==== 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 05-JUN-07 2V2D . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR M.ALAHUHTA,M.G.CASTELEIJN,P.NEUBAUER,R.K.WIERENGA . 241 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 15.4 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 . 18 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 0 0 1 2 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 3 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 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -97.6 -9.3 -13.9 3.9 2 3 A K - 0 0 55 1,-0.1 195,-0.1 218,-0.1 197,-0.1 -0.169 360.0-105.1 -65.0 158.3 -12.6 -15.6 3.0 3 4 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 194,-0.1 -0.142 63.2 -56.6 -68.4-179.5 -15.4 -13.7 1.3 4 5 A Q - 0 0 58 193,-0.1 32,-0.2 1,-0.1 217,-0.0 -0.465 65.3-127.9 -59.3 120.7 -18.5 -12.6 3.3 5 6 A P - 0 0 11 0, 0.0 32,-2.6 0, 0.0 2,-0.4 -0.280 17.2-142.0 -70.4 163.6 -20.0 -15.8 4.9 6 7 A I E -ab 37 222A 0 215,-2.1 217,-1.7 30,-0.2 2,-0.6 -0.996 10.5-164.0-128.8 128.2 -23.6 -16.7 4.4 7 8 A A E -ab 38 223A 0 30,-2.0 32,-2.7 -2,-0.4 2,-0.5 -0.945 20.7-172.6-108.8 110.5 -26.0 -18.3 7.0 8 9 A A E -ab 39 224A 0 215,-2.8 217,-3.2 -2,-0.6 2,-0.6 -0.904 16.4-160.3-114.4 124.4 -29.1 -19.7 5.1 9 10 A A E -ab 40 225A 0 30,-3.1 32,-3.8 -2,-0.5 2,-0.9 -0.901 4.6-161.6 -97.9 119.3 -32.2 -21.1 6.6 10 11 A N E -a 41 0A 7 215,-2.7 2,-0.5 -2,-0.6 32,-0.1 -0.674 12.4-158.1-100.6 75.2 -34.1 -23.2 4.2 11 12 A W 0 0 3 30,-1.4 32,-0.3 -2,-0.9 35,-0.1 -0.376 360.0 360.0 -56.4 108.9 -37.5 -23.2 6.0 12 13 A K 0 0 82 -2,-0.5 -1,-0.2 30,-0.1 3,-0.1 0.829 360.0 360.0-106.9 360.0 -39.2 -26.3 4.5 13 ! 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 14 15 A S 0 0 96 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 173.0 -43.2 -26.3 7.0 15 16 A G - 0 0 40 -3,-0.1 -4,-0.0 -4,-0.1 215,-0.0 -0.051 360.0 -80.5 98.5 148.2 -43.3 -25.2 10.6 16 17 A S > - 0 0 52 1,-0.1 4,-1.9 -2,-0.1 5,-0.1 -0.415 30.1-121.6 -74.3 156.5 -46.3 -23.5 12.3 17 18 A P H > S+ 0 0 77 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.774 113.6 58.1 -62.4 -28.9 -46.9 -19.7 12.0 18 19 A D H > S+ 0 0 125 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.902 109.9 39.1 -69.8 -43.6 -46.7 -19.6 15.8 19 20 A S H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.856 114.5 53.6 -77.1 -38.3 -43.1 -21.1 16.1 20 21 A L H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.886 107.3 54.6 -53.4 -43.5 -41.9 -19.2 13.0 21 22 A S H X S+ 0 0 48 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.916 108.9 45.1 -61.2 -47.6 -43.2 -16.0 14.8 22 23 A E H X S+ 0 0 134 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.790 111.7 54.6 -63.9 -32.0 -41.2 -16.7 17.9 23 24 A L H X S+ 0 0 11 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.877 105.3 52.6 -68.3 -40.7 -38.2 -17.5 15.7 24 25 A I H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 31,-0.2 0.924 109.9 47.7 -60.3 -50.5 -38.6 -14.1 14.0 25 26 A D H X S+ 0 0 99 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.901 111.4 52.5 -51.6 -46.0 -38.5 -12.4 17.5 26 27 A L H < S+ 0 0 59 -4,-1.9 -2,-0.2 2,-0.2 4,-0.2 0.938 113.3 42.7 -58.3 -49.1 -35.4 -14.5 18.3 27 28 A F H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.904 112.6 53.2 -64.2 -42.6 -33.7 -13.4 15.1 28 29 A N H 3< S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.857 111.9 45.8 -61.0 -36.1 -34.8 -9.7 15.6 29 30 A S T 3< S+ 0 0 91 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.3 0.350 90.6 109.1 -90.7 4.8 -33.3 -9.7 19.1 30 31 A T < - 0 0 22 -3,-1.3 2,-0.6 -4,-0.2 -3,-0.0 -0.728 58.5-150.3 -87.2 126.3 -30.1 -11.4 18.0 31 32 A S - 0 0 96 -2,-0.5 2,-0.5 2,-0.0 -2,-0.1 -0.860 13.5-168.5 -93.9 120.5 -26.9 -9.2 18.0 32 33 A I - 0 0 16 -2,-0.6 4,-0.1 1,-0.1 207,-0.0 -0.946 7.6-168.0-118.0 128.4 -24.5 -10.4 15.4 33 34 A N + 0 0 135 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.137 60.1 56.7-111.8 16.5 -21.0 -8.9 15.5 34 35 A H S S- 0 0 34 2,-0.1 2,-0.7 208,-0.0 208,-0.1 -0.924 93.0 -86.5-136.5 166.3 -19.3 -9.9 12.2 35 36 A D + 0 0 102 -2,-0.3 2,-0.3 206,-0.0 -2,-0.1 -0.639 65.8 140.7 -75.0 115.0 -20.1 -9.4 8.5 36 37 A V - 0 0 2 -2,-0.7 2,-0.7 -32,-0.2 -30,-0.2 -0.968 47.2-131.8-156.7 137.2 -22.4 -12.3 7.5 37 38 A Q E -a 6 0A 42 -32,-2.6 -30,-2.0 -2,-0.3 2,-0.4 -0.861 23.4-159.2 -97.1 112.7 -25.4 -12.4 5.2 38 39 A C E -ac 7 59A 0 20,-2.6 22,-1.4 -2,-0.7 2,-0.4 -0.756 8.7-168.8 -92.9 141.8 -28.3 -14.3 6.8 39 40 A V E -ac 8 60A 0 -32,-2.7 -30,-3.1 -2,-0.4 2,-0.5 -0.972 16.3-164.6-131.5 136.1 -31.0 -15.7 4.6 40 41 A V E -ac 9 61A 0 20,-1.8 22,-2.2 -2,-0.4 2,-0.4 -0.948 17.0-167.4-119.3 109.7 -34.5 -17.1 5.3 41 42 A A E +ac 10 62A 1 -32,-3.8 -30,-1.4 -2,-0.5 2,-0.3 -0.792 21.5 140.5 -97.0 136.1 -35.8 -19.1 2.4 42 43 A S E - c 0 63A 1 20,-2.4 22,-0.6 -2,-0.4 23,-0.2 -0.965 50.4 -87.6-159.4 174.7 -39.4 -20.1 2.2 43 44 A T >> - 0 0 75 -32,-0.3 4,-1.6 -2,-0.3 3,-0.5 -0.339 62.6 -87.1 -77.8 172.9 -42.7 -20.7 0.3 44 45 A F H 3> S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.860 119.6 60.3 -56.3 -46.4 -45.0 -17.7 0.1 45 46 A V H 3> S+ 0 0 102 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.874 114.6 36.1 -54.4 -40.4 -47.1 -18.1 3.3 46 47 A H H <> S+ 0 0 12 -3,-0.5 4,-3.0 2,-0.2 -1,-0.3 0.781 111.7 62.8 -79.4 -28.0 -44.0 -17.8 5.5 47 48 A L H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.895 103.9 45.5 -66.4 -41.8 -42.4 -15.2 3.2 48 49 A A H X S+ 0 0 29 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.908 114.1 52.1 -68.5 -40.7 -45.1 -12.6 3.7 49 50 A M H X S+ 0 0 54 -4,-1.2 4,-2.3 -5,-0.3 5,-0.4 0.928 112.8 42.7 -51.6 -53.4 -44.9 -13.4 7.5 50 51 A T H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.896 114.9 50.5 -68.8 -40.4 -41.1 -12.9 7.6 51 52 A K H < S+ 0 0 99 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.836 111.5 51.6 -56.1 -39.5 -41.5 -9.8 5.4 52 53 A E H < S+ 0 0 144 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.942 130.9 6.5 -65.6 -51.1 -44.2 -8.6 7.8 53 54 A R H < S+ 0 0 177 -4,-2.3 2,-0.5 -5,-0.1 -3,-0.2 0.617 98.8 100.4-116.6 -17.6 -42.4 -8.9 11.1 54 55 A L < + 0 0 23 -4,-2.0 2,-0.3 -5,-0.4 -29,-0.1 -0.630 38.9 161.0 -79.0 121.2 -38.7 -9.8 10.5 55 56 A S + 0 0 100 -2,-0.5 5,-0.1 -31,-0.2 -4,-0.0 -0.847 12.1 132.4-148.4 99.8 -36.4 -6.8 10.7 56 57 A H > - 0 0 23 -2,-0.3 3,-1.4 3,-0.2 -28,-0.1 -0.966 55.3-128.1-149.6 132.1 -32.7 -7.3 11.2 57 58 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.683 109.4 48.0 -58.5 -18.9 -30.0 -5.5 9.2 58 59 A K T 3 S+ 0 0 46 -21,-0.1 -20,-2.6 2,-0.0 2,-0.3 0.539 95.7 86.8-102.1 -6.8 -28.3 -8.8 8.4 59 60 A F E < +c 38 0A 22 -3,-1.4 2,-0.3 -22,-0.2 -3,-0.2 -0.714 45.5 174.1 -98.8 146.3 -31.4 -10.8 7.3 60 61 A V E -c 39 0A 36 -22,-1.4 -20,-1.8 -2,-0.3 2,-0.3 -0.903 26.6-123.0-136.6 160.8 -32.9 -11.1 3.9 61 62 A I E -c 40 0A 18 -2,-0.3 21,-0.7 18,-0.2 20,-0.6 -0.826 25.4-165.6-107.5 154.0 -35.7 -13.3 2.6 62 63 A A E -cd 41 82A 0 -22,-2.2 -20,-2.4 -2,-0.3 21,-0.3 -0.974 16.0-128.3-141.5 146.7 -35.5 -15.8 -0.3 63 64 A A E -cd 42 83A 4 19,-2.4 21,-2.5 -2,-0.3 -20,-0.2 -0.526 7.2-149.4 -86.1 162.0 -37.8 -17.8 -2.5 64 65 A Q S S+ 0 0 12 -22,-0.6 2,-0.3 1,-0.4 23,-0.2 0.478 76.2 5.9-109.7 -10.3 -37.4 -21.5 -3.0 65 66 A N - 0 0 49 -23,-0.2 2,-0.4 20,-0.1 -1,-0.4 -0.906 48.7-155.0-171.1 143.5 -38.8 -21.7 -6.6 66 67 A A - 0 0 11 -2,-0.3 42,-0.0 -3,-0.1 3,-0.0 -0.989 12.2-159.5-121.7 119.7 -40.0 -19.6 -9.5 67 68 A G - 0 0 63 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 0.763 66.5 -21.1 -67.9 -29.2 -42.4 -21.4 -11.8 68 69 A N S > S- 0 0 91 1,-0.0 4,-1.5 36,-0.0 3,-0.4 -0.907 82.5 -69.3-163.7-178.6 -42.0 -19.2 -14.8 69 70 A A H > S+ 0 0 79 -2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.891 129.1 49.9 -53.7 -47.7 -40.9 -15.7 -16.2 70 71 A D H > S+ 0 0 126 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.806 105.8 53.6 -59.6 -33.8 -43.9 -14.1 -14.5 71 72 A A H >> S+ 0 0 26 -3,-0.4 4,-2.9 2,-0.2 3,-0.5 0.960 110.0 50.5 -76.0 -28.7 -43.3 -15.8 -11.1 72 80 A L H 3X S+ 0 0 16 -4,-1.5 4,-1.9 1,-0.3 -2,-0.2 0.703 116.8 41.8 -62.6 -54.4 -39.4 -14.2 -11.2 73 81 A A H 3X S+ 0 0 57 -4,-1.9 4,-2.3 2,-0.2 -1,-0.3 0.874 114.1 47.6 -67.7 -46.0 -40.8 -10.8 -12.0 74 82 A S H S+ 0 0 24 -4,-2.9 5,-2.0 2,-0.2 4,-0.8 0.926 109.4 47.1 -63.2 -48.4 -41.4 -12.0 -6.8 76 84 A K H ><5S+ 0 0 64 -4,-1.9 3,-0.8 -5,-0.3 -2,-0.2 0.892 111.0 53.5 -54.0 -42.9 -39.0 -9.1 -7.5 77 85 A D H 3<5S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.742 105.4 54.7 -64.6 -26.3 -42.0 -6.8 -7.5 78 86 A F H 3<5S- 0 0 62 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.637 125.4 -99.1 -83.2 -16.9 -43.0 -8.2 -4.0 79 87 A G T <<5S+ 0 0 39 -4,-0.8 2,-0.6 -3,-0.8 -18,-0.2 0.487 78.0 135.0 111.9 6.6 -39.5 -7.4 -2.5 80 88 A V < + 0 0 0 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.791 18.5 166.8 -94.3 120.8 -37.8 -10.8 -2.7 81 89 A N + 0 0 63 -20,-0.6 33,-3.2 -2,-0.6 2,-0.3 0.421 56.1 65.7-114.5 -1.8 -34.2 -10.5 -4.1 82 90 A W E -de 62 114A 16 -21,-0.7 -19,-2.4 31,-0.3 2,-0.3 -0.904 53.9-178.7-124.1 149.2 -32.8 -13.9 -3.2 83 91 A I E -de 63 115A 1 31,-2.0 33,-2.4 -2,-0.3 2,-0.5 -0.991 20.0-141.9-149.7 136.6 -33.8 -17.4 -4.5 84 92 A V E - e 0 116A 0 -21,-2.5 2,-0.3 -2,-0.3 33,-0.2 -0.925 30.7-177.9 -99.6 127.8 -32.5 -20.9 -3.6 85 93 A L E + e 0 117A 4 31,-3.2 33,-2.9 -2,-0.5 3,-0.1 -0.908 52.2 19.6-132.0 153.5 -32.2 -23.2 -6.7 86 94 A G S S+ 0 0 0 -2,-0.3 5,-0.2 31,-0.2 -1,-0.1 0.558 77.6 157.6 69.9 6.1 -31.3 -26.8 -7.5 87 95 A H >> - 0 0 3 -23,-0.2 4,-1.5 29,-0.2 3,-1.3 -0.125 58.2 -94.6 -60.9 165.2 -31.8 -27.8 -3.9 88 96 A S H 3>>S+ 0 0 32 1,-0.3 4,-3.6 2,-0.2 5,-0.6 0.831 122.1 58.1 -59.9 -41.1 -32.5 -31.5 -3.3 89 97 A E H 3>>S+ 0 0 65 1,-0.2 5,-2.1 3,-0.2 4,-1.4 0.870 110.7 48.6 -51.4 -34.7 -36.3 -31.4 -3.3 90 98 A R H <45S+ 0 0 36 -3,-1.3 6,-3.0 3,-0.2 -2,-0.2 0.855 118.5 36.1 -76.9 -41.1 -36.0 -29.9 -6.8 91 99 A R H <5S+ 0 0 18 -4,-1.5 -2,-0.2 4,-0.2 -3,-0.2 0.880 130.1 30.9 -77.0 -40.0 -33.6 -32.5 -8.1 92 100 A W H <5S+ 0 0 113 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.809 129.0 27.2-100.0 -34.4 -35.0 -35.5 -6.3 93 101 A Y T < - 0 0 66 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.342 26.4 -99.9 -81.8 166.5 -32.1 -31.9 -14.5 98 106 A N H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.856 126.6 49.0 -49.7 -39.0 -28.7 -30.1 -14.5 99 107 A E H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 107.3 51.8 -74.1 -46.2 -30.0 -28.2 -17.5 100 108 A I H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.913 114.5 44.4 -56.6 -44.3 -33.3 -27.2 -16.0 101 109 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.874 111.4 52.9 -71.5 -36.2 -31.5 -25.8 -12.9 102 110 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.919 110.0 48.6 -57.8 -47.9 -28.8 -24.1 -15.0 103 111 A D H X S+ 0 0 85 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.847 112.2 49.0 -63.4 -35.9 -31.5 -22.3 -17.0 104 112 A K H X S+ 0 0 43 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.916 110.3 51.2 -68.0 -44.8 -33.3 -21.3 -13.8 105 113 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.958 113.4 44.3 -55.5 -51.5 -30.1 -19.9 -12.3 106 114 A A H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.905 112.9 50.3 -63.6 -44.9 -29.3 -17.8 -15.4 107 115 A A H < S+ 0 0 45 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.851 112.5 47.9 -63.9 -34.0 -32.9 -16.5 -15.7 108 116 A A H ><>S+ 0 0 1 -4,-2.2 5,-2.1 2,-0.2 3,-1.4 0.926 109.5 52.2 -71.6 -46.8 -32.9 -15.5 -12.0 109 117 A V H ><5S+ 0 0 5 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.949 107.8 53.5 -47.5 -52.4 -29.5 -13.8 -12.3 110 118 A A T 3<5S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.582 105.4 54.9 -60.9 -12.6 -31.0 -11.9 -15.3 111 119 A S T < 5S- 0 0 51 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.341 124.7 -96.8-104.7 2.2 -33.9 -10.7 -13.2 112 120 A G T < 5S+ 0 0 32 -3,-1.9 -3,-0.2 -4,-0.3 2,-0.2 0.539 75.5 142.6 94.6 8.8 -31.8 -9.2 -10.4 113 121 A F < - 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0 0 22 -40,-3.6 2,-2.5 -2,-0.6 3,-0.2 -0.884 12.7-154.7-108.9 100.9 -25.5 -31.0 -0.5 160 168 A P > + 0 0 7 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.398 25.5 166.4 -72.2 75.7 -24.2 -34.4 0.4 161 169 A V G > + 0 0 29 -2,-2.5 3,-1.8 1,-0.3 -39,-0.2 0.789 62.8 76.4 -61.5 -27.5 -27.4 -36.2 -0.3 162 170 A W G 3 S+ 0 0 11 -41,-1.4 -1,-0.3 1,-0.3 -40,-0.1 0.628 86.3 62.5 -57.5 -18.4 -25.6 -39.6 -0.2 163 171 A A G X> S+ 0 0 15 -3,-1.8 3,-1.7 2,-0.1 4,-0.6 0.544 71.9 111.6 -91.3 -10.9 -25.5 -39.4 3.6 164 172 A I T <4 S+ 0 0 137 -3,-1.8 -41,-0.1 1,-0.3 5,-0.0 -0.511 90.9 9.7 -66.7 122.0 -29.3 -39.5 4.2 165 173 A G T 34 S+ 0 0 84 -2,-0.4 -1,-0.3 3,-0.1 -2,-0.1 0.404 101.3 101.6 87.5 -1.8 -30.2 -42.8 5.9 166 174 A T T <4 S- 0 0 63 -3,-1.7 -2,-0.1 2,-0.2 3,-0.1 0.804 86.7-129.3 -78.4 -28.5 -26.6 -43.8 6.5 167 175 A G S < S+ 0 0 85 -4,-0.6 2,-0.2 1,-0.3 -3,-0.1 0.184 73.1 117.3 92.3 -8.2 -26.8 -42.8 10.1 168 176 A K - 0 0 90 -5,-0.4 -1,-0.3 0, 0.0 2,-0.3 -0.612 53.6-155.9-104.0 149.2 -23.6 -40.8 9.4 169 177 A V - 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0 0 1 -21,-3.1 -215,-2.1 -2,-0.5 2,-0.3 0.033 60.3 -60.8-120.8 23.6 -18.1 -20.0 3.5 222 230 A G E -b 6 0A 0 -22,-0.3 -20,-2.8 -217,-0.2 2,-0.3 -0.918 61.6 -69.1 131.5-160.7 -21.2 -20.9 5.6 223 231 A F E -bh 7 202A 0 -217,-1.7 -215,-2.8 -2,-0.3 2,-0.6 -0.986 6.1-151.5-143.1 143.2 -24.2 -23.2 5.7 224 232 A L E -b 8 0A 5 -22,-1.9 2,-0.4 -2,-0.3 -215,-0.2 -0.988 35.6-164.4-107.4 116.4 -27.5 -24.0 4.0 225 233 A V E +b 9 0A 2 -217,-3.2 -215,-2.7 -2,-0.6 -20,-0.1 -0.873 22.3 175.5-114.1 130.3 -29.4 -25.4 6.9 226 234 A G S S+ 0 0 57 -2,-0.4 -1,-0.1 -217,-0.2 -217,-0.1 -0.102 77.5 20.5-129.9 39.2 -32.6 -27.4 6.5 227 235 A G S > S+ 0 0 37 -21,-0.1 3,-0.9 4,-0.1 7,-0.1 0.151 122.5 45.1-159.1 -53.4 -33.6 -28.7 10.0 228 236 A A G > S+ 0 0 8 -22,-0.3 3,-1.8 1,-0.2 6,-0.7 0.634 97.4 76.5 -76.7 -17.5 -32.0 -26.6 12.7 229 237 A S G 3 S+ 0 0 0 1,-0.3 -1,-0.2 4,-0.1 -218,-0.1 0.723 93.0 53.8 -63.1 -24.9 -32.9 -23.4 10.7 230 238 A L G < S+ 0 0 58 -3,-0.9 -1,-0.3 -220,-0.1 -2,-0.2 0.347 108.1 68.5 -85.0 2.1 -36.4 -24.1 12.2 231 239 A K S X S- 0 0 115 -3,-1.8 3,-2.5 1,-0.1 4,-0.2 -0.919 93.5-109.6-125.5 150.9 -34.9 -24.2 15.6 232 240 A P T > S+ 0 0 87 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.735 109.8 74.5 -34.1 -39.0 -33.2 -21.6 18.0 233 241 A E T 3> S+ 0 0 49 1,-0.3 4,-1.4 2,-0.2 -4,-0.1 0.564 71.3 82.8 -65.7 -7.8 -29.8 -23.2 17.4 234 242 A F H <> S+ 0 0 0 -3,-2.5 4,-2.3 -6,-0.7 -1,-0.3 0.822 85.5 61.3 -58.7 -30.3 -29.8 -21.6 13.9 235 243 A V H <> S+ 0 0 29 -3,-2.1 4,-2.3 -4,-0.2 -1,-0.2 0.926 101.6 50.9 -55.7 -45.9 -28.5 -18.7 16.0 236 244 A D H > S+ 0 0 90 -4,-0.4 4,-0.7 1,-0.2 -2,-0.2 0.818 108.0 52.0 -63.4 -34.5 -25.5 -20.9 17.0 237 245 A I H >< S+ 0 0 0 -4,-1.4 3,-0.8 2,-0.2 4,-0.4 0.921 107.6 51.3 -70.7 -44.2 -24.9 -21.7 13.3 238 246 A I H >< S+ 0 0 1 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.944 109.1 51.8 -52.1 -50.1 -24.8 -18.0 12.4 239 247 A K H >< S+ 0 0 56 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.640 96.4 69.0 -68.2 -15.0 -22.3 -17.4 15.1 240 248 A A T << S+ 0 0 4 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.617 81.7 79.0 -71.7 -14.3 -20.1 -20.2 13.8 241 249 A T T < 0 0 2 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.1 0.347 360.0 360.0 -85.6 10.2 -19.3 -18.1 10.8 242 250 A Q < 0 0 110 -3,-0.8 -2,-0.1 -208,-0.1 -3,-0.0 0.268 360.0 360.0-104.9 360.0 -16.7 -15.9 12.5