==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-DEC-11 3UWZ . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.MUKHERJEE,A.ROYCHOWDHURY,D.DUTTA,A.K.DAS . 504 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 14.1 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 . 38 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 34.1 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 2 3 5 2 0 3 3 0 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 9 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 0 A S 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.4 21.5 21.4 29.1 2 1 A M + 0 0 150 1,-0.1 2,-0.5 2,-0.1 206,-0.1 0.970 360.0 50.0 -56.4 -73.9 21.6 19.4 25.7 3 2 A R S S- 0 0 40 204,-0.1 -1,-0.1 206,-0.1 206,-0.1 -0.614 85.1-126.6 -80.4 119.7 18.3 19.7 24.0 4 3 A T - 0 0 45 -2,-0.5 32,-0.1 1,-0.1 31,-0.1 -0.471 30.8-110.7 -64.6 125.0 17.0 23.3 23.7 5 4 A P - 0 0 26 0, 0.0 32,-2.9 0, 0.0 2,-0.4 -0.317 33.8-161.1 -55.3 137.1 13.4 23.5 25.1 6 5 A I E -ab 37 233A 0 226,-2.1 228,-1.1 30,-0.2 2,-0.7 -0.970 9.9-169.0-128.6 115.6 10.8 24.1 22.5 7 6 A I E -ab 38 234A 0 30,-2.9 32,-2.4 -2,-0.4 2,-0.6 -0.920 8.6-174.3-102.2 115.0 7.3 25.5 23.2 8 7 A A E -ab 39 235A 0 226,-2.8 228,-2.3 -2,-0.7 2,-0.8 -0.944 13.2-150.7-112.2 114.2 5.0 25.3 20.2 9 8 A G E -ab 40 236A 0 30,-3.6 32,-3.2 -2,-0.6 2,-1.0 -0.764 6.7-156.0 -84.4 111.6 1.6 26.9 20.6 10 9 A N E -a 41 0A 3 226,-2.7 230,-0.2 -2,-0.8 32,-0.1 -0.783 12.5-177.7 -88.1 101.4 -0.9 25.0 18.4 11 10 A W - 0 0 1 30,-2.0 318,-0.2 -2,-1.0 -1,-0.2 0.643 20.1-168.8 -70.5 -14.1 -3.7 27.5 17.7 12 11 A K - 0 0 40 29,-0.4 2,-1.5 1,-0.2 -1,-0.2 -0.271 63.3 -15.4 51.9-140.6 -5.6 24.8 15.8 13 12 A M B S+I 329 0B 1 316,-2.1 316,-1.6 -3,-0.1 2,-0.3 -0.605 106.5 120.4 -92.6 79.5 -8.5 26.4 13.9 14 13 A N + 0 0 26 -2,-1.5 314,-0.1 314,-0.2 -3,-0.1 -0.988 40.4 23.6-142.3 151.8 -8.7 29.7 15.6 15 14 A K - 0 0 47 -2,-0.3 321,-0.2 27,-0.1 2,-0.1 0.501 63.6-104.3 82.3 141.4 -8.5 33.5 15.0 16 15 A T > - 0 0 9 322,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.426 43.8-100.1 -77.5 168.2 -9.0 35.8 12.0 17 16 A V H > S+ 0 0 3 322,-0.3 4,-1.8 2,-0.2 5,-0.1 0.916 126.7 53.5 -54.6 -44.4 -5.9 37.2 10.3 18 17 A Q H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 107.9 48.8 -58.3 -46.1 -6.5 40.4 12.2 19 18 A E H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 107.5 55.0 -64.3 -36.0 -6.6 38.6 15.5 20 19 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.882 109.3 48.5 -61.5 -38.5 -3.4 36.8 14.7 21 20 A K H X S+ 0 0 70 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.902 107.9 54.1 -67.0 -42.3 -1.8 40.2 14.1 22 21 A D H X S+ 0 0 85 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.911 107.2 52.4 -57.4 -45.3 -3.2 41.5 17.4 23 22 A F H >X S+ 0 0 8 -4,-2.3 4,-0.8 1,-0.2 3,-0.8 0.960 114.7 38.9 -55.2 -58.2 -1.6 38.6 19.3 24 23 A V H >< S+ 0 0 2 -4,-1.9 3,-0.6 1,-0.2 35,-0.4 0.857 112.4 56.5 -66.7 -35.9 2.0 39.2 17.8 25 24 A N H 3< S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.743 110.9 46.7 -64.6 -22.1 1.7 43.0 18.0 26 25 A A H << S+ 0 0 64 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.575 82.0 117.0 -97.4 -13.1 1.0 42.6 21.8 27 26 A L << - 0 0 19 -4,-0.8 32,-0.3 -3,-0.6 3,-0.1 -0.310 56.3-140.1 -62.1 134.7 3.7 40.1 22.8 28 27 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.142 52.1 -47.4 -77.1-174.2 6.2 41.4 25.3 29 28 A T - 0 0 139 1,-0.1 32,-0.1 30,-0.1 0, 0.0 -0.371 67.1-140.8 -55.0 127.1 10.0 40.7 25.1 30 29 A L - 0 0 20 30,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.521 23.1 -89.7 -91.1 158.0 10.4 36.9 24.6 31 30 A P - 0 0 15 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.291 60.7 -79.5 -60.6 154.3 13.0 34.6 26.2 32 31 A D >> - 0 0 97 1,-0.1 4,-2.4 5,-0.1 3,-1.2 -0.293 37.6-122.7 -55.7 138.9 16.2 34.2 24.2 33 32 A S T 34 S+ 0 0 47 1,-0.3 -1,-0.1 2,-0.2 28,-0.0 0.739 111.6 51.1 -54.6 -29.4 16.0 31.8 21.3 34 33 A K T 34 S+ 0 0 178 1,-0.1 -1,-0.3 2,-0.1 3,-0.2 0.622 111.9 45.5 -90.2 -17.9 18.8 29.7 22.8 35 34 A E T <4 S- 0 0 116 -3,-1.2 2,-0.4 1,-0.3 -2,-0.2 0.905 134.4 -1.3 -81.4 -57.1 17.3 29.4 26.2 36 35 A V < - 0 0 0 -4,-2.4 2,-0.5 -32,-0.1 -1,-0.3 -0.997 69.7-136.5-138.3 131.5 13.7 28.6 25.1 37 36 A E E -a 6 0A 13 -32,-2.9 -30,-2.9 -2,-0.4 2,-0.5 -0.785 19.7-154.2 -91.5 125.4 12.4 28.3 21.5 38 37 A S E +a 7 0A 2 -2,-0.5 25,-2.6 23,-0.4 2,-0.4 -0.868 16.8 174.8-105.8 125.9 9.1 30.0 20.9 39 38 A V E -ac 8 63A 0 -32,-2.4 -30,-3.6 -2,-0.5 2,-0.5 -0.995 19.8-163.6-134.5 133.2 6.8 28.8 18.1 40 39 A I E -ac 9 64A 0 23,-1.8 25,-3.0 -2,-0.4 2,-0.8 -0.979 11.4-159.2-108.2 119.8 3.2 29.7 17.1 41 40 A C E +ac 10 65A 0 -32,-3.2 -30,-2.0 -2,-0.5 -29,-0.4 -0.886 24.9 176.7-100.6 108.6 1.7 27.2 14.7 42 41 A A E - c 0 66A 0 23,-2.1 25,-0.5 -2,-0.8 5,-0.1 -0.671 35.9 -84.6-114.4 159.5 -1.1 29.0 12.9 43 42 A P >> - 0 0 5 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.333 46.3-111.1 -58.1 148.2 -3.7 28.3 10.2 44 43 A A G >4 S+ 0 0 15 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.805 114.4 66.3 -50.7 -38.2 -2.3 28.7 6.7 45 44 A I G 34 S+ 0 0 2 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.753 106.0 43.0 -59.1 -23.5 -4.5 31.8 6.1 46 45 A Q G <> S+ 0 0 1 -3,-2.1 4,-2.3 1,-0.1 -1,-0.3 0.546 86.2 91.2-100.3 -11.4 -2.5 33.7 8.8 47 46 A L H S+ 0 0 16 -4,-0.5 4,-2.2 251,-0.2 -1,-0.2 0.964 112.3 43.9 -66.2 -51.4 1.8 35.6 5.6 49 48 A A H > S+ 0 0 8 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.906 116.4 47.6 -59.6 -44.5 0.7 38.2 8.2 50 49 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.953 113.4 44.6 -64.1 -54.5 2.6 36.5 11.0 51 50 A T H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.858 113.9 52.7 -59.9 -35.6 5.9 36.0 9.2 52 51 A T H X S+ 0 0 47 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.929 107.7 50.8 -63.4 -45.6 5.6 39.6 7.9 53 52 A A H <>S+ 0 0 8 -4,-2.3 5,-2.1 2,-0.2 4,-0.3 0.891 111.5 47.4 -59.8 -42.6 5.2 40.9 11.5 54 53 A V H ><5S+ 0 0 37 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.918 110.7 51.2 -66.4 -43.9 8.2 39.0 12.7 55 54 A K H 3<5S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.787 107.1 56.7 -59.6 -28.6 10.3 40.2 9.8 56 55 A E T 3<5S- 0 0 155 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.448 128.5 -91.9 -88.3 -2.3 9.2 43.8 10.7 57 56 A G T X 5S+ 0 0 39 -3,-1.4 3,-0.6 1,-0.4 -3,-0.2 0.310 81.7 130.2 114.3 -7.6 10.5 43.6 14.2 58 57 A K T 3 S- 0 0 11 -35,-0.4 3,-2.7 -32,-0.3 -1,-0.2 0.836 86.9-146.5 43.6 48.6 7.9 39.4 18.7 60 59 A Q T < S+ 0 0 163 -3,-0.6 -30,-0.5 1,-0.3 -1,-0.2 -0.168 80.1 22.0 -48.8 123.1 11.7 39.3 18.2 61 60 A G T 3 S+ 0 0 32 1,-0.4 -23,-0.4 -3,-0.2 -1,-0.3 0.115 90.2 129.4 105.5 -20.3 12.8 35.6 18.4 62 61 A L < - 0 0 2 -3,-2.7 -1,-0.4 -4,-0.2 2,-0.3 -0.445 43.7-153.4 -69.5 135.7 9.5 34.0 17.6 63 62 A E E -c 39 0A 56 -25,-2.6 -23,-1.8 -2,-0.2 2,-0.4 -0.864 10.1-133.0-106.4 149.2 9.4 31.4 15.0 64 63 A I E -c 40 0A 4 26,-0.4 28,-3.0 -2,-0.3 29,-1.1 -0.847 22.5-173.1-104.8 137.3 6.3 30.6 12.9 65 64 A G E -cd 41 93A 0 -25,-3.0 -23,-2.1 -2,-0.4 29,-0.2 -0.877 16.1-133.1-124.8 157.3 5.0 27.1 12.2 66 65 A A E -cd 42 94A 2 27,-2.6 29,-2.7 -2,-0.3 3,-0.1 -0.630 11.4-137.7-102.5 167.9 2.2 25.5 10.1 67 66 A Q S S- 0 0 4 -25,-0.5 2,-0.3 1,-0.3 31,-0.3 0.485 80.8 -7.8-105.0 -6.6 -0.3 23.0 11.2 68 67 A N - 0 0 17 28,-0.1 2,-0.3 265,-0.1 -1,-0.3 -0.957 56.7-168.7-175.4 164.0 -0.1 20.8 8.0 69 68 A T - 0 0 0 -2,-0.3 13,-0.2 -3,-0.1 2,-0.2 -0.963 25.4-116.5-156.1 156.3 1.4 20.6 4.5 70 69 A Y - 0 0 14 11,-2.9 -2,-0.0 -2,-0.3 7,-0.0 -0.471 24.2-127.0 -85.3 171.4 1.0 18.4 1.4 71 70 A F S S+ 0 0 42 -2,-0.2 2,-0.3 11,-0.1 -1,-0.1 0.416 84.4 79.3-104.0 0.2 3.9 16.3 0.2 72 71 A E S S- 0 0 90 1,-0.1 12,-0.2 5,-0.0 -2,-0.2 -0.827 75.5-135.8-101.7 148.5 4.0 17.6 -3.4 73 72 A D S S- 0 0 48 -2,-0.3 11,-0.3 1,-0.3 2,-0.3 0.911 81.0 -24.7 -67.0 -45.1 5.5 20.9 -4.4 74 73 A N S S+ 0 0 94 194,-0.1 2,-0.3 10,-0.1 -1,-0.3 -0.968 83.6 93.6-157.3 168.3 2.6 21.8 -6.7 75 74 A G B S-J 267 0C 19 192,-2.2 2,-2.0 -2,-0.3 192,-1.5 -0.925 75.7 -17.3 143.5-164.0 -0.2 20.3 -8.7 76 75 A A S S+ 0 0 49 -2,-0.3 190,-0.1 190,-0.2 2,-0.0 -0.480 81.2 119.5 -80.7 72.6 -3.8 19.2 -8.9 77 76 A F > - 0 0 32 -2,-2.0 3,-2.1 3,-0.1 -1,-0.1 -0.518 51.5-156.1-136.4 64.0 -4.5 19.0 -5.2 78 77 A T T 3 S+ 0 0 0 1,-0.2 3,-0.1 188,-0.1 -2,-0.1 -0.111 76.5 17.2 -43.0 126.1 -7.3 21.5 -4.6 79 78 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.2 243,-0.1 2,-0.2 0.331 96.7 124.4 95.5 -6.5 -7.4 22.8 -1.0 80 79 A E < - 0 0 9 -3,-2.1 2,-0.5 241,-0.1 -1,-0.3 -0.548 57.4-127.8 -95.4 153.7 -3.9 21.8 -0.1 81 80 A T - 0 0 20 -2,-0.2 -11,-2.9 -3,-0.1 186,-0.1 -0.881 23.9-135.4-102.3 126.6 -1.0 23.9 1.3 82 81 A S > - 0 0 12 -2,-0.5 4,-1.9 -13,-0.2 3,-0.3 -0.625 7.0-143.8 -86.2 134.5 2.3 23.6 -0.5 83 82 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.762 103.9 60.1 -62.4 -26.8 5.7 23.3 1.4 84 83 A V H > S+ 0 0 49 -11,-0.3 4,-1.6 -12,-0.2 5,-0.1 0.904 107.9 43.5 -65.7 -43.1 7.2 25.5 -1.3 85 84 A A H > S+ 0 0 3 -3,-0.3 4,-0.5 -12,-0.2 186,-0.2 0.835 114.1 51.4 -71.9 -34.8 4.8 28.3 -0.4 86 85 A L H >X>S+ 0 0 0 -4,-1.9 5,-1.6 1,-0.2 3,-1.4 0.965 110.9 46.5 -63.0 -53.7 5.4 27.7 3.3 87 86 A A H ><5S+ 0 0 29 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.837 105.5 60.9 -59.2 -36.0 9.2 27.8 3.1 88 87 A D H 3<5S+ 0 0 97 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.667 101.8 52.2 -70.5 -17.5 9.1 30.9 1.0 89 88 A L H <<5S- 0 0 12 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.580 121.8-106.9 -88.2 -13.7 7.4 32.8 3.8 90 89 A G T <<5 + 0 0 43 -3,-1.1 -26,-0.4 -4,-0.6 -3,-0.2 0.688 58.4 166.5 90.0 22.5 10.1 31.8 6.2 91 90 A V < - 0 0 6 -5,-1.6 -1,-0.2 1,-0.1 -26,-0.2 -0.445 14.6-172.2 -62.8 141.3 7.9 29.2 8.1 92 91 A K + 0 0 68 -28,-3.0 33,-2.8 1,-0.2 2,-0.3 0.780 58.7 40.2-110.0 -39.8 10.3 27.1 10.2 93 92 A Y E -de 65 125A 3 -29,-1.1 -27,-2.6 31,-0.2 2,-0.4 -0.865 56.2-165.6-116.0 147.1 8.2 24.3 11.7 94 93 A V E -de 66 126A 0 31,-2.1 33,-2.6 -2,-0.3 2,-0.3 -0.947 15.8-142.3-133.9 116.7 5.4 22.2 10.2 95 94 A V E + e 0 127A 0 -29,-2.7 2,-0.3 -2,-0.4 33,-0.2 -0.577 27.7 177.3 -73.3 129.5 3.1 20.1 12.4 96 95 A I E + e 0 128A 1 31,-2.8 33,-2.8 -2,-0.3 -28,-0.1 -0.997 52.9 21.9-136.4 145.4 2.2 16.7 10.8 97 96 A G S S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 5,-0.1 0.652 70.2 174.9 80.2 18.1 0.2 13.7 12.0 98 97 A H >> - 0 0 9 -31,-0.3 4,-2.4 1,-0.1 3,-1.0 -0.268 41.6-119.1 -55.2 142.2 -1.8 15.5 14.6 99 98 A S H 3> S+ 0 0 8 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.810 113.7 59.1 -56.2 -33.6 -4.4 13.2 16.1 100 99 A E H 3> S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.843 110.1 42.4 -64.5 -35.1 -7.2 15.5 14.8 101 100 A R H <> S+ 0 0 11 -3,-1.0 6,-1.4 3,-0.2 4,-1.4 0.884 113.8 51.2 -77.6 -41.6 -6.0 15.0 11.3 102 101 A R H < S+ 0 0 40 -4,-2.4 4,-0.4 4,-0.2 -2,-0.2 0.912 121.7 33.8 -56.6 -44.0 -5.4 11.3 11.7 103 102 A E H < S+ 0 0 133 -4,-2.6 3,-0.2 -5,-0.2 -2,-0.2 0.949 128.9 29.4 -81.4 -53.4 -9.0 10.9 13.1 104 103 A L H < S+ 0 0 52 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.765 131.2 33.0 -83.6 -27.9 -11.1 13.4 11.2 105 104 A F S < S- 0 0 37 -4,-1.4 -1,-0.2 -5,-0.4 -3,-0.2 0.161 101.3-121.0-121.6 16.9 -9.2 13.6 7.9 106 105 A H - 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0 0 17 -3,-2.0 -1,-0.3 1,-0.1 -3,-0.0 -0.543 54.1-120.5 -77.6 142.1 15.4 10.0 7.1 158 157 A S > - 0 0 55 -2,-0.2 4,-2.1 -3,-0.1 5,-0.1 -0.198 25.9-106.7 -71.6 169.6 19.1 10.7 7.6 159 158 A E H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.891 122.4 53.5 -67.0 -38.2 20.8 10.8 11.0 160 159 A D H > S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.878 110.9 47.9 -61.2 -38.4 21.1 14.6 10.7 161 160 A Q H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.857 107.3 55.0 -69.4 -37.9 17.4 14.7 10.1 162 161 A L H < S+ 0 0 6 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.807 108.9 48.9 -67.3 -30.0 16.6 12.4 13.0 163 162 A K H < S+ 0 0 89 -4,-1.7 47,-0.4 1,-0.1 -1,-0.2 0.857 116.0 42.9 -71.0 -37.9 18.5 14.8 15.3 164 163 A S H < S+ 0 0 60 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.798 92.4 100.6 -81.6 -33.1 16.7 17.8 14.0 165 164 A V < - 0 0 0 -4,-2.5 45,-0.8 -5,-0.1 2,-0.4 -0.111 62.4-142.9 -55.8 147.2 13.2 16.4 13.9 166 165 A V E -fg 127 210A 0 -40,-2.0 -38,-3.2 43,-0.1 2,-0.4 -0.951 12.5-165.1-110.1 136.6 10.7 17.1 16.6 167 166 A I E -fg 128 211A 3 43,-2.0 45,-2.8 -2,-0.4 2,-0.5 -0.993 2.7-159.6-121.5 129.1 8.3 14.4 17.8 168 167 A A E -fg 129 212A 0 -40,-3.0 -38,-2.5 -2,-0.4 2,-0.6 -0.930 8.8-144.8-110.7 128.0 5.2 15.3 19.9 169 168 A Y E -fg 130 213A 0 43,-2.8 45,-3.1 -2,-0.5 -38,-0.2 -0.809 12.6-165.9 -93.2 119.1 3.4 12.6 22.0 170 169 A E - 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0 0 11 -40,-3.5 2,-1.8 -2,-0.6 3,-0.2 -0.909 14.5-150.7-103.9 115.4 -17.1 17.8 -13.1 425 170 B P >> + 0 0 5 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.614 22.7 174.7 -79.9 82.7 -17.0 15.0 -15.7 426 171 B I G >4 S+ 0 0 33 -2,-1.8 3,-0.8 -40,-0.6 -38,-0.2 0.807 72.3 70.3 -64.4 -28.9 -14.5 12.9 -13.7 427 172 B W G 34 S+ 0 0 21 -41,-1.2 -1,-0.3 -40,-0.3 -40,-0.1 0.614 97.5 54.0 -58.0 -14.5 -14.9 10.2 -16.4 428 173 B A G <4 0 0 34 -3,-2.3 -1,-0.2 5,-0.0 -2,-0.2 0.717 360.0 360.0 -94.8 -26.6 -13.0 12.6 -18.7 429 174 B I << 0 0 153 -3,-0.8 -41,-0.1 -4,-0.6 3,-0.1 -0.604 360.0 360.0 -76.2 360.0 -9.9 13.2 -16.5 430 ! 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 0.0 431 178 B K 0 0 163 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.8 -12.3 10.3 -23.1 432 179 B S - 0 0 106 -3,-0.1 2,-0.5 0, 0.0 -3,-0.0 -0.922 360.0-138.8-122.5 145.7 -13.6 13.8 -23.8 433 180 B S - 0 0 9 -2,-0.3 2,-0.1 35,-0.1 35,-0.0 -0.912 22.4-153.5-100.1 126.6 -16.7 15.7 -22.7 434 181 B T > - 0 0 63 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.316 29.2-106.5 -86.7 176.4 -18.4 17.7 -25.4 435 182 B S H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.769 120.6 52.8 -76.4 -26.1 -20.6 20.9 -24.9 436 183 B E H > S+ 0 0 136 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.910 112.9 43.4 -70.8 -43.8 -23.8 18.9 -25.7 437 184 B D H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.855 115.1 50.1 -69.9 -37.1 -22.9 16.3 -23.1 438 185 B A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 111.1 48.9 -61.8 -47.0 -21.8 19.0 -20.6 439 186 B N H X S+ 0 0 27 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.829 107.3 56.8 -63.3 -33.5 -25.1 20.8 -21.3 440 187 B E H X S+ 0 0 104 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.927 110.3 42.2 -62.2 -48.4 -27.0 17.6 -20.7 441 188 B M H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.865 113.7 51.5 -70.6 -39.0 -25.6 17.1 -17.2 442 189 B C H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.891 109.2 51.1 -63.4 -41.6 -26.0 20.7 -16.3 443 190 B A H X S+ 0 0 32 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.855 109.5 51.6 -61.4 -36.6 -29.6 20.6 -17.4 444 191 B F H X S+ 0 0 54 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.886 107.7 50.9 -67.6 -41.7 -30.0 17.5 -15.2 445 192 B V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.938 110.6 50.0 -59.3 -46.7 -28.6 19.3 -12.2 446 193 B R H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.908 110.6 49.9 -57.8 -44.4 -31.0 22.2 -12.8 447 194 B Q H X S+ 0 0 105 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.876 107.6 53.4 -62.1 -40.6 -33.9 19.6 -13.0 448 195 B T H X S+ 0 0 8 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.912 110.5 47.3 -60.6 -43.5 -32.8 18.0 -9.7 449 196 B I H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 5,-0.2 0.887 109.6 53.9 -63.8 -42.1 -32.8 21.5 -8.0 450 197 B A H >< S+ 0 0 15 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.890 106.5 52.3 -60.2 -40.9 -36.3 22.2 -9.5 451 198 B D H 3< S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.816 111.4 45.4 -68.0 -33.1 -37.7 18.9 -8.1 452 199 B L H 3< S- 0 0 69 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.450 138.6 -2.5 -90.8 -0.7 -36.5 19.7 -4.5 453 200 B S S << S- 0 0 32 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.031 107.2 -58.4-144.4-100.6 -37.7 23.3 -4.7 454 201 B S > - 0 0 41 -5,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.960 36.7-107.2-152.4 167.2 -39.4 24.9 -7.7 455 202 B K H > S+ 0 0 144 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.920 118.4 56.4 -62.2 -44.7 -38.7 25.8 -11.4 456 203 B E H 4 S+ 0 0 139 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.860 107.4 49.1 -54.6 -42.0 -38.3 29.5 -10.6 457 204 B V H >> S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 4,-1.5 0.932 109.2 51.4 -63.7 -47.6 -35.6 28.6 -8.0 458 205 B S H 3< S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.729 101.5 62.4 -64.3 -23.9 -33.7 26.4 -10.5 459 206 B E T 3< S+ 0 0 79 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.534 107.3 44.0 -81.0 -6.3 -33.8 29.2 -13.1 460 207 B A T <4 S+ 0 0 33 -3,-1.6 -2,-0.2 -4,-0.2 2,-0.2 0.730 88.0 101.7-101.7 -33.7 -31.7 31.4 -10.8 461 208 B T S < S- 0 0 0 -4,-1.5 2,-0.4 1,-0.1 -41,-0.1 -0.337 71.5-134.1 -56.4 117.6 -29.1 28.8 -9.7 462 209 B R E -q 420 0D 29 -43,-0.8 -41,-2.0 -45,-0.4 2,-0.5 -0.630 20.1-163.4 -74.4 126.6 -25.9 29.3 -11.6 463 210 B I E -q 421 0D 0 -2,-0.4 21,-3.2 -43,-0.2 22,-0.5 -0.965 4.9-160.8-118.0 121.4 -24.5 26.0 -12.9 464 211 B Q E -q 422 0D 0 -43,-2.9 -41,-2.8 -2,-0.5 2,-0.6 -0.680 19.1-126.1 -99.7 150.0 -20.9 25.8 -14.0 465 212 B Y E -qr 423 486D 5 20,-2.9 22,-1.7 -2,-0.3 -41,-0.2 -0.859 23.1-175.1 -90.8 124.9 -19.1 23.3 -16.2 466 213 B G + 0 0 16 -43,-3.4 -42,-0.1 -2,-0.6 -1,-0.1 0.097 47.8 101.3-112.3 19.8 -16.1 22.0 -14.3 467 214 B G S S- 0 0 13 -44,-0.2 2,-0.4 1,-0.2 22,-0.3 -0.099 91.4 -48.3 -84.2-166.9 -14.5 19.9 -17.0 468 215 B S + 0 0 83 -43,-0.1 2,-0.4 20,-0.1 -1,-0.2 -0.532 64.4 177.1 -74.1 120.9 -11.5 20.8 -19.1 469 216 B V + 0 0 3 -2,-0.4 22,-0.4 -3,-0.1 20,-0.1 -0.990 5.2 176.8-129.4 135.1 -11.9 24.4 -20.5 470 217 B K >> - 0 0 85 -2,-0.4 3,-1.4 20,-0.1 4,-1.0 -0.812 46.3 -99.3-127.3 166.6 -9.4 26.4 -22.6 471 218 B P T 34 S+ 0 0 33 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.838 119.8 57.6 -52.3 -35.0 -9.5 29.8 -24.4 472 219 B N T 34 S+ 0 0 149 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.553 117.8 29.1 -78.3 -7.3 -10.3 28.2 -27.7 473 220 B N T <> S+ 0 0 28 -3,-1.4 4,-1.6 2,-0.1 -1,-0.2 0.368 88.0 97.4-133.1 3.3 -13.5 26.4 -26.5 474 221 B I H X S+ 0 0 4 -4,-1.0 4,-2.8 -3,-0.3 5,-0.2 0.920 85.2 52.5 -60.7 -46.1 -14.9 28.7 -23.7 475 222 B K H > S+ 0 0 142 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.858 106.7 54.7 -59.2 -38.8 -17.3 30.4 -26.0 476 223 B E H > S+ 0 0 102 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.903 112.6 41.3 -62.3 -45.6 -18.7 27.1 -27.2 477 224 B Y H >< S+ 0 0 16 -4,-1.6 3,-1.1 1,-0.2 6,-0.2 0.911 112.8 53.4 -71.0 -42.5 -19.4 25.9 -23.6 478 225 B M H 3< S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.736 99.5 65.1 -63.0 -25.4 -20.8 29.3 -22.5 479 226 B A H 3< S+ 0 0 77 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.784 78.2 104.6 -68.6 -28.8 -23.2 29.2 -25.5 480 227 B Q S X< S- 0 0 50 -3,-1.1 3,-1.1 -4,-0.5 -44,-0.0 -0.258 79.0-124.5 -60.6 141.9 -25.1 26.2 -24.1 481 228 B T T 3 S+ 0 0 102 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.818 105.4 35.3 -59.2 -38.2 -28.5 27.0 -22.5 482 229 B D T 3 S+ 0 0 27 -20,-0.0 2,-0.7 -43,-0.0 -1,-0.3 0.295 94.1 93.6-105.5 9.0 -27.8 25.5 -19.1 483 230 B I < + 0 0 4 -3,-1.1 -19,-0.2 -6,-0.2 3,-0.1 -0.907 42.3 172.8-104.8 111.9 -24.1 26.3 -18.7 484 231 B D - 0 0 13 -21,-3.2 -224,-2.1 -2,-0.7 2,-0.3 0.224 61.1 -36.3-105.2 11.5 -23.7 29.6 -16.8 485 232 B G E -l 260 0D 0 -22,-0.5 -20,-2.9 -226,-0.2 2,-0.4 -0.969 60.7 -93.7 159.1-171.1 -19.9 29.5 -16.3 486 233 B A E -lr 261 465D 3 -226,-1.1 -224,-2.9 -2,-0.3 2,-0.8 -0.999 6.5-145.9-144.3 138.6 -16.8 27.4 -15.7 487 234 B L E -l 262 0D 8 -22,-1.7 2,-0.4 -2,-0.4 -224,-0.2 -0.914 41.4-158.9 -98.1 101.7 -14.6 26.3 -12.8 488 235 B V E -l 263 0D 0 -226,-2.4 -224,-2.9 -2,-0.8 -20,-0.1 -0.724 18.3-173.3-100.7 130.4 -11.4 26.4 -14.8 489 236 B G S > S+ 0 0 21 -2,-0.4 3,-2.4 -22,-0.3 4,-0.3 0.705 72.4 3.0 -81.0-114.5 -8.1 24.5 -13.9 490 237 B G G > S+ 0 0 44 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.664 121.0 66.2 -54.0 -27.2 -4.9 25.0 -15.8 491 238 B A G 3 S+ 0 0 0 -22,-0.4 -1,-0.3 1,-0.2 10,-0.2 0.450 96.1 58.9 -78.4 1.8 -6.1 27.8 -18.1 492 239 B S G < S+ 0 0 0 -3,-2.4 -1,-0.2 -228,-0.2 -2,-0.2 0.492 85.4 80.7-100.1 -4.9 -6.6 30.1 -15.0 493 240 B L S < S+ 0 0 44 -3,-1.2 2,-0.4 -4,-0.3 -2,-0.1 0.891 87.6 54.9 -69.6 -41.3 -2.9 29.9 -14.1 494 241 B K S >> S- 0 0 122 -4,-0.4 4,-2.8 1,-0.1 3,-1.0 -0.777 77.0-135.4 -98.1 138.3 -1.6 32.5 -16.6 495 242 B V H 3> S+ 0 0 36 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.902 106.6 58.6 -50.5 -45.0 -2.9 36.0 -16.8 496 243 B E H 3> S+ 0 0 120 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.749 113.3 37.4 -60.2 -28.3 -3.0 35.7 -20.7 497 244 B D H <> S+ 0 0 37 -3,-1.0 4,-2.0 2,-0.2 3,-0.4 0.885 114.2 52.1 -89.8 -47.3 -5.3 32.7 -20.5 498 245 B F H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.910 107.4 55.1 -54.9 -45.0 -7.5 33.8 -17.6 499 246 B V H X S+ 0 0 21 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.860 107.7 49.3 -55.7 -40.9 -8.2 37.1 -19.3 500 247 B Q H X S+ 0 0 91 -4,-0.5 4,-1.9 -3,-0.4 -1,-0.2 0.862 104.5 58.0 -68.6 -38.2 -9.4 35.2 -22.4 501 248 B L H < S+ 0 0 0 -4,-2.0 4,-0.4 -10,-0.2 -1,-0.2 0.898 108.8 47.4 -56.7 -40.5 -11.7 33.0 -20.4 502 249 B L H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 4,-0.2 0.927 112.2 46.6 -68.0 -48.1 -13.4 36.2 -19.2 503 250 B E H >< S+ 0 0 110 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.745 109.0 57.9 -66.6 -24.4 -13.8 37.9 -22.6 504 251 B G T 3< S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.560 99.6 58.8 -80.4 -9.4 -15.1 34.6 -24.0 505 252 B A T < 0 0 4 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.394 360.0 360.0-104.6 1.4 -18.0 34.5 -21.5 506 253 B K < 0 0 136 -3,-0.6 -2,-0.1 -4,-0.2 -3,-0.1 0.902 360.0 360.0 -71.6 360.0 -19.7 37.8 -22.4