==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-DEC-02 1NEY . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR G.JOGL,S.ROZOVSKY,A.E.MCDERMOTT,L.TONG . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 . 39 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 6 2 0 0 0 0 0 4 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 4 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 2 A A 0 0 145 0, 0.0 2,-0.5 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0-120.8 13.8 34.2 -7.1 2 3 A R - 0 0 65 201,-0.1 2,-0.4 3,-0.0 201,-0.1 -0.887 360.0-129.0-110.2 128.0 16.0 35.0 -4.2 3 4 A T - 0 0 67 -2,-0.5 32,-0.1 199,-0.2 223,-0.0 -0.591 33.4-110.5 -72.8 125.1 17.4 32.3 -1.9 4 5 A F E -a 35 0A 16 30,-0.7 32,-2.7 -2,-0.4 2,-0.4 -0.322 38.1-158.7 -56.8 133.6 16.7 33.2 1.7 5 6 A F E -ab 36 227A 0 221,-2.1 223,-1.5 30,-0.2 2,-0.5 -0.979 15.2-173.9-127.4 129.2 20.0 34.0 3.4 6 7 A V E -ab 37 228A 0 30,-2.6 32,-2.3 -2,-0.4 2,-0.4 -0.964 7.4-168.7-126.7 114.7 20.8 34.0 7.1 7 8 A G E -ab 38 229A 0 221,-2.9 223,-2.9 -2,-0.5 2,-0.6 -0.834 8.7-154.1 -98.0 139.6 24.2 35.3 8.3 8 9 A G E -ab 39 230A 0 30,-2.8 32,-2.9 -2,-0.4 2,-0.9 -0.949 5.6-166.6-115.0 108.2 25.4 34.7 11.9 9 10 A N E -a 40 0A 2 221,-2.8 225,-0.2 -2,-0.6 226,-0.1 -0.826 4.2-174.4 -94.4 101.2 27.9 37.4 13.0 10 11 A F - 0 0 2 30,-1.8 -1,-0.2 -2,-0.9 221,-0.1 0.681 18.9-168.3 -68.6 -16.7 29.4 36.0 16.2 11 12 A K - 0 0 20 29,-0.5 2,-1.7 1,-0.2 -1,-0.2 -0.278 63.0 -18.3 55.4-149.1 31.3 39.2 16.7 12 13 A L B S+I 319 0B 0 307,-2.2 307,-1.7 29,-0.1 2,-0.3 -0.540 113.0 107.0 -88.8 72.3 34.0 38.9 19.4 13 14 A N + 0 0 41 -2,-1.7 2,-0.1 305,-0.2 305,-0.1 -0.996 39.8 59.8-150.5 144.4 32.6 35.8 21.0 14 15 A G - 0 0 24 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.297 40.0-141.7 125.2 158.8 33.3 32.1 21.2 15 16 A S > - 0 0 37 -2,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.869 45.0 -95.2-136.6 172.2 35.7 29.4 22.3 16 17 A K H > S+ 0 0 58 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.937 126.9 47.0 -54.7 -44.2 36.6 26.1 20.6 17 18 A Q H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 113.6 44.4 -65.2 -45.3 34.0 24.4 22.8 18 19 A S H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 113.8 50.4 -76.2 -34.7 31.1 26.9 22.3 19 20 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.907 107.1 54.6 -70.8 -38.6 31.7 27.1 18.5 20 21 A K H X S+ 0 0 62 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.912 108.4 50.2 -54.6 -45.7 31.7 23.3 18.2 21 22 A E H X S+ 0 0 106 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.902 110.9 48.2 -61.8 -40.8 28.3 23.4 20.0 22 23 A I H X S+ 0 0 9 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.938 115.1 45.0 -64.5 -46.5 26.9 26.0 17.6 23 24 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 31,-0.2 0.936 111.7 50.3 -69.0 -42.2 28.1 24.1 14.5 24 25 A E H X S+ 0 0 99 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.881 107.0 56.6 -61.9 -36.1 26.9 20.7 15.7 25 26 A R H X S+ 0 0 51 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.934 109.8 45.0 -58.7 -44.9 23.5 22.2 16.4 26 27 A L H >< S+ 0 0 1 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.916 109.5 55.4 -63.9 -41.9 23.3 23.4 12.7 27 28 A N H 3< S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 116.4 37.1 -58.7 -31.9 24.6 20.0 11.4 28 29 A T H 3< S+ 0 0 118 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.466 99.0 104.0-100.9 -3.5 21.7 18.3 13.3 29 30 A A S << S- 0 0 19 -4,-0.9 2,-0.7 -3,-0.5 -3,-0.0 -0.314 79.5-103.9 -81.9 160.3 19.0 20.8 12.8 30 31 A S + 0 0 86 -2,-0.1 -1,-0.1 214,-0.0 -2,-0.1 -0.699 50.3 169.3 -75.1 108.6 16.0 20.9 10.5 31 32 A I - 0 0 16 -2,-0.7 213,-0.1 213,-0.0 26,-0.1 -0.993 33.5-112.6-126.4 133.7 17.0 23.4 7.8 32 33 A P > - 0 0 24 0, 0.0 3,-0.8 0, 0.0 25,-0.0 -0.267 21.2-118.2 -65.2 154.6 15.1 23.9 4.6 33 34 A E T 3 S+ 0 0 186 1,-0.2 2,-0.6 3,-0.0 -2,-0.0 0.896 107.5 51.4 -40.8 -57.0 16.4 22.9 1.2 34 35 A N T 3 S+ 0 0 111 2,-0.1 -30,-0.7 -31,-0.0 2,-0.4 -0.282 86.3 100.3 -99.9 43.5 16.4 26.5 -0.2 35 36 A V E < -a 4 0A 9 -3,-0.8 2,-0.5 -2,-0.6 -30,-0.2 -0.977 55.1-148.6-128.4 145.7 18.2 28.5 2.4 36 37 A E E -a 5 0A 46 -32,-2.7 -30,-2.6 -2,-0.4 2,-0.4 -0.965 17.2-172.0-108.6 121.4 21.8 29.8 2.5 37 38 A V E -ac 6 58A 0 20,-3.0 22,-2.3 -2,-0.5 2,-0.5 -0.955 3.0-175.0-116.9 129.7 23.3 30.0 6.1 38 39 A V E -ac 7 59A 0 -32,-2.3 -30,-2.8 -2,-0.4 2,-0.4 -0.966 7.5-160.5-129.1 119.1 26.7 31.7 6.6 39 40 A I E -ac 8 60A 0 20,-2.5 22,-2.7 -2,-0.5 -30,-0.2 -0.797 2.8-161.0-100.5 136.1 28.3 31.6 10.1 40 41 A C E +a 9 0A 0 -32,-2.9 -30,-1.8 -2,-0.4 -29,-0.5 -0.795 15.7 175.3-123.6 85.8 31.1 34.2 10.7 41 42 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.329 45.2 -72.8 -81.5 169.5 33.3 33.4 13.7 42 43 A P > - 0 0 1 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.287 50.3-108.9 -54.6 151.2 36.4 35.2 14.9 43 44 A A G > S+ 0 0 7 1,-0.3 3,-1.6 281,-0.3 4,-0.4 0.848 117.4 68.0 -55.4 -34.8 39.4 34.7 12.6 44 45 A T G 3 S+ 0 0 6 1,-0.3 251,-0.4 2,-0.1 -1,-0.3 0.717 108.8 37.0 -53.9 -27.5 41.0 32.5 15.2 45 46 A Y G <> S+ 0 0 0 -3,-2.3 4,-2.4 2,-0.1 -1,-0.3 0.277 84.6 103.2-114.8 12.0 38.3 29.9 14.6 46 47 A L H <> S+ 0 0 0 -3,-1.6 4,-2.3 -4,-0.3 5,-0.2 0.939 86.1 42.0 -62.7 -53.4 37.7 30.1 10.9 47 48 A D H > S+ 0 0 38 -4,-0.4 4,-2.3 245,-0.4 -1,-0.2 0.943 115.9 49.6 -58.9 -46.8 39.6 27.0 9.9 48 49 A Y H > S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.909 110.0 51.6 -59.2 -45.2 38.2 25.0 12.8 49 50 A S H >X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.6 0.932 109.4 49.0 -60.9 -46.9 34.6 26.1 12.0 50 51 A V H 3< S+ 0 0 41 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.926 107.9 56.1 -54.9 -44.1 35.0 25.0 8.3 51 52 A S H 3< S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.790 109.4 46.4 -63.0 -27.7 36.3 21.6 9.5 52 53 A L H << S+ 0 0 34 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.705 85.6 102.5 -87.1 -23.9 33.2 21.0 11.6 53 54 A V < + 0 0 29 -4,-1.4 -29,-0.1 -3,-0.5 7,-0.0 -0.460 30.3 159.8 -70.1 132.4 30.5 21.9 9.1 54 55 A K + 0 0 170 -31,-0.2 -1,-0.2 -2,-0.2 -30,-0.0 0.416 45.8 95.6-122.1 -9.4 28.8 18.9 7.5 55 56 A K > - 0 0 40 1,-0.1 3,-2.0 2,-0.0 -28,-0.1 -0.727 66.7-143.4 -91.9 122.8 25.5 20.5 6.3 56 57 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.826 98.3 60.0 -62.5 -28.3 25.5 21.7 2.6 57 58 A Q T 3 S+ 0 0 34 -21,-0.1 -20,-3.0 -26,-0.1 2,-0.5 0.566 94.6 79.5 -73.1 -8.4 23.4 24.7 3.4 58 59 A V E < +c 37 0A 6 -3,-2.0 2,-0.3 -22,-0.2 -20,-0.2 -0.894 51.9 164.1-110.1 126.9 26.0 26.1 5.8 59 60 A T E -c 38 0A 41 -22,-2.3 -20,-2.5 -2,-0.5 2,-0.4 -0.810 30.0-115.6-128.9 174.8 29.2 27.9 4.9 60 61 A V E -c 39 0A 3 26,-0.3 28,-2.9 -2,-0.3 29,-0.9 -0.880 25.4-177.1-118.5 140.6 31.7 30.1 6.8 61 62 A G E -d 89 0A 0 -22,-2.7 29,-0.2 -2,-0.4 2,-0.2 -0.929 21.7-121.2-130.4 162.2 32.7 33.7 6.5 62 63 A A E -d 90 0A 0 27,-2.4 29,-2.5 -2,-0.3 3,-0.1 -0.577 16.3-131.3 -94.1 165.4 35.1 36.2 8.1 63 64 A Q S S- 0 0 6 -22,-0.4 2,-0.3 1,-0.3 31,-0.2 0.558 80.5 -11.2 -94.2 -15.8 34.2 39.4 10.0 64 65 A N - 0 0 4 259,-0.1 2,-0.3 28,-0.1 -1,-0.3 -0.900 57.7-177.0-173.8 156.7 36.7 41.8 8.3 65 66 A A - 0 0 1 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.959 28.4-104.1-154.0 168.0 39.7 41.8 6.0 66 67 A Y - 0 0 9 11,-2.6 13,-0.3 -2,-0.3 49,-0.0 -0.238 31.3-110.4 -88.1 175.5 42.2 44.2 4.5 67 68 A L S S+ 0 0 30 47,-0.1 2,-0.3 11,-0.1 11,-0.1 0.294 99.8 58.7 -96.7 8.8 42.3 45.6 0.9 68 69 A K S S- 0 0 118 1,-0.0 11,-0.3 5,-0.0 -2,-0.3 -0.926 74.7-139.5-127.7 154.6 45.5 43.8 -0.0 69 70 A A S S+ 0 0 18 -2,-0.3 2,-0.3 1,-0.2 12,-0.2 0.707 83.4 4.7 -84.7 -26.1 46.1 40.0 0.1 70 71 A S S S+ 0 0 71 191,-0.1 2,-0.3 10,-0.1 191,-0.2 -0.974 81.7 83.1-151.0 163.4 49.6 40.2 1.5 71 72 A G B S-J 260 0C 22 189,-1.9 189,-2.1 -2,-0.3 2,-1.9 -0.869 81.7 -26.9 135.7-164.3 52.2 42.7 2.8 72 73 A A S S+ 0 0 47 -2,-0.3 2,-0.2 187,-0.2 187,-0.1 -0.474 80.1 124.3 -87.9 67.3 53.3 44.7 5.8 73 74 A F > - 0 0 43 -2,-1.9 3,-2.2 3,-0.1 -1,-0.1 -0.600 47.8-157.4-128.0 65.5 50.0 44.9 7.6 74 75 A T T 3 S+ 0 0 0 1,-0.3 -2,-0.1 -2,-0.2 186,-0.0 -0.228 76.6 14.8 -48.9 128.9 50.6 43.5 11.1 75 76 A G T 3 S+ 0 0 10 1,-0.3 -1,-0.3 237,-0.1 2,-0.1 0.283 97.0 119.6 89.3 -7.6 47.3 42.4 12.7 76 77 A E < - 0 0 8 -3,-2.2 2,-0.3 235,-0.1 -1,-0.3 -0.376 57.7-125.2 -85.0 163.3 45.0 42.3 9.6 77 78 A N - 0 0 11 -2,-0.1 -11,-2.6 213,-0.1 2,-0.4 -0.832 20.5-142.1-100.7 150.7 43.1 39.5 8.0 78 79 A S >> - 0 0 0 -2,-0.3 4,-2.4 -13,-0.2 3,-0.6 -0.955 12.5-141.6-115.6 135.2 43.6 38.5 4.3 79 80 A V H 3> S+ 0 0 1 -2,-0.4 4,-2.4 -13,-0.3 5,-0.2 0.831 106.0 56.4 -61.1 -32.8 40.9 37.4 1.9 80 81 A D H 3> S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 109.5 45.5 -65.8 -34.4 43.4 34.9 0.3 81 82 A Q H <> S+ 0 0 6 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.879 110.7 52.9 -75.0 -39.2 44.0 33.3 3.8 82 83 A I H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.4 0.947 112.9 44.8 -57.0 -47.0 40.2 33.2 4.5 83 84 A K H ><5S+ 0 0 108 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.902 106.0 61.7 -64.5 -41.7 39.8 31.4 1.2 84 85 A D H 3<5S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 105.3 46.7 -55.0 -34.9 42.8 29.1 2.0 85 86 A V T 3<5S- 0 0 10 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.402 127.1 -97.8 -95.8 6.3 41.1 27.7 5.0 86 87 A G T < 5S+ 0 0 33 -3,-1.7 -26,-0.3 1,-0.3 -3,-0.2 0.549 73.3 141.0 97.3 7.7 37.8 27.2 3.2 87 88 A A < - 0 0 2 -5,-2.2 -1,-0.3 -6,-0.2 -26,-0.2 -0.495 32.0-164.7 -80.0 157.2 35.7 30.2 4.1 88 89 A K + 0 0 124 -28,-2.9 33,-2.5 -2,-0.2 2,-0.3 0.482 59.9 39.1-122.2 -12.8 33.5 31.8 1.3 89 90 A Y E -de 61 121A 14 -29,-0.9 -27,-2.4 31,-0.2 2,-0.3 -0.929 52.2-156.4-138.1 162.8 32.5 35.2 2.5 90 91 A V E -de 62 122A 0 31,-1.7 33,-2.3 -2,-0.3 2,-0.5 -0.989 21.1-130.8-137.7 137.6 33.7 38.3 4.4 91 92 A I E - e 0 123A 1 -29,-2.5 2,-0.4 -2,-0.3 33,-0.2 -0.745 31.6-175.8 -78.4 126.6 31.6 40.9 6.2 92 93 A L E + e 0 124A 2 31,-2.5 33,-2.5 -2,-0.5 -28,-0.1 -0.986 57.0 17.0-129.7 138.4 32.7 44.4 5.1 93 94 A G S S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.641 71.2 171.9 80.4 16.5 31.5 47.8 6.4 94 95 A H >> - 0 0 2 -31,-0.2 4,-2.2 1,-0.1 3,-1.4 -0.292 44.3-115.9 -55.9 144.0 29.9 46.6 9.6 95 96 A S H 3> S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.828 114.6 60.7 -50.7 -37.3 28.9 49.6 11.8 96 97 A E H 3>>S+ 0 0 9 1,-0.2 5,-0.9 2,-0.2 4,-0.6 0.840 110.5 41.3 -65.2 -28.7 31.4 48.6 14.5 97 98 A R H <45S+ 0 0 7 -3,-1.4 6,-2.0 3,-0.2 4,-0.3 0.868 114.6 49.6 -81.7 -40.6 34.2 49.0 12.0 98 99 A R H <5S+ 0 0 36 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.868 124.2 31.2 -64.5 -35.9 32.8 52.2 10.3 99 100 A S H ><5S+ 0 0 54 -4,-2.6 3,-1.2 -5,-0.2 -3,-0.2 0.961 129.0 26.4 -86.7 -79.0 32.3 53.8 13.8 100 101 A Y T 3<5S+ 0 0 141 -4,-0.6 -3,-0.2 -5,-0.3 -2,-0.1 0.819 131.2 39.1 -61.1 -40.0 34.8 52.7 16.4 101 102 A F T 3 - 0 0 104 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.187 24.8 -99.4 -82.7 171.1 35.4 55.3 5.7 105 106 A D H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.887 122.5 48.7 -59.8 -39.7 33.1 54.7 2.8 106 107 A K H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.867 107.4 56.0 -68.3 -37.4 36.0 54.5 0.2 107 108 A F H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.916 109.9 46.1 -58.4 -44.5 37.9 52.1 2.5 108 109 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 112.3 50.9 -64.1 -43.3 34.9 49.8 2.4 109 110 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.914 111.0 47.8 -58.5 -45.5 34.5 50.2 -1.4 110 111 A D H X S+ 0 0 46 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.908 111.9 49.8 -67.5 -42.3 38.2 49.3 -2.0 111 112 A K H X S+ 0 0 2 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.881 110.8 50.8 -61.6 -39.8 38.0 46.3 0.3 112 113 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.958 110.4 47.4 -66.9 -47.0 34.8 45.0 -1.5 113 114 A K H X S+ 0 0 114 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.924 114.3 48.3 -57.2 -45.8 36.3 45.3 -4.9 114 115 A F H X S+ 0 0 50 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.959 111.1 48.8 -63.0 -48.6 39.4 43.5 -3.7 115 116 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 3,-1.1 0.935 111.0 49.6 -58.1 -47.4 37.6 40.7 -2.0 116 117 A L H ><5S+ 0 0 39 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.885 107.2 55.0 -60.7 -38.8 35.4 40.0 -5.0 117 118 A G H 3<5S+ 0 0 60 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.667 104.7 54.8 -69.6 -18.1 38.4 39.9 -7.3 118 119 A Q T <<5S- 0 0 59 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.324 123.3-104.9 -92.6 3.1 39.9 37.2 -5.1 119 120 A G T < 5S+ 0 0 46 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.741 80.0 127.8 79.7 25.8 36.8 35.0 -5.4 120 121 A V < - 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0 0 13 -3,-1.0 2,-0.9 -4,-0.6 -3,-0.0 -0.385 69.3-119.9 -72.8 151.0 66.7 23.2 13.2 278 31 B S + 0 0 108 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.861 55.0 152.3 -89.7 101.9 69.9 23.0 15.1 279 32 B I - 0 0 25 -2,-0.9 213,-0.1 -5,-0.1 4,-0.1 -0.893 47.6 -95.6-130.5 153.1 69.4 25.7 17.7 280 33 B P - 0 0 46 0, 0.0 3,-0.4 0, 0.0 25,-0.1 -0.320 27.5-126.9 -67.8 157.1 70.7 26.3 21.2 281 34 B E S S+ 0 0 182 1,-0.2 2,-1.1 23,-0.0 -2,-0.0 0.855 100.4 63.5 -68.3 -36.8 68.6 25.2 24.2 282 35 B N S S+ 0 0 111 2,-0.1 -30,-0.6 -31,-0.0 2,-0.3 -0.409 80.8 98.7 -95.2 59.0 68.6 28.6 25.9 283 36 B V E -k 252 0D 9 -2,-1.1 2,-0.5 -3,-0.4 -30,-0.2 -0.966 60.1-143.4-134.6 150.0 66.8 30.7 23.4 284 37 B E E -k 253 0D 44 -32,-2.5 -30,-2.6 -2,-0.3 2,-0.5 -0.983 19.1-172.1-116.4 116.1 63.1 31.8 23.3 285 38 B V E -km 254 306D 0 20,-3.1 22,-2.4 -2,-0.5 2,-0.5 -0.948 3.4-173.6-113.5 125.1 61.5 31.8 19.8 286 39 B V E -km 255 307D 0 -32,-2.2 -30,-2.9 -2,-0.5 2,-0.4 -0.964 6.1-162.1-124.1 114.9 58.0 33.3 19.3 287 40 B I E -km 256 308D 0 20,-2.4 22,-2.6 -2,-0.5 -30,-0.2 -0.785 2.9-162.1 -97.5 135.2 56.4 33.0 15.8 288 41 B C E +k 257 0D 0 -32,-3.1 -30,-1.8 -2,-0.4 -29,-0.5 -0.804 14.9 174.9-125.3 87.9 53.5 35.3 15.1 289 42 B P - 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0 0 65 1,-0.1 4,-2.9 -2,-0.1 5,-0.3 -0.520 25.1-114.9 -76.8 152.9 73.8 50.2 13.6 425 178 B P H > S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.908 116.8 53.0 -52.7 -41.7 74.7 48.0 16.5 426 179 B E H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.930 111.9 43.7 -59.3 -45.5 76.4 50.9 18.3 427 180 B D H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 114.7 49.0 -71.3 -45.4 73.3 53.2 18.0 428 181 B A H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.936 110.1 52.3 -59.8 -46.9 70.9 50.5 19.0 429 182 B Q H X S+ 0 0 28 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.917 109.3 48.7 -53.8 -48.2 73.0 49.6 22.0 430 183 B D H X S+ 0 0 91 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.917 113.9 46.4 -64.0 -39.7 73.1 53.2 23.2 431 184 B I H X S+ 0 0 29 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.927 111.9 50.4 -66.6 -46.6 69.3 53.5 22.8 432 185 B H H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.905 109.7 50.8 -58.9 -42.9 68.6 50.2 24.5 433 186 B A H X S+ 0 0 34 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.903 111.2 49.2 -61.5 -40.2 70.8 51.2 27.5 434 187 B S H X S+ 0 0 46 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.902 111.4 48.9 -65.0 -41.8 68.9 54.5 27.8 435 188 B I H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.921 111.4 49.8 -63.1 -44.7 65.5 52.7 27.7 436 189 B R H X S+ 0 0 21 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.929 111.1 48.8 -62.2 -42.9 66.7 50.2 30.4 437 190 B K H X S+ 0 0 174 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.932 112.3 48.8 -60.6 -46.9 67.9 53.1 32.6 438 191 B F H >X S+ 0 0 21 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.953 112.1 48.5 -56.7 -50.0 64.6 54.9 32.2 439 192 B L H >X>S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 3,-1.1 0.883 102.9 61.2 -66.7 -32.2 62.6 51.8 33.0 440 193 B A H 3X5S+ 0 0 22 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.878 101.7 54.5 -57.5 -36.7 64.7 51.1 36.1 441 194 B S H <<5S+ 0 0 86 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.700 119.4 32.7 -68.7 -20.4 63.5 54.4 37.5 442 195 B K H <<5S+ 0 0 95 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.758 133.4 23.9-103.1 -39.1 59.9 53.4 36.9 443 196 B L H <5S- 0 0 32 -4,-2.9 4,-0.4 1,-0.2 -3,-0.2 0.452 110.2-107.2-113.2 -11.1 59.8 49.6 37.5 444 197 B G X< - 0 0 32 -4,-1.5 4,-2.2 -5,-0.5 -1,-0.2 -0.002 33.5 -77.1 93.8 161.4 62.9 49.1 39.7 445 198 B D H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.849 124.4 54.2 -62.9 -39.8 66.3 47.7 39.2 446 199 B K H > S+ 0 0 137 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.974 111.9 44.2 -61.1 -52.1 65.3 44.0 39.4 447 200 B A H >> S+ 0 0 31 -4,-0.4 4,-1.4 1,-0.2 3,-0.6 0.921 112.9 50.6 -59.6 -45.2 62.7 44.4 36.6 448 201 B A H 3< S+ 0 0 5 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.903 109.4 52.2 -62.6 -37.5 65.0 46.5 34.4 449 202 B S H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.715 114.5 42.5 -69.8 -23.0 67.7 43.8 34.7 450 203 B E H << S+ 0 0 98 -4,-1.3 2,-0.3 -3,-0.6 -1,-0.2 0.584 88.9 107.6 -99.1 -15.6 65.3 41.0 33.7 451 204 B L < - 0 0 5 -4,-1.4 2,-0.5 -3,-0.2 -43,-0.1 -0.500 63.8-136.7 -73.5 124.4 63.5 42.8 30.8 452 205 B R - 0 0 35 -45,-0.5 -43,-2.4 -2,-0.3 2,-0.5 -0.697 17.2-167.5 -76.9 127.7 64.3 41.7 27.3 453 206 B I E -q 409 0D 0 -2,-0.5 21,-2.7 19,-0.2 22,-0.4 -0.980 11.4-161.9-117.2 108.5 64.7 44.7 24.9 454 207 B L E -q 410 0D 0 -45,-3.2 -43,-3.0 -2,-0.5 2,-0.4 -0.645 12.7-135.2 -91.5 150.9 64.7 43.5 21.3 455 208 B Y E +qr 411 476D 0 20,-2.4 22,-1.8 -2,-0.2 2,-0.3 -0.874 29.6 173.0 -95.2 137.2 66.0 45.4 18.2 456 209 B G E + r 0 477D 0 -45,-2.2 22,-0.1 -2,-0.4 -33,-0.1 -0.987 30.3 91.2-139.8 161.0 63.7 45.3 15.1 457 210 B G S S- 0 0 5 20,-0.6 -34,-0.4 -2,-0.3 -40,-0.3 0.418 106.9 -10.5 118.3 90.3 63.8 47.0 11.7 458 211 B S S S+ 0 0 25 1,-0.2 2,-0.5 -36,-0.1 -36,-0.2 0.824 81.2 164.9 60.0 38.0 65.6 45.1 8.9 459 212 B A + 0 0 6 18,-0.3 22,-0.4 4,-0.1 -1,-0.2 -0.743 17.7 162.9 -75.3 123.2 67.1 42.5 11.2 460 213 B N > - 0 0 48 -2,-0.5 4,-2.0 -3,-0.1 22,-0.0 -0.747 54.0 -86.4-141.5 176.0 68.3 39.8 8.9 461 214 B G T 4 S+ 0 0 24 -2,-0.2 4,-0.2 1,-0.2 -2,-0.0 0.652 121.9 47.0 -69.1 -14.2 70.6 36.8 8.6 462 215 B S T 4 S+ 0 0 102 2,-0.1 4,-0.3 3,-0.1 3,-0.2 0.848 118.7 35.2 -89.7 -44.2 73.6 38.9 7.6 463 216 B N T >4 S+ 0 0 31 1,-0.2 3,-1.2 -5,-0.1 4,-0.5 0.729 96.1 80.6 -87.9 -16.6 73.4 41.8 10.2 464 217 B A G >< S+ 0 0 1 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.907 90.0 54.8 -57.8 -41.4 72.1 39.9 13.3 465 218 B V G > S+ 0 0 67 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.775 94.5 69.7 -63.4 -23.7 75.5 38.5 14.2 466 219 B T G < S+ 0 0 79 -3,-1.2 3,-0.3 -4,-0.3 -1,-0.3 0.707 95.7 55.0 -70.4 -13.4 77.0 42.1 14.2 467 220 B F G X S+ 0 0 1 -3,-1.9 3,-1.8 -4,-0.5 -1,-0.3 0.281 75.0 111.6 -93.5 5.4 74.9 42.8 17.4 468 221 B K T < S+ 0 0 89 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.758 79.2 40.0 -57.4 -31.5 76.4 39.8 19.3 469 222 B D T 3 S+ 0 0 146 -3,-0.3 2,-0.9 -4,-0.2 -1,-0.3 0.165 81.3 114.7-105.4 17.4 78.5 41.8 21.9 470 223 B K X - 0 0 64 -3,-1.8 3,-1.7 1,-0.1 -3,-0.0 -0.780 53.3-158.7 -91.6 104.3 75.9 44.5 22.6 471 224 B A T 3 S+ 0 0 73 -2,-0.9 -1,-0.1 1,-0.3 -3,-0.0 0.667 86.2 46.2 -60.4 -25.3 75.0 43.9 26.2 472 225 B D T 3 S+ 0 0 32 -20,-0.0 2,-0.7 -3,-0.0 -1,-0.3 0.408 90.5 89.4-101.8 1.3 71.6 45.7 26.2 473 226 B V < + 0 0 0 -3,-1.7 -19,-0.2 -6,-0.2 -3,-0.1 -0.905 51.9 177.6 -98.1 111.1 70.3 44.1 22.9 474 227 B D - 0 0 9 -21,-2.7 -221,-2.1 -2,-0.7 2,-0.3 0.223 54.5 -51.3-102.5 10.0 68.5 41.0 24.0 475 228 B G E -l 253 0D 0 -22,-0.4 -20,-2.4 -223,-0.2 2,-0.3 -0.965 62.4 -79.6 146.5-165.3 67.2 39.7 20.7 476 229 B F E -lr 254 455D 0 -223,-1.6 -221,-2.9 -2,-0.3 2,-0.6 -0.967 7.4-143.1-140.5 148.2 65.3 40.7 17.7 477 230 B L E -lr 255 456D 1 -22,-1.8 -20,-0.6 -2,-0.3 2,-0.5 -0.985 35.9-162.7-108.4 113.4 61.8 41.2 16.3 478 231 B V E +l 256 0D 1 -223,-2.9 -221,-2.7 -2,-0.6 -18,-0.1 -0.890 20.3 169.3-110.6 124.0 62.1 40.0 12.7 479 232 B G S > S+ 0 0 19 -2,-0.5 3,-2.0 -20,-0.2 4,-0.4 0.762 74.9 16.9 -95.4 -94.9 59.6 40.8 10.0 480 233 B G G > S+ 0 0 51 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.845 124.4 54.6 -52.1 -41.9 60.5 39.9 6.4 481 234 B A G > S+ 0 0 8 -22,-0.4 3,-1.3 1,-0.3 6,-0.5 0.684 91.2 74.5 -72.9 -12.0 63.3 37.4 7.3 482 235 B S G < S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.670 92.5 56.8 -71.9 -14.6 60.9 35.4 9.6 483 236 B L G < S+ 0 0 57 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.460 104.9 66.2 -86.6 -6.3 59.4 34.0 6.3 484 237 B K S X S- 0 0 105 -3,-1.3 3,-1.9 -4,-0.1 4,-0.3 -0.703 91.9-105.0-122.8 160.2 62.8 32.7 5.1 485 238 B P T >> S+ 0 0 78 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.820 110.3 72.6 -55.0 -31.8 65.4 30.1 6.0 486 239 B E H 3> S+ 0 0 50 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.624 73.6 83.8 -63.8 -10.5 67.7 32.7 7.4 487 240 B F H <> S+ 0 0 5 -3,-1.9 4,-1.9 -6,-0.5 -1,-0.3 0.896 89.4 53.8 -54.9 -40.1 65.4 33.1 10.5 488 241 B V H <> S+ 0 0 20 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.2 0.898 103.0 55.1 -62.9 -39.1 67.3 30.1 11.9 489 242 B D H < S+ 0 0 92 -4,-0.5 -1,-0.2 2,-0.2 4,-0.2 0.885 106.0 52.7 -61.0 -36.8 70.6 32.0 11.3 490 243 B I H >< S+ 0 0 0 -4,-1.8 3,-1.5 2,-0.2 -2,-0.2 0.943 107.5 50.5 -62.2 -43.8 69.3 34.9 13.4 491 244 B I H 3< S+ 0 0 1 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.870 115.4 44.7 -61.4 -34.7 68.4 32.4 16.2 492 245 B N T >< S+ 0 0 34 -4,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.308 81.1 106.9 -88.7 7.0 72.0 31.1 16.0 493 246 B S T < S+ 0 0 8 -3,-1.5 -1,-0.2 1,-0.3 -25,-0.1 0.609 77.6 50.4 -70.7 -12.4 73.6 34.5 15.8 494 247 B R T 3 0 0 80 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.214 360.0 360.0-104.4 11.1 75.1 34.4 19.3 495 248 B N < 0 0 136 -3,-2.0 -1,-0.2 -215,-0.0 -2,-0.1 0.755 360.0 360.0 -65.9 360.0 76.6 31.0 18.9