9 27.9 90.7 55.1 13 13 A E G > S+ 0 0 36 1,-0.3 3,-1.0 -2,-0.2 271,-0.2 0.699 118.5 65.1 -59.3 -21.2 31.0 91.6 53.1 14 14 A R G 3 S+ 0 0 57 1,-0.2 271,-2.8 270,-0.1 272,-0.3 0.510 80.8 79.9 -82.0 -1.7 29.5 94.9 52.1 15 15 A D G < S+ 0 0 1 -3,-2.2 -1,-0.2 -7,-0.3 -5,-0.2 0.458 70.8 103.6 -82.1 0.6 29.5 96.1 55.7 16 16 A I S < S- 0 0 0 -3,-1.0 268,-2.5 97,-0.1 269,-0.3 -0.512 81.8-109.7 -77.0 150.6 33.2 96.9 55.3 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.4 95,-0.4 266,-0.3 -0.464 20.9-116.7 -79.3 157.8 34.0 100.6 54.9 18 18 A V H > S+ 0 0 9 264,-2.5 4,-2.6 262,-0.4 5,-0.2 0.896 119.0 54.3 -58.9 -39.6 35.2 101.9 51.5 19 19 A K H > S+ 0 0 2 261,-2.6 4,-1.9 263,-0.3 5,-0.2 0.937 108.5 48.2 -58.8 -48.0 38.5 102.8 53.2 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.4 92,-0.2 -2,-0.2 0.893 112.2 48.8 -61.5 -41.3 38.9 99.2 54.5 21 21 A L H X S+ 0 0 15 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.938 110.5 48.5 -65.8 -48.4 38.1 97.7 51.1 22 22 A E H X S+ 0 0 92 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.869 116.2 44.0 -61.6 -37.2 40.5 99.9 49.1 23 23 A I H >< S+ 0 0 20 -4,-1.9 3,-0.5 -5,-0.2 4,-0.2 0.901 113.1 50.8 -74.8 -40.6 43.4 99.3 51.6 24 24 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.879 103.9 59.1 -63.3 -39.0 42.6 95.5 51.8 25 25 A K H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 109.7 44.8 -59.0 -30.6 42.7 95.2 48.0 26 26 A K T << S+ 0 0 169 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.3 0.310 86.0 112.6 -99.1 6.9 46.2 96.5 48.1 27 27 A C < - 0 0 1 -3,-1.4 53,-0.2 -4,-0.2 3,-0.1 -0.599 62.0-141.7 -81.7 142.0 47.7 94.5 50.9 28 28 A D S S+ 0 0 80 51,-1.5 2,-0.4 -2,-0.3 52,-0.2 0.916 86.3 21.0 -68.0 -43.3 50.3 91.9 50.0 29 29 A Y E -c 80 0A 112 50,-1.6 52,-2.2 24,-0.1 2,-0.5 -0.975 69.0-158.6-129.9 142.7 49.0 89.3 52.5 30 30 A V E +c 81 0A 9 24,-0.5 26,-2.2 -2,-0.4 2,-0.3 -0.969 12.3 173.9-128.5 120.6 45.6 88.9 54.2 31 31 A F E +cd 82 56A 12 50,-3.2 52,-2.9 -2,-0.5 2,-0.3 -0.738 8.0 173.4-114.1 166.7 44.8 87.1 57.4 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.5 50,-0.3 2,-0.3 -0.986 21.6-145.0-166.1 164.6 41.5 86.9 59.3 33 33 A E E - d 0 58A 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.981 7.9-176.9-137.2 146.5 39.6 85.4 62.2 34 34 A F + 0 0 57 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.162 64.2 88.8-136.2 39.1 36.0 84.5 62.4 35 35 A Y S S+ 0 0 18 23,-0.1 135,-0.4 1,-0.1 3,-0.1 0.575 75.1 64.9-110.6 -15.6 35.7 83.2 66.0 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.654 118.7 -11.0 -83.0 -14.1 34.9 86.5 67.8 37 37 A S - 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.967 69.1-104.1-167.7 177.0 31.6 86.9 66.1 38 38 A L - 0 0 36 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.974 10.5-162.1-123.2 125.5 29.3 85.7 63.3 39 39 A M > - 0 0 13 -2,-0.5 3,-1.2 1,-0.1 -28,-0.2 -0.840 16.7-174.2-102.5 91.7 28.7 87.5 60.0 40 40 A A T 3 S+ 0 0 38 -2,-1.0 -1,-0.1 -30,-0.4 -28,-0.1 0.609 70.9 56.2 -65.5 -16.0 25.5 85.6 59.1 41 41 A G T 3 S+ 0 0 16 -30,-2.1 2,-0.3 -31,-0.1 -1,-0.2 0.285 104.1 43.9-104.2 13.6 25.1 87.0 55.6 42 42 A T < - 0 0 21 -3,-1.2 2,-0.3 -31,-0.4 -3,-0.1 -0.837 60.6-139.0-144.1-179.4 28.4 86.2 53.9 43 43 A T > - 0 0 71 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.919 35.0-106.1-139.1 164.1 31.0 83.5 53.3 44 44 A L H > S+ 0 0 64 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.925 120.2 55.0 -57.8 -44.1 34.8 83.5 53.1 45 45 A G H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.904 106.9 48.7 -56.2 -45.8 34.6 83.1 49.4 46 46 A R H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 112.6 48.8 -62.3 -41.3 32.4 86.1 49.0 47 47 A I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.938 112.3 48.4 -63.6 -46.1 34.8 88.1 51.1 48 48 A Q H X>S+ 0 0 49 -4,-3.1 4,-2.5 1,-0.2 5,-1.2 0.915 110.9 51.1 -59.6 -43.9 37.8 86.9 49.1 49 49 A K H <5S+ 0 0 186 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.911 111.3 48.1 -60.4 -43.6 36.1 87.7 45.9 50 50 A L H <5S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.905 119.4 37.0 -64.9 -44.3 35.3 91.3 47.1 51 51 A I H <5S- 0 0 5 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.733 102.8-133.2 -80.7 -23.0 38.9 92.0 48.3 52 52 A G T <5 + 0 0 58 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.797 68.2 103.5 74.7 29.3 40.4 90.0 45.4 53 53 A K S - 0 0 35 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.369 35.1 -99.2 -87.4 171.8 42.0 80.1 64.9 60 60 A R H > S+ 0 0 105 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.888 126.2 49.3 -59.6 -38.6 41.9 81.6 68.4 61 61 A E H >>S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 5,-0.9 0.921 106.5 54.4 -67.7 -43.3 45.0 79.7 69.3 62 62 A D H >5S+ 0 0 45 3,-0.2 4,-1.1 2,-0.2 7,-0.3 0.927 118.7 37.0 -54.2 -45.2 46.8 80.8 66.2 63 63 A V H X5S+ 0 0 2 -4,-2.2 4,-1.8 3,-0.2 5,-0.2 0.986 120.2 40.8 -71.5 -64.3 46.1 84.4 67.2 64 64 A E H <5S+ 0 0 66 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.833 132.4 24.6 -59.1 -35.2 46.4 84.4 71.0 65 65 A L H <5S+ 0 0 107 -4,-2.3 -1,-0.2 -5,-0.4 -3,-0.2 0.732 136.3 24.9-103.1 -24.7 49.4 82.2 71.1 66 66 A N H >XS+ 0 0 0 -4,-1.8 4,-2.2 1,-0.3 5,-1.5 0.933 85.8 48.6 -53.5 -48.6 50.1 86.1 66.2 68 68 A E H 345S+ 0 0 75 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.527 115.2 46.4 -70.0 -5.7 53.7 87.3 66.3 69 69 A N H <45S+ 0 0 102 -3,-1.7 -1,-0.2 -7,-0.3 -2,-0.2 0.619 124.2 27.9-107.7 -21.8 54.8 84.0 64.6 70 70 A I H <5S+ 0 0 26 -4,-2.0 4,-0.2 -3,-0.4 -3,-0.2 0.823 132.4 21.5-106.3 -48.3 52.2 83.9 61.9 71 71 A V T >X5S+ 0 0 0 -4,-2.2 3,-1.7 -5,-0.4 4,-0.9 0.940 115.9 54.5 -89.3 -57.4 51.1 87.5 61.1 72 72 A L G >44 S+ 0 0 55 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.822 103.3 52.1 -56.3 -28.3 56.7 88.2 60.3 74 74 A M G X> S+ 0 0 63 -3,-1.7 4,-1.7 1,-0.2 3,-0.6 0.791 97.6 64.4 -77.8 -28.3 54.9 89.1 57.1 75 75 A A G << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.8 32,-0.2 0.506 89.1 71.7 -73.9 -3.7 54.5 92.7 58.0 76 76 A K G <4 S+ 0 0 102 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.880 115.3 17.7 -79.4 -38.8 58.3 93.1 57.9 77 77 A E T <4 S+ 0 0 166 -3,-0.6 2,-0.3 -4,-0.4 -2,-0.2 0.565 131.5 30.1-107.8 -13.4 58.6 92.8 54.1 78 78 A N S < S- 0 0 44 -4,-1.7 2,-0.6 -77,-0.1 -51,-0.1 -0.860 83.2 -94.4-141.1 173.3 55.0 93.5 53.1 79 79 A D - 0 0 48 -2,-0.3 -50,-1.6 -78,-0.2 -51,-1.5 -0.821 47.3-164.9 -90.7 123.9 51.7 95.3 53.9 80 80 A V E -bc 3 29A 0 -78,-3.0 -76,-3.1 -2,-0.6 2,-0.4 -0.889 11.9-158.1-117.9 145.2 49.5 92.9 55.9 81 81 A A E -bc 4 30A 0 -52,-2.2 -50,-3.2 -2,-0.4 2,-0.5 -0.929 3.0-164.2-119.8 143.2 45.9 93.0 56.8 82 82 A F E -bc 5 31A 0 -78,-3.2 -76,-2.2 -2,-0.4 -50,-0.3 -0.949 18.1-159.4-127.0 106.8 44.1 91.2 59.6 83 83 A L E +bc 6 32A 0 -52,-2.9 -50,-1.7 -2,-0.5 -76,-0.2 -0.610 13.6 173.8 -91.3 148.7 40.3 91.1 59.1 84 84 A T E -b 7 0A 0 -78,-1.6 -76,-2.7 -2,-0.2 -75,-0.4 -0.972 36.7 -95.4-147.2 158.2 37.7 90.5 61.8 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.349 92.7 -10.9 -69.1 159.8 33.9 90.6 62.1 86 86 A G B S-E 9 0B 1 -77,-2.9 -77,-1.5 -79,-0.1 -78,-0.4 -0.159 129.8 -16.1 50.1-139.5 32.4 93.9 63.3 87 87 A D > - 0 0 0 446,-2.7 3,-1.3 -80,-0.2 25,-0.1 -0.857 67.7-132.6 -96.5 131.2 34.9 96.3 64.6 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.740 100.8 41.3 -54.5 -29.1 38.3 94.6 65.4 89 89 A L T > S+ 0 0 9 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.430 88.0 104.1-103.2 0.5 38.8 96.1 68.9 90 90 A V T < S- 0 0 0 -3,-1.3 -3,-0.1 443,-0.3 3,-0.1 -0.749 102.2 -19.3 -91.3 117.6 35.2 95.9 70.3 91 91 A A T 3 S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.880 117.8 97.2 56.5 39.7 34.6 93.1 72.8 92 92 A T S < S- 0 0 23 -3,-0.5 -1,-0.3 441,-0.1 3,-0.2 -0.827 80.4-124.7-140.0 174.5 37.7 91.2 71.6 93 93 A T S > S+ 0 0 86 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 0.111 77.5 113.6-110.7 19.0 41.2 91.2 73.1 94 94 A H T > + 0 0 0 -6,-0.4 3,-1.4 1,-0.2 4,-0.5 0.726 57.5 74.9 -63.3 -24.0 42.7 92.2 69.8 95 95 A A T >> S+ 0 0 16 1,-0.3 3,-1.9 -3,-0.2 4,-0.6 0.894 89.6 59.1 -56.2 -39.7 43.8 95.6 71.1 96 96 A E H X> S+ 0 0 49 -3,-1.0 4,-1.5 1,-0.3 3,-0.7 0.766 91.4 70.6 -61.3 -23.8 46.6 93.9 72.9 97 97 A L H <> S+ 0 0 3 -3,-1.4 4,-1.9 -4,-0.4 -1,-0.3 0.769 89.3 61.4 -65.6 -23.8 47.8 92.6 69.5 98 98 A R H <> S+ 0 0 27 -3,-1.9 4,-2.3 -4,-0.5 -1,-0.3 0.831 100.7 53.3 -70.5 -31.5 48.8 96.2 68.7 99 99 A I H <>S+ 0 0 0 -4,-1.9 5,-2.8 1,-0.2 3,-0.7 0.938 109.3 49.7 -61.4 -47.2 53.1 94.6 66.8 102 102 A K H ><5S+ 0 0 102 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.926 107.8 53.2 -58.3 -46.4 54.9 97.5 68.4 103 103 A R H 3<5S+ 0 0 155 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.742 108.3 51.2 -63.0 -21.5 57.3 95.2 70.2 104 104 A A T <<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.314 120.9-109.3 -96.2 7.4 58.2 93.5 66.9 105 105 A G T < 5S+ 0 0 56 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.831 74.4 137.8 69.8 32.6 58.9 96.9 65.3 106 106 A V < - 0 0 4 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.950 49.0-138.0-116.2 119.9 55.7 96.7 63.2 107 107 A E E -a 2 0A 122 -106,-0.5 -104,-2.6 -2,-0.5 2,-0.3 -0.500 24.5-161.6 -72.1 141.6 53.5 99.8 62.7 108 108 A S E -a 3 0A 15 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.944 10.5-165.3-129.1 150.4 49.8 99.1 62.9 109 109 A Y E -a 4 0A 50 -106,-2.5 -104,-3.5 -2,-0.3 2,-0.5 -0.966 12.7-139.4-132.3 150.1 46.7 100.9 61.7 110 110 A V E -a 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.941 9.6-169.5-116.7 124.8 43.0 100.4 62.6 111 111 A I E -a 6 0A 4 -106,-3.4 -104,-2.6 -2,-0.5 -94,-0.1 -0.948 21.7-146.1-111.9 111.7 40.2 100.6 60.1 112 112 A H - 0 0 8 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.186 16.2-173.9 -71.6 166.3 36.9 100.6 61.9 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.935 45.0 -62.0-152.2 164.4 33.6 99.0 60.7 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.310 58.0-158.1 -57.2 137.4 30.0 99.0 62.0 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-0.9 -0.866 29.4-125.4-119.2 152.1 29.8 97.3 65.4 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.811 108.1 70.0 -63.2 -26.9 27.0 95.6 67.3 117 117 A Y H 34 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.856 111.3 27.5 -61.1 -35.9 27.9 98.0 70.2 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-2.1 1,-0.1 -1,-0.2 0.717 107.9 73.4 -96.9 -24.3 26.6 101.1 68.2 119 119 A A H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 -2,-0.2 0.693 73.7 84.9 -63.0 -14.9 24.1 99.2 66.2 120 120 A V G ><> + 0 0 1 -4,-0.9 3,-2.5 1,-0.3 5,-0.5 0.734 69.8 82.6 -59.7 -17.0 22.0 98.9 69.4 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.812 75.6 68.6 -56.0 -29.7 20.7 102.3 68.3 122 122 A I G < 5S+ 0 0 7 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.593 85.8 70.5 -68.4 -7.4 18.3 100.6 66.0 123 123 A T G < 5S- 0 0 0 -3,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.555 109.6-119.0 -84.1 -9.3 16.4 99.3 69.1 124 124 A G T < 5S+ 0 0 2 -3,-1.9 2,-0.4 1,-0.3 125,-0.2 0.321 73.4 130.2 89.1 -10.4 15.2 102.8 69.9 125 125 A L S - 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0 0 7 76,-3.0 7,-0.2 1,-0.3 79,-0.1 0.489 38.3-137.7 -94.4 -7.0 28.7 108.2 56.8 275 9 B G B -R 352 0I 1 77,-2.0 77,-3.5 75,-0.4 -1,-0.3 -0.450 35.3 -43.5 86.2-158.9 31.1 106.8 59.4 276 10 B L S S- 0 0 30 5,-0.2 30,-0.3 75,-0.2 -1,-0.1 0.959 106.8 -10.8 -82.6 -62.6 33.8 108.6 61.4 277 11 B Y S S+ 0 0 43 1,-0.2 30,-2.0 28,-0.1 31,-0.3 0.822 107.0 15.5-121.7 -54.7 36.2 111.0 59.5 278 12 B D S > S- 0 0 22 29,-0.2 3,-1.9 28,-0.1 -1,-0.2 -0.640 82.4 -82.5-125.1-174.8 36.2 111.2 55.7 279 13 B E G > S+ 0 0 49 1,-0.3 3,-0.5 28,-0.3 -261,-0.1 0.635 121.0 60.6 -65.6 -14.5 34.2 110.3 52.6 280 14 B R G 3 S+ 0 0 61 1,-0.2 -261,-2.6 -262,-0.1 -262,-0.4 0.405 82.6 83.0 -93.0 4.2 35.7 106.7 52.6 281 15 B D G < + 0 0 6 -3,-1.9 -1,-0.2 -7,-0.2 -5,-0.2 0.488 67.6 95.9 -86.2 -2.0 34.2 105.9 56.0 282 16 B I S < S- 0 0 2 -3,-0.5 -264,-2.5 -7,-0.1 -263,-0.3 -0.510 84.4-108.8 -78.9 155.2 30.8 105.1 54.5 283 17 B T B > -F 17 0C 0 -10,-0.5 4,-2.7 -266,-0.3 -266,-0.3 -0.482 18.8-113.8 -86.5 161.8 30.4 101.3 54.0 284 18 B V H > S+ 0 0 10 -268,-2.5 4,-2.6 -270,-0.3 5,-0.2 0.915 121.1 50.9 -56.5 -43.6 30.3 99.6 50.6 285 19 B K H > S+ 0 0 2 -271,-2.8 4,-2.3 -269,-0.3 -1,-0.2 0.930 110.6 48.7 -59.8 -46.6 26.7 98.7 51.3 286 20 B G H > S+ 0 0 0 -272,-0.3 4,-2.3 92,-0.2 -2,-0.2 0.886 112.2 47.8 -62.0 -41.7 25.9 102.3 52.1 287 21 B L H X S+ 0 0 21 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.938 112.7 47.1 -66.2 -48.4 27.6 103.7 49.0 288 22 B E H X S+ 0 0 82 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.893 114.4 47.5 -62.5 -39.4 25.9 101.3 46.6 289 23 B I H >X S+ 0 0 12 -4,-2.3 3,-0.9 -5,-0.2 4,-0.5 0.924 110.2 52.2 -67.8 -43.2 22.5 101.9 48.2 290 24 B A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.911 104.8 56.9 -58.1 -42.8 23.0 105.7 48.1 291 25 B K H 3< S+ 0 0 109 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.758 105.4 51.6 -60.6 -25.5 23.9 105.5 44.4 292 26 B K H << S+ 0 0 139 -3,-0.9 -1,-0.3 -4,-0.8 2,-0.2 0.505 90.1 101.1 -89.7 -6.3 20.5 103.8 43.7 293 27 B C << - 0 0 1 -3,-1.6 53,-0.2 -4,-0.5 3,-0.1 -0.578 62.6-150.2 -83.3 143.3 18.5 106.5 45.5 294 28 B D S S+ 0 0 87 51,-1.9 2,-0.4 -2,-0.2 52,-0.2 0.825 85.8 31.2 -78.6 -34.1 16.7 109.2 43.6 295 29 B Y E -p 346 0H 106 50,-1.4 52,-2.2 24,-0.1 2,-0.4 -0.976 68.0-165.0-128.6 141.1 17.0 111.7 46.3 296 30 B V E +p 347 0H 7 24,-0.4 26,-2.4 -2,-0.4 2,-0.3 -0.975 8.2 178.9-131.9 119.7 19.7 112.1 48.9 297 31 B F E +pq 348 322H 9 50,-3.3 52,-3.3 -2,-0.4 2,-0.3 -0.772 4.1 179.2-112.8 160.6 19.4 114.2 52.1 298 32 B A E -pq 349 323H 0 24,-1.7 26,-2.7 -2,-0.3 2,-0.4 -0.974 15.4-149.1-154.8 162.5 22.0 114.7 54.8 299 33 B E E + q 0 324H 0 50,-1.5 26,-0.1 -2,-0.3 4,-0.1 -0.997 12.3 178.4-138.6 141.3 22.5 116.5 58.1 300 34 B F + 0 0 32 24,-0.6 25,-0.1 -2,-0.4 50,-0.1 -0.114 61.2 93.0-133.4 36.4 25.6 117.9 59.7 301 35 B Y S S+ 0 0 10 23,-0.2 135,-0.4 135,-0.1 3,-0.1 0.637 84.0 52.0-101.6 -19.8 24.3 119.5 62.8 302 36 B T S S- 0 0 44 1,-0.4 2,-0.3 133,-0.1 -2,-0.1 0.774 132.9 -26.5 -84.0 -28.0 24.8 116.4 65.1 303 37 B S - 0 0 43 -4,-0.1 -1,-0.4 49,-0.0 2,-0.3 -0.964 62.3-122.2-172.9 168.0 28.4 116.2 63.9 304 38 B L - 0 0 19 -2,-0.3 2,-1.3 -3,-0.1 3,-0.1 -0.889 22.7-120.7-124.5 155.1 30.7 117.1 61.0 305 39 B M > - 0 0 14 -2,-0.3 3,-1.8 1,-0.2 -28,-0.1 -0.758 32.7-175.7 -93.8 87.3 33.0 115.0 58.9 306 40 B A T 3 S+ 0 0 45 -2,-1.3 -1,-0.2 -30,-0.3 -28,-0.1 0.677 75.4 57.6 -60.4 -20.0 36.2 116.8 59.7 307 41 B G T 3 S+ 0 0 19 -30,-2.0 -1,-0.3 -31,-0.1 -28,-0.3 0.319 114.2 22.7 -96.3 10.9 38.3 114.8 57.3 308 42 B T S < S- 0 0 15 -3,-1.8 2,-0.3 -31,-0.3 3,-0.1 -0.806 71.6-116.0-153.0-168.4 36.3 115.6 54.2 309 43 B T > - 0 0 70 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.928 30.7-110.5-138.4 162.9 33.9 118.1 52.6 310 44 B L H > S+ 0 0 65 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.915 120.6 56.4 -59.0 -39.4 30.3 118.0 51.3 311 45 B G H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 107.2 46.2 -60.1 -42.0 31.9 118.3 47.8 312 46 B R H > S+ 0 0 150 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 113.6 48.8 -70.3 -36.1 34.0 115.2 48.2 313 47 B I H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.937 112.6 48.0 -67.9 -45.5 31.1 113.2 49.6 314 48 B Q H X>S+ 0 0 61 -4,-3.1 4,-2.3 1,-0.2 5,-1.1 0.913 111.6 51.2 -59.9 -42.5 28.9 114.3 46.8 315 49 B K H <5S+ 0 0 175 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.927 111.4 47.1 -60.7 -47.1 31.6 113.4 44.3 316 50 B L H <5S+ 0 0 50 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 118.2 39.9 -63.4 -43.7 32.0 109.9 45.8 317 51 B I H <5S- 0 0 3 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.773 98.9-139.1 -78.5 -24.4 28.3 109.2 45.9 318 52 B G T <5 + 0 0 59 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.893 66.4 104.5 67.6 39.7 27.7 110.8 42.5 319 53 B K S - 0 0 57 -2,-0.4 4,-2.0 -26,-0.1 5,-0.2 -0.277 35.2 -97.4 -83.3 174.9 19.2 121.9 59.3 326 60 B R H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.890 127.3 47.5 -60.0 -41.1 18.3 120.7 62.7 327 61 B E H >>S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 5,-1.3 0.886 105.6 57.8 -68.6 -39.3 14.9 122.3 62.3 328 62 B D H >5S+ 0 0 39 3,-0.2 4,-0.7 2,-0.2 7,-0.2 0.922 117.6 34.9 -54.7 -45.1 14.4 120.8 58.9 329 63 B V H X5S+ 0 0 1 -4,-2.0 4,-1.6 3,-0.2 -2,-0.2 0.989 122.6 39.9 -73.9 -63.7 14.8 117.4 60.5 330 64 B E H <5S+ 0 0 73 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.833 131.2 26.0 -58.7 -37.8 13.2 117.7 63.9 331 65 B L H <5S+ 0 0 101 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.858 135.7 21.9 -96.3 -39.2 10.3 119.9 62.8 332 66 B N H >XS+ 0 0 0 -4,-1.6 4,-1.7 1,-0.3 5,-1.6 0.897 83.0 51.4 -51.1 -43.0 11.2 115.6 58.4 334 68 B E H 345S+ 0 0 80 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.638 112.7 44.9 -72.1 -14.1 7.8 114.4 57.3 335 69 B N H <45S+ 0 0 108 -3,-1.6 -1,-0.2 -7,-0.2 -2,-0.2 0.595 124.7 29.7-103.0 -14.5 7.3 117.4 54.9 336 70 B I H <5S+ 0 0 24 -4,-1.6 4,-0.5 -3,-0.4 -3,-0.2 0.815 131.2 20.9-108.4 -54.7 10.8 117.3 53.3 337 71 B V T >X5S+ 0 0 0 -4,-1.7 4,-0.8 -5,-0.3 3,-0.6 0.948 117.6 53.8 -84.2 -54.1 12.1 113.8 53.3 338 72 B L G >44 S+ 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.911 104.3 51.3 -57.0 -41.1 7.1 112.9 50.7 340 74 B M G X4 S+ 0 0 63 -3,-0.6 3,-0.6 -4,-0.5 4,-0.3 0.740 100.6 65.2 -66.5 -23.2 9.9 112.0 48.2 341 75 B A G << S+ 0 0 0 -3,-0.8 -1,-0.3 -4,-0.8 32,-0.2 0.402 83.0 78.2 -82.0 3.6 10.0 108.5 49.6 342 76 B K G < S+ 0 0 107 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.847 114.8 10.5 -80.7 -34.9 6.5 107.7 48.3 343 77 B E S < S+ 0 0 173 -3,-0.6 2,-0.3 -4,-0.4 -2,-0.2 0.117 129.4 44.4-130.2 20.8 7.5 107.2 44.7 344 78 B N S S- 0 0 46 -4,-0.3 -76,-0.9 -49,-0.0 2,-0.5 -0.956 84.4-100.3-153.9 166.7 11.3 107.0 44.9 345 79 B D E -n 268 0H 52 -2,-0.3 -51,-1.9 -53,-0.2 -50,-1.4 -0.848 44.5-164.2 -94.0 129.7 14.0 105.5 47.0 346 80 B V E -np 269 295H 0 -78,-3.2 -76,-3.4 -2,-0.5 2,-0.4 -0.914 10.0-155.5-120.1 146.5 15.4 108.1 49.4 347 81 B A E -np 270 296H 0 -52,-2.2 -50,-3.3 -2,-0.4 2,-0.5 -0.927 4.4-165.2-120.4 143.6 18.5 108.3 51.5 348 82 B F E -np 271 297H 0 -78,-2.7 -76,-2.1 -2,-0.4 2,-0.3 -0.949 17.3-158.9-128.2 105.9 19.2 110.3 54.7 349 83 B L E +np 272 298H 0 -52,-3.3 -50,-1.5 -2,-0.5 -76,-0.2 -0.689 14.0 174.3 -90.9 138.9 22.9 110.5 55.4 350 84 B T E -n 273 0H 3 -78,-1.8 -76,-3.0 -2,-0.3 -75,-0.4 -0.989 37.1-101.6-140.9 147.7 24.3 111.2 58.9 351 85 B P S S- 0 0 13 0, 0.0 -75,-0.2 0, 0.0 2,-0.2 -0.352 91.9 -0.1 -63.9 151.4 27.8 111.2 60.3 352 86 B G B S-R 275 0I 14 -77,-3.5 -77,-2.0 -79,-0.1 29,-0.2 -0.460 122.4 -18.5 73.7-140.6 28.7 108.1 62.3 353 87 B D S > S- 0 0 3 -80,-0.2 3,-1.4 -2,-0.2 4,-0.4 -0.892 76.1-108.1-107.6 131.0 26.1 105.3 62.7 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.170 100.4 22.7 -56.0 151.5 22.4 106.1 62.0 355 89 B L T 3 S+ 0 0 6 1,-0.1 -228,-0.3 -233,-0.1 6,-0.2 0.533 90.6 105.9 68.8 7.0 20.1 106.3 65.1 356 90 B V < + 0 0 24 -3,-1.4 -229,-0.4 -230,-0.1 -228,-0.2 0.929 58.6 83.7 -78.2 -49.7 23.0 107.0 67.5 357 91 B A S >> S- 0 0 28 -4,-0.4 3,-1.9 1,-0.1 4,-0.6 -0.329 95.3-118.6 -54.9 127.9 21.9 110.6 67.8 358 92 B T T 34 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.761 105.6 41.9 -39.4 -47.4 19.2 110.6 70.5 359 93 B T T 34 S+ 0 0 66 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.546 94.3 81.3 -86.5 -5.8 16.3 112.0 68.4 360 94 B H T X> S+ 0 0 3 -3,-1.9 3,-1.6 1,-0.2 4,-0.5 0.860 78.9 64.3 -70.2 -36.2 16.9 110.0 65.2 361 95 B A H >X S+ 0 0 7 -4,-0.6 3,-2.0 -3,-0.3 4,-0.7 0.914 96.6 60.4 -53.0 -42.4 15.3 106.7 66.2 362 96 B E H >> S+ 0 0 49 -4,-0.3 4,-1.8 1,-0.3 3,-0.6 0.766 89.5 72.0 -57.6 -24.7 11.9 108.6 66.4 363 97 B L H <> S+ 0 0 3 -3,-1.6 4,-1.8 -4,-0.4 -1,-0.3 0.789 91.1 57.7 -62.5 -27.9 12.3 109.5 62.7 364 98 B R H <>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 3,-0.7 0.956 109.3 49.2 -60.1 -50.8 8.2 107.0 58.5 368 102 B K H ><5S+ 0 0 103 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.936 108.5 53.3 -53.3 -50.4 5.9 104.3 59.6 369 103 B R H 3<5S+ 0 0 169 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.788 108.7 51.2 -56.2 -29.5 3.1 106.8 60.3 370 104 B A T <<5S- 0 0 37 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.353 118.6-111.0 -91.5 5.8 3.6 108.0 56.7 371 105 B G T < 5S+ 0 0 48 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.798 74.1 137.7 70.1 27.6 3.3 104.6 55.2 372 106 B V < - 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