==== 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 31-AUG-06 2DXV . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUCTURAL . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.4 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 . 48 9.0 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 25.2 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 6 0 1 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 0 2 5 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 PARALLEL BRIDGES PER LADDER . 5 2 2 2 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 0 136 0, 0.0 2,-0.3 0, 0.0 106,-0.3 0.000 360.0 360.0 360.0 59.1 55.5 97.5 54.5 2 2 A V E -a 79 0A 11 76,-1.9 78,-2.9 72,-0.1 2,-0.5 -0.951 360.0-130.7-171.5 155.5 52.4 98.0 56.6 3 3 A L E -ab 80 108A 0 104,-2.4 106,-2.3 -2,-0.3 2,-0.4 -0.981 18.9-163.5-121.7 126.2 49.7 96.0 58.3 4 4 A Y E -ab 81 109A 33 76,-2.6 78,-2.8 -2,-0.5 2,-0.7 -0.918 10.4-154.9-110.4 132.3 46.0 97.0 58.0 5 5 A F E -ab 82 110A 0 104,-2.9 106,-3.1 -2,-0.4 2,-0.5 -0.933 25.8-175.4-102.4 111.5 43.2 95.8 60.3 6 6 A I E -ab 83 111A 0 76,-2.4 78,-1.7 -2,-0.7 2,-0.2 -0.945 18.0-142.3-119.5 123.9 40.1 96.0 58.1 7 7 A G E -a 84 0A 0 104,-2.2 10,-0.5 -2,-0.5 80,-0.2 -0.538 3.4-160.5 -79.9 145.6 36.6 95.3 59.3 8 8 A L - 0 0 3 76,-2.8 7,-0.3 78,-0.3 3,-0.2 0.495 40.0-130.2-101.7 -8.9 34.2 93.6 56.8 9 9 A G B -E 86 0B 1 77,-1.7 77,-3.6 75,-0.4 -1,-0.3 -0.360 32.6 -47.1 95.7-173.4 31.0 94.7 58.5 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.2 0.822 110.6 -6.9 -73.3 -43.8 27.8 93.1 59.8 11 11 A Y S S+ 0 0 55 1,-0.3 30,-2.5 -3,-0.2 31,-0.3 0.737 112.3 13.4-129.7 -48.9 26.3 90.7 57.2 12 12 A D S > S- 0 0 17 29,-0.2 3,-2.2 28,-0.1 -1,-0.3 -0.810 79.1 -88.7-133.0 175.7 27.8 90.6 53.7 13 13 A E G > S+ 0 0 38 1,-0.3 3,-0.9 -2,-0.3 271,-0.2 0.689 117.9 63.9 -58.7 -20.4 30.8 91.5 51.7 14 14 A R G 3 S+ 0 0 67 1,-0.2 271,-2.8 270,-0.1 272,-0.3 0.439 81.4 80.6 -86.1 2.3 29.4 94.9 50.8 15 15 A D G < + 0 0 2 -3,-2.2 -1,-0.2 -7,-0.3 -5,-0.2 0.475 69.3 103.5 -83.9 -3.5 29.4 96.0 54.4 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.5 -4,-0.1 269,-0.3 -0.501 83.4-108.0 -69.1 149.0 33.1 96.8 54.1 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.476 21.0-117.4 -77.8 155.9 33.7 100.5 53.8 18 18 A V H > S+ 0 0 12 264,-2.5 4,-2.9 262,-0.3 5,-0.2 0.918 118.7 54.4 -56.4 -40.7 34.8 101.9 50.4 19 19 A K H > S+ 0 0 15 261,-2.6 4,-1.8 263,-0.3 -1,-0.2 0.929 108.6 47.3 -57.9 -47.5 38.1 102.9 52.1 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.6 92,-0.2 -1,-0.2 0.879 112.9 49.0 -63.7 -38.4 38.6 99.4 53.3 21 21 A L H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.960 110.5 49.0 -66.4 -51.0 37.9 97.9 49.9 22 22 A E H X S+ 0 0 66 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.819 116.1 44.2 -60.2 -31.7 40.2 100.3 48.0 23 23 A I H >X S+ 0 0 28 -4,-1.8 3,-0.9 -5,-0.2 4,-0.5 0.919 112.2 50.9 -78.4 -44.4 43.0 99.6 50.5 24 24 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.888 103.9 60.1 -58.7 -40.8 42.5 95.8 50.5 25 25 A K H 3< S+ 0 0 84 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.772 108.4 44.5 -58.7 -28.9 42.5 95.7 46.7 26 26 A K H << S+ 0 0 151 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.424 88.4 110.4 -98.5 -0.2 46.0 97.1 46.7 27 27 A C << - 0 0 3 -3,-1.3 53,-0.2 -4,-0.5 3,-0.1 -0.426 62.7-141.6 -75.5 152.3 47.5 95.0 49.4 28 28 A D S S+ 0 0 74 51,-2.4 2,-0.4 1,-0.2 52,-0.2 0.846 86.7 23.0 -80.3 -37.9 50.1 92.3 48.6 29 29 A Y E -c 80 0A 108 50,-1.7 52,-2.2 24,-0.1 2,-0.5 -0.994 67.9-161.6-133.3 138.4 48.8 89.7 51.1 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.4 -2,-0.4 2,-0.2 -0.971 11.5 174.5-127.2 120.9 45.4 89.3 52.6 31 31 A F E +cd 82 56A 6 50,-3.1 52,-2.9 -2,-0.5 2,-0.3 -0.721 5.6 176.8-113.9 167.5 44.6 87.3 55.8 32 32 A A E -cd 83 57A 0 24,-1.8 26,-3.3 50,-0.3 2,-0.3 -0.985 20.1-146.8-165.7 160.3 41.3 87.1 57.7 33 33 A E E - d 0 58A 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.980 7.7-177.0-133.2 144.7 39.6 85.4 60.6 34 34 A F + 0 0 58 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.104 63.1 88.0-134.0 36.5 36.0 84.4 60.8 35 35 A Y S S+ 0 0 16 23,-0.2 135,-0.4 1,-0.1 136,-0.1 0.606 75.3 65.3-108.0 -17.3 35.7 83.0 64.3 36 36 A T S S- 0 0 13 1,-0.1 2,-0.3 133,-0.1 -1,-0.1 0.741 118.0 -6.6 -78.3 -22.3 34.9 86.2 66.2 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.956 69.7-106.0-159.6 176.6 31.6 86.6 64.5 38 38 A L - 0 0 32 -2,-0.3 2,-1.0 -28,-0.1 -3,-0.1 -0.962 11.2-163.4-121.5 123.1 29.3 85.4 61.7 39 39 A M > - 0 0 15 -2,-0.5 3,-1.1 1,-0.1 -28,-0.2 -0.823 14.8-177.5-101.2 90.8 28.6 87.1 58.4 40 40 A A T 3 + 0 0 41 -2,-1.0 -28,-0.1 -30,-0.3 -1,-0.1 0.532 69.6 59.5 -69.9 -8.2 25.4 85.2 57.4 41 41 A G T 3 S+ 0 0 17 -30,-2.5 2,-0.2 -31,-0.1 -1,-0.2 0.284 104.0 33.6-108.3 14.2 25.0 86.9 54.1 42 42 A T < - 0 0 19 -3,-1.1 2,-0.3 -31,-0.3 3,-0.1 -0.809 62.3-131.0-148.9-172.2 28.2 86.1 52.2 43 43 A T > - 0 0 74 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.926 34.6-105.1-142.6 165.8 30.9 83.6 51.6 44 44 A L H > S+ 0 0 67 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.929 120.8 55.3 -59.0 -43.1 34.7 83.5 51.4 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 106.6 48.0 -56.4 -46.2 34.5 83.3 47.6 46 46 A R H > S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 113.0 48.3 -64.8 -37.2 32.3 86.4 47.3 47 47 A I H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.932 111.7 50.0 -68.2 -44.1 34.6 88.4 49.6 48 48 A Q H X>S+ 0 0 50 -4,-3.0 4,-1.5 1,-0.2 5,-1.3 0.899 110.3 51.2 -59.1 -41.7 37.7 87.2 47.6 49 49 A K H <5S+ 0 0 183 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.915 108.8 50.7 -62.6 -44.4 35.9 88.2 44.4 50 50 A L H <5S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.914 118.6 35.5 -61.7 -46.6 35.2 91.7 45.6 51 51 A I H <5S- 0 0 4 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.636 102.8-132.7 -83.9 -13.7 38.7 92.5 46.8 52 52 A G T <5 + 0 0 61 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.850 67.7 102.6 66.4 37.0 40.2 90.6 43.9 53 53 A K S - 0 0 38 -2,-0.3 4,-2.3 -26,-0.1 5,-0.2 -0.394 34.7 -98.6 -88.5 170.7 42.1 80.0 63.0 60 60 A R H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.898 126.6 48.2 -57.3 -40.7 41.8 81.3 66.6 61 61 A E H >>S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 5,-1.0 0.918 107.0 55.2 -66.8 -43.4 45.1 79.4 67.4 62 62 A D H >5S+ 0 0 46 3,-0.2 4,-1.2 2,-0.2 7,-0.2 0.931 117.8 36.7 -53.7 -47.2 46.9 80.8 64.3 63 63 A V H X5S+ 0 0 2 -4,-2.3 4,-1.8 3,-0.2 5,-0.2 0.991 121.2 39.9 -70.1 -64.6 46.0 84.3 65.5 64 64 A E H <5S+ 0 0 72 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.839 131.8 26.3 -58.5 -36.2 46.3 84.2 69.3 65 65 A L H <5S+ 0 0 105 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.2 0.816 136.2 22.2 -98.5 -33.6 49.4 82.0 69.3 66 66 A N H >XS+ 0 0 0 -4,-1.8 4,-2.1 1,-0.3 5,-1.6 0.924 85.4 50.4 -56.2 -43.3 50.0 86.1 64.6 68 68 A E H 345S+ 0 0 78 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.556 115.0 44.0 -71.9 -7.8 53.6 87.3 64.8 69 69 A N H <45S+ 0 0 104 -3,-1.6 -1,-0.2 -7,-0.2 -2,-0.2 0.675 123.8 30.9-106.8 -25.6 54.9 84.2 63.0 70 70 A I H <5S+ 0 0 27 -4,-2.3 4,-0.3 -8,-0.2 -3,-0.2 0.852 132.4 19.0-100.1 -46.8 52.3 84.0 60.2 71 71 A V T >X5S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.4 3,-1.1 0.930 115.3 56.1 -93.0 -57.3 51.2 87.6 59.5 72 72 A L H 3>4 S+ 0 0 60 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.908 107.7 43.3 -59.3 -39.5 56.8 88.6 58.9 74 74 A L H X> S+ 0 0 53 -3,-1.1 3,-1.3 -4,-0.3 4,-1.1 0.820 104.3 64.0 -73.5 -32.5 55.2 89.5 55.6 75 75 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 32,-0.2 0.604 90.2 70.6 -68.0 -10.3 54.1 92.9 56.7 76 76 A K T << S+ 0 0 98 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.779 118.3 14.7 -77.6 -26.7 57.8 93.8 57.1 77 77 A E T <4 S+ 0 0 143 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.2 0.295 127.6 45.8-129.0 6.7 58.4 93.9 53.3 78 78 A N S < S- 0 0 43 -4,-1.1 -76,-1.9 -76,-0.1 2,-0.7 -0.923 83.7-100.3-145.1 167.4 54.8 94.0 52.0 79 79 A D E -a 2 0A 54 -2,-0.3 -51,-2.4 -78,-0.3 -50,-1.7 -0.848 49.9-176.3 -92.1 115.9 51.5 95.7 52.4 80 80 A V E -ac 3 29A 0 -78,-2.9 -76,-2.6 -2,-0.7 2,-0.4 -0.904 14.8-160.3-120.1 145.9 49.3 93.2 54.3 81 81 A A E -ac 4 30A 0 -52,-2.2 -50,-3.1 -2,-0.4 2,-0.5 -0.930 5.3-159.7-123.6 147.8 45.7 93.3 55.4 82 82 A F E -ac 5 31A 0 -78,-2.8 -76,-2.4 -2,-0.4 2,-0.3 -0.979 18.3-157.3-127.3 112.7 44.0 91.3 58.1 83 83 A L E +ac 6 32A 0 -52,-2.9 -50,-1.9 -2,-0.5 -76,-0.2 -0.668 14.5 173.8 -95.6 147.6 40.2 91.1 57.7 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.8 -2,-0.3 -75,-0.4 -0.976 37.0 -95.4-146.5 157.4 37.6 90.5 60.4 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.348 92.0 -12.1 -69.3 158.5 33.8 90.4 60.6 86 86 A G B S-E 9 0B 1 -77,-3.6 -77,-1.7 -79,-0.1 -78,-0.3 -0.193 129.2 -14.2 52.4-137.2 32.2 93.7 61.9 87 87 A D > - 0 0 0 446,-2.6 3,-1.5 -80,-0.2 25,-0.1 -0.870 67.3-133.5 -98.0 130.4 34.7 96.1 63.4 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.690 100.5 41.9 -56.9 -22.5 38.1 94.5 64.1 89 89 A L T 3 S+ 0 0 8 444,-0.1 2,-0.6 5,-0.1 304,-0.3 0.231 88.8 100.5-112.9 14.0 38.5 95.9 67.6 90 90 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 1,-0.2 3,-0.1 -0.890 102.9 -15.9-105.4 120.1 35.0 95.5 69.0 91 91 A A S S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.843 117.8 97.5 59.2 33.1 34.3 92.6 71.3 92 92 A T S S- 0 0 21 -3,-0.2 -1,-0.3 441,-0.1 3,-0.2 -0.828 78.2-128.2-134.1 172.2 37.5 91.0 70.1 93 93 A T S > S+ 0 0 88 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 0.105 74.8 113.8-108.1 21.7 41.0 90.9 71.6 94 94 A H T >> + 0 0 1 -6,-0.4 3,-1.3 1,-0.2 4,-0.5 0.704 56.6 78.4 -66.9 -19.2 42.6 92.0 68.3 95 95 A A H >> S+ 0 0 18 1,-0.3 3,-2.0 -3,-0.2 4,-0.5 0.926 87.7 59.1 -55.8 -40.9 43.7 95.4 69.8 96 96 A E H X> S+ 0 0 55 -3,-1.0 4,-1.4 1,-0.3 3,-1.0 0.779 91.2 70.4 -58.9 -26.4 46.6 93.6 71.5 97 97 A L H <> S+ 0 0 2 -3,-1.3 4,-1.8 -4,-0.4 -1,-0.3 0.743 88.8 62.6 -64.9 -21.5 47.8 92.5 68.0 98 98 A R H S+ 0 0 0 -4,-1.8 5,-2.9 2,-0.2 3,-0.5 0.947 110.0 47.0 -62.2 -48.9 53.0 94.7 65.4 102 102 A K H ><5S+ 0 0 100 -4,-2.3 3,-3.0 1,-0.2 -2,-0.2 0.966 110.2 50.6 -57.1 -56.1 54.8 97.6 67.1 103 103 A R H 3<5S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.724 109.9 53.4 -57.7 -21.1 57.3 95.3 68.9 104 104 A A T 3<5S- 0 0 29 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.380 119.5-111.1 -94.1 2.6 58.0 93.7 65.5 105 105 A G T < 5S+ 0 0 65 -3,-3.0 2,-0.5 1,-0.2 -3,-0.2 0.758 74.2 134.7 77.5 23.4 58.7 97.0 63.8 106 106 A V < - 0 0 5 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.918 51.3-137.0-111.6 122.3 55.5 97.0 61.7 107 107 A E - 0 0 134 -2,-0.5 -104,-2.4 -106,-0.3 2,-0.4 -0.530 25.1-160.2 -73.2 138.8 53.3 100.1 61.4 108 108 A S E -b 3 0A 14 -2,-0.2 2,-0.3 -106,-0.2 -104,-0.2 -0.933 10.9-168.2-125.8 149.4 49.6 99.2 61.7 109 109 A Y E -b 4 0A 67 -106,-2.3 -104,-2.9 -2,-0.4 2,-0.5 -0.958 13.2-139.2-132.2 150.6 46.5 101.0 60.6 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.941 9.7-169.3-118.0 130.5 42.8 100.4 61.4 111 111 A I E -b 6 0A 3 -106,-3.1 -104,-2.2 -2,-0.5 -94,-0.1 -0.971 22.1-144.1-116.2 116.4 39.9 100.7 59.0 112 112 A H - 0 0 5 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.203 16.8-173.6 -76.2 167.6 36.5 100.5 60.8 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.949 44.5 -60.1-152.9 165.1 33.3 98.9 59.6 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.269 57.3-158.5 -53.1 133.2 29.7 98.7 60.8 115 115 A S >> - 0 0 0 264,-0.3 4,-2.5 -29,-0.2 3,-1.1 -0.902 27.2-131.3-118.7 146.1 29.6 97.0 64.3 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.3 -1,-0.1 0.805 105.6 71.5 -63.5 -25.8 26.7 95.3 66.0 117 117 A Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.842 113.5 23.7 -59.1 -34.9 27.6 97.4 69.1 118 118 A S H X4 S+ 0 0 0 -3,-1.1 3,-2.0 1,-0.1 -1,-0.2 0.690 109.5 74.0-102.8 -23.9 26.3 100.5 67.3 119 119 A A H >< S+ 0 0 1 -4,-2.5 3,-2.6 1,-0.3 -2,-0.2 0.744 76.2 81.5 -61.6 -21.1 23.9 98.7 64.9 120 120 A V G ><> + 0 0 0 -4,-1.2 3,-2.2 1,-0.3 5,-0.6 0.645 68.6 85.3 -60.5 -9.5 21.6 98.1 67.9 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.9 1,-0.3 -1,-0.3 0.805 74.5 71.2 -61.5 -24.2 20.4 101.7 67.3 122 122 A I G < 5S+ 0 0 5 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.626 82.4 70.1 -68.8 -12.0 18.0 100.1 64.8 123 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.616 112.5-118.0 -76.4 -11.7 16.1 98.7 67.7 124 124 A G T < 5S+ 0 0 3 -3,-1.9 2,-0.4 1,-0.3 125,-0.2 0.430 72.6 132.7 90.6 -3.2 15.0 102.2 68.5 125 125 A L < - 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0 0 1 -3,-1.3 53,-0.2 -4,-0.5 3,-0.1 -0.544 65.3-142.9 -81.5 145.2 18.3 106.2 44.2 294 28 B D S S+ 0 0 83 51,-1.9 2,-0.3 -2,-0.2 52,-0.2 0.850 88.1 22.2 -72.4 -35.5 16.2 108.7 42.3 295 29 B Y E -p 346 0H 107 50,-1.4 52,-2.3 24,-0.1 2,-0.4 -0.984 68.0-159.6-135.0 143.9 16.6 111.4 45.0 296 30 B V E +pq 347 321H 6 24,-0.5 26,-2.6 -2,-0.3 2,-0.3 -0.981 10.8 178.2-130.6 123.3 19.3 111.8 47.7 297 31 B F E -pq 348 322H 6 50,-3.1 52,-3.0 -2,-0.4 2,-0.3 -0.765 5.1-174.2-114.2 163.7 18.9 113.9 50.8 298 32 B A E -pq 349 323H 0 24,-1.9 26,-3.0 -2,-0.3 2,-0.4 -0.988 13.8-150.5-156.7 154.5 21.4 114.4 53.6 299 33 B E E + q 0 324H 0 50,-1.9 26,-0.1 -2,-0.3 4,-0.0 -0.982 11.9 177.6-129.6 140.8 21.6 116.0 57.0 300 34 B F + 0 0 28 24,-0.6 25,-0.1 -2,-0.4 50,-0.1 -0.228 61.8 89.7-135.4 42.9 24.7 117.4 58.7 301 35 B Y S S+ 0 0 9 23,-0.1 135,-0.3 135,-0.1 3,-0.1 0.641 80.9 55.8-110.2 -28.5 23.2 118.7 61.9 302 36 B T S S- 0 0 36 1,-0.3 2,-0.3 134,-0.1 -2,-0.1 0.811 132.3 -32.3 -71.0 -30.8 23.6 115.7 64.1 303 37 B S - 0 0 50 -4,-0.0 -1,-0.3 132,-0.0 2,-0.3 -0.971 65.4-111.1-170.7 177.7 27.3 115.7 63.2 304 38 B L - 0 0 13 -2,-0.3 2,-0.7 -3,-0.1 3,-0.1 -0.782 16.6-126.6-121.8 166.5 29.7 116.7 60.5 305 39 B M > - 0 0 16 -2,-0.3 3,-1.4 1,-0.1 -28,-0.1 -0.826 30.7-178.0-112.5 86.4 32.1 114.8 58.1 306 40 B A T 3 S+ 0 0 38 -2,-0.7 -28,-0.1 -30,-0.3 -1,-0.1 0.672 71.6 58.1 -60.8 -24.5 35.3 116.7 58.9 307 41 B G T 3 S+ 0 0 21 -30,-2.4 -28,-0.3 -3,-0.1 -1,-0.3 0.302 112.5 25.0 -93.9 11.8 37.5 114.9 56.4 308 42 B T S < S- 0 0 16 -3,-1.4 2,-0.3 -31,-0.3 -3,-0.1 -0.805 71.8-116.7-152.1-169.0 35.6 115.7 53.2 309 43 B T > - 0 0 73 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.923 31.4-108.7-137.8 162.9 33.1 118.1 51.7 310 44 B L H > S+ 0 0 67 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.896 120.7 55.5 -57.9 -39.0 29.6 118.0 50.3 311 45 B G H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 106.6 47.4 -62.0 -41.4 31.1 118.3 46.9 312 46 B R H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.846 112.5 50.2 -70.1 -32.8 33.3 115.3 47.3 313 47 B I H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.918 110.8 49.1 -70.3 -42.5 30.5 113.2 48.6 314 48 B Q H X>S+ 0 0 55 -4,-2.6 4,-2.5 1,-0.2 5,-1.0 0.906 110.0 52.0 -61.6 -42.5 28.3 114.3 45.7 315 49 B K H <5S+ 0 0 170 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 110.1 48.1 -61.4 -43.3 31.0 113.4 43.2 316 50 B L H <5S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.920 118.4 39.5 -64.9 -44.3 31.5 109.9 44.7 317 51 B I H <5S- 0 0 4 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.755 97.3-141.0 -77.6 -24.9 27.7 109.2 44.7 318 52 B G T <5 + 0 0 60 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.780 66.0 105.1 69.1 26.2 27.2 110.9 41.3 319 53 B K S - 0 0 58 -2,-0.4 4,-2.1 -26,-0.1 5,-0.2 -0.343 36.4 -96.7 -86.2 172.2 18.4 121.4 58.3 326 60 B R H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.889 127.9 49.1 -57.9 -38.7 17.3 120.2 61.7 327 61 B E H >>S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 5,-1.4 0.914 104.9 57.1 -68.3 -41.7 14.0 122.0 61.1 328 62 B D H >5S+ 0 0 37 3,-0.2 4,-0.8 2,-0.2 7,-0.2 0.934 119.0 32.9 -52.6 -47.4 13.5 120.4 57.7 329 63 B V H X5S+ 0 0 1 -4,-2.1 4,-1.7 3,-0.2 5,-0.2 0.981 123.0 41.5 -74.2 -62.2 13.8 117.0 59.3 330 64 B E H <5S+ 0 0 77 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.861 131.7 24.6 -57.6 -38.9 12.3 117.4 62.7 331 65 B L H <5S+ 0 0 99 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.871 137.1 21.2 -95.2 -41.5 9.4 119.5 61.5 332 66 B N H >XS+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 5,-1.6 0.902 82.8 52.2 -53.0 -43.3 10.4 115.2 57.1 334 68 B E H 345S+ 0 0 85 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.581 114.1 43.1 -71.3 -8.9 7.0 114.0 55.9 335 69 B N H <45S+ 0 0 106 -3,-1.9 -1,-0.2 -7,-0.2 -2,-0.2 0.647 123.0 33.1-107.5 -21.6 6.6 116.9 53.6 336 70 B I H <5S+ 0 0 25 -4,-2.0 4,-0.3 -8,-0.2 -3,-0.2 0.853 131.7 17.6-100.9 -47.8 10.1 117.0 52.1 337 71 B V T X5S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 3,-0.5 0.914 117.1 54.9 -94.3 -52.2 11.4 113.4 51.9 338 72 B L H >> S+ 0 0 66 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.941 110.1 40.6 -54.1 -47.4 6.4 112.4 49.3 340 74 B L H >> S+ 0 0 53 -3,-0.5 4,-1.0 -4,-0.3 3,-0.9 0.839 108.7 60.7 -68.7 -33.8 9.1 111.5 46.8 341 75 B A H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 32,-0.2 0.657 92.1 71.3 -68.0 -14.6 9.8 108.2 48.6 342 76 B K H << S+ 0 0 84 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.870 117.5 14.8 -69.5 -37.7 6.2 107.3 47.8 343 77 B E H << S+ 0 0 158 -3,-0.9 2,-0.3 -4,-0.5 -2,-0.2 0.260 128.7 43.3-121.4 10.8 6.9 106.9 44.1 344 78 B N S < S- 0 0 47 -4,-1.0 -76,-1.1 -5,-0.1 2,-0.6 -0.923 85.2 -97.3-147.4 169.5 10.7 106.7 43.9 345 79 B D E -n 268 0H 60 -2,-0.3 -51,-1.9 -53,-0.2 -50,-1.4 -0.849 48.7-172.7 -91.7 121.6 13.7 105.2 45.7 346 80 B V E -np 269 295H 0 -78,-2.8 -76,-2.9 -2,-0.6 2,-0.4 -0.927 13.7-153.1-121.9 144.4 15.0 107.8 48.0 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.1 -2,-0.4 2,-0.5 -0.902 3.3-164.0-116.1 143.8 18.2 108.0 50.2 348 82 B F E -np 271 297H 0 -78,-2.7 -76,-2.3 -2,-0.4 2,-0.3 -0.948 16.6-157.4-127.2 105.0 18.7 109.9 53.4 349 83 B L E +np 272 298H 0 -52,-3.0 -50,-1.9 -2,-0.5 -76,-0.2 -0.657 14.2 176.3 -87.6 139.6 22.4 110.2 54.2 350 84 B T E -n 273 0H 0 -78,-2.0 -76,-2.8 -2,-0.3 -75,-0.4 -0.992 35.7-102.1-140.9 146.1 23.6 110.8 57.8 351 85 B P S S- 0 0 11 0, 0.0 -75,-0.2 0, 0.0 2,-0.1 -0.328 89.4 -5.1 -63.6 151.6 27.1 111.0 59.3 352 86 B G B S-R 275 0I 14 -77,-2.7 -77,-1.9 -79,-0.1 29,-0.2 -0.390 122.0 -15.7 70.6-138.6 28.1 107.9 61.1 353 87 B D S >> S- 0 0 4 -80,-0.2 3,-1.6 -79,-0.1 4,-0.5 -0.902 77.3-109.9-105.9 129.2 25.7 105.0 61.7 354 88 B P T 34 S+ 0 0 0 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.272 99.0 19.2 -59.4 145.7 22.0 105.7 61.1 355 89 B L T 34 S+ 0 0 6 1,-0.1 -228,-0.3 2,-0.1 6,-0.2 0.468 90.6 104.2 72.2 3.0 19.8 105.8 64.2 356 90 B V T <4 + 0 0 24 -3,-1.6 -229,-0.5 -230,-0.1 -228,-0.3 0.903 66.9 78.1 -71.0 -44.3 22.7 106.2 66.6 357 91 B A S >X S- 0 0 28 -4,-0.5 3,-1.0 1,-0.1 4,-0.6 -0.465 94.7-127.7 -58.1 128.8 21.5 109.8 66.9 358 92 B T T 34 S+ 0 0 62 1,-0.2 3,-0.4 -2,-0.2 4,-0.4 0.810 100.9 51.9 -53.9 -37.5 18.5 109.7 69.2 359 93 B T T 34 S+ 0 0 46 1,-0.2 4,-0.5 2,-0.1 3,-0.5 0.729 92.4 75.0 -75.6 -21.8 16.0 111.5 67.0 360 94 B H T X> S+ 0 0 2 -3,-1.0 3,-1.5 1,-0.2 4,-0.5 0.847 81.8 66.8 -59.9 -39.8 16.6 109.4 63.8 361 95 B A H >X S+ 0 0 8 -4,-0.6 3,-1.9 -3,-0.4 4,-0.6 0.887 94.5 56.8 -51.2 -46.6 14.6 106.3 65.0 362 96 B E H >> S+ 0 0 47 -3,-0.5 4,-1.7 -4,-0.4 3,-0.6 0.729 91.6 72.2 -61.7 -19.9 11.2 108.0 65.0 363 97 B L H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.5 -1,-0.3 0.799 91.5 58.3 -65.4 -25.7 11.7 109.0 61.3 364 98 B R H S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 4,-0.4 0.939 109.7 48.8 -58.2 -48.6 7.8 106.5 57.0 368 102 B K H ><5S+ 0 0 100 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.941 109.7 51.8 -56.5 -49.1 5.5 103.7 58.2 369 103 B R H 3<5S+ 0 0 169 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.6 50.8 -58.3 -31.2 2.6 106.2 58.8 370 104 B A T 3<5S- 0 0 38 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.443 118.3-111.0 -88.1 0.0 3.1 107.5 55.3 371 105 B G T < 5S+ 0 0 36 -3,-1.8 2,-0.5 -4,-0.4 -3,-0.2 0.724 73.3 138.0 77.8 22.1 3.0 104.0 53.8 372 106 B V < - 0 0 6 -5,-2.9 -1,-0.3 -6,-0.2 -104,-0.2 -0.879 51.0-132.4-106.8 130.8 6.7 104.1 52.8 373 107 B E E -o 268 0H 84 -106,-2.0 -104,-2.6 -2,-0.5 2,-0.4 -0.507 26.1-164.1 -74.7 145.1 9.0 101.2 53.3 374 108 B S E -o 269 0H 15 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.991 10.4-174.2-136.6 145.0 12.3 102.0 55.0 375 109 B Y E -o 270 0H 42 -106,-2.1 -104,-3.3 -2,-0.4 2,-0.5 -0.974 17.4-135.0-135.6 150.1 15.6 100.2 55.3 376 110 B V E -o 271 0H 6 -2,-0.3 2,-0.6 -164,-0.3 -104,-0.2 -0.916 10.5-168.8-112.6 127.5 18.8 100.9 57.2 377 111 B I E -o 272 0H 2 -106,-3.2 -104,-2.2 -2,-0.5 -94,-0.1 -0.961 25.1-143.9-113.1 111.6 22.3 100.6 55.7 378 112 B H + 0 0 4 -2,-0.6 -95,-0.3 -106,-0.2 -92,-0.2 -0.177 20.9 178.5 -74.8 166.2 24.8 100.8 58.5 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -25,-0.1 -266,-0.1 -0.943 44.7 -63.2-156.6 166.1 28.3 102.4 58.6 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.292 49.6-160.9 -59.8 141.7 31.0 102.9 61.3 381 115 B S >> - 0 0 6 -268,-0.3 4,-2.6 -29,-0.2 3,-1.1 -0.907 29.6-122.8-122.0 150.6 30.0 105.0 64.3 382 116 B I H 3> S+ 0 0 34 -2,-0.3 4,-1.4 1,-0.3 5,-0.1 0.810 110.8 70.9 -62.2 -25.0 32.3 106.8 66.8 383 117 B Y H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.881 113.1 25.1 -58.5 -38.6 30.4 104.7 69.4 384 118 B S H X4 S+ 0 0 0 -3,-1.1 3,-1.7 1,-0.1 -2,-0.2 0.742 111.8 69.8 -97.3 -26.0 32.1 101.6 68.1 385 119 B A H >< S+ 0 0 0 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.728 78.2 80.6 -64.6 -21.0 35.2 103.2 66.7 386 120 B V G ><> + 0 0 0 -4,-1.4 3,-2.4 1,-0.3 5,-0.5 0.650 68.6 86.7 -62.1 -8.5 36.5 104.0 70.2 387 121 B G G X 5S+ 0 0 1 -3,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.760 73.3 72.1 -61.0 -20.5 37.6 100.4 70.2 388 122 B I G < 5S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.621 81.1 71.7 -70.7 -10.8 40.8 101.8 68.6 389 123 B T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.586 111.7-117.6 -79.1 -9.6 41.7 103.3 72.0 390 124 B G T < 5S+ 0 0 5 -3,-1.6 2,-0.3 1,-0.3 125,-0.2 0.365 73.5 132.2 89.7 -8.0 42.4 99.8 73.2 391 125 B L < - 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