==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)27-JUL-94 1MSS . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR K.V.RADHA KISHAN,R.K.WIERENGA . 484 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 49 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 3 6 1 0 0 4 0 0 5 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 5 6 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 . 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 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 S 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.7 2.2 7.3 -17.7 2 3 A K - 0 0 65 1,-0.1 195,-0.1 218,-0.0 197,-0.1 -0.416 360.0-117.5 -70.3 142.6 1.4 6.3 -14.1 3 4 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 195,-0.1 0.038 57.0 -56.2 -63.7-177.4 0.6 2.7 -13.3 4 5 A Q - 0 0 65 193,-0.1 32,-0.1 1,-0.1 217,-0.1 -0.499 63.9-121.7 -69.6 124.8 -2.8 1.8 -11.9 5 6 A P - 0 0 10 0, 0.0 32,-1.6 0, 0.0 2,-0.3 -0.062 20.6-149.7 -61.1 165.5 -3.4 3.7 -8.7 6 7 A I E -ab 37 222A 0 215,-1.1 217,-2.2 30,-0.2 2,-0.7 -0.952 11.5-171.2-145.8 121.2 -4.1 2.1 -5.3 7 8 A A E +ab 38 223A 0 30,-1.6 32,-2.3 -2,-0.3 2,-0.4 -0.903 19.8 178.5-114.0 100.8 -6.2 3.3 -2.5 8 9 A A E -ab 39 224A 0 215,-2.6 217,-2.0 -2,-0.7 2,-0.6 -0.873 21.2-150.7-112.1 139.7 -5.8 1.1 0.5 9 10 A A E -ab 40 225A 3 30,-3.2 32,-3.3 -2,-0.4 2,-1.0 -0.915 8.2-155.5-107.3 118.9 -7.3 1.4 4.0 10 11 A N E -ab 41 226A 10 215,-3.8 217,-0.6 -2,-0.6 2,-0.3 -0.767 17.5-173.3 -98.2 91.5 -5.2 -0.1 6.8 11 12 A W - 0 0 18 30,-2.1 2,-0.3 -2,-1.0 32,-0.2 -0.623 3.9-172.6 -87.9 142.7 -7.6 -1.0 9.6 12 13 A K - 0 0 21 -2,-0.3 3,-0.4 30,-0.1 -2,-0.0 -0.876 33.0 -90.3-134.8 171.6 -6.4 -2.1 13.0 13 14 A C S S+ 0 0 8 -2,-0.3 2,-4.1 1,-0.3 275,-0.2 0.831 107.2 63.2 -47.3 -68.3 -7.5 -3.5 16.3 14 15 A N S S+ 0 0 22 272,-0.1 2,-0.4 273,-0.1 -1,-0.3 0.032 89.9 92.2 -59.8 37.9 -8.2 -0.7 18.6 15 16 A G S S- 0 0 17 -2,-4.1 5,-0.0 -3,-0.4 -4,-0.0 -0.981 83.9-107.5-127.9 136.7 -10.9 0.3 16.2 16 17 A S > - 0 0 38 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.247 8.5-127.4 -75.6 159.5 -14.4 -0.9 16.7 17 18 A Q H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.847 115.1 50.9 -65.9 -36.9 -16.4 -3.6 14.8 18 19 A Q H > S+ 0 0 124 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.910 109.1 51.1 -66.2 -42.6 -19.2 -1.1 14.3 19 20 A S H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.912 112.2 45.3 -60.8 -44.9 -16.7 1.4 13.0 20 21 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.901 113.3 53.9 -63.4 -39.2 -15.4 -1.1 10.6 21 22 A S H X S+ 0 0 23 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.964 106.5 47.7 -58.2 -60.9 -19.0 -1.9 9.8 22 23 A E H X S+ 0 0 139 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.882 110.6 54.5 -49.1 -45.3 -20.1 1.6 9.0 23 24 A L H X S+ 0 0 21 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.922 104.5 52.1 -57.1 -49.8 -17.1 2.1 6.8 24 25 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 31,-0.2 0.899 108.6 51.2 -56.8 -41.9 -17.8 -1.0 4.6 25 26 A D H X S+ 0 0 80 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.902 109.3 52.0 -61.5 -41.1 -21.4 0.2 4.0 26 27 A L H X S+ 0 0 51 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.952 110.0 47.3 -58.8 -52.0 -20.0 3.5 2.9 27 28 A F H >< S+ 0 0 5 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.890 110.7 53.0 -56.7 -44.2 -17.7 2.0 0.5 28 29 A N H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 109.5 47.3 -60.1 -44.2 -20.4 -0.2 -0.9 29 30 A S H 3< S+ 0 0 100 -4,-2.3 -1,-0.2 -5,-0.2 2,-0.2 0.618 96.0 100.0 -74.0 -13.2 -22.7 2.6 -1.5 30 31 A T << - 0 0 25 -4,-0.9 2,-0.5 -3,-0.6 -3,-0.0 -0.511 66.9-138.4 -80.3 143.2 -20.0 4.6 -3.2 31 32 A S - 0 0 89 -2,-0.2 2,-0.5 25,-0.1 -2,-0.1 -0.869 17.4-176.9-104.4 128.5 -19.5 4.8 -6.9 32 33 A I + 0 0 12 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.878 11.3 167.0-127.7 98.3 -16.1 4.6 -8.5 33 34 A N + 0 0 153 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.357 54.3 82.7 -94.5 6.4 -16.1 5.1 -12.3 34 35 A H S S- 0 0 35 2,-0.0 2,-1.3 1,-0.0 208,-0.0 -0.717 92.5 -91.0-111.2 161.5 -12.4 5.5 -12.7 35 36 A D S S+ 0 0 107 -2,-0.3 2,-0.3 2,-0.1 -2,-0.1 -0.551 71.4 131.5 -74.0 94.1 -9.5 3.0 -12.9 36 37 A V - 0 0 2 -2,-1.3 2,-0.8 -4,-0.1 -30,-0.2 -0.996 50.9-135.0-145.6 146.4 -8.4 2.5 -9.3 37 38 A Q E -a 6 0A 38 -32,-1.6 -30,-1.6 -2,-0.3 2,-0.2 -0.872 23.8-164.4-107.9 104.0 -7.6 -0.4 -7.1 38 39 A C E -ac 7 59A 0 20,-2.6 22,-1.3 -2,-0.8 2,-0.4 -0.572 6.2-170.3 -86.9 149.5 -9.1 -0.1 -3.7 39 40 A V E -ac 8 60A 0 -32,-2.3 -30,-3.2 20,-0.2 2,-0.6 -0.997 16.9-158.1-145.3 137.4 -8.1 -2.3 -0.8 40 41 A V E -ac 9 61A 4 20,-2.4 22,-2.3 -2,-0.4 2,-0.3 -0.936 15.4-166.0-117.8 107.6 -9.2 -2.9 2.7 41 42 A A E +ac 10 62A 0 -32,-3.3 -30,-2.1 -2,-0.6 2,-0.3 -0.727 14.2 172.4 -92.3 141.9 -6.7 -4.3 5.0 42 43 A S - 0 0 1 20,-1.7 22,-0.4 -2,-0.3 -30,-0.1 -0.999 32.3-105.9-151.6 152.7 -7.6 -5.8 8.3 43 44 A T >> - 0 0 2 -2,-0.3 3,-1.2 -32,-0.2 4,-1.1 -0.092 47.5 -96.9 -65.4 170.4 -6.4 -7.7 11.2 44 45 A S H >> S+ 0 0 55 1,-0.2 3,-0.7 212,-0.2 4,-0.6 0.900 118.5 62.9 -57.4 -46.0 -7.2 -11.3 11.7 45 46 A S H 34 S+ 0 0 36 1,-0.2 -1,-0.2 211,-0.2 4,-0.2 0.602 113.5 33.5 -58.7 -15.9 -10.2 -10.7 14.0 46 47 A H H <> S+ 0 0 2 -3,-1.2 4,-2.1 2,-0.1 5,-0.4 0.538 87.4 96.8-118.3 -11.8 -12.1 -8.9 11.3 47 48 A L H > S+ 0 0 27 1,-0.2 3,-1.5 2,-0.2 4,-1.4 0.976 113.7 43.7 -57.8 -64.9 -16.6 -9.9 8.7 50 51 A T H 3X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.744 111.5 59.1 -55.3 -23.8 -15.3 -7.5 6.0 51 52 A K H 3< S+ 0 0 77 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.807 108.4 43.3 -73.9 -30.8 -15.1 -10.5 3.8 52 53 A E H << S+ 0 0 157 -3,-1.5 -2,-0.2 -4,-1.2 -1,-0.2 0.654 122.9 35.4 -88.7 -20.5 -18.7 -11.2 4.1 53 54 A R H < S+ 0 0 76 -4,-1.4 2,-0.5 -5,-0.1 -2,-0.2 0.696 89.1 95.3-108.8 -26.9 -19.9 -7.6 3.8 54 55 A L < + 0 0 22 -4,-2.0 -29,-0.1 -5,-0.3 7,-0.1 -0.576 36.3 150.8 -71.6 117.4 -17.5 -6.0 1.3 55 56 A S + 0 0 94 -2,-0.5 -1,-0.2 -31,-0.2 4,-0.1 0.531 21.4 125.6-124.8 -13.2 -19.2 -6.1 -2.1 56 57 A H > - 0 0 20 -32,-0.2 3,-1.1 1,-0.1 -28,-0.1 -0.213 57.0-138.6 -52.2 134.5 -17.8 -3.1 -4.1 57 58 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.759 99.8 55.1 -69.3 -28.1 -16.3 -4.3 -7.4 58 59 A K T 3 S+ 0 0 63 -21,-0.1 -20,-2.6 2,-0.0 2,-0.4 0.320 98.0 88.2 -88.3 9.5 -13.3 -1.9 -7.2 59 60 A F E < -c 38 0A 15 -3,-1.1 2,-0.3 -22,-0.2 -20,-0.2 -0.864 50.8-177.0-114.6 146.3 -12.4 -3.3 -3.8 60 61 A V E -c 39 0A 43 -22,-1.3 -20,-2.4 -2,-0.4 2,-0.3 -0.920 23.8-122.2-131.7 157.0 -10.2 -6.2 -2.6 61 62 A I E -c 40 0A 27 -2,-0.3 20,-0.5 18,-0.2 21,-0.4 -0.782 27.1-174.4-104.1 146.1 -9.5 -7.6 0.7 62 63 A A E -c 41 0A 0 -22,-2.3 -20,-1.7 -2,-0.3 21,-0.3 -0.985 14.0-138.9-139.8 151.7 -6.1 -7.9 2.3 63 64 A A E -d 83 0A 3 19,-3.0 21,-2.4 -2,-0.3 2,-0.4 -0.335 18.2-126.9 -96.6-178.1 -4.6 -9.4 5.4 64 65 A Q E S-d 84 0A 14 -22,-0.4 -20,-0.2 19,-0.2 21,-0.2 -0.937 70.5 -9.8-141.5 120.9 -1.8 -8.0 7.6 65 66 A N S S+ 0 0 13 19,-1.8 2,-0.3 -2,-0.4 20,-0.1 0.522 70.2 161.3 83.3 8.8 1.5 -9.6 8.8 66 67 A A + 0 0 17 1,-0.2 -1,-0.2 18,-0.2 42,-0.2 -0.472 5.8 149.5 -67.6 124.7 1.0 -13.2 7.7 67 68 A G + 0 0 26 -2,-0.3 -1,-0.2 40,-0.1 5,-0.1 0.704 37.9 95.8-118.9 -49.6 4.4 -15.1 7.6 68 69 A N S > S- 0 0 101 1,-0.1 4,-2.3 3,-0.1 5,-0.1 -0.150 71.4-134.1 -49.7 135.1 3.7 -18.7 8.4 69 70 A A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.865 107.6 49.8 -60.6 -37.8 3.4 -20.9 5.3 70 71 A D H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 108.5 52.2 -67.4 -43.0 0.3 -22.5 6.8 71 72 A A H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.904 109.1 50.8 -58.9 -42.8 -1.2 -19.2 7.6 72 80 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.949 106.1 54.7 -58.6 -51.6 -0.7 -18.1 4.1 73 81 A A H X S+ 0 0 59 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.871 107.0 51.4 -49.9 -44.9 -2.3 -21.2 2.7 74 82 A S H X S+ 0 0 69 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.912 108.6 50.8 -60.6 -45.8 -5.4 -20.5 4.8 75 83 A L H X>S+ 0 0 22 -4,-1.9 5,-2.8 2,-0.2 4,-0.6 0.946 109.9 49.7 -56.5 -51.0 -5.7 -17.0 3.5 76 84 A K H ><5S+ 0 0 81 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.930 116.1 42.0 -53.3 -49.2 -5.4 -18.2 -0.1 77 85 A D H 3<5S+ 0 0 149 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.4 59.8 -67.9 -34.2 -8.1 -20.7 0.5 78 86 A F H 3<5S- 0 0 75 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.541 124.7-103.8 -72.5 -6.2 -10.2 -18.3 2.5 79 87 A G T <<5S+ 0 0 45 -3,-1.1 2,-0.5 -4,-0.6 -18,-0.2 0.742 81.7 125.6 89.7 28.4 -10.2 -16.1 -0.6 80 88 A V < + 0 0 1 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.954 19.9 160.1-122.8 113.5 -7.7 -13.5 0.5 81 89 A N + 0 0 69 -2,-0.5 33,-2.6 -20,-0.5 2,-0.4 0.030 51.0 82.2-124.1 31.2 -4.7 -12.8 -1.8 82 90 A W E - e 0 114A 19 -21,-0.4 -19,-3.0 31,-0.2 2,-0.4 -0.996 53.1-178.1-132.6 135.4 -3.4 -9.4 -0.7 83 91 A I E -de 63 115A 0 31,-2.9 33,-2.5 -2,-0.4 2,-0.5 -0.996 21.2-145.5-143.3 139.6 -1.2 -8.7 2.2 84 92 A V E +de 64 116A 2 -21,-2.4 -19,-1.8 -2,-0.4 2,-0.3 -0.881 29.0 177.7-100.9 122.4 0.3 -5.7 3.9 85 93 A L E + e 0 117A 0 31,-2.8 33,-2.5 -2,-0.5 16,-0.0 -0.944 48.5 24.4-129.3 151.0 3.8 -6.3 5.4 86 94 A G + 0 0 1 -2,-0.3 5,-0.2 31,-0.2 -1,-0.1 0.608 68.1 177.0 80.8 17.1 6.5 -4.3 7.2 87 95 A H >> - 0 0 21 -3,-0.1 4,-1.7 1,-0.1 3,-1.1 -0.086 41.8-110.0 -51.6 150.7 4.3 -1.6 8.8 88 96 A S H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.864 117.3 50.7 -51.2 -46.1 6.1 0.9 11.0 89 97 A E H 3>>S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 5,-0.6 0.722 106.6 56.9 -70.2 -18.2 4.5 -0.4 14.3 90 98 A R H <>5S+ 0 0 26 -3,-1.1 4,-1.0 3,-0.2 6,-0.9 0.899 110.2 42.4 -76.3 -42.1 5.4 -4.0 13.4 91 99 A R H <5S+ 0 0 36 -4,-1.7 4,-0.4 4,-0.2 -2,-0.2 0.902 120.8 42.3 -69.2 -43.1 9.1 -3.1 13.1 92 100 A A H <5S+ 0 0 29 -4,-2.3 316,-0.4 -5,-0.2 -2,-0.2 0.968 128.7 22.4 -69.4 -59.7 9.1 -1.0 16.2 93 101 A Y H <5S+ 0 0 43 -4,-1.8 378,-1.8 -5,-0.2 379,-0.3 0.773 131.4 39.9 -83.2 -31.6 7.0 -3.0 18.7 94 102 A Y S < - 0 0 63 -2,-1.0 4,-3.4 -3,-0.1 5,-0.3 -0.237 33.8-101.6 -72.6 166.0 13.9 -6.4 11.0 98 106 A N H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.795 127.6 52.1 -54.8 -28.0 14.6 -5.7 7.4 99 107 A E H > S+ 0 0 123 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.963 109.4 43.9 -72.7 -56.5 15.5 -9.3 7.3 100 108 A I H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 115.9 49.7 -54.2 -46.0 12.3 -10.7 8.9 101 109 A V H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.860 109.7 51.5 -62.6 -36.6 10.3 -8.4 6.7 102 110 A A H X S+ 0 0 2 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.893 108.2 52.0 -67.0 -41.1 12.2 -9.6 3.7 103 111 A D H X S+ 0 0 96 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.931 110.3 47.9 -60.4 -48.9 11.6 -13.2 4.5 104 112 A K H >X S+ 0 0 32 -4,-2.2 4,-2.8 1,-0.2 3,-0.5 0.961 108.4 53.0 -55.8 -57.8 7.8 -12.6 4.9 105 113 A V H 3X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.843 109.6 50.0 -47.4 -41.9 7.5 -10.7 1.6 106 114 A A H 3X S+ 0 0 25 -4,-1.7 4,-1.2 2,-0.2 -1,-0.3 0.865 111.3 49.1 -67.2 -37.9 9.2 -13.6 -0.2 107 115 A A H S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.3 4,-0.4 0.925 111.1 51.8 -55.1 -50.1 3.8 -14.3 0.5 109 117 A V H ><5S+ 0 0 14 -4,-2.3 3,-0.6 -5,-0.3 -1,-0.3 0.796 109.1 52.3 -59.5 -28.3 4.9 -13.6 -3.0 110 118 A A H 3<5S+ 0 0 85 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.843 102.2 57.8 -75.4 -34.0 5.5 -17.3 -3.3 111 119 A S T 3<5S- 0 0 45 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.484 125.2-105.1 -73.8 -2.8 2.1 -18.1 -2.1 112 120 A G T < 5S+ 0 0 21 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.542 72.2 147.8 90.3 10.0 0.8 -16.0 -5.0 113 121 A F < - 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0 0 0 -21,-3.0 -215,-1.5 -2,-0.6 2,-0.3 0.289 57.7 -48.3-112.8 8.5 6.4 -1.5 41.1 465 230 B G E -j 249 0B 0 -22,-0.5 -20,-1.7 -217,-0.2 2,-0.3 -0.998 61.0 -77.1 159.7-157.3 5.6 -3.9 38.2 466 231 B F E -jp 250 445B 0 -217,-2.1 -215,-3.0 -2,-0.3 2,-0.5 -0.998 3.7-155.4-147.5 151.5 5.4 -4.3 34.5 467 232 B L E -j 251 0B 11 -22,-1.7 2,-0.4 -2,-0.3 -215,-0.2 -0.791 30.8-168.4-123.2 79.8 3.4 -3.5 31.4 468 233 B V E +j 252 0B 1 -217,-2.3 -215,-3.5 -2,-0.5 2,-0.3 -0.623 21.4 137.2 -80.3 126.3 4.4 -6.2 29.0 469 234 B G E > +j 253 0B 24 -2,-0.4 3,-1.2 -217,-0.2 -215,-0.1 -0.903 40.1 25.8-153.2 177.8 3.4 -5.9 25.4 470 235 B G G > S- 0 0 19 -217,-0.6 3,-1.0 -2,-0.3 -376,-0.2 -0.373 125.3 -12.9 65.4-135.0 4.5 -6.4 21.8 471 236 B A G 3 S+ 0 0 51 -378,-1.8 -1,-0.3 1,-0.2 -377,-0.1 0.771 130.3 69.5 -70.1 -27.6 7.3 -8.9 21.3 472 237 B S G < S+ 0 0 16 -3,-1.2 2,-1.5 -379,-0.3 -1,-0.2 0.611 76.9 97.2 -66.5 -10.3 8.0 -9.0 25.1 473 238 B L < + 0 0 31 -3,-1.0 -1,-0.1 -4,-0.1 -3,-0.1 -0.631 53.5 135.9 -85.4 86.7 4.7 -10.7 25.4 474 239 B K S > S- 0 0 84 -2,-1.5 3,-2.1 -5,-0.1 4,-0.1 -0.726 73.8 -92.2-123.2 174.1 5.6 -14.4 25.5 475 240 B P T > S+ 0 0 81 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.727 116.6 78.1 -60.4 -17.3 4.6 -17.3 27.5 476 241 B E T >> + 0 0 60 1,-0.3 3,-1.6 2,-0.2 4,-1.3 0.466 59.0 102.0 -73.2 3.1 7.4 -16.4 29.8 477 242 B F H <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.3 -1,-0.3 0.796 72.3 67.6 -53.8 -25.3 5.2 -13.7 31.2 478 243 B V H <> S+ 0 0 23 -3,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.884 95.5 51.7 -61.3 -42.0 4.8 -16.2 34.0 479 244 B D H <> S+ 0 0 92 -3,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.860 104.9 57.1 -63.2 -37.4 8.4 -15.7 34.9 480 245 B I H < S+ 0 0 0 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.888 102.6 54.3 -61.5 -40.5 7.8 -12.0 35.1 481 246 B I H >< S+ 0 0 1 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.900 108.0 49.7 -60.2 -42.6 5.1 -12.4 37.6 482 247 B K H >< S+ 0 0 49 -4,-1.5 3,-2.5 1,-0.3 -1,-0.2 0.821 96.1 69.7 -67.3 -32.2 7.4 -14.4 39.9 483 248 B A T 3< S+ 0 0 9 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.600 92.0 63.2 -61.9 -10.3 10.1 -11.7 39.6 484 249 B T T < 0 0 2 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.350 360.0 360.0 -95.7 3.6 7.7 -9.6 41.6 485 250 B Q < 0 0 132 -3,-2.5 -3,-0.0 -208,-0.1 -206,-0.0 -0.361 360.0 360.0 -63.3 360.0 7.9 -11.9 44.6