==== 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 27-SEP-96 1ML1 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR N.THANKI,J.P.ZEELEN,M.MATHIEU,R.JAENICKE,R.A.ABAGYAN, . 1446 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1098 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 222 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 . 120 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 516 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.1 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 12 18 0 0 0 12 0 6 12 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 6 12 18 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 6 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 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.3 12.9 3.6 -2.5 2 3 A K - 0 0 56 1,-0.1 194,-0.1 217,-0.0 196,-0.1 -0.615 360.0-111.0 -88.5 146.6 16.6 3.2 -2.4 3 4 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 193,-0.1 -0.201 59.3 -60.3 -68.0 172.8 18.8 5.9 -0.8 4 5 A Q - 0 0 65 1,-0.1 31,-0.2 192,-0.1 2,-0.1 -0.316 64.7-124.9 -57.5 128.7 21.0 8.1 -3.1 5 6 A P - 0 0 10 0, 0.0 31,-2.5 0, 0.0 2,-0.4 -0.435 17.0-146.8 -77.3 158.4 23.5 5.7 -4.9 6 7 A I E -ab 36 221A 0 214,-1.6 216,-1.3 29,-0.2 2,-0.5 -0.937 9.4-166.3-128.2 134.6 27.2 6.2 -4.8 7 8 A A E -ab 37 222A 0 29,-2.1 31,-2.0 -2,-0.4 2,-0.4 -0.933 21.2-173.6-123.3 99.7 29.6 5.3 -7.6 8 9 A A E -ab 38 223A 0 214,-2.8 216,-3.1 -2,-0.5 2,-0.4 -0.839 14.0-151.0-101.6 135.9 33.1 5.3 -6.0 9 10 A A E -ab 39 224A 0 29,-3.3 31,-3.3 -2,-0.4 2,-0.6 -0.860 1.9-158.9-103.6 137.9 36.4 5.0 -7.9 10 11 A N E -a 40 0A 4 214,-3.0 2,-1.5 -2,-0.4 31,-0.2 -0.844 7.5-159.4-118.8 87.3 39.4 3.4 -6.1 11 12 A W + 0 0 1 29,-2.7 31,-0.4 -2,-0.6 34,-0.1 -0.560 23.3 163.9 -73.4 92.3 42.5 4.6 -8.0 12 13 A K - 0 0 93 -2,-1.5 2,-0.2 29,-0.1 -1,-0.2 0.650 66.2 -6.7 -82.7 -20.0 45.0 2.0 -6.9 13 15 A S S S+ 0 0 77 -3,-0.1 2,-0.1 2,-0.0 29,-0.0 -0.876 72.8 113.3-156.8-172.6 47.4 2.8 -9.7 14 16 A G - 0 0 45 -2,-0.2 31,-0.0 -3,-0.0 215,-0.0 -0.365 55.1 -80.5 120.1 162.5 47.9 4.8 -12.9 15 17 A S > - 0 0 57 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.788 33.2-118.9-103.9 147.8 50.0 7.7 -14.3 16 18 A P H > S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.828 113.0 46.9 -49.0 -41.0 49.3 11.4 -13.8 17 19 A D H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.941 112.6 45.9 -70.6 -49.8 48.8 12.0 -17.5 18 20 A S H > S+ 0 0 57 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.920 114.2 52.4 -59.0 -41.8 46.5 9.1 -18.2 19 21 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.872 103.2 54.4 -64.6 -38.9 44.5 10.1 -15.1 20 22 A S H X S+ 0 0 25 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.795 103.9 57.5 -68.6 -23.8 44.1 13.8 -16.1 21 23 A E H X S+ 0 0 145 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.912 107.3 48.1 -68.5 -40.5 42.6 12.5 -19.4 22 24 A L H X S+ 0 0 10 -4,-1.3 4,-2.8 1,-0.2 -2,-0.2 0.913 108.4 53.6 -61.7 -48.6 40.0 10.6 -17.3 23 25 A I H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 31,-0.3 0.833 107.5 51.8 -56.4 -34.5 39.3 13.7 -15.2 24 26 A D H X S+ 0 0 74 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.936 109.6 49.0 -68.2 -45.5 38.6 15.6 -18.3 25 27 A L H < S+ 0 0 53 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.930 114.2 46.1 -57.9 -48.4 36.1 13.0 -19.5 26 28 A F H >< S+ 0 0 2 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.930 108.6 54.8 -60.7 -49.5 34.4 13.0 -16.1 27 29 A N H 3< S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 110.3 47.4 -56.7 -29.3 34.2 16.7 -16.0 28 30 A S T 3< S+ 0 0 94 -4,-1.5 2,-0.5 -3,-0.3 -1,-0.3 0.153 91.4 103.7 -98.8 16.9 32.5 16.8 -19.3 29 31 A T < - 0 0 27 -3,-2.3 2,-0.5 -5,-0.1 -3,-0.0 -0.892 59.0-148.7-107.3 122.1 30.0 14.1 -18.5 30 32 A S - 0 0 89 -2,-0.5 2,-0.6 25,-0.0 -2,-0.1 -0.767 7.6-162.7 -90.4 127.5 26.3 15.0 -17.7 31 33 A I - 0 0 8 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.959 3.4-160.9-110.7 116.2 24.7 12.6 -15.2 32 34 A N + 0 0 136 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.038 66.4 56.0 -90.1 28.1 20.9 13.0 -15.4 33 35 A H S S- 0 0 32 2,-0.1 2,-0.8 0, 0.0 -2,-0.1 -0.966 93.7 -87.0-150.8 163.0 20.1 11.4 -12.1 34 36 A D + 0 0 104 -2,-0.3 2,-0.3 207,-0.1 -2,-0.1 -0.662 62.4 137.1 -80.0 112.2 21.0 11.9 -8.5 35 37 A V - 0 0 2 -2,-0.8 2,-0.6 -31,-0.2 -29,-0.2 -0.984 48.0-130.7-152.3 141.4 24.2 9.9 -7.6 36 38 A Q E -a 6 0A 47 -31,-2.5 -29,-2.1 -2,-0.3 2,-0.4 -0.908 24.7-158.2 -96.1 121.2 27.2 10.9 -5.4 37 39 A C E -ac 7 58A 0 20,-2.9 22,-1.4 -2,-0.6 2,-0.4 -0.875 7.9-168.6-102.0 138.0 30.4 10.1 -7.3 38 40 A V E -ac 8 59A 0 -31,-2.0 -29,-3.3 -2,-0.4 2,-0.5 -0.980 12.8-162.4-129.2 133.5 33.6 9.6 -5.3 39 41 A V E -ac 9 60A 1 20,-2.1 22,-2.6 -2,-0.4 2,-0.4 -0.970 16.7-168.5-116.2 109.8 37.2 9.4 -6.6 40 42 A A E +ac 10 61A 1 -31,-3.3 -29,-2.7 -2,-0.5 2,-0.3 -0.818 19.9 140.1-100.7 138.2 39.5 7.8 -3.9 41 43 A S E - c 0 62A 0 20,-2.1 22,-1.6 -2,-0.4 23,-0.2 -0.925 44.1 -89.6-160.2-177.7 43.3 7.8 -4.2 42 44 A T >> - 0 0 37 -31,-0.4 4,-2.2 -2,-0.3 3,-0.7 -0.498 55.2 -86.0 -95.0 176.5 46.7 8.2 -2.6 43 45 A F H 3> S+ 0 0 52 1,-0.2 4,-1.0 2,-0.2 -1,-0.0 0.830 120.7 68.7 -54.4 -32.5 48.7 11.4 -2.1 44 46 A V H 34 S+ 0 0 77 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.932 116.6 19.3 -54.3 -50.8 50.2 11.0 -5.6 45 47 A H H <> S+ 0 0 12 -3,-0.7 4,-2.4 1,-0.2 5,-0.3 0.667 106.2 84.7 -96.1 -14.0 47.0 11.7 -7.4 46 48 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.800 89.0 49.8 -58.8 -36.4 45.1 13.5 -4.7 47 49 A A H X S+ 0 0 17 -4,-1.0 4,-0.6 -3,-0.2 -1,-0.2 0.889 113.3 46.5 -71.8 -39.9 46.5 16.9 -5.3 48 50 A M H >> S+ 0 0 11 -4,-0.3 4,-3.4 -3,-0.2 3,-1.1 0.964 115.4 43.1 -64.9 -55.2 45.8 16.8 -9.0 49 51 A T H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.915 107.3 60.9 -60.5 -42.2 42.2 15.5 -8.8 50 52 A K H 3< S+ 0 0 58 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.796 119.8 28.9 -55.9 -24.4 41.5 17.9 -5.9 51 53 A E H << S+ 0 0 80 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.748 125.9 41.5-108.6 -28.7 42.3 20.7 -8.4 52 54 A R H < S+ 0 0 79 -4,-3.4 2,-0.5 -5,-0.1 -3,-0.2 0.774 91.2 88.1 -93.0 -27.9 41.4 19.3 -11.7 53 55 A L < + 0 0 25 -4,-2.6 -29,-0.1 -5,-0.3 7,-0.1 -0.612 42.9 159.8 -76.4 120.9 38.1 17.5 -11.0 54 56 A S + 0 0 89 -2,-0.5 -1,-0.2 -31,-0.3 -30,-0.0 0.524 21.8 128.6-118.9 -10.7 35.3 20.0 -11.4 55 57 A H > - 0 0 18 -32,-0.2 3,-1.6 1,-0.1 -28,-0.1 -0.249 57.9-135.7 -52.7 131.1 32.2 17.9 -11.9 56 58 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.679 103.4 51.7 -59.0 -28.2 29.3 19.0 -9.5 57 59 A K T 3 S+ 0 0 57 -21,-0.1 -20,-2.9 2,-0.0 2,-0.3 0.480 95.5 87.6 -89.1 -5.9 28.6 15.3 -8.7 58 60 A F E < +c 37 0A 20 -3,-1.6 2,-0.3 -22,-0.2 -20,-0.2 -0.701 45.9 175.5 -99.9 152.6 32.1 14.3 -7.8 59 61 A V E -c 38 0A 36 -22,-1.4 -20,-2.1 -2,-0.3 2,-0.3 -0.887 24.1-126.7-144.5 156.5 33.9 14.4 -4.5 60 62 A I E -c 39 0A 19 -2,-0.3 21,-0.8 -22,-0.2 20,-0.6 -0.882 21.6-167.4-112.3 155.4 37.5 13.1 -3.7 61 63 A A E -cd 40 81A 0 -22,-2.6 -20,-2.1 -2,-0.3 2,-0.3 -0.959 21.7-119.4-142.6 155.3 38.6 10.8 -0.9 62 64 A A E -cd 41 82A 0 19,-1.7 21,-2.4 -2,-0.3 -20,-0.2 -0.656 22.0-134.3 -89.3 146.8 41.7 9.5 0.8 63 65 A Q S S- 0 0 35 -22,-1.6 2,-0.3 -2,-0.3 23,-0.2 0.593 77.0 -21.5 -77.9 -13.7 42.5 5.8 0.6 64 66 A N - 0 0 20 -23,-0.2 2,-0.4 20,-0.1 -1,-0.2 -0.951 52.9-137.2-179.8 167.8 43.4 5.5 4.3 65 67 A A - 0 0 6 -2,-0.3 3,-0.1 -3,-0.1 512,-0.1 -0.982 5.2-157.1-141.8 134.9 44.5 7.4 7.3 66 68 A G S S- 0 0 57 -2,-0.4 2,-0.3 510,-0.3 -1,-0.1 0.693 70.0 -19.3 -87.7 -18.9 47.2 6.1 9.7 67 69 A N S >> S- 0 0 72 1,-0.0 4,-1.8 36,-0.0 3,-0.6 -0.983 77.9 -75.3-172.9 175.7 46.2 8.1 12.7 68 70 A A H 3> S+ 0 0 67 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.773 122.5 58.0 -57.5 -32.6 44.4 11.1 14.1 69 71 A D H 3> S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.932 106.4 48.6 -66.5 -41.0 47.0 13.5 13.0 70 72 A A H <> S+ 0 0 1 -3,-0.6 4,-2.8 507,-0.3 5,-0.3 0.853 109.6 52.4 -65.6 -35.6 46.5 12.4 9.4 71 80 A L H X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.948 111.8 47.1 -65.4 -43.0 42.8 12.8 9.7 72 81 A A H X S+ 0 0 46 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.940 114.9 44.1 -61.9 -49.0 43.3 16.3 10.9 73 82 A S H X S+ 0 0 20 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.911 114.4 49.7 -63.7 -45.2 45.8 17.2 8.2 74 83 A L H X>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 4,-0.8 0.917 110.1 51.1 -60.1 -44.7 43.6 15.6 5.5 75 84 A K H ><5S+ 0 0 59 -4,-2.6 3,-1.8 -5,-0.3 -2,-0.2 0.979 113.0 45.6 -57.6 -50.6 40.6 17.4 6.8 76 85 A D H 3<5S+ 0 0 132 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.861 105.9 59.7 -61.1 -36.8 42.6 20.7 6.7 77 86 A F H 3<5S- 0 0 9 -4,-2.8 -1,-0.3 498,-0.2 -2,-0.2 0.711 126.5-103.3 -65.6 -15.8 43.9 19.8 3.2 78 87 A G T <<5S+ 0 0 31 -3,-1.8 2,-0.5 -4,-0.8 -3,-0.2 0.796 74.2 138.1 99.8 29.9 40.2 19.8 2.2 79 88 A V < + 0 0 0 -5,-2.1 -1,-0.3 -4,-0.2 -18,-0.1 -0.955 19.2 171.9-110.6 125.8 39.4 16.0 2.0 80 89 A N + 0 0 73 -20,-0.6 33,-2.7 -2,-0.5 2,-0.4 0.501 58.3 59.6-110.3 -10.0 36.0 15.1 3.4 81 90 A W E -de 61 113A 17 -21,-0.8 -19,-1.7 31,-0.2 2,-0.3 -0.925 59.7-177.2-118.9 151.3 35.5 11.4 2.5 82 91 A I E -de 62 114A 0 31,-2.2 33,-2.7 -2,-0.4 2,-0.5 -0.998 21.8-137.0-150.9 142.4 37.8 8.5 3.4 83 92 A V E + e 0 115A 2 -21,-2.4 2,-0.3 -2,-0.3 33,-0.2 -0.894 31.1 177.8 -98.9 124.9 38.0 4.8 2.6 84 93 A L E + e 0 116A 1 31,-2.8 33,-2.9 -2,-0.5 -20,-0.1 -0.928 52.8 24.2-129.8 155.3 38.8 2.6 5.6 85 94 A G S S+ 0 0 1 -2,-0.3 5,-0.1 31,-0.2 -1,-0.1 0.651 73.5 172.2 71.8 17.4 39.2 -1.2 6.3 86 95 A H >> - 0 0 4 -23,-0.2 3,-1.6 -3,-0.1 4,-1.1 -0.266 47.0 -96.2 -59.1 148.1 40.0 -2.0 2.7 87 96 A S H >> S+ 0 0 14 1,-0.3 4,-2.6 2,-0.2 3,-1.3 0.748 120.1 47.7 -31.4 -63.1 41.1 -5.6 2.1 88 97 A E H 3>>S+ 0 0 34 1,-0.3 5,-2.3 2,-0.2 4,-1.9 0.828 105.6 59.0 -57.7 -33.0 44.8 -5.2 2.2 89 98 A R H <45S+ 0 0 52 -3,-1.6 6,-2.4 3,-0.2 -1,-0.3 0.839 113.9 40.4 -63.7 -31.9 44.7 -3.1 5.4 90 99 A R H <<5S+ 0 0 27 -3,-1.3 4,-0.5 -4,-1.1 -2,-0.2 0.960 128.8 24.3 -83.1 -54.4 43.0 -6.1 7.0 91 100 A W H <5S+ 0 0 25 -4,-2.6 228,-0.2 3,-0.2 -3,-0.2 0.855 132.2 32.5 -85.5 -31.3 44.9 -9.1 5.6 92 101 A Y T <5S+ 0 0 27 -4,-1.9 -3,-0.2 -5,-0.3 224,-0.1 0.892 130.2 31.8 -89.9 -46.2 48.3 -7.6 4.6 93 102 A Y S - 0 0 42 -2,-0.5 4,-2.5 1,-0.1 5,-0.3 -0.318 24.8-102.9 -82.3 169.8 41.7 -6.0 13.2 97 106 A N H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.922 126.9 51.3 -55.4 -38.0 38.0 -5.5 13.3 98 107 A E H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 107.9 50.4 -66.5 -41.2 38.6 -3.5 16.4 99 108 A I H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 112.3 43.9 -66.1 -46.9 41.3 -1.3 14.8 100 109 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.862 111.2 57.3 -68.3 -30.1 39.3 -0.3 11.7 101 110 A A H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.910 108.1 46.4 -60.8 -48.1 36.3 0.3 14.0 102 111 A D H X S+ 0 0 81 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.886 111.8 51.5 -61.3 -40.8 38.4 2.8 16.0 103 112 A K H X S+ 0 0 32 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 110.0 49.5 -64.0 -40.4 39.5 4.4 12.7 104 113 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.921 111.2 48.4 -64.6 -44.3 35.9 4.7 11.6 105 114 A A H X S+ 0 0 26 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.936 113.7 47.7 -62.2 -44.5 34.8 6.3 14.8 106 115 A A H X S+ 0 0 37 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 110.8 50.0 -62.7 -47.7 37.8 8.7 14.7 107 116 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 -1,-0.2 0.918 111.0 49.3 -57.5 -47.3 37.2 9.7 11.1 108 117 A V H ><5S+ 0 0 10 -4,-2.3 3,-2.1 3,-0.2 -2,-0.2 0.943 109.4 52.5 -59.8 -44.2 33.5 10.4 11.8 109 118 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.910 107.0 52.7 -57.3 -44.6 34.4 12.5 14.9 110 119 A S T 3<5S- 0 0 48 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.409 127.1-102.3 -70.9 -2.7 36.7 14.5 12.7 111 120 A G T < 5 + 0 0 23 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.753 69.8 145.0 90.4 25.5 33.9 15.1 10.3 112 121 A F < - 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0 0 12 -40,-2.9 45,-0.2 -2,-0.7 2,-0.1 -0.908 33.9-136.1-133.6 108.6 24.0 71.1 28.8 1127 168 I P >> - 0 0 0 0, 0.0 3,-2.7 0, 0.0 4,-1.0 -0.426 21.2-132.9 -58.0 126.9 27.6 72.3 28.9 1128 169 I V T 34 S+ 0 0 14 -40,-2.4 3,-0.3 1,-0.3 -39,-0.2 0.837 106.2 57.3 -55.3 -27.9 29.6 69.1 28.1 1129 170 I W T 34 S+ 0 0 18 -41,-0.6 6,-0.3 1,-0.2 -1,-0.3 0.501 103.2 53.1 -79.8 -5.6 31.8 70.0 31.0 1130 171 I A T <> S+ 0 0 0 -3,-2.7 2,-0.7 40,-0.2 4,-0.7 0.647 81.9 102.8-101.5 -20.4 28.9 70.0 33.5 1131 172 I I T < S- 0 0 25 -4,-1.0 -358,-0.1 -3,-0.3 5,-0.0 -0.552 106.3 -22.6 -74.4 108.3 27.5 66.6 32.7 1132 173 I G T 4 S+ 0 0 60 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.401 115.1 98.7 75.5 -0.5 28.4 64.1 35.3 1133 174 I T T 4 S- 0 0 37 -3,-0.4 -2,-0.1 2,-0.2 3,-0.1 0.669 90.3-121.8 -91.4 -20.2 31.4 66.1 36.4 1134 175 I G S < S+ 0 0 62 -4,-0.7 2,-1.0 1,-0.2 -4,-0.1 0.375 78.2 120.0 92.0 -3.3 29.9 67.8 39.5 1135 176 I K - 0 0 68 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.758 46.5-169.1-100.0 94.2 30.7 71.1 37.9 1136 177 I V - 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0 0 1 -21,-2.7 -214,-1.6 -2,-0.6 2,-0.3 0.019 57.5 -51.9-112.0 27.3 9.2 23.3 28.4 1431 230 K G E -p 1216 0F 0 -22,-0.2 -20,-2.7 -216,-0.2 2,-0.3 -0.801 61.8 -84.1 133.4-174.5 11.2 25.6 30.6 1432 231 K F E -pv12171411F 0 -216,-1.3 -214,-2.8 -22,-0.3 2,-0.6 -0.931 5.4-144.1-138.5 152.4 11.9 29.2 31.1 1433 232 K L E -p 1218 0F 3 -22,-1.5 -20,-0.5 -2,-0.3 2,-0.4 -0.991 38.1-166.7-109.8 115.2 14.1 32.2 29.9 1434 233 K V E +p 1219 0F 2 -216,-3.1 -214,-3.0 -2,-0.6 -22,-0.1 -0.943 23.1 165.6-115.0 131.9 14.7 34.0 33.2 1435 234 K G S > S+ 0 0 13 -2,-0.4 3,-1.2 -216,-0.2 4,-0.4 0.770 74.2 25.2-103.8 -81.6 16.1 37.5 33.6 1436 235 K G G > S+ 0 0 42 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.887 123.4 48.0 -54.3 -51.2 15.7 39.1 37.0 1437 236 K A G > S+ 0 0 10 -22,-0.5 3,-1.2 1,-0.3 6,-0.3 0.677 99.4 70.3 -68.4 -12.7 15.5 35.9 39.1 1438 237 K S G < S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.553 90.0 61.1 -81.3 -8.1 18.6 34.5 37.3 1439 238 K L G < S+ 0 0 36 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.441 102.9 64.8 -92.2 -3.7 20.8 37.1 39.0 1440 239 K K S X S- 0 0 68 -3,-1.2 3,-1.5 -4,-0.1 4,-0.1 -0.787 93.8-112.2-116.8 160.7 19.7 35.6 42.4 1441 240 K P T > S+ 0 0 84 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.630 105.4 83.0 -67.6 -10.0 20.3 32.1 43.9 1442 241 K E T 3> + 0 0 38 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.579 68.0 84.6 -70.0 -6.2 16.6 31.4 43.5 1443 242 K F H <> S+ 0 0 0 -3,-1.5 4,-1.9 -6,-0.3 -1,-0.3 0.823 81.9 62.2 -62.0 -29.1 17.5 30.4 40.0 1444 243 K V H <> S+ 0 0 26 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.913 101.0 49.6 -63.8 -40.0 18.3 27.1 41.5 1445 244 K D H > S+ 0 0 88 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.842 108.3 54.7 -65.8 -34.7 14.7 26.6 42.6 1446 245 K I H < S+ 0 0 0 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.881 108.0 48.4 -66.8 -38.2 13.6 27.5 39.1 1447 246 K I H >< S+ 0 0 2 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.910 108.7 53.0 -68.2 -41.9 15.8 24.8 37.7 1448 247 K K H >< S+ 0 0 49 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.822 97.2 69.7 -63.3 -24.8 14.4 22.2 40.2 1449 248 K A T 3< S+ 0 0 8 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.513 83.5 70.7 -70.0 -7.7 10.9 23.2 39.0 1450 249 K T T < 0 0 2 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.095 360.0 360.0 -95.1 17.3 11.5 21.5 35.6 1451 250 K Q < 0 0 130 -3,-1.1 -1,-0.2 -208,-0.1 -2,-0.1 0.923 360.0 360.0 -71.5 360.0 11.4 18.1 37.2