==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-AUG-11 3TA6 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.E.CONNOR,G.C.CAPODAGLI,M.K.DEATON,S.D.PEGAN . 511 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 12.9 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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 4 4 0 0 0 2 1 3 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 6 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 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 3 A R 0 0 115 0, 0.0 207,-0.1 0, 0.0 208,-0.1 0.000 360.0 360.0 360.0 130.3 -25.7 -14.5 16.8 2 4 A K - 0 0 75 206,-0.1 35,-0.1 1,-0.1 252,-0.1 -0.572 360.0-117.2 -70.4 124.6 -25.6 -12.3 20.0 3 5 A P - 0 0 22 0, 0.0 35,-2.8 0, 0.0 2,-0.4 -0.270 24.7-149.4 -66.6 156.3 -26.5 -8.8 19.0 4 6 A L E -ab 38 233A 0 228,-2.2 230,-1.7 33,-0.2 2,-0.6 -0.996 11.9-169.8-129.9 127.2 -24.1 -5.9 19.4 5 7 A I E -ab 39 234A 0 33,-2.8 35,-2.5 -2,-0.4 2,-0.5 -0.968 14.9-178.9-116.8 111.0 -24.9 -2.3 20.1 6 8 A A E -ab 40 235A 0 228,-2.7 230,-2.8 -2,-0.6 2,-0.8 -0.956 17.7-144.2-117.1 124.2 -21.8 -0.1 19.6 7 9 A G E -ab 41 236A 0 33,-2.9 35,-2.4 -2,-0.5 2,-1.0 -0.795 4.6-158.9 -95.9 106.8 -21.9 3.6 20.2 8 10 A N E -a 42 0A 3 228,-2.6 232,-0.2 -2,-0.8 233,-0.1 -0.731 8.1-175.4 -82.2 103.4 -19.7 5.7 18.0 9 11 A W - 0 0 1 33,-1.7 -1,-0.2 -2,-1.0 323,-0.2 0.676 18.8-165.5 -71.3 -16.3 -19.3 8.9 20.0 10 12 A K - 0 0 43 32,-0.5 2,-1.8 1,-0.2 -1,-0.2 -0.257 61.9 -20.3 54.8-149.7 -17.4 10.6 17.1 11 13 A M B S+I 332 0B 0 321,-2.1 321,-2.0 32,-0.1 2,-0.3 -0.487 109.8 112.2 -90.2 72.0 -15.6 13.7 18.1 12 14 A N + 0 0 36 -2,-1.8 319,-0.1 319,-0.2 -3,-0.0 -0.998 47.0 30.9-146.9 140.0 -17.6 14.4 21.2 13 15 A L - 0 0 36 -2,-0.3 -1,-0.2 30,-0.1 34,-0.1 0.735 58.8-123.9 87.1 122.1 -17.1 14.5 25.0 14 16 A N > - 0 0 13 1,-0.1 4,-2.2 327,-0.0 5,-0.1 -0.157 45.6 -84.4 -78.7-177.8 -14.1 15.2 27.1 15 17 A H H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.805 127.1 41.9 -71.9 -28.9 -12.7 12.7 29.6 16 18 A Y H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.827 112.9 53.6 -90.4 -21.2 -14.9 13.5 32.6 17 19 A E H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.867 106.6 56.6 -63.0 -35.5 -18.0 13.8 30.3 18 20 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 105.3 48.7 -61.5 -45.0 -16.9 10.3 29.2 19 21 A I H X S+ 0 0 49 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.938 111.8 49.6 -61.0 -45.1 -17.0 8.9 32.7 20 22 A A H X S+ 0 0 56 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.898 110.4 50.2 -63.2 -39.9 -20.4 10.4 33.3 21 23 A L H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.938 110.5 48.9 -65.1 -45.9 -21.8 8.9 30.1 22 24 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.927 112.5 48.6 -58.6 -43.3 -20.5 5.5 30.9 23 25 A Q H X S+ 0 0 98 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.883 108.9 53.7 -65.9 -34.4 -22.0 5.7 34.4 24 26 A K H X S+ 0 0 90 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.914 110.0 47.2 -63.5 -43.3 -25.4 6.9 32.9 25 27 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.950 113.2 47.9 -61.7 -48.2 -25.4 3.8 30.6 26 28 A A H < S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 113.6 48.4 -62.5 -35.0 -24.6 1.5 33.4 27 29 A F H < S+ 0 0 178 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.844 115.9 44.1 -68.3 -35.8 -27.3 3.2 35.6 28 30 A S H < S+ 0 0 36 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.732 99.9 72.4 -87.5 -26.1 -29.9 2.9 32.9 29 31 A L S < S- 0 0 5 -4,-2.1 -1,-0.1 -5,-0.1 5,-0.1 -0.831 80.4-129.6-100.3 112.2 -29.4 -0.6 31.6 30 32 A P > - 0 0 60 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.312 21.1-122.1 -57.2 142.4 -30.6 -3.4 33.8 31 33 A D G > S+ 0 0 100 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.774 104.6 73.4 -59.6 -29.5 -27.9 -6.1 34.3 32 34 A K G > S+ 0 0 116 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.729 86.9 65.9 -57.4 -23.6 -30.1 -8.9 32.9 33 35 A Y G X> S+ 0 0 48 -3,-1.9 3,-2.0 1,-0.2 4,-1.2 0.780 81.9 73.4 -72.6 -27.0 -29.6 -7.5 29.4 34 36 A Y G <4 S+ 0 0 13 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.788 89.7 59.7 -62.1 -28.0 -25.9 -8.2 29.1 35 37 A D G <4 S+ 0 0 114 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.701 115.4 36.7 -67.5 -17.3 -26.5 -11.9 28.7 36 38 A R T <4 S+ 0 0 99 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.513 122.8 30.0-115.6 -12.5 -28.6 -11.0 25.6 37 39 A V < - 0 0 0 -4,-1.2 2,-0.4 -35,-0.1 -1,-0.3 -0.988 66.1-133.7-149.9 138.9 -26.7 -8.1 24.0 38 40 A D E -a 4 0A 46 -35,-2.8 -33,-2.8 -2,-0.3 2,-0.5 -0.813 26.5-162.4 -88.1 133.9 -23.1 -6.9 23.8 39 41 A V E +a 5 0A 3 -2,-0.4 24,-2.3 22,-0.3 2,-0.4 -0.983 11.8 175.0-126.4 124.2 -22.8 -3.2 24.5 40 42 A A E -ac 6 63A 0 -35,-2.5 -33,-2.9 -2,-0.5 2,-0.4 -0.968 19.8-150.3-130.0 144.9 -19.8 -1.1 23.6 41 43 A V E -ac 7 64A 0 22,-2.1 24,-1.9 -2,-0.4 -33,-0.2 -0.913 6.2-160.5-108.8 145.5 -18.8 2.6 23.8 42 44 A I E +a 8 0A 0 -35,-2.4 -33,-1.7 -2,-0.4 -32,-0.5 -0.760 21.9 175.6-128.6 81.7 -16.4 4.0 21.2 43 45 A P - 0 0 0 0, 0.0 24,-0.4 0, 0.0 -30,-0.1 -0.306 39.5 -78.4 -82.5 167.9 -15.0 7.3 22.6 44 46 A P > - 0 0 2 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.248 50.1-104.8 -54.0 153.7 -12.3 9.7 21.3 45 47 A F G > S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.824 119.5 60.0 -51.7 -39.5 -8.8 8.5 21.8 46 48 A T G 3 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.597 102.7 52.6 -71.6 -11.6 -8.2 11.0 24.6 47 49 A D G <> S+ 0 0 1 -3,-2.2 4,-2.2 1,-0.1 -1,-0.3 0.438 83.3 91.0 -96.2 -4.5 -11.1 9.5 26.7 48 50 A L H <> S+ 0 0 0 -3,-1.3 4,-3.2 -4,-0.4 5,-0.2 0.891 82.5 51.1 -68.6 -41.0 -9.8 5.9 26.6 49 51 A R H > S+ 0 0 72 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.916 112.6 47.8 -58.9 -44.0 -7.7 5.9 29.7 50 52 A S H > S+ 0 0 3 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.921 115.4 44.4 -64.5 -43.7 -10.7 7.3 31.8 51 53 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.927 112.5 52.4 -67.1 -44.5 -13.1 4.8 30.3 52 54 A Q H X S+ 0 0 19 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.925 110.5 46.6 -57.7 -48.4 -10.7 1.9 30.8 53 55 A T H X S+ 0 0 56 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.892 115.2 46.9 -67.0 -35.0 -10.0 2.6 34.4 54 56 A L H X S+ 0 0 19 -4,-1.8 4,-2.3 -5,-0.2 6,-0.3 0.952 115.0 45.2 -67.0 -48.3 -13.7 3.0 35.2 55 57 A V H <>S+ 0 0 10 -4,-3.0 5,-2.1 1,-0.2 4,-0.4 0.924 121.5 38.3 -64.1 -43.9 -14.7 -0.2 33.3 56 58 A D H ><5S+ 0 0 90 -4,-2.8 3,-0.7 -5,-0.3 -1,-0.2 0.917 116.4 51.0 -73.1 -43.2 -11.9 -2.2 34.9 57 59 A G H 3<5S+ 0 0 53 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.824 120.4 34.2 -66.0 -33.5 -12.1 -0.6 38.3 58 60 A D T 3<5S- 0 0 96 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.351 105.3-124.3-103.1 6.1 -15.9 -1.2 38.6 59 61 A K T < 5 - 0 0 179 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.899 42.7-174.6 52.5 46.9 -16.0 -4.5 36.7 60 62 A L < - 0 0 47 -5,-2.1 -1,-0.1 -6,-0.3 -2,-0.0 -0.383 28.5-141.0 -72.6 151.0 -18.5 -3.1 34.3 61 63 A R S S+ 0 0 106 -2,-0.1 2,-0.4 2,-0.1 -22,-0.3 0.595 75.1 95.2 -88.7 -13.4 -20.0 -5.4 31.6 62 64 A L - 0 0 1 -24,-0.1 -22,-0.2 -40,-0.1 2,-0.1 -0.668 64.4-152.1 -82.5 135.0 -20.0 -2.8 28.9 63 65 A T E -c 40 0A 46 -24,-2.3 -22,-2.1 -2,-0.4 2,-0.3 -0.284 7.7-149.1 -98.5 179.3 -16.9 -2.9 26.6 64 66 A Y E +c 41 0A 7 26,-0.3 28,-3.2 -24,-0.3 29,-1.1 -0.941 14.0 176.7-149.6 166.6 -15.2 -0.2 24.6 65 67 A G E -d 93 0A 0 -24,-1.9 29,-0.2 -2,-0.3 2,-0.2 -0.919 26.3 -99.7-157.9-176.1 -13.2 0.6 21.5 66 68 A A E -d 94 0A 0 27,-1.9 29,-2.6 -2,-0.3 3,-0.1 -0.716 19.6-127.7-117.7 167.9 -11.6 3.3 19.4 67 69 A Q S S- 0 0 3 -24,-0.4 2,-0.3 -2,-0.2 31,-0.2 0.482 82.8 -8.2 -95.8 -5.9 -12.6 5.2 16.3 68 70 A D - 0 0 15 268,-0.1 2,-0.3 28,-0.1 -1,-0.1 -0.959 54.9-163.8-173.4 166.2 -9.4 4.6 14.1 69 71 A L - 0 0 0 -2,-0.3 13,-0.2 26,-0.1 50,-0.1 -0.958 30.8 -98.2-157.6 161.0 -5.9 3.3 14.2 70 72 A S - 0 0 5 11,-2.8 13,-0.4 -2,-0.3 -2,-0.0 -0.433 24.7-128.4 -71.8 150.7 -2.7 3.5 12.1 71 73 A P S S+ 0 0 33 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.682 92.3 73.1 -70.4 -10.5 -1.9 0.7 9.6 72 74 A H S S- 0 0 75 1,-0.1 11,-0.4 9,-0.1 -2,-0.2 -0.675 77.2-137.1-105.7 156.8 1.6 0.6 11.3 73 75 A D S S- 0 0 81 1,-0.2 11,-0.3 -2,-0.2 2,-0.3 0.858 76.1 -31.0 -78.8 -34.2 2.6 -0.7 14.7 74 76 A S S S+ 0 0 69 195,-0.1 2,-0.3 10,-0.1 -1,-0.2 -0.974 82.5 74.2-168.5 167.3 4.9 2.2 15.7 75 77 A G B S+J 268 0C 18 193,-2.0 193,-2.2 -2,-0.3 2,-2.2 -0.802 80.5 1.7 124.7-151.7 7.3 4.9 14.5 76 78 A A S S+ 0 0 43 -2,-0.3 2,-0.1 191,-0.2 191,-0.1 -0.436 79.4 118.8 -85.1 70.3 7.5 8.3 12.7 77 79 A Y > - 0 0 46 -2,-2.2 3,-2.5 3,-0.1 -1,-0.1 -0.606 53.6-154.1-133.2 66.7 3.8 8.9 12.2 78 80 A T T 3 S+ 0 0 1 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 -0.170 77.8 15.1 -51.9 128.1 3.3 12.1 14.1 79 81 A G T 3 S+ 0 0 6 1,-0.3 -1,-0.3 246,-0.1 2,-0.2 0.197 100.1 116.5 95.5 -14.8 -0.4 12.4 15.3 80 82 A D < - 0 0 23 -3,-2.5 2,-0.4 244,-0.1 -1,-0.3 -0.582 55.1-137.9 -97.0 153.5 -1.3 8.8 14.6 81 83 A V - 0 0 4 -2,-0.2 -11,-2.8 -3,-0.1 2,-0.3 -0.905 14.9-136.1-115.4 132.2 -2.4 6.1 17.2 82 84 A S >> - 0 0 0 -2,-0.4 4,-1.6 -13,-0.2 3,-0.8 -0.607 15.9-130.2 -87.4 144.2 -1.2 2.5 17.2 83 85 A G H 3> S+ 0 0 0 -13,-0.4 4,-2.6 -11,-0.4 5,-0.2 0.773 109.8 65.8 -56.0 -26.9 -3.4 -0.6 17.7 84 86 A A H 3> S+ 0 0 31 -11,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.901 101.3 47.6 -63.1 -39.7 -0.7 -1.6 20.3 85 87 A F H <> S+ 0 0 10 -3,-0.8 4,-1.4 2,-0.2 187,-0.2 0.905 112.1 49.6 -67.1 -41.1 -1.8 1.4 22.4 86 88 A L H <>S+ 0 0 0 -4,-1.6 5,-2.4 2,-0.2 -2,-0.2 0.905 111.0 49.3 -63.3 -44.5 -5.4 0.5 22.0 87 89 A A H ><5S+ 0 0 38 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.913 108.0 53.0 -61.4 -43.2 -4.8 -3.1 23.0 88 90 A K H 3<5S+ 0 0 115 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 106.5 54.8 -65.4 -27.9 -2.8 -2.1 26.1 89 91 A L T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.313 120.8-110.4 -84.2 6.4 -5.8 0.1 27.1 90 92 A G T < 5 + 0 0 37 -3,-2.0 -26,-0.3 1,-0.2 -3,-0.2 0.672 55.3 168.2 77.2 17.7 -8.1 -3.0 26.9 91 93 A C < - 0 0 9 -5,-2.4 -26,-0.2 1,-0.1 -1,-0.2 -0.412 21.1-168.8 -61.5 140.8 -10.0 -1.9 23.8 92 94 A S + 0 0 44 -28,-3.2 33,-2.4 1,-0.1 2,-0.3 0.727 67.7 29.9 -95.8 -31.3 -12.2 -4.7 22.3 93 95 A Y E -de 65 125A 16 -29,-1.1 -27,-1.9 31,-0.2 2,-0.3 -0.868 54.2-167.3-129.4 157.3 -13.1 -2.9 19.0 94 96 A V E -de 66 126A 0 31,-2.0 33,-2.6 -2,-0.3 2,-0.3 -0.949 23.0-131.0-145.3 130.4 -11.7 -0.4 16.6 95 97 A V E - e 0 127A 1 -29,-2.6 2,-0.4 -2,-0.3 33,-0.2 -0.625 27.3-175.1 -77.2 132.2 -13.7 1.3 13.8 96 98 A V E + e 0 128A 1 31,-2.7 33,-2.5 -2,-0.3 -28,-0.1 -0.998 60.7 9.9-129.2 138.0 -12.0 1.1 10.4 97 99 A G S S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.713 71.7 176.3 72.5 23.6 -13.2 2.8 7.2 98 100 A H >> - 0 0 9 -31,-0.2 4,-2.4 1,-0.1 3,-1.0 -0.332 42.9-115.1 -54.0 141.7 -16.0 4.9 8.6 99 101 A S H 3> S+ 0 0 16 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.818 116.1 58.6 -50.4 -34.9 -17.4 7.1 5.8 100 102 A E H 3> S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.891 110.1 42.4 -66.0 -36.5 -16.2 10.2 7.6 101 103 A R H <> S+ 0 0 11 -3,-1.0 4,-1.4 3,-0.2 6,-0.7 0.884 111.6 54.6 -76.2 -35.8 -12.6 8.9 7.4 102 104 A R H <>S+ 0 0 34 -4,-2.4 5,-0.6 4,-0.2 4,-0.3 0.909 121.5 30.2 -61.6 -40.2 -13.0 7.7 3.8 103 105 A T H ><5S+ 0 0 82 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.949 128.0 34.8 -87.1 -54.1 -14.1 11.1 2.7 104 106 A Y H 3<5S+ 0 0 125 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.759 129.4 34.6 -73.8 -24.3 -12.4 13.7 5.0 105 107 A H T 3<5S- 0 0 55 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.185 103.9-116.6-124.5 17.3 -9.2 11.6 5.3 106 108 A N T < 5 + 0 0 107 -3,-0.5 2,-0.7 -4,-0.3 -4,-0.2 0.901 49.5 166.1 55.5 50.4 -8.7 9.9 2.0 107 109 A E < - 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0 0 36 -5,-0.3 4,-2.8 -43,-0.2 5,-0.2 -0.967 35.3-106.5-149.5 161.4 5.4 43.5 14.8 460 205 B P H > S+ 0 0 88 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.918 121.3 50.4 -54.4 -43.5 9.2 43.7 15.6 461 206 B R H 4 S+ 0 0 208 1,-0.2 4,-0.5 2,-0.2 3,-0.1 0.931 112.9 45.4 -61.5 -46.4 8.3 43.6 19.3 462 207 B I H >> S+ 0 0 34 1,-0.2 3,-1.7 2,-0.2 4,-0.8 0.926 110.1 53.9 -63.1 -44.3 6.1 40.6 18.9 463 208 B A H >< S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.841 100.6 61.2 -62.2 -32.4 8.6 38.7 16.7 464 209 B D T 3< S+ 0 0 96 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.657 106.6 47.1 -68.4 -15.0 11.3 39.1 19.3 465 210 B T T <4 S+ 0 0 81 -3,-1.7 2,-0.4 -4,-0.5 -1,-0.2 0.569 87.2 102.9 -97.7 -15.8 9.2 37.1 21.7 466 211 B V << - 0 0 1 -4,-0.8 2,-0.4 -3,-0.7 -43,-0.1 -0.566 69.4-133.0 -78.0 126.2 8.2 34.2 19.4 467 212 B R - 0 0 44 -45,-0.5 -43,-2.2 -2,-0.4 2,-0.5 -0.662 18.7-165.5 -80.2 127.0 10.2 31.0 20.0 468 213 B V E -q 424 0D 0 -2,-0.4 21,-3.2 -45,-0.2 22,-0.4 -0.967 11.4-162.2-115.3 113.2 11.5 29.5 16.8 469 214 B L E -q 425 0D 0 -45,-3.4 -43,-3.0 -2,-0.5 2,-0.5 -0.659 19.4-124.3 -99.6 151.7 12.7 25.9 17.2 470 215 B Y E -qr 426 491D 7 20,-2.6 22,-2.3 -2,-0.3 -43,-0.2 -0.837 23.3-175.6 -89.0 129.6 14.9 23.7 15.2 471 216 B G + 0 0 15 -45,-3.3 -44,-0.1 -2,-0.5 3,-0.1 0.054 48.1 98.0-118.5 22.6 13.1 20.4 14.2 472 217 B G S S- 0 0 14 -46,-0.3 2,-0.4 1,-0.2 22,-0.3 -0.075 95.1 -37.6 -84.3-161.6 15.9 18.5 12.5 473 218 B S - 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0 0 4 -3,-1.0 -19,-0.2 -6,-0.2 3,-0.1 -0.907 47.1-177.6-106.0 123.5 17.2 29.4 17.3 489 234 B D - 0 0 11 -21,-3.2 -228,-2.1 -2,-0.5 2,-0.3 0.191 55.6 -56.8-109.3 14.0 15.3 29.1 20.6 490 235 B G E -l 261 0D 0 -22,-0.4 -20,-2.6 -230,-0.2 2,-0.4 -0.976 63.1 -67.9 143.8-159.3 15.4 25.3 21.2 491 236 B G E -lr 262 470D 1 -230,-1.7 -228,-2.8 -2,-0.3 2,-0.8 -0.982 7.6-146.4-140.9 142.7 14.4 22.0 19.6 492 237 B L E -l 263 0D 8 -22,-2.3 2,-0.3 -2,-0.4 -228,-0.2 -0.954 45.9-152.8-100.8 100.0 11.5 19.9 18.6 493 238 B V E -l 264 0D 1 -230,-2.8 -228,-2.7 -2,-0.8 -20,-0.1 -0.607 18.6-170.4 -89.8 139.5 13.2 16.7 19.3 494 239 B G > - 0 0 20 -2,-0.3 3,-2.4 -22,-0.3 4,-0.2 0.594 68.5 -1.5 -91.8-117.4 12.6 13.3 17.7 495 240 B G G > S+ 0 0 61 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.745 121.3 65.7 -54.7 -32.9 14.0 9.9 18.7 496 241 B A G > S+ 0 0 24 -22,-0.4 3,-1.4 1,-0.3 7,-0.3 0.756 88.2 72.0 -61.2 -21.3 16.1 11.2 21.6 497 242 B S G < S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.650 86.8 64.6 -69.8 -12.3 12.8 12.2 23.4 498 243 B L G < S+ 0 0 57 -3,-1.9 2,-0.6 -4,-0.2 -1,-0.2 0.553 90.4 70.2 -87.5 -9.4 12.1 8.5 24.0 499 244 B D S <> S- 0 0 64 -3,-1.4 4,-2.9 -4,-0.2 5,-0.2 -0.949 72.1-155.1-110.8 114.7 15.1 8.0 26.3 500 245 B G H > S+ 0 0 5 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.879 92.2 45.8 -61.9 -41.6 14.5 9.8 29.6 501 246 B E H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 115.2 46.9 -65.4 -45.2 18.2 10.2 30.5 502 247 B H H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 113.1 49.4 -63.1 -42.3 19.1 11.4 27.0 503 248 B F H X S+ 0 0 0 -4,-2.9 4,-2.0 -7,-0.3 -1,-0.2 0.924 110.0 50.5 -65.5 -42.9 16.2 13.8 26.9 504 249 B A H X S+ 0 0 6 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.905 108.4 53.8 -58.0 -42.7 17.1 15.2 30.3 505 250 B T H X S+ 0 0 66 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.914 106.0 52.5 -59.2 -43.2 20.7 15.7 29.0 506 251 B L H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.921 110.7 47.5 -57.7 -45.3 19.4 17.7 26.0 507 252 B A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.914 110.8 51.3 -63.7 -43.3 17.5 20.0 28.3 508 253 B A H X S+ 0 0 22 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.905 111.6 47.4 -60.1 -43.8 20.5 20.4 30.6 509 254 B I H < S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.937 111.0 50.8 -62.9 -46.7 22.7 21.4 27.7 510 255 B A H < S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.5 48.7 -59.1 -35.3 20.1 23.8 26.3 511 256 B A H < 0 0 16 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.865 360.0 360.0 -69.6 -42.2 19.9 25.4 29.8 512 257 B G < 0 0 85 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.636 360.0 360.0 -99.9 360.0 23.7 25.9 30.4