==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-MAR-04 1SW0 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR I.KURSULA,M.SALIN,J.SUN,B.V.NORLEDGE,A.M.HAAPALAINEN,N.S.SAM . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.4 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.3 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 . 10 2.0 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 7 5 2 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 3 4 3 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 0 142 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -61.6 7.9 5.4 3.1 2 3 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 200,-0.1 -0.442 360.0 -95.7 -72.0 155.7 11.1 6.9 1.7 3 4 A R - 0 0 66 198,-0.1 2,-0.3 -2,-0.1 200,-0.1 -0.544 39.2-113.3 -79.0 133.9 13.9 7.1 4.2 4 5 A K - 0 0 100 -2,-0.3 32,-0.1 1,-0.1 -1,-0.1 -0.495 34.8-108.9 -69.0 128.6 14.3 10.4 5.9 5 6 A F E -a 36 0A 12 30,-0.7 32,-2.9 -2,-0.3 2,-0.4 -0.325 38.5-159.1 -58.9 135.2 17.5 12.2 5.0 6 7 A F E -ab 37 227A 0 220,-2.0 222,-1.3 30,-0.2 2,-0.5 -0.987 13.8-175.5-128.9 124.9 19.9 12.2 8.0 7 8 A V E -ab 38 228A 0 30,-2.9 32,-2.1 -2,-0.4 2,-0.4 -0.982 5.7-172.2-125.8 120.6 22.8 14.6 8.7 8 9 A G E -ab 39 229A 2 220,-3.0 222,-2.9 -2,-0.5 2,-0.5 -0.904 9.8-153.8-108.7 140.6 25.1 14.1 11.7 9 10 A G E -ab 40 230A 2 30,-2.9 32,-3.4 -2,-0.4 2,-0.6 -0.959 3.0-163.2-109.7 132.2 27.8 16.5 12.8 10 11 A N E -a 41 0A 2 220,-3.1 224,-0.2 -2,-0.5 32,-0.1 -0.928 5.5-174.1-115.8 102.9 30.8 15.1 14.8 11 12 A W - 0 0 1 30,-2.1 3,-0.1 -2,-0.6 31,-0.1 0.608 22.1-168.5 -72.8 -12.4 32.6 18.0 16.5 12 13 A K - 0 0 17 29,-0.3 2,-1.2 1,-0.2 -1,-0.2 -0.254 61.4 -20.5 56.0-146.1 35.4 15.6 17.6 13 14 A M B S+I 319 0B 0 306,-1.9 306,-1.9 30,-0.1 2,-0.3 -0.574 109.7 112.9 -94.3 68.0 37.7 17.0 20.3 14 15 A N + 0 0 36 -2,-1.2 304,-0.1 304,-0.2 2,-0.1 -0.981 41.9 40.1-136.8 148.2 36.9 20.7 19.4 15 16 A G - 0 0 25 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.125 42.9-137.7 113.4 159.5 35.3 23.6 21.1 16 17 A D > - 0 0 59 -2,-0.1 4,-3.1 316,-0.0 5,-0.4 -0.867 47.5 -87.0-137.2-179.8 34.8 25.6 24.3 17 18 A K H > S+ 0 0 68 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.900 126.2 46.5 -55.4 -44.2 31.7 27.1 25.7 18 19 A K H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.966 118.2 38.8 -63.6 -55.3 32.1 30.3 23.8 19 20 A S H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.895 118.8 46.5 -69.3 -39.7 32.9 28.8 20.4 20 21 A L H X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.886 110.4 56.2 -67.5 -36.6 30.4 26.0 20.7 21 22 A G H X S+ 0 0 25 -4,-2.1 4,-2.2 -5,-0.4 -2,-0.2 0.879 107.3 48.1 -57.5 -44.9 27.8 28.5 21.9 22 23 A E H X S+ 0 0 121 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.910 110.9 50.5 -62.0 -45.0 28.4 30.6 18.8 23 24 A L H X S+ 0 0 24 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.907 111.6 47.8 -60.7 -41.8 28.0 27.5 16.5 24 25 A I H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.902 108.1 54.9 -69.4 -42.5 24.8 26.5 18.2 25 26 A H H X S+ 0 0 150 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.939 109.3 49.0 -52.5 -49.0 23.4 30.0 17.9 26 27 A T H X S+ 0 0 72 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.931 111.8 47.5 -57.4 -49.3 24.0 29.9 14.2 27 28 A L H < S+ 0 0 7 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.886 110.8 51.2 -62.7 -40.7 22.3 26.5 13.8 28 29 A N H < S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.815 113.1 46.4 -62.8 -34.7 19.3 27.5 15.8 29 30 A G H < S+ 0 0 68 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.608 94.7 98.1 -86.5 -14.4 18.9 30.7 13.7 30 31 A A S < S- 0 0 29 -4,-1.0 2,-1.1 -3,-0.5 -3,-0.0 -0.267 81.2-112.8 -76.4 160.0 19.3 29.0 10.3 31 32 A K - 0 0 197 -2,-0.0 2,-0.4 213,-0.0 -1,-0.1 -0.818 44.4-177.1 -88.1 97.3 16.6 27.9 7.9 32 33 A L - 0 0 14 -2,-1.1 209,-0.1 -5,-0.1 208,-0.0 -0.806 33.5 -95.7 -99.3 141.0 17.0 24.1 8.0 33 34 A S > - 0 0 20 -2,-0.4 3,-1.3 1,-0.1 -1,-0.1 -0.250 20.3-137.2 -53.9 136.0 14.9 21.8 5.8 34 35 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.755 103.6 56.1 -63.8 -24.7 11.8 20.3 7.5 35 36 A D T 3 S+ 0 0 114 2,-0.1 -30,-0.7 -31,-0.0 2,-0.4 0.127 87.9 89.7 -99.2 18.0 12.7 17.0 5.9 36 37 A T E < -a 5 0A 13 -3,-1.3 2,-0.6 -32,-0.1 -30,-0.2 -0.966 65.0-145.6-113.4 132.6 16.3 16.5 7.3 37 38 A E E -a 6 0A 59 -32,-2.9 -30,-2.9 -2,-0.4 2,-0.4 -0.884 24.5-163.0 -91.7 118.9 16.9 14.8 10.6 38 39 A V E +a 7 0A 10 -2,-0.6 21,-2.8 19,-0.4 2,-0.4 -0.876 14.3 178.1-113.8 134.0 19.9 16.6 12.2 39 40 A V E -ac 8 59A 3 -32,-2.1 -30,-2.9 -2,-0.4 2,-0.5 -0.998 12.9-155.9-133.7 136.1 22.1 15.3 15.1 40 41 A C E -ac 9 60A 1 19,-2.8 21,-2.4 -2,-0.4 2,-0.8 -0.949 8.5-149.9-114.2 127.5 25.2 17.1 16.6 41 42 A G E -ac 10 61A 1 -32,-3.4 -30,-2.1 -2,-0.5 -29,-0.3 -0.863 21.9-169.7-100.6 107.3 27.8 15.0 18.4 42 43 A A - 0 0 0 19,-1.3 21,-0.5 -2,-0.8 5,-0.1 -0.614 32.3 -92.2 -96.0 153.7 29.4 17.0 21.2 43 44 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.267 46.5-111.0 -52.6 146.7 32.4 16.3 23.4 44 45 A S G > S+ 0 0 18 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.857 116.0 57.9 -57.1 -38.2 31.2 14.6 26.5 45 46 A I G 3 S+ 0 0 4 1,-0.2 251,-0.3 2,-0.1 -1,-0.3 0.715 112.1 41.3 -62.1 -19.9 32.0 17.6 28.8 46 47 A Y G <> S+ 0 0 0 -3,-1.7 4,-2.9 1,-0.1 -1,-0.2 0.269 82.9 101.4-114.3 6.5 29.7 19.8 26.7 47 48 A L H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.5 5,-0.2 0.919 85.8 46.3 -58.4 -43.7 26.8 17.3 26.1 48 49 A D H > S+ 0 0 19 -4,-0.4 4,-2.3 245,-0.3 -1,-0.2 0.974 114.8 46.7 -65.5 -51.9 24.6 18.9 28.8 49 50 A F H > S+ 0 0 26 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.910 112.1 51.6 -50.1 -51.4 25.3 22.4 27.6 50 51 A A H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.910 110.3 47.2 -60.2 -45.5 24.6 21.4 24.0 51 52 A R H < S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.8 51.4 -65.5 -34.9 21.3 19.9 24.8 52 53 A Q H < S+ 0 0 139 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.887 118.0 36.9 -65.2 -39.5 20.2 22.9 26.8 53 54 A K H < S+ 0 0 119 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.806 98.7 88.4 -88.6 -36.3 21.1 25.4 24.0 54 55 A L S < S- 0 0 8 -4,-2.5 -29,-0.1 -5,-0.2 6,-0.0 -0.411 88.2 -99.0 -70.7 140.2 20.1 23.5 20.9 55 56 A D > - 0 0 67 -31,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.261 33.9-123.0 -45.2 133.3 16.6 23.6 19.4 56 57 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.806 109.7 68.6 -57.3 -30.5 14.8 20.5 20.5 57 58 A K T 3 S+ 0 0 129 2,-0.1 2,-0.5 -20,-0.0 -19,-0.4 0.757 91.5 73.9 -61.8 -23.8 14.2 19.5 16.9 58 59 A I S < S- 0 0 1 -3,-1.6 -19,-0.2 -21,-0.1 2,-0.1 -0.800 82.9-135.4 -92.2 126.5 17.9 18.9 16.6 59 60 A G E -c 39 0A 14 -21,-2.8 -19,-2.8 -2,-0.5 2,-0.4 -0.361 6.6-140.5 -81.5 162.3 19.3 15.8 18.3 60 61 A V E -c 40 0A 0 -21,-0.2 28,-1.9 26,-0.2 29,-1.4 -0.976 17.1-170.7-124.1 130.9 22.4 15.4 20.5 61 62 A A E -cd 41 89A 0 -21,-2.4 -19,-1.3 -2,-0.4 29,-0.3 -0.951 19.7-130.6-119.8 143.0 24.7 12.4 20.3 62 63 A A E - d 0 90A 1 27,-2.3 29,-2.4 -2,-0.4 3,-0.1 -0.543 18.5-133.9 -75.4 158.3 27.6 11.3 22.5 63 64 A Q S S- 0 0 6 -21,-0.5 2,-0.3 1,-0.2 31,-0.2 0.390 80.1 -9.4 -96.1 -1.3 30.8 10.4 20.7 64 65 A N - 0 0 14 28,-0.1 2,-0.3 259,-0.1 -1,-0.2 -0.913 59.0-175.6-179.5 158.6 31.4 7.2 22.6 65 66 A C - 0 0 1 -2,-0.3 13,-0.2 -3,-0.1 2,-0.1 -0.956 24.9-111.0-154.8 177.4 30.1 5.2 25.6 66 67 A Y - 0 0 17 11,-2.3 49,-0.0 -2,-0.3 -2,-0.0 -0.384 31.0-106.0-107.3-173.6 31.0 2.0 27.4 67 68 A K S S+ 0 0 72 -2,-0.1 11,-0.1 11,-0.1 -1,-0.0 0.318 91.3 48.2-108.0 6.8 29.1 -1.3 27.7 68 69 A V S S- 0 0 53 1,-0.0 -2,-0.2 3,-0.0 12,-0.1 -0.908 80.8-116.2-139.1 160.8 27.5 -1.5 31.2 69 70 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.766 87.1 -8.7 -72.6 -29.7 25.4 1.2 33.1 70 71 A K S S+ 0 0 147 192,-0.1 2,-0.3 7,-0.1 192,-0.2 -0.981 78.6 96.4-157.2 162.0 27.8 1.8 36.0 71 72 A G B S-J 261 0C 20 190,-1.8 2,-2.0 -2,-0.3 190,-1.8 -0.895 74.0 -28.7 145.4-164.0 30.9 0.6 37.6 72 73 A A S S+ 0 0 45 -2,-0.3 2,-0.3 188,-0.2 188,-0.1 -0.473 77.5 124.7 -89.2 68.3 34.7 0.8 38.0 73 74 A F > - 0 0 47 -2,-2.0 3,-2.2 3,-0.1 -1,-0.1 -0.670 49.4-153.6-127.8 77.1 35.6 2.2 34.6 74 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.263 79.7 17.9 -54.4 127.3 37.6 5.4 35.3 75 76 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 185,-0.1 2,-0.2 0.298 103.4 109.1 92.4 -5.1 37.2 7.9 32.4 76 77 A E < - 0 0 11 -3,-2.2 2,-0.3 235,-0.1 -1,-0.3 -0.674 50.6-151.9-104.1 157.9 34.1 6.2 30.8 77 78 A I - 0 0 11 -2,-0.2 -11,-2.3 -3,-0.1 -7,-0.1 -0.927 12.3-142.3-124.4 154.7 30.5 7.2 30.4 78 79 A S >> - 0 0 0 -2,-0.3 4,-1.5 -13,-0.2 3,-0.7 -0.691 28.4-109.0-112.0 159.1 27.4 4.9 30.1 79 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.815 116.9 63.8 -53.4 -33.3 24.2 5.1 28.1 80 81 A A H 3> S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -10,-0.1 0.878 103.2 47.0 -61.3 -38.3 22.3 5.8 31.3 81 82 A M H <> S+ 0 0 2 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.880 110.7 52.6 -68.1 -37.8 24.3 9.0 31.8 82 83 A I H <>S+ 0 0 0 -4,-1.5 5,-1.7 1,-0.2 4,-0.5 0.933 111.4 45.6 -67.7 -42.9 23.7 10.1 28.2 83 84 A K H ><5S+ 0 0 107 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.856 105.0 64.0 -66.7 -34.1 19.9 9.6 28.5 84 85 A D H 3<5S+ 0 0 62 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.831 105.4 43.5 -62.9 -35.3 20.0 11.4 31.9 85 86 A I T 3<5S- 0 0 12 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.481 123.5-102.6 -91.9 0.9 21.1 14.7 30.2 86 87 A G T < 5S+ 0 0 40 -3,-1.1 -26,-0.2 -4,-0.5 -3,-0.2 0.484 71.6 141.9 96.7 4.1 18.6 14.3 27.3 87 88 A A < - 0 0 4 -5,-1.7 -1,-0.3 1,-0.1 -26,-0.2 -0.487 30.6-167.6 -70.5 150.3 20.9 13.1 24.5 88 89 A A + 0 0 51 -28,-1.9 33,-2.9 -2,-0.1 2,-0.3 0.439 58.9 49.7-122.0 -3.4 19.2 10.5 22.3 89 90 A W E -de 61 121A 24 -29,-1.4 -27,-2.3 31,-0.2 2,-0.3 -0.917 52.6-162.6-137.0 156.8 22.1 9.1 20.2 90 91 A V E -de 62 122A 0 31,-1.5 33,-2.4 -2,-0.3 2,-0.5 -0.994 19.2-134.4-139.1 143.7 25.6 7.7 20.4 91 92 A I E - e 0 123A 3 -29,-2.4 2,-0.4 -2,-0.3 33,-0.2 -0.826 31.2-175.4 -91.0 125.8 28.3 7.3 17.8 92 93 A L E + e 0 124A 1 31,-2.8 33,-2.5 -2,-0.5 -28,-0.1 -0.973 55.2 15.7-127.8 139.4 29.9 3.9 18.0 93 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.2 31,-0.1 0.709 73.6 174.6 82.4 23.5 32.8 2.3 16.2 94 95 A H >> - 0 0 2 -31,-0.2 4,-2.2 1,-0.1 3,-0.8 -0.318 44.1-112.8 -67.5 147.9 34.3 5.5 14.7 95 96 A S H 3> S+ 0 0 15 1,-0.3 4,-2.7 2,-0.2 5,-0.5 0.800 116.6 55.8 -44.1 -42.7 37.5 5.1 12.9 96 97 A E H 3>>S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 5,-1.3 0.913 107.9 47.9 -67.0 -37.0 39.3 7.1 15.5 97 98 A R H <45S+ 0 0 10 -3,-0.8 6,-2.2 3,-0.2 4,-0.2 0.893 116.8 44.3 -64.4 -43.2 38.2 4.8 18.3 98 99 A R H <5S+ 0 0 21 -4,-2.2 4,-0.3 4,-0.2 -2,-0.2 0.937 125.7 25.8 -65.8 -50.8 39.2 1.7 16.2 99 100 A H H <5S+ 0 0 76 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.701 130.7 33.9-101.3 -23.2 42.6 2.7 14.9 100 101 A V T <5S+ 0 0 73 -4,-1.8 -3,-0.2 -5,-0.5 -2,-0.1 0.835 131.8 29.2 -94.7 -41.8 43.9 5.3 17.4 101 102 A F S - 0 0 53 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.335 22.4-110.2 -81.8 164.2 37.8 -4.2 18.5 105 106 A D H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.843 119.8 56.3 -60.9 -33.9 34.7 -5.3 16.6 106 107 A E H > S+ 0 0 153 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.934 109.0 44.4 -69.4 -41.3 33.8 -7.4 19.6 107 108 A L H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 113.7 50.8 -61.0 -47.7 33.9 -4.4 22.0 108 109 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.913 108.0 52.7 -61.2 -44.1 31.9 -2.3 19.5 109 110 A G H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.861 109.5 48.3 -58.4 -39.0 29.3 -5.0 19.1 110 111 A Q H X S+ 0 0 80 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.881 111.2 51.7 -70.9 -37.9 28.8 -5.2 22.9 111 112 A K H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.937 108.8 50.8 -61.2 -47.7 28.5 -1.3 23.0 112 113 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.942 110.7 48.2 -56.4 -47.3 25.9 -1.4 20.3 113 114 A A H X S+ 0 0 36 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.904 113.3 47.2 -64.5 -38.7 23.8 -3.9 22.2 114 115 A H H X S+ 0 0 31 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.923 110.8 51.1 -69.1 -44.4 24.0 -2.1 25.5 115 116 A A H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.3 0.900 112.7 46.7 -56.6 -46.4 23.1 1.4 23.9 116 117 A L H ><5S+ 0 0 31 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 0.841 107.8 55.2 -68.1 -33.4 20.1 -0.1 22.2 117 118 A A H 3<5S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.824 107.6 51.5 -67.3 -32.4 18.9 -1.9 25.3 118 119 A E T 3<5S- 0 0 55 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.452 124.0-102.4 -84.3 -2.6 19.0 1.4 27.2 119 120 A G T < 5S+ 0 0 35 -3,-0.9 2,-0.2 -4,-0.3 -3,-0.2 0.512 74.6 134.1 96.2 7.8 16.9 3.2 24.6 120 121 A L < - 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0 0 49 -2,-0.4 4,-1.4 20,-0.1 3,-0.4 -0.827 54.0 -92.2-131.9 174.6 37.2 3.0 53.9 461 214 B G T 4 S+ 0 0 24 -2,-0.3 4,-0.3 1,-0.2 -2,-0.0 0.746 122.6 55.7 -52.9 -30.4 36.0 4.7 57.1 462 215 B G T 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.786 117.2 27.1 -83.1 -30.3 37.2 1.6 59.0 463 216 B N T > S+ 0 0 5 -3,-0.4 4,-1.9 -5,-0.1 3,-0.2 0.494 93.6 92.8-108.1 -5.1 40.9 1.5 57.9 464 217 B C H X S+ 0 0 1 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.854 84.2 51.0 -65.5 -37.7 41.7 5.2 57.1 465 218 B K H > S+ 0 0 135 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.888 111.0 47.9 -69.4 -36.2 43.1 6.2 60.5 466 219 B E H 4 S+ 0 0 113 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.878 116.6 44.8 -70.1 -38.2 45.5 3.3 60.7 467 220 B L H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.923 110.2 52.9 -69.3 -42.6 46.7 4.0 57.2 468 221 B A H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.728 95.1 71.2 -70.1 -22.6 47.0 7.8 57.6 469 222 B S T 3< S+ 0 0 71 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.683 73.6 103.7 -69.0 -20.0 49.2 7.5 60.7 470 223 B Q S X S- 0 0 48 -3,-1.4 3,-1.4 -4,-0.3 -44,-0.0 -0.432 78.6-124.6 -69.8 139.4 52.1 6.2 58.6 471 224 B H T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.804 103.7 36.5 -55.8 -39.1 54.8 8.9 58.1 472 225 B D T 3 S+ 0 0 26 -20,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.239 89.5 99.1-107.1 9.9 55.0 8.9 54.3 473 226 B V < + 0 0 5 -3,-1.4 -19,-0.2 -5,-0.2 3,-0.1 -0.913 47.1 177.7 -98.6 112.4 51.4 8.3 53.6 474 227 B D - 0 0 12 -21,-2.3 -220,-1.7 -2,-0.7 2,-0.3 0.170 54.8 -52.3-105.5 11.7 50.1 11.8 52.8 475 228 B G E -l 254 0D 0 -22,-0.3 -20,-2.4 -222,-0.2 2,-0.3 -0.963 60.3 -78.0 145.2-165.6 46.6 11.0 52.0 476 229 B F E -lr 255 455D 0 -222,-1.9 -220,-2.7 -2,-0.3 2,-0.5 -0.977 4.0-148.5-144.3 146.8 44.2 8.9 49.9 477 230 B L E -lr 256 456D 4 -22,-1.6 -20,-0.5 -2,-0.3 2,-0.4 -0.992 34.1-164.6-111.7 121.4 42.6 8.3 46.5 478 231 B V E +l 257 0D 2 -222,-3.0 -220,-3.5 -2,-0.5 -18,-0.1 -0.938 21.0 166.3-119.2 130.4 39.2 6.8 47.3 479 232 B G S > S+ 0 0 18 -2,-0.4 3,-1.5 -222,-0.2 4,-0.4 0.756 74.2 22.0-100.5 -92.6 36.9 5.1 44.9 480 233 B G G > S+ 0 0 51 1,-0.3 3,-1.3 2,-0.2 -20,-0.1 0.833 124.0 50.5 -46.7 -46.7 34.0 3.1 46.3 481 234 B A G > S+ 0 0 8 -22,-0.4 3,-1.5 1,-0.2 6,-0.6 0.667 94.1 76.2 -74.4 -15.3 33.8 4.8 49.6 482 235 B S G < S+ 0 0 0 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.625 90.8 55.8 -68.1 -14.5 33.7 8.3 47.8 483 236 B L G < S+ 0 0 63 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.1 0.276 103.2 73.4 -93.3 7.7 30.1 7.7 46.8 484 237 B K S X S- 0 0 111 -3,-1.5 3,-2.0 1,-0.1 4,-0.2 -0.856 91.2-110.8-124.6 153.5 29.1 7.2 50.5 485 238 B P T > S+ 0 0 102 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.766 110.2 72.9 -54.8 -26.8 28.7 9.4 53.6 486 239 B E T 3> S+ 0 0 58 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.646 74.1 83.4 -65.4 -15.3 31.9 7.8 55.2 487 240 B F H <> S+ 0 0 0 -3,-2.0 4,-2.2 -6,-0.6 -1,-0.3 0.848 85.4 58.0 -47.3 -39.3 33.9 9.8 52.6 488 241 B V H <> S+ 0 0 24 -3,-1.8 4,-1.8 -4,-0.2 -1,-0.2 0.930 103.7 51.6 -59.6 -45.3 33.5 12.6 55.2 489 242 B D H 4 S+ 0 0 98 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.853 108.2 51.2 -56.8 -37.3 35.2 10.4 57.8 490 243 B I H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.927 107.4 52.1 -69.8 -43.0 38.1 9.7 55.4 491 244 B I H 3< S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.881 113.5 46.4 -56.0 -38.3 38.6 13.4 54.7 492 245 B N T >< S+ 0 0 39 -4,-1.8 3,-2.0 1,-0.2 -1,-0.3 0.063 75.6 125.6 -92.4 25.5 38.8 13.9 58.5 493 246 B A T < S+ 0 0 7 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.750 71.2 51.9 -61.8 -28.8 41.2 10.9 59.1 494 247 B K T 3 0 0 104 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.541 360.0 360.0 -84.7 -7.7 43.7 13.0 61.0 495 248 B H < 0 0 145 -3,-2.0 -3,-0.1 -214,-0.0 -2,-0.1 0.172 360.0 360.0-134.8 360.0 41.1 14.4 63.4