==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)23-APR-91 6TIM . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR M.E.M.NOBLE,R.K.WIERENGA,W.G.J.HOL . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 15.7 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 . 50 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 31.9 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 0 3 9 2 0 0 0 0 1 4 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 8 4 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 2 A S 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.1 29.0 56.7 21.0 2 3 A K - 0 0 68 1,-0.1 202,-0.1 202,-0.0 204,-0.1 -0.881 360.0-102.2-135.1 162.8 29.9 53.6 19.0 3 4 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 -0.049 65.2 -58.7 -74.3 179.9 29.8 52.3 15.5 4 5 A Q - 0 0 55 200,-0.1 32,-0.2 1,-0.1 2,-0.0 -0.313 63.4-125.9 -59.8 127.8 27.2 49.8 14.2 5 6 A P - 0 0 8 0, 0.0 32,-2.0 0, 0.0 2,-0.4 -0.434 16.8-144.5 -72.4 170.2 27.5 46.6 16.3 6 7 A I E -ab 37 229A 0 222,-1.8 224,-1.8 30,-0.2 2,-0.7 -0.996 9.3-165.5-131.2 126.8 28.0 43.1 14.9 7 8 A A E -ab 38 230A 0 30,-1.9 32,-2.7 -2,-0.4 2,-0.5 -0.945 19.1-173.3-110.1 104.7 26.6 39.9 16.2 8 9 A A E -ab 39 231A 2 222,-3.3 224,-5.1 -2,-0.7 2,-0.7 -0.952 13.3-158.2-106.3 118.9 28.6 37.1 14.5 9 10 A A E -ab 40 232A 0 30,-2.5 32,-3.0 -2,-0.5 2,-1.0 -0.857 3.8-167.1 -86.9 109.5 27.6 33.4 14.9 10 11 A N E -a 41 0A 1 222,-3.9 226,-0.2 -2,-0.7 227,-0.2 -0.846 3.1-173.3 -95.8 99.1 30.5 31.2 14.1 11 12 A W - 0 0 0 30,-2.3 3,-0.2 -2,-1.0 -1,-0.1 0.633 23.5-163.5 -65.7 -16.4 28.9 27.7 13.8 12 13 A K - 0 0 37 29,-0.4 2,-1.3 1,-0.2 -1,-0.2 -0.258 55.1 -25.6 63.0-151.8 32.4 26.2 13.6 13 14 A C B S+I 321 0B 0 308,-2.0 308,-2.6 -3,-0.1 2,-0.3 -0.526 111.9 101.1 -99.0 64.8 32.7 22.6 12.3 14 15 A N + 0 0 46 -2,-1.3 2,-0.3 306,-0.2 29,-0.3 -0.987 40.0 83.4-137.9 160.2 29.2 21.6 13.3 15 16 A G - 0 0 31 -2,-0.3 2,-0.2 27,-0.1 3,-0.1 -0.990 37.2-137.0 147.1-174.0 25.9 21.1 11.8 16 17 A S > - 0 0 31 -2,-0.3 4,-2.3 1,-0.1 5,-0.3 -0.666 33.9-116.6 175.7 137.6 23.2 19.2 10.0 17 18 A Q H > S+ 0 0 65 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.973 116.5 48.6 -44.3 -56.1 20.7 20.2 7.3 18 19 A Q H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.938 115.5 39.2 -48.5 -71.2 17.9 19.5 9.8 19 20 A S H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.936 117.3 48.3 -46.0 -60.4 19.2 21.4 12.8 20 21 A L H X S+ 0 0 1 -4,-2.3 4,-3.5 1,-0.3 5,-0.2 0.916 107.6 55.4 -54.4 -47.0 20.6 24.4 11.0 21 22 A S H X S+ 0 0 19 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.3 0.857 110.0 48.2 -45.5 -47.0 17.3 24.8 8.9 22 23 A E H X S+ 0 0 101 -4,-1.8 4,-2.3 -3,-0.5 -1,-0.2 0.917 111.7 47.3 -66.8 -43.6 15.5 24.9 12.3 23 24 A L H X S+ 0 0 17 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.932 109.9 54.5 -61.3 -47.2 17.9 27.5 13.7 24 25 A I H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.3 5,-0.3 0.925 107.5 51.3 -51.1 -46.6 17.6 29.5 10.5 25 26 A D H X S+ 0 0 63 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.3 0.900 107.8 49.8 -61.2 -45.6 13.9 29.5 11.0 26 27 A L H >< S+ 0 0 58 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.968 112.9 50.0 -57.8 -45.4 14.2 30.7 14.6 27 28 A F H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.896 107.7 50.4 -59.3 -49.0 16.5 33.5 13.3 28 29 A N H 3< S+ 0 0 37 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.792 108.1 55.1 -58.4 -35.8 14.3 34.7 10.4 29 30 A S T << S+ 0 0 100 -4,-1.3 2,-0.4 -3,-0.5 -1,-0.3 0.477 85.6 114.1 -72.0 -13.1 11.4 34.9 12.9 30 31 A T < - 0 0 15 -3,-1.8 2,-0.7 -4,-0.3 -3,-0.0 -0.578 65.2-134.6 -73.1 134.8 13.4 37.2 15.1 31 32 A S + 0 0 82 -2,-0.4 2,-0.5 2,-0.0 -1,-0.1 -0.722 27.3 179.6 -83.7 110.6 12.2 40.8 15.7 32 33 A I + 0 0 7 -2,-0.7 4,-0.1 1,-0.1 214,-0.0 -0.956 9.8 169.3-122.3 111.7 15.3 43.0 15.4 33 34 A N + 0 0 147 -2,-0.5 2,-0.1 2,-0.1 -1,-0.1 0.652 51.8 67.2-104.0 -13.2 14.7 46.8 15.8 34 35 A H S S- 0 0 35 1,-0.1 2,-0.9 212,-0.0 215,-0.1 -0.493 92.8 -87.5-106.1 174.0 18.0 48.4 16.2 35 36 A D + 0 0 106 -2,-0.1 2,-0.3 213,-0.1 -1,-0.1 -0.718 68.7 135.2 -84.5 107.7 20.8 48.9 13.8 36 37 A V - 0 0 3 -2,-0.9 2,-0.6 -32,-0.2 -30,-0.2 -0.955 49.2-133.2-145.2 145.0 23.0 45.8 14.1 37 38 A Q E -a 6 0A 38 -32,-2.0 -30,-1.9 -2,-0.3 2,-0.4 -0.963 22.1-158.4-104.3 118.4 24.6 43.7 11.5 38 39 A C E -ac 7 59A 0 20,-2.5 22,-1.5 -2,-0.6 2,-0.4 -0.757 7.2-165.2 -97.5 134.5 24.1 39.9 12.1 39 40 A V E -ac 8 60A 1 -32,-2.7 -30,-2.5 -2,-0.4 2,-0.6 -0.978 10.7-160.8-126.4 130.3 26.4 37.5 10.5 40 41 A V E -ac 9 61A 0 20,-2.3 22,-2.5 -2,-0.4 2,-0.6 -0.963 5.5-169.2-115.3 116.9 26.1 33.7 10.1 41 42 A A E +ac 10 62A 2 -32,-3.0 -30,-2.3 -2,-0.6 -29,-0.4 -0.936 17.7 173.5-103.6 101.7 29.3 31.8 9.4 42 43 A S - 0 0 0 20,-1.2 22,-0.4 -2,-0.6 5,-0.1 -0.571 40.7 -80.5-101.6 167.4 28.5 28.2 8.3 43 44 A T - 0 0 3 -29,-0.3 4,-0.5 -2,-0.2 3,-0.2 -0.225 47.1-107.9 -57.2 166.9 30.7 25.4 7.1 44 45 A F S > S+ 0 0 11 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.875 121.0 55.2 -63.6 -35.7 31.6 25.6 3.4 45 46 A V T 3 S+ 0 0 3 1,-0.3 3,-0.4 2,-0.1 4,-0.4 0.824 106.8 48.5 -65.6 -39.7 29.2 22.7 2.7 46 47 A H T 3> S+ 0 0 0 -3,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.457 83.3 96.1 -76.3 -17.8 26.3 24.4 4.3 47 48 A L H <> S+ 0 0 0 -3,-0.8 4,-2.4 -4,-0.5 5,-0.2 0.881 81.9 50.7 -47.6 -42.5 26.7 27.8 2.5 48 49 A A H > S+ 0 0 27 -3,-0.4 4,-2.1 -4,-0.4 5,-0.2 0.993 112.5 44.8 -64.0 -55.9 24.2 27.0 -0.2 49 50 A M H > S+ 0 0 38 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.879 112.8 54.3 -43.5 -48.2 21.4 26.0 2.1 50 51 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.963 107.8 46.6 -63.6 -46.2 22.2 29.0 4.3 51 52 A K H < S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.0 49.7 -58.3 -51.9 21.9 31.6 1.6 52 53 A E H < S+ 0 0 170 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.950 119.1 37.6 -57.1 -44.6 18.6 30.2 0.2 53 54 A R H < S+ 0 0 106 -4,-2.2 2,-0.7 -5,-0.2 -2,-0.2 0.745 92.2 86.0 -79.1 -41.1 17.0 30.0 3.7 54 55 A L < + 0 0 22 -4,-2.5 7,-0.1 -5,-0.2 -29,-0.1 -0.664 41.3 158.1 -72.0 113.9 18.1 33.1 5.6 55 56 A S + 0 0 89 -2,-0.7 -1,-0.2 -31,-0.2 -2,-0.0 0.482 27.7 124.3-111.3 -11.7 15.7 35.8 4.6 56 57 A H > - 0 0 26 1,-0.2 3,-0.6 -3,-0.1 -28,-0.1 -0.267 58.2-141.8 -56.6 135.4 16.2 38.1 7.5 57 58 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.677 98.6 54.0 -73.7 -21.0 17.2 41.5 6.3 58 59 A K T 3 S+ 0 0 56 -21,-0.1 -20,-2.5 -23,-0.0 2,-0.3 0.601 96.3 83.6 -93.3 2.6 19.6 42.1 9.1 59 60 A F E < +c 38 0A 17 -3,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.711 49.6 178.0-108.0 143.6 21.6 38.9 8.4 60 61 A V E -c 39 0A 45 -22,-1.5 -20,-2.3 -2,-0.3 2,-0.3 -0.953 29.1-113.2-131.7 161.6 24.4 38.2 5.9 61 62 A I E -c 40 0A 18 -2,-0.3 27,-0.7 -22,-0.2 28,-0.7 -0.664 29.9-175.8-105.0 145.3 26.4 35.0 5.3 62 63 A A E -cd 41 89A 0 -22,-2.5 -20,-1.2 -2,-0.3 28,-0.3 -0.932 18.9-131.6-133.1 152.6 30.0 34.5 5.9 63 64 A A E - d 0 90A 0 26,-2.1 28,-1.7 -2,-0.3 -20,-0.1 -0.691 18.1-129.8-102.5 160.5 32.6 31.8 5.4 64 65 A Q S S- 0 0 4 -22,-0.4 2,-0.3 -2,-0.2 30,-0.2 0.321 78.2 -20.3 -93.7 2.0 35.0 30.5 8.1 65 66 A N - 0 0 3 27,-0.1 2,-0.3 260,-0.1 -1,-0.2 -0.896 55.6-171.5 169.6 166.2 38.2 30.7 6.0 66 67 A A - 0 0 1 -2,-0.3 2,-0.3 -3,-0.1 12,-0.3 -0.964 24.8-120.1-166.5 163.3 39.7 30.9 2.6 67 68 A I B -j 78 0C 16 10,-1.6 12,-2.2 -2,-0.3 -2,-0.0 -0.792 34.9-119.2 -99.4 152.1 42.9 30.8 0.6 68 69 A A S S+ 0 0 32 -2,-0.3 2,-0.3 10,-0.2 10,-0.1 0.784 85.4 23.5 -63.7 -32.5 43.8 33.8 -1.4 69 70 A K S S- 0 0 142 10,-0.1 -1,-0.1 9,-0.1 194,-0.0 -0.988 76.8-111.8-139.2 148.4 43.9 32.3 -5.1 70 71 A S + 0 0 42 -2,-0.3 2,-0.3 8,-0.1 194,-0.2 -0.238 62.1 91.8 -75.5 174.0 42.5 29.4 -6.9 71 72 A G B S-K 263 0D 17 192,-2.4 2,-2.0 2,-0.1 192,-1.6 -0.946 81.4 -10.9 143.0-162.7 44.8 26.6 -8.1 72 73 A A S S+ 0 0 43 -2,-0.3 2,-0.3 190,-0.2 190,-0.1 -0.484 80.8 124.0 -74.3 78.5 46.2 23.2 -7.1 73 74 A F > - 0 0 57 -2,-2.0 3,-1.9 3,-0.1 -1,-0.1 -0.739 51.1-151.1-139.1 72.0 45.2 23.2 -3.4 74 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.2 189,-0.0 -0.240 77.7 14.6 -53.0 139.2 43.2 20.1 -2.8 75 76 A G T 3 S+ 0 0 7 1,-0.2 -1,-0.2 187,-0.1 2,-0.2 0.190 104.7 110.5 87.5 -13.8 40.6 20.4 0.0 76 77 A E < - 0 0 9 -3,-1.9 2,-0.4 238,-0.1 -1,-0.2 -0.509 56.7-145.7 -95.5 156.5 40.8 24.2 0.1 77 78 A V - 0 0 0 -2,-0.2 -10,-1.6 -3,-0.1 2,-0.2 -0.993 18.4-152.2-123.0 132.8 38.4 26.9 -0.9 78 79 A S B > -j 67 0C 0 -2,-0.4 4,-1.7 -12,-0.3 -10,-0.2 -0.485 25.9-107.5 -99.8 167.0 39.7 30.2 -2.3 79 80 A L H > S+ 0 0 5 -12,-2.2 4,-2.8 1,-0.2 5,-0.1 0.925 115.4 52.5 -59.6 -49.6 38.4 33.8 -2.4 80 81 A P H > S+ 0 0 57 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.941 106.8 53.5 -51.2 -47.4 37.4 33.9 -6.0 81 82 A I H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.909 113.1 44.9 -51.2 -44.2 35.3 30.7 -5.6 82 83 A L H <>S+ 0 0 0 -4,-1.7 5,-2.5 2,-0.2 -1,-0.2 0.899 111.3 52.3 -69.1 -42.0 33.6 32.5 -2.7 83 84 A K H ><5S+ 0 0 105 -4,-2.8 3,-2.5 1,-0.2 -2,-0.2 0.965 109.1 48.0 -59.7 -56.3 33.1 35.8 -4.6 84 85 A D H 3<5S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.3 60.1 -50.7 -36.3 31.5 34.1 -7.6 85 86 A F T 3<5S- 0 0 9 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.267 118.8-109.9 -77.2 4.6 29.3 32.3 -5.0 86 87 A G T < 5S+ 0 0 56 -3,-2.5 2,-0.4 1,-0.3 -3,-0.2 0.682 72.3 138.2 76.7 12.2 27.8 35.5 -3.7 87 88 A V < + 0 0 2 -5,-2.5 -1,-0.3 -6,-0.1 -25,-0.1 -0.836 18.3 165.3 -93.8 134.6 29.7 35.3 -0.3 88 89 A N + 0 0 64 -27,-0.7 33,-3.0 -2,-0.4 2,-0.4 0.293 52.2 73.8-127.5 -3.1 31.1 38.7 0.8 89 90 A W E +de 62 121A 16 -28,-0.7 -26,-2.1 31,-0.2 2,-0.3 -0.967 55.5 179.1-115.2 144.3 31.9 38.1 4.6 90 91 A I E -de 63 122A 0 31,-1.8 33,-3.1 -2,-0.4 2,-0.6 -0.981 24.8-143.3-143.7 145.4 34.8 36.1 5.9 91 92 A V E - e 0 123A 2 -28,-1.7 2,-0.4 -2,-0.3 33,-0.2 -0.942 30.8-178.3-103.8 124.7 36.4 35.0 9.2 92 93 A L E + e 0 124A 2 31,-2.6 33,-2.0 -2,-0.6 -27,-0.1 -0.994 51.4 13.8-127.3 146.2 40.1 35.0 9.0 93 94 A G S S+ 0 0 1 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 0.701 70.8 176.8 75.5 22.0 42.8 34.1 11.5 94 95 A H >> - 0 0 6 -30,-0.2 4,-2.4 1,-0.1 3,-1.3 -0.255 39.2-116.7 -60.2 145.9 40.7 32.4 14.0 95 96 A S H 3> S+ 0 0 22 1,-0.3 4,-1.8 2,-0.2 5,-0.3 0.794 113.6 59.3 -57.6 -35.5 42.7 30.9 16.9 96 97 A E H 3> S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.820 111.4 43.2 -62.7 -26.4 41.6 27.4 16.2 97 98 A R H <> S+ 0 0 1 -3,-1.3 4,-2.3 2,-0.2 6,-1.2 0.881 110.1 54.5 -81.3 -44.1 43.3 27.9 12.8 98 99 A R H < S+ 0 0 43 -4,-2.4 4,-0.2 4,-0.2 -2,-0.2 0.796 117.6 38.7 -49.9 -37.7 46.3 29.6 14.3 99 100 A A H < S+ 0 0 72 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.926 128.5 23.5 -84.0 -61.8 46.8 26.6 16.6 100 101 A Y H < S+ 0 0 142 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.753 123.6 46.4 -80.1 -25.6 46.0 23.5 14.5 101 102 A Y S < S- 0 0 51 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.1 0.122 103.8-105.5-118.1 19.3 46.6 24.7 11.0 102 103 A G + 0 0 49 -3,-0.3 2,-1.2 1,-0.2 -4,-0.2 0.636 56.8 160.9 74.9 16.4 49.8 26.6 10.7 103 104 A E - 0 0 10 -6,-1.2 -1,-0.2 -9,-0.1 -2,-0.1 -0.569 15.6-176.3 -74.7 91.1 48.3 30.1 10.5 104 105 A T > - 0 0 60 -2,-1.2 4,-1.9 1,-0.1 5,-0.2 -0.237 45.4 -96.1 -77.7 177.5 51.2 32.5 11.5 105 106 A N H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.888 127.1 53.2 -63.0 -36.2 50.8 36.3 11.8 106 107 A E H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 105.9 48.1 -62.5 -54.1 52.1 36.5 8.3 107 108 A I H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.825 113.2 51.4 -56.8 -39.9 49.6 34.0 6.6 108 109 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.914 108.3 49.5 -63.0 -48.7 46.8 35.8 8.3 109 110 A A H X S+ 0 0 2 -4,-1.9 4,-3.3 1,-0.2 -2,-0.2 0.904 111.9 49.3 -56.2 -50.7 47.9 39.3 7.1 110 111 A D H X S+ 0 0 80 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.868 111.9 48.1 -52.1 -49.7 48.2 38.0 3.5 111 112 A K H X S+ 0 0 18 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 114.5 46.6 -67.4 -39.1 44.7 36.4 3.6 112 113 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.950 113.2 46.3 -66.8 -56.0 43.3 39.5 5.0 113 114 A A H X S+ 0 0 21 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.897 112.4 53.3 -51.6 -43.5 44.9 41.8 2.6 114 115 A A H X S+ 0 0 20 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.934 111.5 45.7 -57.9 -46.1 43.9 39.3 -0.2 115 116 A A H <>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 -2,-0.2 0.918 111.1 50.2 -63.6 -52.9 40.2 39.5 1.0 116 117 A V H ><5S+ 0 0 7 -4,-2.9 3,-1.9 3,-0.2 -1,-0.2 0.956 109.5 53.5 -52.3 -45.5 40.1 43.3 1.4 117 118 A A H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.938 108.4 49.0 -53.9 -50.1 41.6 43.6 -2.2 118 119 A S T 3<5S- 0 0 39 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.210 124.2 -99.6 -76.0 10.8 38.8 41.3 -3.6 119 120 A G T < 5S+ 0 0 22 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.455 71.2 143.7 91.2 -9.1 36.0 43.3 -1.9 120 121 A F < - 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0 0 5 -40,-3.9 2,-1.8 -2,-0.7 3,-0.2 -0.896 12.8-148.4-101.3 116.0 39.8 36.2 21.2 167 168 A P >> + 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.592 25.4 173.0 -77.8 75.3 40.9 35.7 24.9 168 169 A V G >4 S+ 0 0 33 -2,-1.8 3,-1.5 -40,-0.5 -39,-0.2 0.867 71.6 64.4 -57.6 -35.5 42.7 32.4 24.2 169 170 A W G 34 S+ 0 0 8 -41,-1.5 6,-0.4 1,-0.3 -1,-0.3 0.670 106.3 45.1 -53.5 -26.9 44.0 32.2 27.7 170 171 A A G <4 S+ 0 0 18 -3,-2.3 2,-0.8 4,-0.1 -1,-0.3 0.423 91.2 97.6-100.8 -4.3 40.4 31.9 28.8 171 172 A I S << S- 0 0 68 -3,-1.5 -41,-0.1 -4,-0.5 5,-0.1 -0.820 109.7 -25.9 -94.5 116.4 39.4 29.4 26.3 172 173 A G S S+ 0 0 87 -2,-0.8 -1,-0.2 3,-0.1 -2,-0.1 0.598 112.5 102.1 64.8 16.7 39.4 25.8 27.6 173 174 A T S S- 0 0 43 2,-0.2 -2,-0.1 -3,-0.1 3,-0.1 0.468 94.1-112.9-105.9 -9.4 42.1 26.6 30.2 174 175 A G S S+ 0 0 73 1,-0.3 -4,-0.1 -4,-0.3 2,-0.1 0.256 78.3 120.0 98.5 -19.5 39.8 26.8 33.2 175 176 A K - 0 0 116 -6,-0.4 2,-0.4 1,-0.0 -1,-0.3 -0.269 56.5-130.6 -74.3 164.2 40.2 30.6 33.7 176 177 A V - 0 0 115 -3,-0.1 2,-0.5 -2,-0.1 -5,-0.1 -0.973 6.7-147.0-121.2 126.5 37.4 33.3 33.6 177 178 A A - 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0 0 66 247,-0.2 202,-0.1 202,-0.0 204,-0.1 -0.911 360.0 -93.2-124.6 152.2 41.1 -6.4 -13.8 253 4 B P - 0 0 21 0, 0.0 201,-0.1 0, 0.0 202,-0.1 -0.302 62.4 -73.2 -61.1 160.7 39.0 -4.8 -11.0 254 5 B Q - 0 0 50 1,-0.1 32,-0.2 200,-0.1 245,-0.1 -0.306 60.6-124.2 -59.2 126.6 36.6 -2.2 -12.3 255 6 B P - 0 0 2 0, 0.0 32,-1.8 0, 0.0 2,-0.3 -0.268 16.4-141.4 -66.7 167.8 38.6 0.9 -13.2 256 7 B I E -lm 287 479E 0 222,-1.7 224,-1.3 30,-0.2 2,-0.5 -0.971 11.2-168.0-129.5 136.4 38.1 4.4 -11.9 257 8 B A E -lm 288 480E 0 30,-1.3 32,-2.0 -2,-0.3 2,-0.5 -0.973 23.0-172.1-120.5 105.5 38.4 7.9 -13.7 258 9 B A E -lm 289 481E 4 222,-3.0 224,-3.1 -2,-0.5 2,-0.8 -0.911 17.0-148.9-109.4 123.0 38.4 10.5 -11.0 259 10 B A E -lm 290 482E 1 30,-3.5 32,-2.7 -2,-0.5 2,-0.9 -0.844 9.2-166.1 -91.3 112.6 38.2 14.1 -11.6 260 11 B N E +l 291 0E 1 222,-2.5 226,-0.2 -2,-0.8 32,-0.1 -0.784 8.6 179.8 -99.1 99.0 40.0 16.1 -9.0 261 12 B W - 0 0 2 30,-1.7 -1,-0.2 -2,-0.9 31,-0.1 0.753 18.8-173.8 -70.1 -18.0 38.9 19.7 -9.4 262 13 B K - 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0 0 26 -3,-0.9 2,-0.5 -4,-0.6 -3,-0.0 -0.531 64.4-146.3 -75.4 138.3 28.4 11.3 -22.6 281 32 B S - 0 0 104 -2,-0.2 2,-0.5 25,-0.0 -2,-0.1 -0.897 9.8-166.0-109.9 135.2 27.5 7.7 -22.9 282 33 B I - 0 0 17 -2,-0.5 4,-0.1 1,-0.1 214,-0.0 -0.979 10.4-176.8-126.7 119.0 29.7 5.0 -21.4 283 34 B N + 0 0 156 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.696 59.6 75.4 -83.8 -20.9 29.2 1.5 -22.5 284 35 B H S S- 0 0 30 214,-0.1 2,-0.6 1,-0.1 214,-0.0 -0.563 92.0 -93.0 -98.3 157.1 31.9 -0.2 -20.2 285 36 B D + 0 0 108 -2,-0.2 2,-0.3 214,-0.1 -1,-0.1 -0.629 69.4 137.8 -71.7 108.9 32.0 -1.0 -16.4 286 37 B V - 0 0 2 -2,-0.6 2,-0.6 -32,-0.2 -30,-0.2 -0.944 46.9-140.4-152.6 138.4 33.7 2.1 -15.0 287 38 B Q E -l 256 0E 41 -32,-1.8 -30,-1.3 -2,-0.3 2,-0.4 -0.955 19.8-160.8-110.0 111.2 33.1 4.2 -11.9 288 39 B C E -ln 257 309E 0 20,-3.4 22,-1.5 -2,-0.6 2,-0.4 -0.787 5.4-163.2 -93.0 143.6 33.6 7.9 -12.6 289 40 B V E -ln 258 310E 2 -32,-2.0 -30,-3.5 -2,-0.4 2,-0.5 -0.983 9.7-160.8-127.5 132.7 34.2 10.3 -9.6 290 41 B V E -ln 259 311E 1 20,-3.0 22,-2.5 -2,-0.4 2,-0.7 -0.972 6.8-170.0-114.2 119.3 33.9 14.1 -9.4 291 42 B A E +ln 260 312E 2 -32,-2.7 -30,-1.7 -2,-0.5 -29,-0.5 -0.846 19.2 169.2-104.9 100.1 35.7 15.7 -6.5 292 43 B S - 0 0 0 20,-1.0 22,-0.5 -2,-0.7 5,-0.1 -0.566 41.4 -73.6-110.0-179.3 34.7 19.3 -6.3 293 44 B T > - 0 0 1 -29,-0.4 3,-0.7 -2,-0.2 4,-0.3 -0.141 45.0-114.3 -61.9 152.0 35.2 22.1 -3.8 294 45 B F G > S+ 0 0 12 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.875 118.8 57.7 -49.2 -38.3 33.0 21.8 -0.6 295 46 B V G 3 S+ 0 0 3 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.832 106.9 45.0 -64.1 -34.6 31.3 24.9 -1.8 296 47 B H G <> S+ 0 0 0 -3,-0.7 4,-2.1 1,-0.2 -1,-0.3 0.251 82.9 97.3 -92.8 2.1 30.2 23.3 -5.1 297 48 B L H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.3 5,-0.2 0.897 84.6 52.1 -60.8 -36.9 29.0 20.0 -3.6 298 49 B A H > S+ 0 0 23 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.935 111.0 43.4 -60.0 -59.5 25.5 21.3 -3.6 299 50 B M H > S+ 0 0 17 -4,-0.3 4,-1.6 2,-0.2 5,-0.2 0.853 116.0 50.5 -55.9 -38.8 25.5 22.4 -7.2 300 51 B T H X S+ 0 0 1 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.951 109.1 48.5 -68.4 -45.4 27.2 19.1 -8.2 301 52 B K H < S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.1 45.6 -67.2 -29.4 24.8 16.8 -6.4 302 53 B E H < S+ 0 0 167 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.829 123.3 32.5 -82.9 -35.1 21.7 18.6 -7.9 303 54 B R H < S+ 0 0 99 -4,-1.6 2,-0.4 -5,-0.2 -2,-0.2 0.791 93.1 88.3 -99.0 -36.8 22.9 18.8 -11.4 304 55 B L < + 0 0 23 -4,-3.1 -29,-0.1 -5,-0.2 7,-0.1 -0.566 44.8 160.8 -69.9 116.0 25.1 15.7 -12.0 305 56 B S + 0 0 91 -2,-0.4 -1,-0.2 -31,-0.3 -4,-0.0 0.542 24.6 121.0-116.5 -17.5 22.7 13.0 -13.2 306 57 B H > - 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