==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)08-OCT-93 1TRI . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR R.K.WIERENGA . 239 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 16.3 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 . 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 . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 2 1 2 0 0 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 1 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 . 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 1 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 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.9 13.6 -6.0 34.0 2 3 A K - 0 0 68 1,-0.1 193,-0.1 216,-0.0 195,-0.1 -0.616 360.0-121.8 -82.5 134.1 15.1 -4.9 30.7 3 4 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 192,-0.1 -0.075 57.4 -60.5 -58.6 165.0 15.0 -7.0 27.6 4 5 A Q - 0 0 55 1,-0.1 30,-0.1 191,-0.1 215,-0.1 -0.392 63.3-124.2 -57.9 126.5 18.4 -7.9 26.1 5 6 A P - 0 0 10 0, 0.0 30,-1.7 0, 0.0 2,-0.4 -0.167 17.3-149.5 -70.6 159.3 20.2 -4.8 25.0 6 7 A I E -ab 35 220A 0 213,-1.5 215,-1.2 28,-0.2 2,-0.5 -0.992 7.6-166.2-128.7 131.3 21.5 -4.0 21.5 7 8 A A E -ab 36 221A 0 28,-1.8 30,-1.8 -2,-0.4 2,-0.4 -0.946 19.1-167.2-120.6 103.7 24.6 -1.9 20.6 8 9 A A E -ab 37 222A 0 213,-3.3 215,-3.9 -2,-0.5 2,-0.6 -0.827 15.0-149.4 -99.1 133.7 24.4 -1.1 16.8 9 10 A A E -ab 38 223A 0 28,-2.9 30,-2.6 -2,-0.4 2,-1.0 -0.851 11.6-157.7 -95.4 119.7 27.3 0.4 14.7 10 11 A N E a 39 0A 34 213,-5.4 217,-0.2 -2,-0.6 30,-0.2 -0.809 360.0 360.0-101.3 95.0 25.9 2.5 12.1 11 12 A W 0 0 48 28,-2.9 30,-0.3 -2,-1.0 213,-0.1 -0.473 360.0 360.0 -72.8 360.0 28.5 2.6 9.3 12 ! 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 13 16 A G 0 0 81 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-147.7 35.6 4.4 5.4 14 17 A S > - 0 0 52 1,-0.1 4,-2.1 4,-0.0 5,-0.3 -0.575 360.0-123.7 -74.2 156.6 38.5 2.5 3.9 15 18 A Q H > S+ 0 0 78 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.958 113.9 58.0 -59.2 -47.5 38.3 -1.2 3.9 16 19 A Q H > S+ 0 0 156 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.898 107.4 43.8 -45.2 -58.9 41.6 -1.1 5.8 17 20 A S H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.870 114.3 49.3 -57.8 -44.9 40.2 1.0 8.7 18 21 A L H X S+ 0 0 3 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.892 109.9 54.8 -63.7 -38.2 37.0 -1.1 8.9 19 22 A S H X S+ 0 0 19 -4,-3.5 4,-2.5 1,-0.3 -2,-0.2 0.904 103.8 51.2 -66.4 -36.3 39.2 -4.2 8.9 20 23 A E H X S+ 0 0 135 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.3 0.888 111.6 51.0 -68.4 -29.5 41.2 -3.0 11.8 21 24 A L H X S+ 0 0 16 -4,-1.6 4,-4.1 2,-0.2 -2,-0.2 0.961 107.9 49.0 -67.9 -50.6 37.9 -2.4 13.5 22 25 A I H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 31,-0.2 0.913 111.7 52.4 -55.6 -36.1 36.5 -5.8 12.8 23 26 A D H X S+ 0 0 68 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.906 110.5 46.8 -65.8 -43.7 39.9 -7.1 14.1 24 27 A L H >< S+ 0 0 50 -4,-2.3 3,-1.3 2,-0.2 4,-0.4 0.963 114.2 47.3 -59.8 -53.8 39.4 -5.1 17.2 25 28 A F H >< S+ 0 0 1 -4,-4.1 3,-2.2 1,-0.3 -2,-0.2 0.918 108.6 55.0 -54.4 -48.5 35.8 -6.3 17.6 26 29 A N H 3< S+ 0 0 50 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.645 106.3 52.6 -58.1 -22.8 36.7 -9.9 17.0 27 30 A S T << S+ 0 0 90 -3,-1.3 -1,-0.3 -4,-0.7 2,-0.3 0.477 87.5 112.3 -97.5 3.1 39.2 -9.8 19.7 28 31 A T < - 0 0 19 -3,-2.2 2,-0.6 -4,-0.4 -3,-0.0 -0.524 60.1-139.0 -86.9 140.7 36.9 -8.4 22.3 29 32 A S - 0 0 88 -2,-0.3 2,-0.5 2,-0.0 -2,-0.1 -0.868 17.8-170.2 -96.5 125.1 35.7 -10.2 25.3 30 33 A I - 0 0 12 -2,-0.6 2,-0.2 1,-0.0 4,-0.1 -0.917 5.0-172.8-116.9 99.0 31.9 -9.6 26.0 31 34 A N + 0 0 145 -2,-0.5 2,-0.3 2,-0.1 -1,-0.0 0.079 58.9 52.2 -87.3 30.7 30.9 -10.9 29.3 32 35 A H S S- 0 0 31 -2,-0.2 2,-0.5 2,-0.1 208,-0.0 -0.977 91.2 -84.0-156.5 165.5 27.2 -10.3 29.1 33 36 A D + 0 0 104 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.604 68.2 129.8 -75.0 116.3 24.1 -10.9 27.1 34 37 A V - 0 0 3 -2,-0.5 2,-0.6 -30,-0.1 -28,-0.2 -0.953 50.2-130.0-163.9 153.9 24.0 -8.2 24.5 35 38 A Q E -a 6 0A 39 -30,-1.7 -28,-1.8 -2,-0.3 2,-0.3 -0.961 19.3-159.3-122.7 117.1 23.5 -8.3 20.9 36 39 A C E -ac 7 57A 0 20,-3.0 22,-1.4 -2,-0.6 2,-0.4 -0.704 8.4-170.1 -95.6 146.7 25.9 -6.4 18.7 37 40 A V E -ac 8 58A 0 -30,-1.8 -28,-2.9 -2,-0.3 2,-0.5 -0.998 15.7-155.7-137.0 143.2 25.1 -5.3 15.2 38 41 A V E -ac 9 59A 1 20,-2.7 22,-1.6 -2,-0.4 2,-0.4 -0.913 15.3-168.9-123.0 96.4 27.2 -3.9 12.3 39 42 A A E +ac 10 60A 0 -30,-2.6 -28,-2.9 -2,-0.5 2,-0.3 -0.686 20.3 155.8 -83.8 132.7 25.0 -2.0 9.9 40 43 A S E - c 0 61A 2 20,-1.7 22,-0.7 -2,-0.4 5,-0.1 -0.969 44.8 -79.5-152.9 167.6 26.7 -1.0 6.7 41 44 A T > - 0 0 66 -30,-0.3 3,-1.6 -2,-0.3 4,-0.1 -0.325 50.6-107.4 -67.3 157.7 26.3 -0.1 3.0 42 45 A F G > S+ 0 0 102 1,-0.3 3,-2.7 2,-0.2 4,-0.4 0.874 113.5 63.3 -48.8 -51.9 25.7 -2.9 0.7 43 46 A V G 3 S+ 0 0 112 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.643 101.5 51.6 -53.2 -24.8 29.1 -2.8 -0.9 44 47 A H G <> S+ 0 0 32 -3,-1.6 4,-2.2 1,-0.1 5,-0.3 0.285 84.3 94.5 -96.7 4.9 30.8 -3.6 2.4 45 48 A L H <> S+ 0 0 5 -3,-2.7 4,-1.9 2,-0.2 5,-0.3 0.938 78.1 52.3 -69.1 -43.2 28.7 -6.6 3.0 46 49 A A H > S+ 0 0 48 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.966 115.5 42.9 -56.1 -45.8 30.9 -9.3 1.5 47 50 A M H > S+ 0 0 35 -4,-0.3 4,-2.8 2,-0.2 5,-0.3 0.930 113.5 46.0 -63.5 -56.6 33.8 -8.1 3.5 48 51 A T H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.863 115.5 50.1 -58.0 -37.8 32.2 -7.5 6.9 49 52 A K H < S+ 0 0 76 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.820 111.8 47.5 -67.2 -36.4 30.5 -10.8 6.5 50 53 A E H < S+ 0 0 150 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.920 123.6 31.6 -76.8 -31.5 33.8 -12.5 5.6 51 54 A R H < S+ 0 0 110 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.876 89.5 95.9 -92.2 -41.1 35.7 -11.0 8.5 52 55 A L < + 0 0 25 -4,-3.1 -29,-0.1 -5,-0.3 7,-0.1 -0.341 39.1 159.1 -55.8 124.0 33.3 -10.5 11.4 53 56 A S + 0 0 98 -31,-0.2 -1,-0.2 -2,-0.1 -30,-0.0 0.588 23.0 123.6-122.1 -18.1 33.7 -13.5 13.6 54 57 A H > - 0 0 21 -32,-0.2 3,-2.1 1,-0.1 -28,-0.1 -0.199 57.4-140.1 -54.4 124.1 32.4 -12.5 16.9 55 58 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.833 101.3 50.1 -51.9 -39.1 29.6 -14.8 18.2 56 59 A K T 3 S+ 0 0 57 -21,-0.1 -20,-3.0 2,-0.0 2,-0.4 0.228 96.7 88.6 -84.2 8.0 27.7 -11.7 19.6 57 60 A F E < -c 36 0A 15 -3,-2.1 2,-0.3 -22,-0.2 -20,-0.2 -0.870 49.9-178.2-112.5 150.7 27.8 -9.7 16.5 58 61 A V E -c 37 0A 41 -22,-1.4 -20,-2.7 -2,-0.4 2,-0.4 -0.875 19.1-131.0-134.3 163.5 25.4 -9.6 13.5 59 62 A I E +c 38 0A 22 -2,-0.3 20,-0.6 -22,-0.2 21,-0.4 -0.870 24.8 174.7-117.1 154.1 25.5 -7.7 10.4 60 63 A A E -c 39 0A 0 -22,-1.6 -20,-1.7 -2,-0.4 21,-0.3 -0.954 22.6-124.0-150.8 158.1 22.7 -5.8 8.8 61 64 A A E -cd 40 81A 0 19,-2.2 21,-1.7 -2,-0.3 2,-0.4 -0.481 24.4-118.9 -99.9 176.2 22.1 -3.5 5.9 62 65 A Q E S- d 0 82A 34 -22,-0.7 21,-0.2 19,-0.2 -20,-0.1 -0.898 77.5 -12.8-113.4 146.1 20.8 -0.1 5.8 63 66 A N S S+ 0 0 51 19,-2.9 2,-0.3 -2,-0.4 20,-0.1 0.617 72.5 177.3 40.7 29.2 17.7 1.2 4.1 64 67 A A + 0 0 6 18,-0.2 -1,-0.2 1,-0.1 42,-0.1 -0.401 7.6 163.5 -66.0 122.8 16.9 -1.9 2.0 65 68 A G + 0 0 29 -2,-0.3 -1,-0.1 40,-0.0 5,-0.1 0.859 30.7 70.3-101.5 -89.9 13.6 -1.4 0.1 66 69 A N S > S- 0 0 101 1,-0.1 4,-2.1 3,-0.1 5,-0.2 0.073 78.2-111.3 -38.7 148.3 12.3 -3.3 -2.9 67 70 A A H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.817 118.8 53.5 -49.2 -38.3 11.0 -6.9 -2.7 68 71 A D H >> S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.954 104.8 49.0 -66.6 -50.9 14.0 -7.8 -4.8 69 72 A A H 3> S+ 0 0 30 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.857 110.5 54.5 -49.0 -46.2 16.8 -6.3 -2.6 70 80 A L H 3X S+ 0 0 4 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.849 106.0 51.1 -63.6 -37.0 15.2 -7.9 0.2 71 81 A A H X>S+ 0 0 11 -4,-2.5 5,-3.7 1,-0.3 3,-0.7 0.850 110.7 47.8 -63.5 -31.8 20.0 -9.9 1.1 74 84 A K H ><5S+ 0 0 62 -4,-1.1 3,-0.9 1,-0.2 -1,-0.3 0.938 110.7 48.9 -69.2 -49.6 18.3 -12.8 2.4 75 85 A D T 3<5S+ 0 0 145 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.171 109.9 56.0 -71.5 11.1 20.0 -15.0 -0.1 76 86 A F T <45S- 0 0 77 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.416 122.8 -98.1-123.5 -5.1 23.3 -13.4 1.0 77 87 A G T <<5S+ 0 0 41 -3,-0.9 2,-0.6 -4,-0.5 -3,-0.2 0.699 76.4 140.4 97.1 17.5 23.0 -14.2 4.5 78 88 A V < + 0 0 0 -5,-3.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.841 14.9 163.7 -99.2 126.2 21.7 -10.9 5.7 79 89 A N + 0 0 71 -20,-0.6 33,-2.1 -2,-0.6 2,-0.3 0.404 51.3 65.4-113.8 -4.5 19.1 -11.0 8.3 80 90 A W E - e 0 112A 18 -21,-0.4 -19,-2.2 31,-0.2 2,-0.3 -0.982 52.8-168.9-127.9 150.2 19.0 -7.5 9.9 81 91 A I E -de 61 113A 0 31,-2.2 33,-3.4 -2,-0.3 2,-0.5 -0.919 12.7-157.6-140.7 150.3 18.0 -4.0 8.7 82 92 A V E -de 62 114A 5 -21,-1.7 -19,-2.9 -2,-0.3 2,-0.6 -0.997 9.6-163.9-131.5 119.0 18.2 -0.5 9.8 83 93 A L E - e 0 115A 5 31,-3.1 33,-3.6 -2,-0.5 2,-2.0 -0.949 7.3-156.8-106.7 107.4 15.8 2.0 8.4 84 94 A G E > + e 0 116A 10 -2,-0.6 4,-1.3 1,-0.2 3,-0.2 -0.504 35.2 149.8 -84.0 69.8 16.9 5.6 9.0 85 95 A H H > + 0 0 1 -2,-2.0 4,-2.9 31,-0.5 5,-0.3 0.905 61.2 63.5 -66.9 -48.0 13.5 7.2 8.7 86 96 A S H > S+ 0 0 0 30,-1.5 4,-1.4 -3,-0.3 -1,-0.2 0.789 108.9 41.2 -49.1 -32.9 14.1 10.1 11.1 87 97 A E H > S+ 0 0 52 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.871 114.4 49.9 -83.3 -42.5 16.8 11.5 8.8 88 98 A R H X S+ 0 0 75 -4,-1.3 6,-1.7 2,-0.2 4,-1.5 0.826 111.6 50.3 -61.6 -37.5 15.0 10.9 5.5 89 99 A R H X S+ 0 0 50 -4,-2.9 4,-1.7 4,-0.3 -2,-0.2 0.975 114.2 44.1 -67.0 -55.1 11.9 12.4 6.8 90 100 A A H < S+ 0 0 34 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.798 125.2 28.9 -59.0 -42.1 13.8 15.5 8.0 91 101 A Y H < S+ 0 0 120 -4,-2.9 -3,-0.2 1,-0.1 -1,-0.2 0.924 135.7 21.1 -91.8 -43.6 15.9 16.1 5.0 92 102 A Y H < S- 0 0 184 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.2 0.363 98.2-115.6-105.5 -1.6 14.0 14.8 2.1 93 103 A G < + 0 0 56 -4,-1.7 -4,-0.3 -5,-0.3 2,-0.2 0.812 45.9 178.3 65.1 39.5 10.4 14.8 3.4 94 104 A E - 0 0 29 -6,-1.7 -1,-0.2 -9,-0.2 2,-0.1 -0.495 29.0-114.0 -70.3 134.1 10.0 10.9 3.3 95 105 A T > - 0 0 56 -2,-0.2 4,-1.4 1,-0.1 3,-0.4 -0.395 4.6-128.7 -76.6 154.5 6.6 9.9 4.6 96 106 A N H > S+ 0 0 18 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.784 109.9 65.8 -63.4 -24.1 5.8 8.0 7.6 97 107 A E H > S+ 0 0 108 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.916 100.1 49.7 -64.5 -44.2 3.7 5.9 5.2 98 108 A I H > S+ 0 0 68 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.857 106.5 50.3 -66.1 -44.5 6.7 4.6 3.4 99 109 A V H X S+ 0 0 1 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.852 109.6 56.1 -65.1 -27.8 8.9 3.5 6.3 100 110 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.2 -2,-0.2 0.882 104.9 48.3 -69.1 -37.1 5.8 1.6 7.5 101 111 A D H X S+ 0 0 86 -4,-1.3 4,-3.2 2,-0.2 -1,-0.2 0.884 113.1 53.6 -68.1 -32.8 5.4 -0.4 4.3 102 112 A K H X S+ 0 0 40 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.934 109.3 42.4 -65.7 -54.3 9.1 -1.1 4.6 103 113 A V H X S+ 0 0 1 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.931 115.5 52.4 -57.4 -46.4 9.1 -2.4 8.1 104 114 A A H X S+ 0 0 24 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.949 111.0 46.9 -54.3 -52.6 6.1 -4.4 7.2 105 115 A A H X S+ 0 0 42 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.772 115.1 43.9 -60.1 -41.0 7.8 -5.8 4.1 106 116 A A H <>S+ 0 0 2 -4,-2.4 5,-2.6 2,-0.2 4,-0.5 0.901 109.3 55.7 -74.9 -40.6 11.0 -6.8 5.8 107 117 A V H ><5S+ 0 0 10 -4,-3.3 3,-0.8 -5,-0.3 -2,-0.2 0.888 107.5 51.2 -54.6 -38.7 9.3 -8.2 8.8 108 118 A A H 3<5S+ 0 0 87 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.762 106.8 53.8 -67.8 -31.6 7.3 -10.5 6.4 109 119 A S T 3<5S- 0 0 59 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.488 124.3-106.5 -83.3 -2.0 10.6 -11.6 4.8 110 120 A G T < 5 + 0 0 29 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.2 0.736 68.0 146.7 89.7 19.0 11.8 -12.5 8.2 111 121 A F < - 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0 0 49 -2,-0.2 4,-2.0 20,-0.1 22,-0.0 -0.890 48.4-105.1-144.4 176.4 29.8 8.1 22.9 206 216 A G T 4 S+ 0 0 23 -2,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.679 120.5 51.8 -74.8 -18.4 31.8 6.1 25.2 207 217 A K T 4 S+ 0 0 179 1,-0.1 3,-0.3 2,-0.1 -1,-0.2 0.917 121.0 31.1 -81.4 -44.3 32.1 9.0 27.6 208 218 A N T > S+ 0 0 30 1,-0.2 4,-1.3 -5,-0.1 3,-0.3 0.563 94.6 90.0 -88.4 -18.1 28.3 9.6 27.7 209 219 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.706 77.7 57.8 -54.4 -38.9 26.8 6.1 27.2 210 220 A R H > S+ 0 0 131 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.907 105.1 48.2 -67.7 -43.8 26.4 4.8 30.8 211 221 A T H > S+ 0 0 58 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.899 111.1 51.4 -65.3 -38.1 24.3 7.4 32.1 212 222 A L H >< S+ 0 0 3 -4,-1.3 3,-0.7 1,-0.2 -1,-0.2 0.892 112.7 48.3 -63.7 -36.2 22.0 7.2 29.1 213 223 A Y H 3< S+ 0 0 22 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 97.2 67.3 -78.3 -25.2 21.8 3.5 29.7 214 224 A Q H 3< S+ 0 0 117 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.815 79.3 106.1 -63.9 -20.0 21.1 3.8 33.3 215 225 A Q S X< S- 0 0 53 -4,-0.7 3,-1.3 -3,-0.7 -44,-0.0 -0.359 80.6-123.8 -63.5 135.1 17.8 5.2 32.3 216 226 A R T 3 S+ 0 0 191 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.731 104.4 38.6 -50.2 -39.3 14.9 2.8 32.9 217 227 A D T 3 S+ 0 0 14 -215,-0.1 2,-0.5 -20,-0.0 -1,-0.2 0.322 91.4 102.3-103.8 11.4 13.5 2.8 29.3 218 228 A V < + 0 0 0 -3,-1.3 -19,-0.2 -5,-0.2 3,-0.1 -0.838 40.2 174.9 -96.3 123.6 16.8 2.8 27.4 219 229 A N - 0 0 0 -21,-2.9 -213,-1.5 -2,-0.5 2,-0.3 0.048 56.8 -54.2-115.0 26.3 17.8 -0.5 26.0 220 230 A G E -b 6 0A 0 -22,-0.3 -20,-2.7 -215,-0.2 -1,-0.4 -0.823 61.4 -76.9 131.5-178.9 20.9 0.2 24.0 221 231 A F E -bh 7 200A 0 -215,-1.2 -213,-3.3 -2,-0.3 2,-0.6 -0.931 6.3-142.7-133.9 155.5 22.2 2.4 21.3 222 232 A L E -bh 8 201A 5 -22,-2.8 -20,-0.8 -2,-0.4 2,-0.5 -0.953 35.3-161.4-112.3 111.5 22.4 3.1 17.8 223 233 A V E +b 9 0A 2 -215,-3.9 -213,-5.4 -2,-0.6 -22,-0.1 -0.898 25.4 157.3-108.7 118.6 26.0 4.3 17.1 224 234 A G S > S+ 0 0 27 -2,-0.5 3,-2.6 -215,-0.2 4,-0.2 0.706 74.3 20.4 -89.8 -99.0 27.3 6.2 14.0 225 235 A G G > S+ 0 0 56 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.816 126.5 44.6 -36.6 -68.3 30.5 8.3 14.5 226 236 A A G 3 S+ 0 0 6 -22,-0.4 3,-0.5 1,-0.3 6,-0.4 0.421 98.0 75.0 -66.4 -3.5 32.0 6.7 17.6 227 237 A S G < S+ 0 0 0 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.407 91.4 58.6 -87.5 1.5 31.3 3.3 16.1 228 238 A L S < S+ 0 0 71 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.448 101.9 65.0-105.9 -2.8 34.2 4.1 13.8 229 239 A K S > S- 0 0 107 -3,-0.5 3,-1.3 -4,-0.1 4,-0.1 -0.610 95.0-111.3-112.6 170.2 36.5 4.4 16.7 230 240 A P T > S+ 0 0 86 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.659 106.2 84.6 -79.8 -14.9 37.6 1.8 19.2 231 241 A E T >> + 0 0 45 1,-0.3 4,-1.1 2,-0.2 3,-1.1 0.636 66.7 84.7 -59.6 -17.4 35.6 3.6 21.7 232 242 A F H <> S+ 0 0 0 -3,-1.3 4,-2.3 -6,-0.4 -1,-0.3 0.751 83.9 59.4 -59.4 -24.0 32.6 1.6 20.4 233 243 A V H <> S+ 0 0 19 -3,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.810 97.8 56.5 -73.2 -34.4 33.7 -1.2 22.7 234 244 A D H <> S+ 0 0 99 -3,-1.1 4,-0.9 -4,-0.3 -1,-0.2 0.860 108.7 49.8 -63.4 -38.3 33.3 1.1 25.7 235 245 A I H < S+ 0 0 0 -4,-1.1 4,-0.5 2,-0.2 3,-0.3 0.874 106.6 52.4 -72.9 -40.1 29.8 1.5 24.5 236 246 A I H >< S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.924 111.2 49.0 -59.6 -41.5 29.2 -2.2 24.1 237 247 A K H 3< S+ 0 0 84 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.756 97.6 69.3 -70.5 -21.5 30.4 -2.5 27.7 238 248 A A T 3< S+ 0 0 14 -4,-0.9 2,-0.7 -3,-0.3 -1,-0.3 0.667 76.7 86.3 -70.6 -14.1 28.1 0.2 28.8 239 249 A T < 0 0 1 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.1 -0.034 360.0 360.0 -79.5 36.9 25.1 -2.0 28.2 240 250 A Q 0 0 165 -2,-0.7 -208,-0.0 -3,-0.4 -27,-0.0 -0.908 360.0 360.0-136.2 360.0 25.2 -3.6 31.6