==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)22-MAR-94 1TMH . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.V.RADHA KISHAN,J.PH.ZEELEN,R.K.WIERENGA . 1016 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 0.3 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 . 78 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 363 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.4 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 3 1 8 4 8 0 0 0 0 6 7 0 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 7 4 17 3 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 PARALLEL BRIDGES PER LADDER . 5 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 3 A M 0 0 175 0, 0.0 2,-0.3 0, 0.0 203,-0.0 0.000 360.0 360.0 360.0 -94.3 19.5 -18.0 42.9 2 4 A R - 0 0 41 201,-0.1 202,-0.0 203,-0.1 203,-0.0 -0.620 360.0-120.5 -81.8 134.9 20.7 -16.0 39.8 3 5 A H - 0 0 82 -2,-0.3 33,-0.1 1,-0.1 225,-0.1 -0.712 36.4-119.3 -79.9 116.4 19.5 -17.3 36.4 4 6 A P - 0 0 3 0, 0.0 33,-1.4 0, 0.0 2,-0.4 0.051 23.1-158.0 -59.3 149.4 22.7 -18.2 34.3 5 7 A L E -ab 37 229A 4 223,-1.5 225,-1.1 31,-0.2 2,-0.6 -0.995 8.9-170.3-126.5 125.7 23.5 -16.6 31.0 6 8 A V E -ab 38 230A 0 31,-3.2 33,-1.4 -2,-0.4 2,-0.4 -0.985 18.8-173.8-106.3 116.1 25.8 -18.1 28.4 7 9 A M E -ab 39 231A 0 223,-2.5 225,-3.0 -2,-0.6 2,-0.7 -0.979 14.6-146.7-114.0 136.0 26.5 -15.3 25.8 8 10 A G E -ab 40 232A 0 31,-3.3 33,-2.4 -2,-0.4 2,-1.0 -0.824 4.6-163.1-101.7 111.6 28.4 -15.9 22.5 9 11 A N E -a 41 0A 2 223,-2.3 227,-0.2 -2,-0.7 31,-0.1 -0.807 4.2-170.4 -89.6 104.8 30.4 -13.0 21.2 10 12 A W - 0 0 2 31,-1.8 317,-0.2 -2,-1.0 -1,-0.2 0.638 17.9-170.0 -66.7 -22.0 31.1 -14.0 17.5 11 13 A K - 0 0 22 30,-0.4 2,-2.1 1,-0.2 317,-0.2 -0.227 60.8 -10.7 60.5-152.5 33.6 -11.2 17.0 12 14 A L B S+I 327 0B 0 315,-2.7 315,-2.5 30,-0.1 2,-0.3 -0.388 112.9 96.3 -82.0 69.9 34.8 -10.5 13.4 13 15 A N + 0 0 52 -2,-2.1 2,-0.3 313,-0.2 313,-0.1 -0.959 43.1 105.0-156.2 120.0 33.2 -13.6 12.0 14 16 A G + 0 0 12 -2,-0.3 2,-0.3 28,-0.1 3,-0.1 -0.878 25.7 173.5 173.9 161.5 29.8 -13.8 10.3 15 17 A S > - 0 0 33 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.922 50.3 -97.0-168.8 166.2 28.3 -14.1 6.9 16 18 A R H > S+ 0 0 67 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.868 126.1 45.5 -60.4 -32.7 24.7 -14.6 5.5 17 19 A H H > S+ 0 0 124 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.915 112.3 46.9 -76.4 -47.5 25.5 -18.3 5.3 18 20 A M H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.946 113.5 49.8 -65.2 -45.3 27.1 -18.8 8.7 19 21 A V H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 5,-0.5 0.960 111.3 49.9 -59.5 -42.6 24.2 -16.8 10.3 20 22 A H H X S+ 0 0 94 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.941 118.3 39.4 -60.5 -47.5 21.7 -19.0 8.4 21 23 A E H X S+ 0 0 100 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.987 115.9 42.9 -66.4 -62.5 23.4 -22.1 9.5 22 24 A L H X S+ 0 0 36 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.938 117.7 44.9 -53.3 -55.2 24.4 -21.6 13.2 23 25 A V H X S+ 0 0 0 -4,-1.1 4,-2.0 -5,-0.4 -1,-0.2 0.787 113.2 48.1 -67.3 -32.6 21.3 -19.9 14.3 24 26 A S H X S+ 0 0 23 -4,-1.2 4,-1.7 -5,-0.5 -1,-0.3 0.925 114.9 47.1 -74.2 -38.6 18.8 -22.3 12.7 25 27 A N H X S+ 0 0 54 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.955 113.9 48.1 -60.9 -49.8 20.8 -25.3 14.1 26 28 A L H X S+ 0 0 9 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.878 106.4 58.2 -53.0 -43.0 20.9 -23.6 17.6 27 29 A R H < S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.920 114.5 35.4 -60.8 -40.2 17.3 -23.0 17.4 28 30 A K H >< S+ 0 0 132 -4,-1.7 3,-0.9 -3,-0.2 -2,-0.2 0.877 118.6 52.1 -85.0 -30.5 16.6 -26.7 16.9 29 31 A E H 3< S+ 0 0 85 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.792 110.3 48.4 -71.9 -25.0 19.3 -27.7 19.2 30 32 A L T >< S+ 0 0 15 -4,-2.4 3,-0.8 -5,-0.2 2,-0.4 -0.120 75.6 141.5-112.5 38.7 18.1 -25.5 22.1 31 33 A A T < S+ 0 0 79 -3,-0.9 3,-0.1 1,-0.2 26,-0.1 -0.663 75.8 4.4 -85.0 127.2 14.5 -26.4 22.1 32 34 A G T 3 S+ 0 0 82 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.575 86.1 149.2 79.1 5.9 13.0 -26.6 25.6 33 35 A V < + 0 0 29 -3,-0.8 -1,-0.3 1,-0.2 25,-0.1 -0.620 6.8 155.1 -69.4 120.3 16.2 -25.4 27.3 34 36 A A + 0 0 70 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.0 0.471 51.7 70.2-129.3 -8.6 15.0 -23.5 30.3 35 37 A G S S+ 0 0 1 -32,-0.0 2,-0.2 218,-0.0 -2,-0.1 0.747 100.0 43.4 -87.8 -14.4 17.9 -23.6 32.9 36 38 A C S S- 0 0 8 -33,-0.1 2,-0.4 -31,-0.0 -31,-0.2 -0.729 73.4-135.0-124.5 157.8 20.3 -21.2 31.1 37 39 A A E -a 5 0A 26 -33,-1.4 -31,-3.2 -2,-0.2 2,-0.3 -0.974 28.4-162.1-112.3 137.2 19.7 -17.8 29.2 38 40 A V E +a 6 0A 10 20,-0.4 22,-1.6 -2,-0.4 2,-0.3 -0.910 14.7 171.4-124.5 140.7 21.5 -17.7 25.8 39 41 A A E -ac 7 60A 0 -33,-1.4 -31,-3.3 -2,-0.3 2,-0.4 -0.996 14.1-157.2-145.1 151.6 22.4 -14.8 23.6 40 42 A I E -ac 8 61A 1 20,-2.0 22,-2.6 -2,-0.3 -31,-0.2 -0.956 7.3-152.4-122.0 148.3 24.5 -14.4 20.5 41 43 A A E -a 9 0A 0 -33,-2.4 -31,-1.8 -2,-0.4 -30,-0.4 -0.883 19.4-173.7-119.4 96.9 26.2 -11.2 19.2 42 44 A P - 0 0 1 0, 0.0 22,-0.3 0, 0.0 5,-0.2 -0.502 46.5 -77.3 -67.9 152.9 26.5 -11.5 15.4 43 45 A P > - 0 0 6 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.349 58.2-100.7 -47.2 136.1 28.4 -8.7 13.6 44 46 A E G >> S+ 0 0 31 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.783 119.8 57.2 -38.1 -52.1 26.1 -5.7 13.4 45 47 A M G 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.1 258,-0.3 0.680 110.6 47.5 -59.0 -12.4 24.9 -6.1 9.8 46 48 A Y G <> S+ 0 0 0 -3,-2.7 4,-2.1 2,-0.1 -1,-0.3 0.481 83.3 93.7-105.1 -2.7 23.7 -9.7 10.7 47 49 A I H <> S+ 0 0 1 -3,-1.9 4,-1.6 -4,-0.4 5,-0.1 0.923 89.4 46.5 -61.3 -41.3 21.7 -8.8 14.0 48 50 A D H X S+ 0 0 5 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.924 112.0 49.1 -66.3 -41.8 18.5 -8.5 12.2 49 51 A M H > S+ 0 0 18 -4,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.933 113.8 45.3 -65.4 -45.2 18.9 -11.7 10.2 50 52 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.723 108.7 59.7 -66.5 -28.7 19.8 -13.8 13.2 51 53 A K H X S+ 0 0 56 -4,-1.6 4,-0.6 -5,-0.3 -2,-0.2 0.930 109.1 41.6 -68.1 -43.1 16.9 -12.1 15.0 52 54 A R H >< S+ 0 0 103 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.952 115.8 50.2 -71.1 -44.1 14.5 -13.4 12.3 53 55 A E H 3< S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.778 106.3 55.2 -61.6 -25.3 16.2 -16.9 12.3 54 56 A A H >< S+ 0 0 5 -4,-1.2 3,-2.2 -3,-0.2 5,-0.4 0.600 80.2 121.8 -89.6 -6.6 16.0 -17.2 16.1 55 57 A E T << + 0 0 157 -3,-1.1 3,-0.1 -4,-0.6 -3,-0.0 -0.194 68.9 34.9 -58.0 139.2 12.2 -16.6 16.2 56 58 A G T 3 S+ 0 0 82 1,-0.5 -1,-0.3 3,-0.1 2,-0.1 -0.012 114.1 70.1 100.7 -28.8 10.4 -19.5 17.7 57 59 A S S < S- 0 0 22 -3,-2.2 -1,-0.5 2,-0.1 -26,-0.1 -0.299 88.2-116.1-103.7-171.5 13.3 -20.0 20.2 58 60 A H + 0 0 166 -28,-0.3 -20,-0.4 -2,-0.1 2,-0.1 0.070 58.6 140.9-120.2 20.5 14.4 -17.9 23.1 59 61 A I - 0 0 18 -5,-0.4 2,-0.3 -22,-0.1 -20,-0.2 -0.517 43.7-144.8 -66.3 132.6 17.9 -17.0 21.8 60 62 A M E -c 39 0A 72 -22,-1.6 -20,-2.0 -2,-0.1 2,-0.3 -0.787 10.0-128.4 -98.8 143.3 18.4 -13.4 22.8 61 63 A L E +c 40 0A 7 26,-0.5 28,-3.0 -2,-0.3 29,-1.2 -0.787 27.6 177.2-102.9 146.7 20.3 -11.1 20.5 62 64 A G E -d 90 0A 0 -22,-2.6 2,-0.3 -2,-0.3 29,-0.3 -0.710 16.8-139.0-129.5-176.7 23.2 -9.0 21.6 63 65 A A E -d 91 0A 2 27,-2.2 29,-3.1 -2,-0.2 3,-0.1 -0.940 16.9-128.9-145.4 161.0 25.7 -6.6 19.9 64 66 A Q S S- 0 0 13 -2,-0.3 2,-0.3 -22,-0.3 31,-0.2 0.481 81.6 -1.4 -98.5 -4.6 29.4 -6.0 20.4 65 67 A N - 0 0 12 28,-0.1 2,-0.3 29,-0.1 28,-0.1 -0.984 48.4-160.0-166.1 172.3 29.4 -2.2 20.9 66 68 A V - 0 0 0 -2,-0.3 2,-0.2 25,-0.1 13,-0.2 -0.914 18.7-141.5-145.0 159.1 27.4 1.1 21.1 67 69 A D - 0 0 27 11,-2.7 13,-0.2 -2,-0.3 48,-0.0 -0.519 31.5 -99.0-111.2-168.2 28.7 4.6 20.7 68 70 A L S S+ 0 0 54 -2,-0.2 2,-0.4 11,-0.1 11,-0.1 0.744 92.2 77.0 -91.4 -10.8 27.5 7.6 22.7 69 71 A N - 0 0 50 1,-0.1 -2,-0.2 9,-0.1 11,-0.2 -0.801 53.4-162.2-106.2 137.0 25.0 9.3 20.4 70 72 A L S S- 0 0 27 -2,-0.4 2,-0.3 1,-0.3 12,-0.1 0.711 71.4 -16.7 -80.2 -30.8 21.4 8.2 19.7 71 73 A S S S+ 0 0 40 197,-0.1 2,-0.3 7,-0.1 -1,-0.3 -0.958 88.8 58.6-170.7 161.5 20.7 10.1 16.5 72 74 A G B S-J 267 0C 26 195,-1.4 195,-2.9 -2,-0.3 2,-2.3 -0.693 93.2 -3.6 113.2-153.5 21.9 12.9 14.3 73 75 A A S S+ 0 0 39 -2,-0.3 2,-0.6 193,-0.2 193,-0.1 -0.222 84.1 123.0 -75.0 53.6 25.0 13.9 12.4 74 76 A F > - 0 0 40 -2,-2.3 3,-1.6 3,-0.0 2,-0.1 -0.749 45.7-158.6-124.8 87.6 27.3 11.0 13.5 75 77 A T T 3 S+ 0 0 0 -2,-0.6 192,-0.1 1,-0.3 -2,-0.0 -0.363 74.3 13.3 -67.1 132.7 28.6 9.1 10.6 76 78 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.3 190,-0.1 2,-0.1 0.555 98.5 127.6 85.3 15.1 29.8 5.7 11.2 77 79 A E < - 0 0 18 -3,-1.6 2,-0.6 -10,-0.0 -1,-0.2 -0.318 54.5-123.2-105.5 175.7 28.2 5.3 14.7 78 80 A T - 0 0 15 -2,-0.1 -11,-2.7 221,-0.1 2,-0.4 -0.909 20.4-151.7-122.9 111.3 26.0 2.9 16.6 79 81 A S > - 0 0 0 -2,-0.6 4,-2.9 -13,-0.2 -9,-0.2 -0.598 11.1-152.3 -82.6 137.6 22.9 4.1 18.2 80 82 A A H > S+ 0 0 1 -2,-0.4 4,-2.7 -13,-0.2 -1,-0.1 0.783 101.2 57.8 -67.6 -31.7 21.6 2.3 21.3 81 83 A A H > S+ 0 0 36 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.822 110.6 43.0 -71.8 -29.8 18.2 3.4 20.2 82 84 A M H > S+ 0 0 9 2,-0.2 4,-2.7 3,-0.1 5,-0.3 0.956 110.5 53.1 -84.8 -48.4 18.7 1.6 17.0 83 85 A L H X>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.8 0.934 111.3 50.0 -42.9 -54.9 20.3 -1.5 18.5 84 86 A K H ><5S+ 0 0 49 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.909 110.6 49.8 -46.1 -50.0 17.2 -1.5 20.7 85 87 A D H 3<5S+ 0 0 55 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.815 108.0 52.2 -57.9 -44.9 14.9 -1.2 17.5 86 88 A I H 3<5S- 0 0 0 -4,-2.7 -1,-0.3 -3,-0.1 -2,-0.2 0.623 125.3 -99.8 -74.6 -10.6 16.6 -4.0 15.7 87 89 A G T <<5S+ 0 0 31 -3,-1.1 -26,-0.5 -4,-0.8 2,-0.3 0.655 70.2 143.4 102.9 17.1 16.1 -6.3 18.6 88 90 A A < + 0 0 5 -5,-2.4 -1,-0.3 -6,-0.2 -26,-0.3 -0.726 13.4 167.0 -87.9 142.4 19.5 -6.5 20.5 89 91 A Q + 0 0 58 -28,-3.0 33,-2.3 -2,-0.3 2,-0.7 0.648 62.1 56.3-112.7 -44.8 19.3 -6.7 24.4 90 92 A Y E -de 62 122A 39 -29,-1.2 -27,-2.2 31,-0.2 2,-0.6 -0.821 64.9-172.5-101.6 111.3 22.8 -7.6 25.5 91 93 A I E -de 63 123A 0 31,-2.5 33,-2.3 -2,-0.7 -27,-0.2 -0.908 17.8-139.9-110.2 120.0 25.5 -5.2 24.4 92 94 A I E + e 0 124A 0 -29,-3.1 2,-0.3 -2,-0.6 33,-0.2 -0.551 28.0 176.1 -70.5 132.5 29.0 -6.0 25.1 93 95 A I E + e 0 125A 1 31,-2.3 33,-2.6 -2,-0.2 -28,-0.1 -0.995 55.7 21.4-133.9 137.2 31.0 -2.9 26.2 94 96 A G + 0 0 0 -2,-0.3 2,-0.2 1,-0.2 -29,-0.1 0.764 69.6 164.9 89.1 19.3 34.7 -2.8 27.3 95 97 A H >> - 0 0 8 -31,-0.2 3,-2.2 1,-0.1 4,-1.9 -0.548 50.5-110.5 -67.6 144.8 36.0 -5.9 25.8 96 98 A S H 3> S+ 0 0 12 1,-0.3 4,-2.7 2,-0.2 5,-0.4 0.576 116.1 61.4 -50.8 -25.0 39.9 -6.0 25.7 97 99 A E H 34>S+ 0 0 9 2,-0.2 5,-1.5 3,-0.2 -1,-0.3 0.758 109.5 39.2 -74.5 -32.3 39.9 -5.6 21.9 98 100 A R H <45S+ 0 0 21 -3,-2.2 6,-1.5 3,-0.2 -2,-0.2 0.910 117.6 51.6 -83.0 -44.7 38.2 -2.3 22.1 99 101 A R H <5S+ 0 0 37 -4,-1.9 -2,-0.2 4,-0.3 -3,-0.2 0.894 126.0 22.5 -58.0 -45.4 40.3 -1.3 25.2 100 102 A T T ><5S+ 0 0 68 -4,-2.7 3,-1.4 -5,-0.2 -3,-0.2 0.938 133.8 32.8 -87.6 -68.5 43.6 -2.2 23.5 101 103 A Y T 3 5S+ 0 0 125 -5,-0.4 -3,-0.2 1,-0.3 -2,-0.1 0.924 132.8 33.1 -54.5 -49.6 43.1 -2.0 19.8 102 104 A H T 3 - 0 0 46 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.554 19.6-116.9 -95.4 167.0 38.8 4.2 28.2 106 108 A D H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.858 117.4 52.9 -59.5 -37.9 37.0 3.5 31.4 107 109 A E H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 112.1 44.1 -67.3 -44.8 35.4 6.8 31.3 108 110 A L H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.965 112.8 50.7 -68.0 -46.4 34.1 6.2 27.8 109 111 A I H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.876 110.4 52.3 -57.7 -36.9 32.9 2.6 28.6 110 112 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.906 107.4 49.2 -64.1 -44.3 31.1 4.0 31.6 111 113 A K H X S+ 0 0 116 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.897 112.6 50.3 -64.3 -37.3 29.3 6.7 29.6 112 114 A K H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.920 108.8 50.3 -64.6 -39.8 28.3 3.9 27.2 113 115 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.936 108.8 55.1 -61.1 -39.5 27.1 1.8 30.1 114 116 A A H X S+ 0 0 35 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.913 107.2 47.3 -57.5 -50.3 25.1 4.8 31.1 115 117 A V H X S+ 0 0 12 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.842 111.0 50.4 -55.2 -47.2 23.4 5.1 27.6 116 118 A L H X>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-1.5 0.952 111.2 48.4 -64.7 -50.8 22.4 1.4 27.5 117 119 A K H <5S+ 0 0 59 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.892 110.9 51.5 -51.0 -45.4 20.9 1.5 30.9 118 120 A E H <5S+ 0 0 36 -4,-1.8 863,-0.5 1,-0.3 -1,-0.2 0.741 113.0 45.6 -66.2 -30.3 19.0 4.7 30.1 119 121 A Q H <5S- 0 0 11 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.698 119.6-107.6 -84.0 -28.6 17.6 3.0 27.0 120 122 A G T <5S+ 0 0 36 -4,-1.5 2,-0.3 1,-0.4 -3,-0.2 0.680 73.2 131.3 102.0 23.8 16.7 -0.3 28.7 121 123 A L < - 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0 0 4 -40,-3.0 2,-0.6 -2,-0.6 44,-0.2 -0.879 25.5-145.8-134.4 90.8 37.8 -11.9 31.0 168 170 A P > - 0 0 0 0, 0.0 3,-2.9 0, 0.0 4,-0.5 -0.484 14.6-141.0 -58.1 106.5 41.4 -12.3 32.1 169 171 A V G > S+ 0 0 45 -40,-1.4 3,-1.9 -2,-0.6 -39,-0.2 0.861 100.8 60.1 -40.8 -46.1 43.2 -10.8 29.0 170 172 A W G 3 S+ 0 0 18 -41,-0.7 6,-0.3 1,-0.3 -1,-0.3 0.640 107.5 50.3 -61.3 -10.7 46.0 -13.4 29.3 171 173 A A G <> S+ 0 0 0 -3,-2.9 4,-0.6 3,-0.1 2,-0.5 0.520 81.2 107.1-100.9 -10.5 43.1 -16.0 28.8 172 174 A I T <4 S- 0 0 31 -3,-1.9 -5,-0.0 -4,-0.5 5,-0.0 -0.644 105.8 -23.3 -82.2 120.9 41.4 -14.5 25.7 173 175 A G T 4 S+ 0 0 73 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.420 116.6 100.7 64.8 -3.5 42.0 -16.6 22.5 174 176 A T T 4 S- 0 0 83 -3,-0.3 -2,-0.1 2,-0.2 -1,-0.1 0.968 87.0-127.6 -77.7 -47.6 45.2 -17.9 24.2 175 177 A G S < S+ 0 0 61 -4,-0.6 2,-0.8 1,-0.2 -4,-0.1 0.268 79.3 109.0 112.3 -1.7 43.8 -21.3 25.3 176 178 A K - 0 0 103 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.885 49.7-178.2-107.1 97.3 44.9 -20.7 28.8 177 179 A S - 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0 0 5 -40,-3.2 2,-0.4 -2,-0.8 44,-0.2 -0.941 25.9-145.4-119.2 97.0 32.6 18.3 1.7 423 170 B P >> - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.578 15.2-136.4 -51.6 123.9 33.8 21.7 3.1 424 171 B V G >4 S+ 0 0 41 -40,-2.1 3,-1.6 -2,-0.4 -39,-0.2 0.900 102.1 59.6 -63.5 -39.7 33.3 21.3 6.8 425 172 B W G 34 S+ 0 0 14 -41,-0.8 6,-0.3 1,-0.3 -1,-0.3 0.692 106.0 53.1 -63.3 -15.8 31.8 24.8 7.1 426 173 B A G <> S+ 0 0 0 -3,-1.6 4,-0.7 39,-0.1 3,-0.4 0.629 81.4 105.1 -90.1 -18.3 29.1 23.6 4.7 427 174 B I T << S- 0 0 28 -3,-1.6 4,-0.1 -4,-0.6 -5,-0.0 -0.501 105.7 -22.0 -78.0 126.8 28.0 20.4 6.5 428 175 B G T 4 S+ 0 0 74 -2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.376 115.3 101.3 61.3 -3.5 24.6 20.8 8.2 429 176 B T T 4 S- 0 0 80 -3,-0.4 -1,-0.1 2,-0.2 -2,-0.1 0.814 85.9-128.2 -82.1 -30.2 25.1 24.6 8.3 430 177 B G S < S+ 0 0 56 -4,-0.7 2,-1.0 1,-0.2 -4,-0.1 0.033 78.3 115.9 97.9 -19.5 22.9 25.5 5.4 431 178 B K - 0 0 103 -6,-0.3 -1,-0.2 -4,-0.1 -2,-0.2 -0.689 48.3-175.2 -87.6 98.2 25.9 27.4 4.1 432 179 B S - 0 0 35 -2,-1.0 35,-0.1 35,-0.2 2,-0.1 -0.547 32.9 -98.1 -87.3 157.4 26.9 25.7 0.8 433 180 B A - 0 0 5 33,-0.4 -1,-0.1 -2,-0.2 31,-0.0 -0.458 44.3-112.7 -64.1 143.5 29.9 26.4 -1.5 434 181 B T >> - 0 0 65 1,-0.1 4,-2.8 -2,-0.1 3,-0.5 -0.518 31.4-106.2 -68.2 161.3 28.9 28.6 -4.4 435 182 B P H 3> S+ 0 0 38 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.869 125.4 55.8 -59.0 -29.8 29.1 26.7 -7.8 436 183 B A H 3> S+ 0 0 69 2,-0.2 4,-1.3 3,-0.2 5,-0.1 0.851 110.2 41.8 -68.3 -41.3 32.2 28.9 -8.3 437 184 B Q H <> S+ 0 0 72 -3,-0.5 4,-2.2 2,-0.2 5,-0.3 0.984 116.8 48.9 -65.6 -55.4 33.8 27.7 -5.1 438 185 B A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.901 114.8 43.8 -48.3 -54.2 32.7 24.1 -5.7 439 186 B Q H X S+ 0 0 30 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.846 109.7 55.2 -64.2 -38.0 34.0 23.9 -9.2 440 187 B A H X S+ 0 0 59 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.907 113.5 41.3 -67.2 -40.1 37.2 25.7 -8.6 441 188 B V H X S+ 0 0 11 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.884 114.3 51.3 -75.1 -41.1 38.2 23.2 -5.9 442 189 B H H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.874 111.0 48.7 -65.9 -35.8 36.9 20.2 -7.8 443 190 B K H X S+ 0 0 73 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.923 110.2 52.8 -66.0 -42.3 38.9 21.3 -10.8 444 191 B F H X S+ 0 0 33 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.877 109.5 48.0 -56.7 -49.1 42.0 21.7 -8.4 445 192 B I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.947 114.0 46.7 -57.2 -50.6 41.7 18.1 -7.1 446 193 B R H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.916 112.7 49.8 -65.2 -36.2 41.4 16.9 -10.6 447 194 B D H X S+ 0 0 70 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.929 110.1 52.2 -64.1 -42.2 44.4 19.0 -11.7 448 195 B H H < S+ 0 0 20 -4,-2.9 4,-0.3 2,-0.2 -2,-0.2 0.851 112.6 42.4 -61.3 -40.1 46.3 17.6 -8.7 449 196 B I H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-2.2 0.935 110.3 58.1 -76.6 -44.2 45.6 13.9 -9.6 450 197 B A H 3< S+ 0 0 29 -4,-2.5 4,-0.5 1,-0.3 -1,-0.2 0.767 92.7 66.0 -50.8 -33.8 46.2 14.5 -13.2 451 198 B K T 3< S+ 0 0 159 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.718 113.3 35.2 -65.8 -19.2 49.8 15.8 -12.6 452 199 B V T <4 S- 0 0 84 -3,-2.2 2,-0.3 -4,-0.3 -2,-0.2 0.854 145.4 -5.8 -93.0 -60.6 50.5 12.2 -11.5 453 200 B D X - 0 0 56 -4,-2.5 4,-2.0 1,-0.1 -2,-0.2 -0.878 56.5-171.1-144.0 115.6 48.2 10.5 -14.0 454 201 B A H > S+ 0 0 58 -4,-0.5 4,-1.4 -2,-0.3 -4,-0.1 0.861 86.8 58.9 -67.0 -38.7 45.9 12.3 -16.4 455 202 B N H >> S+ 0 0 136 2,-0.2 4,-0.7 1,-0.2 3,-0.6 0.951 108.8 45.3 -64.6 -40.1 44.1 9.3 -17.6 456 203 B I H >> S+ 0 0 18 1,-0.2 3,-1.5 2,-0.2 4,-0.6 0.949 106.0 60.8 -71.2 -39.0 43.0 8.4 -14.1 457 204 B A H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.770 97.7 58.9 -61.0 -23.5 41.9 12.0 -13.3 458 205 B E H << S+ 0 0 79 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.821 110.3 42.2 -77.5 -21.6 39.4 12.0 -16.1 459 206 B Q H << S+ 0 0 63 -3,-1.5 2,-0.5 -4,-0.7 -43,-0.2 0.317 85.0 107.2-102.3 6.2 37.5 9.0 -14.6 460 207 B V << - 0 0 0 -4,-0.6 2,-0.5 -3,-0.5 -42,-0.2 -0.693 66.3-135.8 -90.8 130.3 37.5 9.9 -10.9 461 208 B I E -q 418 0D 34 -44,-0.9 -42,-2.8 -2,-0.5 2,-0.6 -0.811 17.0-165.5 -80.9 130.1 34.1 11.0 -9.8 462 209 B I E -q 419 0D 0 -2,-0.5 21,-2.2 19,-0.2 22,-0.5 -0.939 11.1-166.0-120.4 102.4 34.4 14.1 -7.6 463 210 B Q E -qr 420 484D 0 -44,-2.5 -42,-1.7 -2,-0.6 2,-0.5 -0.528 13.4-132.2 -87.1 151.6 31.1 14.6 -5.7 464 211 B Y E +qr 421 485D 0 20,-3.0 22,-2.0 -44,-0.2 2,-0.3 -0.892 26.6 175.1-104.5 137.0 30.1 17.8 -3.8 465 212 B G + 0 0 2 -44,-2.7 22,-0.1 -2,-0.5 -39,-0.1 -0.991 29.0 99.4-135.2 151.3 28.7 17.6 -0.3 466 213 B G S S- 0 0 8 20,-0.5 -33,-0.4 -2,-0.3 -39,-0.3 0.171 99.5 -25.6 129.3 96.3 27.8 20.4 2.1 467 214 B S S S+ 0 0 30 1,-0.2 2,-0.2 -41,-0.1 -35,-0.2 0.806 82.6 166.6 42.4 51.2 24.3 21.5 2.6 468 215 B V + 0 0 14 18,-0.3 22,-0.3 -37,-0.1 2,-0.3 -0.622 2.6 160.2 -86.4 151.5 23.1 20.5 -0.9 469 216 B N >> - 0 0 56 -2,-0.2 4,-2.3 18,-0.1 3,-0.7 -0.939 56.1 -76.2-157.3 174.4 19.2 20.4 -1.5 470 217 B A H 3> S+ 0 0 31 -2,-0.3 4,-0.8 1,-0.2 -1,-0.0 0.843 125.6 51.1 -48.5 -49.2 16.8 20.4 -4.5 471 218 B S H 3> S+ 0 0 89 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.818 119.1 35.3 -59.8 -36.5 17.2 24.2 -5.2 472 219 B N H <> S+ 0 0 25 -3,-0.7 4,-2.0 2,-0.1 5,-0.2 0.650 95.8 80.5-101.1 -12.2 21.1 24.1 -5.3 473 220 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.961 96.1 48.8 -50.7 -49.2 21.7 20.7 -6.9 474 221 B A H X S+ 0 0 51 -4,-0.8 4,-1.2 1,-0.2 -1,-0.2 0.915 111.1 45.9 -55.9 -57.9 21.0 22.3 -10.4 475 222 B E H < S+ 0 0 115 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.784 117.4 46.8 -54.3 -34.5 23.3 25.4 -10.1 476 223 B L H >< S+ 0 0 3 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.877 106.1 55.7 -81.0 -36.0 26.0 23.1 -8.7 477 224 B F H 3< S+ 0 0 25 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.713 91.1 74.9 -67.2 -22.5 25.7 20.3 -11.3 478 225 B A T 3< S+ 0 0 63 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.3 0.616 78.0 100.3 -62.1 -15.8 26.2 22.8 -14.1 479 226 B Q S X S- 0 0 47 -3,-1.4 3,-0.8 1,-0.1 -43,-0.0 -0.584 77.0-129.8 -85.6 153.0 29.9 22.9 -13.2 480 227 B H T 3 S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.826 99.6 36.6 -72.9 -38.5 32.3 21.0 -15.1 481 228 B D T 3 S+ 0 0 14 1,-0.1 2,-1.0 -20,-0.0 -1,-0.3 0.387 88.0 99.9-103.3 9.1 34.1 19.1 -12.4 482 229 B V < + 0 0 4 -3,-0.8 -19,-0.2 -6,-0.2 -3,-0.1 -0.779 45.8 178.0-100.3 99.6 31.3 18.4 -10.1 483 230 B D - 0 0 13 -21,-2.2 -223,-1.2 -2,-1.0 2,-0.3 0.369 55.5 -43.2 -88.4 3.6 30.3 14.8 -10.8 484 231 B G E -lr 260 463D 0 -22,-0.5 -20,-3.0 -225,-0.2 2,-0.4 -0.971 63.2 -77.2 163.0-166.1 27.6 14.3 -8.3 485 232 B F E -lr 261 464D 0 -225,-1.2 -223,-2.3 -2,-0.3 2,-0.8 -0.985 6.7-152.7-135.9 130.1 26.5 14.8 -4.8 486 233 B L E -l 262 0D 10 -22,-2.0 -20,-0.5 -2,-0.4 2,-0.4 -0.917 34.8-156.9 -91.3 108.7 27.1 13.4 -1.4 487 234 B V E +l 263 0D 0 -225,-2.9 -223,-3.5 -2,-0.8 -18,-0.1 -0.749 17.8 176.3 -92.8 136.5 23.7 14.3 0.1 488 235 B G > + 0 0 21 -2,-0.4 3,-2.9 -20,-0.2 4,-0.3 0.369 69.6 7.0 -99.0-113.6 23.4 14.5 3.9 489 236 B G G > S+ 0 0 43 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.640 122.1 62.2 -51.9 -27.7 20.2 15.6 5.6 490 237 B A G > S+ 0 0 7 -22,-0.3 3,-1.2 1,-0.2 6,-0.5 0.619 84.4 80.9 -81.3 -3.0 18.0 15.7 2.4 491 238 B S G < S+ 0 0 3 -3,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.734 94.6 47.2 -62.7 -26.7 18.7 11.9 2.1 492 239 B L G < S+ 0 0 33 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.470 105.7 74.2 -93.6 -2.6 15.9 11.4 4.7 493 240 B K S X S- 0 0 100 -3,-1.2 3,-1.1 -4,-0.1 4,-0.2 -0.732 88.9-119.7-105.6 157.4 13.6 13.8 2.8 494 241 B P T >> S+ 0 0 96 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.701 105.2 83.0 -64.9 -19.1 11.7 13.1 -0.5 495 243 B E H 3> + 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.578 69.6 78.9 -57.7 -11.2 13.7 16.0 -1.9 496 244 B F H <> S+ 0 0 1 -3,-1.1 4,-1.9 -6,-0.5 -1,-0.2 0.920 91.4 51.8 -65.5 -37.0 16.6 13.5 -2.5 497 245 B V H <> S+ 0 0 8 -3,-1.5 4,-2.8 2,-0.2 5,-0.2 0.944 107.3 52.0 -67.1 -43.9 14.7 12.3 -5.6 498 246 B D H X S+ 0 0 95 -4,-0.8 4,-1.8 1,-0.2 -2,-0.2 0.922 109.0 50.6 -58.0 -41.8 14.4 16.0 -6.8 499 247 B I H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.904 110.7 50.5 -54.7 -41.5 18.2 16.3 -6.3 500 248 B I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.901 105.0 54.4 -72.4 -39.5 18.5 13.1 -8.4 501 249 B N H X S+ 0 0 62 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.923 105.3 55.9 -63.1 -32.5 16.4 14.4 -11.2 502 250 B A H X S+ 0 0 20 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.873 110.7 42.2 -65.5 -37.5 18.8 17.4 -11.3 503 251 B A H X S+ 0 0 0 -4,-1.4 4,-1.5 -3,-0.1 -2,-0.2 0.951 119.5 47.3 -71.6 -43.9 21.9 15.2 -11.9 504 252 B E H X S+ 0 0 30 -4,-2.8 4,-1.8 2,-0.2 3,-0.5 0.970 112.9 43.3 -61.2 -59.3 19.9 13.1 -14.4 505 253 B A H < S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.887 117.7 45.5 -59.4 -38.8 18.2 15.7 -16.6 506 254 B A H >< S+ 0 0 54 -4,-1.1 3,-0.9 -5,-0.4 -1,-0.2 0.729 107.0 58.5 -78.9 -22.5 21.4 17.9 -16.8 507 255 B K H 3< S+ 0 0 83 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.905 104.3 53.0 -67.1 -40.0 23.6 14.8 -17.6 508 256 B Q T 3< 0 0 102 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.133 360.0 360.0 -85.0 24.8 21.4 14.1 -20.6 509 257 B A < 0 0 125 -3,-0.9 -3,-0.1 0, 0.0 -4,-0.0 -0.014 360.0 360.0 -46.3 360.0 21.9 17.7 -21.9 510 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 511 3 C M 0 0 182 0, 0.0 2,-0.3 0, 0.0 202,-0.0 0.000 360.0 360.0 360.0 -75.0 11.6 46.7 74.6 512 4 C R - 0 0 41 203,-0.1 202,-0.1 201,-0.0 203,-0.1 -0.754 360.0-115.6 -98.1 142.1 10.6 44.6 71.4 513 5 C H - 0 0 86 -2,-0.3 33,-0.1 1,-0.1 225,-0.1 -0.725 36.7-119.9 -86.5 120.4 11.8 45.9 68.0 514 6 C P - 0 0 3 0, 0.0 33,-0.5 0, 0.0 2,-0.4 -0.093 24.8-163.4 -64.6 156.4 8.8 46.9 65.8 515 7 C L E -t 739 0F 5 223,-0.9 225,-1.2 31,-0.2 2,-0.5 -0.982 8.3-168.3-140.8 120.7 8.1 45.3 62.6 516 8 C V E -tu 740 548F 0 31,-3.4 33,-1.8 -2,-0.4 2,-0.4 -0.997 15.9-174.6-108.0 121.3 5.8 46.7 60.0 517 9 C M E -tu 741 549F 0 223,-2.6 225,-2.7 -2,-0.5 2,-0.6 -0.974 14.9-146.2-118.8 132.0 5.1 44.0 57.3 518 10 C G E -tu 742 550F 0 31,-2.8 33,-2.6 -2,-0.4 2,-1.0 -0.874 4.0-159.0-102.8 121.0 3.1 44.7 54.1 519 11 C N E - u 0 551F 2 223,-3.1 227,-0.2 -2,-0.6 228,-0.1 -0.861 5.7-171.0-100.7 106.0 1.0 41.8 52.9 520 12 C W - 0 0 4 31,-1.7 -1,-0.2 -2,-1.0 223,-0.1 0.614 16.5-168.5 -72.6 -17.7 0.5 42.7 49.2 521 13 C K - 0 0 21 30,-0.4 2,-1.8 1,-0.2 317,-0.2 -0.174 61.7 -14.6 57.0-149.2 -2.1 39.9 48.7 522 14 C L B S+B 837 0G 0 315,-2.2 315,-2.2 30,-0.1 2,-0.3 -0.516 111.5 96.4 -87.0 74.6 -3.0 39.2 45.0 523 15 C N + 0 0 44 -2,-1.8 2,-0.2 313,-0.2 313,-0.1 -0.895 43.4 102.1-157.8 130.1 -1.6 42.3 43.5 524 16 C G + 0 0 12 -2,-0.3 2,-0.3 28,-0.1 3,-0.1 -0.777 28.3 177.4 164.0 157.8 1.8 42.6 41.9 525 17 C S > - 0 0 35 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.927 50.6 -92.1-164.3 168.1 3.4 42.8 38.5 526 18 C R H > S+ 0 0 79 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.884 126.7 46.0 -54.9 -37.3 6.9 43.2 37.1 527 19 C H H > S+ 0 0 125 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.949 111.6 46.8 -73.4 -51.7 6.3 46.9 36.9 528 20 C M H >>S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 5,-0.6 0.897 112.0 53.5 -61.8 -34.6 4.7 47.5 40.3 529 21 C V H X5S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 5,-0.5 0.974 111.1 44.4 -67.3 -46.9 7.6 45.4 41.8 530 22 C H H X5S+ 0 0 97 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.912 121.0 43.1 -60.3 -43.1 10.2 47.6 40.1 531 23 C E H X5S+ 0 0 108 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.993 115.8 39.2 -68.2 -64.8 8.3 50.8 41.2 532 24 C L H X5S+ 0 0 32 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.927 120.5 45.4 -54.3 -48.1 7.1 50.3 44.7 533 25 C V H XX S+ 0 0 50 -4,-2.1 4,-3.0 -3,-0.2 3,-0.9 0.965 111.5 48.5 -72.1 -52.4 10.9 53.9 45.8 536 28 C L H 3X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.3 -2,-0.2 0.885 106.7 57.4 -51.3 -40.3 10.8 52.2 49.3 537 29 C R H 3< S+ 0 0 91 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.919 115.9 37.5 -59.2 -35.8 14.5 51.5 49.0 538 30 C K H X< S+ 0 0 134 -4,-1.0 3,-0.8 -3,-0.9 -2,-0.2 0.868 118.7 46.0 -85.3 -40.0 14.9 55.3 48.5 539 31 C E H 3< S+ 0 0 93 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.780 112.1 50.2 -72.9 -32.8 12.3 56.5 51.0 540 32 C L T >< S+ 0 0 14 -4,-2.7 3,-1.3 -5,-0.3 -1,-0.2 0.158 75.1 135.1 -96.5 16.1 13.3 54.2 53.8 541 33 C A T < S+ 0 0 80 -3,-0.8 3,-0.1 1,-0.2 26,-0.1 -0.490 75.7 16.5 -65.3 124.2 17.1 55.1 53.7 542 34 C G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.159 85.2 141.6 103.7 -18.5 18.3 55.6 57.3 543 35 C V < + 0 0 28 -3,-1.3 -1,-0.3 1,-0.2 -3,-0.0 -0.358 8.5 152.9 -62.1 130.2 15.3 54.0 59.1 544 36 C A + 0 0 65 -3,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 0.474 56.5 67.0-131.6 -28.6 16.6 52.1 62.1 545 37 C G S S+ 0 0 2 -32,-0.0 2,-0.3 218,-0.0 -2,-0.1 0.643 99.7 48.9 -80.2 -10.4 13.8 52.0 64.6 546 38 C C S S- 0 0 9 -33,-0.1 2,-0.4 -31,-0.0 -31,-0.2 -0.844 71.3-138.1-128.2 157.5 11.4 49.9 62.6 547 39 C A - 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