==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-APR-13 4K6A . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.MINASOV,M.KUHN,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 13.5 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 . 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 4 5 2 1 0 0 0 0 1 2 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 8 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 1 A M 0 0 237 0, 0.0 2,-0.4 0, 0.0 252,-0.0 0.000 360.0 360.0 360.0 11.1 -15.3 -39.3 19.1 2 2 A R - 0 0 62 201,-0.1 202,-0.1 203,-0.1 203,-0.0 -0.623 360.0-133.8 -73.1 128.5 -12.3 -36.8 19.5 3 3 A H - 0 0 101 -2,-0.4 33,-0.1 1,-0.1 247,-0.1 -0.720 28.6-120.6 -84.0 120.8 -11.2 -35.6 16.1 4 4 A P - 0 0 2 0, 0.0 33,-2.9 0, 0.0 2,-0.4 -0.178 20.5-153.4 -66.4 158.0 -7.4 -35.8 16.0 5 5 A L E -ab 37 229A 6 223,-2.0 225,-0.9 31,-0.2 2,-0.5 -0.997 6.7-169.4-132.7 123.6 -5.0 -32.9 15.4 6 6 A V E -ab 38 230A 0 31,-2.5 33,-1.6 -2,-0.4 2,-0.4 -0.977 14.5-173.7-114.3 119.0 -1.6 -33.2 13.9 7 7 A M E -ab 39 231A 0 223,-2.5 225,-3.3 -2,-0.5 2,-0.7 -0.926 17.7-140.8-118.7 134.6 0.4 -30.0 14.2 8 8 A G E -ab 40 232A 0 31,-2.7 33,-2.6 -2,-0.4 2,-0.9 -0.849 7.2-163.4 -97.6 115.1 3.8 -29.2 12.7 9 9 A N E -a 41 0A 2 223,-3.1 227,-0.2 -2,-0.7 228,-0.1 -0.852 5.2-173.7 -93.4 100.8 6.2 -27.2 14.9 10 10 A W - 0 0 2 31,-1.5 -1,-0.1 -2,-0.9 223,-0.1 0.676 18.1-168.0 -69.5 -14.0 8.7 -26.0 12.3 11 11 A K - 0 0 41 30,-0.4 2,-1.9 1,-0.2 -1,-0.2 -0.247 62.8 -14.6 52.0-145.1 10.8 -24.6 15.1 12 12 A L B S+I 328 0B 0 316,-2.1 316,-2.1 30,-0.1 2,-0.3 -0.481 108.9 110.6 -89.2 72.1 13.6 -22.3 13.9 13 13 A N + 0 0 43 -2,-1.9 2,-0.2 314,-0.2 314,-0.1 -0.967 38.4 95.5-148.2 123.7 13.4 -23.4 10.2 14 14 A G + 0 0 18 -2,-0.3 2,-0.3 28,-0.1 3,-0.1 -0.847 24.5 175.8 164.9 157.2 12.2 -21.4 7.3 15 15 A S > - 0 0 32 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.915 50.0-100.0-166.1 162.2 12.7 -19.1 4.3 16 16 A R H > S+ 0 0 110 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.900 125.8 48.5 -59.4 -39.5 10.4 -17.7 1.6 17 17 A H H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 113.5 47.0 -63.8 -43.9 11.6 -20.4 -0.8 18 18 A M H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.879 109.3 53.1 -67.4 -40.1 11.0 -23.1 1.9 19 19 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.933 112.3 45.1 -61.5 -45.7 7.5 -21.9 2.9 20 20 A H H X S+ 0 0 98 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.926 117.7 43.4 -64.0 -45.2 6.4 -21.9 -0.7 21 21 A E H X S+ 0 0 94 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.948 119.1 41.8 -66.2 -51.7 7.8 -25.4 -1.4 22 22 A L H X S+ 0 0 8 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.910 116.6 45.8 -66.3 -47.2 6.8 -27.0 1.8 23 23 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.4 -1,-0.2 0.919 114.0 50.3 -66.0 -39.0 3.2 -25.5 2.0 24 24 A S H X S+ 0 0 41 -4,-1.9 4,-1.9 -5,-0.4 -2,-0.2 0.943 113.4 45.5 -61.0 -45.8 2.6 -26.4 -1.7 25 25 A N H X S+ 0 0 75 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.895 111.9 52.5 -64.1 -40.1 3.8 -30.0 -1.1 26 26 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.922 106.4 53.7 -61.0 -44.6 1.7 -30.2 2.1 27 27 A R H X S+ 0 0 78 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.942 113.0 43.7 -55.0 -46.4 -1.4 -29.0 0.1 28 28 A K H >< S+ 0 0 159 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.944 115.9 44.8 -65.7 -50.9 -0.9 -31.8 -2.4 29 29 A E H 3< S+ 0 0 72 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.765 121.1 40.6 -66.9 -25.7 -0.1 -34.6 0.1 30 30 A L H >< S+ 0 0 17 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.2 0.372 82.0 102.3-104.5 3.6 -3.0 -33.6 2.4 31 31 A A T << S+ 0 0 85 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 0.739 86.0 45.4 -60.3 -27.0 -5.7 -32.8 -0.3 32 32 A G T 3 S+ 0 0 75 -4,-0.3 2,-0.5 -3,-0.3 -1,-0.3 0.195 85.8 116.0-102.5 14.7 -7.4 -36.1 0.3 33 33 A V < + 0 0 18 -3,-1.8 25,-0.1 1,-0.2 -3,-0.0 -0.730 22.4 153.2 -88.8 129.2 -7.4 -36.1 4.1 34 34 A A + 0 0 82 -2,-0.5 -1,-0.2 3,-0.1 -4,-0.0 0.705 63.2 57.4-117.5 -39.4 -10.8 -35.9 5.9 35 35 A G S S+ 0 0 17 212,-0.1 2,-0.3 2,-0.0 218,-0.1 0.136 98.5 56.5 -91.3 21.2 -10.4 -37.5 9.4 36 36 A C S S- 0 0 9 -33,-0.1 -31,-0.2 -30,-0.0 2,-0.2 -0.963 71.2-133.9-152.3 131.4 -7.6 -35.4 10.9 37 37 A A E -a 5 0A 22 -33,-2.9 -31,-2.5 -2,-0.3 2,-0.4 -0.559 25.4-154.0 -80.4 147.9 -7.2 -31.7 11.5 38 38 A V E +ac 6 59A 10 20,-0.5 22,-2.9 -2,-0.2 2,-0.3 -0.992 17.5 171.1-131.4 134.1 -3.9 -30.1 10.5 39 39 A A E -ac 7 60A 0 -33,-1.6 -31,-2.7 -2,-0.4 2,-0.3 -0.966 12.3-159.3-135.3 152.2 -2.0 -27.0 11.7 40 40 A I E -ac 8 61A 0 20,-2.0 22,-1.0 -2,-0.3 -31,-0.2 -0.979 4.9-159.7-131.9 143.7 1.5 -25.6 11.0 41 41 A A E +a 9 0A 0 -33,-2.6 -31,-1.5 -2,-0.3 -30,-0.4 -0.852 18.1 178.5-125.7 89.3 3.5 -23.2 13.1 42 42 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.336 49.0 -67.6 -77.3 170.6 6.3 -21.5 11.0 43 43 A P > - 0 0 2 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.301 59.1-103.4 -55.9 150.5 8.7 -18.9 12.5 44 44 A E G > S+ 0 0 31 1,-0.3 3,-1.4 289,-0.3 4,-0.4 0.806 117.8 57.6 -51.9 -42.1 6.7 -15.7 13.2 45 45 A M G 3 S+ 0 0 1 1,-0.2 259,-0.3 2,-0.1 4,-0.3 0.637 108.9 48.4 -66.6 -14.6 7.9 -13.7 10.2 46 46 A Y G <> S+ 0 0 0 -3,-2.2 4,-2.6 2,-0.1 5,-0.3 0.378 80.9 94.2-104.0 0.0 6.5 -16.4 7.8 47 47 A I H <> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.4 5,-0.2 0.939 87.8 48.5 -57.5 -46.8 3.0 -16.8 9.4 48 48 A D H > S+ 0 0 2 -4,-0.4 4,-2.2 253,-0.3 -1,-0.2 0.945 113.9 45.0 -59.0 -51.4 1.5 -14.3 6.9 49 49 A M H > S+ 0 0 15 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.914 114.3 48.9 -61.2 -43.2 3.1 -15.9 3.8 50 50 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.886 109.6 52.8 -63.7 -39.3 2.2 -19.5 5.0 51 51 A K H X S+ 0 0 62 -4,-2.7 4,-0.7 -5,-0.3 -1,-0.2 0.919 110.8 47.1 -61.0 -43.9 -1.4 -18.4 5.6 52 52 A R H >< S+ 0 0 116 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.904 112.6 49.3 -63.7 -42.1 -1.6 -17.0 2.1 53 53 A E H 3< S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.842 108.8 53.7 -66.4 -33.0 -0.0 -20.2 0.7 54 54 A A H >< S+ 0 0 4 -4,-2.3 3,-2.4 -5,-0.2 5,-0.4 0.577 77.6 122.2 -78.9 -11.0 -2.5 -22.3 2.6 55 55 A E T << S+ 0 0 127 -3,-0.8 3,-0.1 -4,-0.7 -3,-0.0 -0.357 75.2 28.1 -58.5 126.1 -5.6 -20.5 1.2 56 56 A G T 3 S+ 0 0 71 1,-0.5 -1,-0.3 -2,-0.1 2,-0.2 0.202 110.7 82.5 104.9 -11.1 -7.9 -23.1 -0.5 57 57 A S S < S- 0 0 35 -3,-2.4 -1,-0.5 2,-0.2 -30,-0.1 -0.594 86.2-115.5-113.0-179.9 -6.7 -26.0 1.7 58 58 A H S S+ 0 0 168 -2,-0.2 -20,-0.5 -31,-0.1 2,-0.5 0.263 72.1 125.7 -97.5 11.2 -7.7 -27.2 5.2 59 59 A I E -c 38 0A 12 -5,-0.4 2,-0.2 -22,-0.1 -20,-0.2 -0.586 49.2-152.7 -75.1 119.2 -4.2 -26.4 6.6 60 60 A M E -c 39 0A 57 -22,-2.9 -20,-2.0 -2,-0.5 2,-0.2 -0.603 9.0-124.0 -92.1 153.5 -4.6 -24.1 9.6 61 61 A L E +c 40 0A 0 26,-0.5 28,-2.1 -22,-0.2 29,-1.9 -0.536 31.8 161.8 -97.4 163.3 -2.0 -21.7 10.9 62 62 A G E -d 90 0A 0 -22,-1.0 2,-0.3 26,-0.3 29,-0.2 -0.903 24.5-124.8-160.6-177.8 -0.4 -21.3 14.2 63 63 A A E -d 91 0A 2 27,-1.9 29,-2.8 -2,-0.3 3,-0.1 -0.936 16.6-127.0-142.3 165.3 2.6 -19.8 16.0 64 64 A Q S S- 0 0 9 -22,-0.4 2,-0.3 -2,-0.3 31,-0.3 0.506 83.5 -10.4 -95.2 -5.9 5.4 -21.0 18.3 65 65 A N - 0 0 12 28,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.960 54.1-154.6-177.0 167.6 5.0 -18.6 21.2 66 66 A V - 0 0 0 -2,-0.3 13,-0.2 25,-0.1 2,-0.1 -0.966 13.0-136.5-153.6 154.0 3.2 -15.4 22.4 67 67 A D - 0 0 28 11,-2.3 13,-0.3 -2,-0.3 -2,-0.0 -0.411 29.9-104.5-102.8-175.0 3.9 -12.6 25.0 68 68 A L S S+ 0 0 58 -2,-0.1 2,-0.3 11,-0.1 11,-0.1 0.682 87.2 77.8 -90.5 -18.3 1.5 -11.1 27.5 69 69 A N - 0 0 51 9,-0.2 11,-0.4 1,-0.1 -2,-0.2 -0.655 55.8-156.7 -96.9 148.3 0.7 -7.6 26.1 70 70 A L S S- 0 0 70 1,-0.4 2,-0.3 -2,-0.3 12,-0.2 0.805 77.2 -20.4 -87.0 -35.5 -1.7 -6.8 23.3 71 71 A S S S+ 0 0 69 198,-0.1 -1,-0.4 10,-0.1 2,-0.3 -0.962 86.5 81.3-161.9 167.9 -0.1 -3.5 22.4 72 72 A G B S-J 268 0C 23 196,-1.9 196,-2.0 -2,-0.3 2,-1.9 -0.826 84.7 -22.8 128.3-164.7 2.2 -0.8 23.8 73 73 A A S S+ 0 0 43 -2,-0.3 2,-0.2 194,-0.2 194,-0.1 -0.505 82.2 125.1 -88.8 71.9 5.8 0.1 24.4 74 74 A F > - 0 0 45 -2,-1.9 3,-2.1 3,-0.1 -1,-0.1 -0.649 50.4-151.9-133.5 70.3 7.1 -3.5 24.4 75 75 A T T 3 S+ 0 0 1 1,-0.3 -2,-0.1 -2,-0.2 190,-0.0 -0.151 76.3 7.2 -49.8 127.1 9.9 -3.6 21.8 76 76 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.3 245,-0.1 245,-0.1 0.372 96.6 131.8 82.2 0.6 10.4 -7.0 20.3 77 77 A E < - 0 0 14 -3,-2.1 2,-0.5 243,-0.1 223,-0.3 -0.292 54.1-124.4 -84.1 167.0 7.4 -8.7 21.8 78 78 A T - 0 0 11 221,-0.1 -11,-2.3 222,-0.1 2,-0.4 -0.954 21.6-149.2-114.4 125.1 4.6 -10.9 20.2 79 79 A S > - 0 0 0 -2,-0.5 4,-2.3 -13,-0.2 3,-0.3 -0.805 14.2-146.9 -98.1 132.3 1.0 -9.9 20.7 80 80 A A H > S+ 0 0 0 -2,-0.4 4,-2.3 -11,-0.4 5,-0.2 0.844 103.6 58.2 -61.0 -33.5 -1.9 -12.3 20.8 81 81 A A H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 108.7 44.4 -63.7 -38.7 -4.1 -9.7 19.0 82 82 A M H > S+ 0 0 6 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.853 108.6 56.1 -75.1 -37.0 -1.6 -9.6 16.1 83 83 A L H X>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.6 0.937 111.5 44.9 -59.8 -44.1 -1.3 -13.3 15.9 84 84 A K H ><5S+ 0 0 100 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.937 112.1 52.6 -62.0 -46.1 -5.1 -13.4 15.5 85 85 A D H 3<5S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.843 108.0 49.8 -58.3 -38.1 -5.0 -10.6 13.0 86 86 A I H 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.520 124.7 -98.7 -83.9 -6.7 -2.4 -12.3 10.8 87 87 A G T <<5S+ 0 0 17 -3,-1.2 -26,-0.5 -4,-0.6 2,-0.2 0.479 72.3 142.6 107.3 4.3 -4.4 -15.6 10.7 88 88 A A < + 0 0 2 -5,-2.2 -1,-0.3 -6,-0.2 -26,-0.3 -0.556 13.2 164.8 -78.0 141.6 -2.8 -17.8 13.4 89 89 A Q + 0 0 66 -28,-2.1 33,-2.8 1,-0.2 2,-0.8 0.674 59.0 60.2-120.2 -46.6 -5.1 -20.0 15.4 90 90 A Y E -de 62 122A 34 -29,-1.9 -27,-1.9 -50,-0.2 2,-0.7 -0.828 66.5-169.8 -96.5 109.4 -3.0 -22.7 17.2 91 91 A I E -de 63 123A 0 31,-2.4 33,-2.6 -2,-0.8 2,-0.3 -0.875 14.0-143.2-109.7 112.4 -0.5 -21.1 19.5 92 92 A I E + e 0 124A 0 -29,-2.8 2,-0.3 -2,-0.7 33,-0.2 -0.518 26.7 175.2 -68.8 127.5 2.2 -23.2 21.1 93 93 A I E + e 0 125A 0 31,-2.4 33,-2.8 -2,-0.3 -28,-0.1 -0.996 56.2 19.7-135.8 143.5 3.0 -22.1 24.6 94 94 A G S S+ 0 0 1 -2,-0.3 5,-0.1 1,-0.2 -1,-0.1 0.646 72.0 175.0 76.9 17.8 5.3 -23.6 27.2 95 95 A H >> - 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0 0 12 -40,-3.2 2,-2.2 -2,-0.6 3,-0.2 -0.917 14.4-152.4-106.1 109.3 18.4 6.4 24.7 424 168 B P >> + 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.517 20.9 177.0 -79.0 80.5 18.4 8.8 27.7 425 169 B V G >4 S+ 0 0 42 -2,-2.2 3,-1.2 1,-0.3 -39,-0.2 0.855 73.7 64.1 -52.9 -39.1 16.2 6.5 29.8 426 170 B W G 34 S+ 0 0 20 -41,-1.4 -1,-0.3 1,-0.3 6,-0.2 0.703 111.6 36.5 -56.8 -23.0 16.5 8.9 32.7 427 171 B A G X4 S+ 0 0 9 -3,-2.3 2,-1.0 4,-0.1 3,-0.5 0.385 87.7 107.5-110.9 -1.4 14.7 11.6 30.7 428 172 B I T << S- 0 0 72 -3,-1.2 5,-0.1 -4,-0.6 -1,-0.0 -0.717 108.0 -27.1 -92.9 101.5 12.1 9.4 28.7 429 173 B G T 3 S+ 0 0 87 -2,-1.0 -1,-0.3 3,-0.2 4,-0.1 0.869 111.7 112.2 66.5 41.3 8.7 10.0 30.1 430 174 B T S < S- 0 0 45 -3,-0.5 -2,-0.1 2,-0.5 3,-0.1 0.427 91.2-103.1-122.2 -4.8 10.1 10.9 33.5 431 175 B G S S+ 0 0 85 1,-0.4 2,-0.3 -4,-0.3 -4,-0.1 0.365 96.6 92.2 93.5 -6.5 9.5 14.7 34.0 432 176 B K - 0 0 94 -6,-0.2 -2,-0.5 -5,-0.0 -1,-0.4 -0.887 61.3-153.8-117.2 151.2 13.1 15.5 33.2 433 177 B S - 0 0 98 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 -0.943 12.1-133.6-133.3 150.5 14.4 16.4 29.7 434 178 B A - 0 0 19 -2,-0.3 33,-0.0 -7,-0.2 34,-0.0 -0.842 24.5-139.6 -99.1 131.8 17.7 16.3 27.8 435 179 B T > - 0 0 64 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.426 25.6-110.0 -84.3 164.9 18.7 19.4 25.9 436 180 B P H > S+ 0 0 23 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.876 122.5 54.5 -59.8 -37.3 20.3 19.2 22.4 437 181 B A H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.921 109.0 48.0 -61.2 -43.7 23.6 20.3 24.0 438 182 B Q H > S+ 0 0 93 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.892 112.6 47.3 -65.3 -40.8 23.3 17.4 26.5 439 183 B A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 3,-0.2 0.929 110.4 53.3 -64.7 -45.7 22.6 14.9 23.7 440 184 B Q H X S+ 0 0 28 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.895 105.2 54.6 -55.6 -42.3 25.5 16.3 21.6 441 185 B A H X S+ 0 0 59 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.872 111.0 45.1 -61.4 -38.1 27.9 15.8 24.6 442 186 B V H X S+ 0 0 16 -4,-1.4 4,-2.6 -3,-0.2 -2,-0.2 0.932 113.4 48.9 -70.7 -46.3 26.9 12.1 24.9 443 187 B H H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.921 111.2 49.9 -59.5 -45.2 27.1 11.5 21.1 444 188 B K H X S+ 0 0 83 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.914 111.1 50.5 -59.8 -42.8 30.6 13.2 20.9 445 189 B F H X S+ 0 0 36 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.908 109.9 49.7 -60.4 -45.9 31.7 11.0 23.8 446 190 B I H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.931 113.5 45.3 -58.5 -47.2 30.5 7.9 22.1 447 191 B R H X S+ 0 0 15 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.907 113.1 50.6 -67.7 -39.3 32.2 8.7 18.8 448 192 B D H X S+ 0 0 69 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.842 106.5 55.8 -64.8 -36.3 35.4 9.7 20.7 449 193 B H H < S+ 0 0 25 -4,-2.2 3,-0.5 2,-0.2 4,-0.3 0.914 111.5 41.9 -62.8 -45.8 35.4 6.4 22.6 450 194 B I H >X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 3,-2.1 0.898 107.8 62.4 -67.5 -39.8 35.3 4.4 19.3 451 195 B A H 3< S+ 0 0 37 -4,-2.4 4,-0.4 1,-0.3 -1,-0.2 0.718 90.2 68.2 -58.8 -24.4 37.9 6.7 17.8 452 196 B K T 3< S+ 0 0 166 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.766 112.6 31.3 -66.3 -26.2 40.4 5.6 20.5 453 197 B V T <4 S- 0 0 91 -3,-2.1 2,-0.3 -4,-0.3 -2,-0.2 0.822 144.4 -1.4 -96.5 -44.2 40.4 2.2 18.8 454 198 B D X - 0 0 63 -4,-2.7 4,-2.2 1,-0.1 -1,-0.2 -0.800 53.9-168.5-155.1 106.3 39.8 3.3 15.2 455 199 B A H > S+ 0 0 65 -4,-0.4 4,-1.8 -2,-0.3 -4,-0.1 0.828 91.4 53.8 -62.9 -36.4 39.3 6.9 14.1 456 200 B N H > S+ 0 0 97 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.914 109.8 46.8 -65.9 -43.6 38.1 6.0 10.6 457 201 B I H >> S+ 0 0 8 1,-0.2 3,-1.1 2,-0.2 4,-0.9 0.931 109.7 55.7 -63.2 -45.6 35.4 3.7 11.9 458 202 B A H >< S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.900 102.9 54.4 -54.2 -44.8 34.3 6.4 14.4 459 203 B E H 3< S+ 0 0 118 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.696 111.9 44.2 -68.0 -19.2 33.7 9.0 11.7 460 204 B Q H << S+ 0 0 57 -3,-1.1 2,-0.2 -4,-0.8 -1,-0.2 0.476 84.4 110.9-102.6 -4.2 31.3 6.7 9.7 461 205 B V << - 0 0 0 -3,-0.9 2,-0.7 -4,-0.9 -42,-0.2 -0.523 66.8-133.4 -72.4 133.8 29.2 5.3 12.6 462 206 B I E -q 419 0D 27 -44,-1.8 -42,-2.7 -2,-0.2 2,-0.7 -0.807 21.9-167.8 -88.3 114.3 25.6 6.6 12.5 463 207 B I E -q 420 0D 0 -2,-0.7 21,-2.8 -44,-0.2 22,-0.4 -0.901 7.1-166.3-110.0 106.7 24.8 7.7 16.0 464 208 B Q E -q 421 0D 0 -44,-3.3 -42,-2.7 -2,-0.7 2,-0.5 -0.641 21.3-122.0 -90.7 147.7 21.0 8.4 16.4 465 209 B Y E -qr 422 486D 7 20,-2.6 22,-1.9 -2,-0.3 -42,-0.2 -0.766 24.1-175.1 -87.5 130.7 19.3 10.2 19.2 466 210 B G + 0 0 14 -44,-3.2 -43,-0.2 -2,-0.5 -1,-0.1 0.251 50.0 96.0-111.9 9.5 16.7 7.9 20.9 467 211 B G S S- 0 0 8 -45,-0.3 2,-0.3 1,-0.2 22,-0.2 -0.125 94.3 -47.8 -83.9-170.2 15.2 10.3 23.4 468 212 B S - 0 0 75 -44,-0.2 2,-0.4 -41,-0.1 -1,-0.2 -0.450 61.3-177.9 -67.2 121.9 12.0 12.3 22.8 469 213 B V + 0 0 13 -2,-0.3 2,-0.2 -3,-0.1 22,-0.2 -0.991 9.2 158.5-124.3 131.3 12.0 14.0 19.5 470 214 B N >> - 0 0 74 -2,-0.4 4,-1.8 30,-0.1 3,-0.6 -0.772 57.6 -88.9-136.3-179.5 9.2 16.2 18.2 471 215 B A T 34 S+ 0 0 69 -2,-0.2 4,-0.5 1,-0.2 -2,-0.0 0.777 122.5 59.4 -65.4 -25.7 8.8 19.0 15.6 472 216 B S T 34 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.779 119.1 23.3 -77.4 -26.5 9.8 21.5 18.3 473 217 B N T <> S+ 0 0 29 -3,-0.6 4,-2.4 2,-0.1 5,-0.2 0.508 97.8 90.1-116.0 -5.3 13.3 20.1 19.1 474 218 B A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.895 89.3 49.1 -57.5 -44.6 14.1 18.1 15.9 475 219 B A H > S+ 0 0 64 -4,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.910 113.7 44.9 -62.5 -45.6 15.8 21.1 14.2 476 220 B E H 4 S+ 0 0 99 -4,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.844 115.5 47.9 -68.3 -35.9 18.0 21.9 17.2 477 221 B L H >< S+ 0 0 3 -4,-2.4 3,-1.6 1,-0.2 6,-0.2 0.955 112.0 48.6 -69.0 -48.5 18.9 18.2 17.8 478 222 B F H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.609 99.8 65.9 -72.2 -11.6 19.8 17.6 14.1 479 223 B A T 3< S+ 0 0 69 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.647 79.2 103.4 -79.7 -14.5 22.0 20.7 13.9 480 224 B Q S X S- 0 0 49 -3,-1.6 3,-1.2 -4,-0.3 -43,-0.0 -0.494 76.9-132.2 -71.4 136.2 24.4 19.1 16.4 481 225 B P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.728 100.9 41.7 -64.9 -26.7 27.5 17.7 14.7 482 226 B D T 3 S+ 0 0 16 -20,-0.0 2,-0.7 2,-0.0 -19,-0.2 0.366 91.3 93.3-104.5 6.3 27.5 14.2 16.2 483 227 B I < + 0 0 0 -3,-1.2 -19,-0.2 -6,-0.2 3,-0.1 -0.892 48.1 179.0-100.0 112.9 23.7 13.5 16.0 484 228 B D - 0 0 3 -21,-2.8 -223,-2.2 -2,-0.7 2,-0.3 0.191 58.0 -57.4-101.3 14.3 23.1 11.6 12.7 485 229 B G E -l 261 0D 1 -22,-0.4 -20,-2.6 -225,-0.2 2,-0.3 -0.972 62.9 -81.3 143.2-158.8 19.3 11.1 13.1 486 230 B A E -lr 262 465D 0 -225,-1.0 -223,-2.7 -2,-0.3 2,-0.7 -0.996 9.6-136.7-150.3 150.0 16.8 9.6 15.5 487 231 B L E -l 263 0D 7 -22,-1.9 2,-0.4 -2,-0.3 -223,-0.2 -0.956 40.4-154.4-104.1 110.4 15.3 6.3 16.6 488 232 B V E -l 264 0D 6 -225,-3.2 -223,-3.3 -2,-0.7 -20,-0.1 -0.763 18.9-178.7-100.1 132.1 11.7 7.4 17.0 489 233 B G S > S+ 0 0 23 -2,-0.4 3,-2.2 -22,-0.2 4,-0.3 0.700 72.2 6.6 -88.5-108.6 9.1 5.7 19.2 490 234 B G G > S+ 0 0 58 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.784 122.6 62.2 -49.1 -40.1 5.5 6.9 19.4 491 235 B A G > S+ 0 0 28 1,-0.3 3,-1.3 -22,-0.2 7,-0.4 0.695 88.2 72.8 -63.4 -18.8 5.7 9.5 16.6 492 236 B S G < S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.653 85.8 66.8 -71.5 -12.3 6.5 6.7 14.1 493 237 B L G < S+ 0 0 56 -3,-1.8 2,-0.5 -4,-0.3 -1,-0.2 0.469 95.7 60.7 -84.6 -2.9 2.8 5.6 14.4 494 238 B K S <> S- 0 0 141 -3,-1.3 4,-2.5 1,-0.1 5,-0.2 -0.979 73.4-150.9-127.6 116.8 1.6 8.8 12.7 495 239 B A H > S+ 0 0 10 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.876 95.5 49.1 -55.7 -43.6 2.9 9.4 9.1 496 240 B D H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 113.3 44.3 -66.1 -44.7 2.7 13.2 9.4 497 241 B A H > S+ 0 0 35 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.868 116.1 48.3 -67.9 -36.7 4.6 13.5 12.7 498 242 B F H X S+ 0 0 0 -4,-2.5 4,-2.1 -7,-0.4 3,-0.4 0.939 110.0 51.7 -67.3 -46.0 7.2 11.0 11.6 499 243 B A H X S+ 0 0 3 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.822 103.0 59.3 -61.0 -33.8 7.7 12.8 8.2 500 244 B V H X S+ 0 0 66 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.904 107.7 46.4 -61.9 -40.8 8.2 16.1 10.1 501 245 B I H X S+ 0 0 2 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.927 112.0 50.3 -66.1 -46.3 11.2 14.6 11.9 502 246 B V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.934 111.9 47.6 -58.1 -47.1 12.6 13.1 8.7 503 247 B K H X S+ 0 0 94 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.843 109.1 53.9 -64.7 -34.8 12.3 16.4 6.9 504 248 B A H X S+ 0 0 21 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.892 109.3 48.9 -65.0 -39.6 14.0 18.2 9.8 505 249 B A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.938 113.7 46.8 -64.2 -44.2 16.9 15.8 9.6 506 250 B E H X S+ 0 0 42 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.954 113.8 46.8 -61.6 -52.4 17.2 16.4 5.8 507 251 B A H < S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.5 52.7 -59.2 -37.0 17.0 20.1 6.1 508 252 B A H >< S+ 0 0 25 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.861 112.1 41.3 -70.4 -39.9 19.6 20.2 9.0 509 253 B K H 3< S+ 0 0 66 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.562 116.9 49.9 -87.7 -9.0 22.3 18.2 7.2 510 254 B Q T 3< 0 0 138 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.150 360.0 360.0-106.3 11.0 21.7 20.1 3.9 511 255 B A < 0 0 144 -3,-0.6 -3,-0.1 -5,-0.1 -4,-0.0 -0.315 360.0 360.0 -67.3 360.0 21.8 23.5 5.7