==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-SEP-09 2WSQ . COMPND 2 MOLECULE: TRIOSE PHOSPHATE ISOMERASE, GLYCOSOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR E.RUDINO-PINERA,S.P.ROJAS-TREJO,R.ARREOLA,G.SAAB-RINCON, . 968 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 733 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 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 . 89 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.8 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 5 9 5 5 3 2 1 2 4 3 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 10 8 9 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 4 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 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.2 0.9 4.7 43.9 2 3 A K - 0 0 74 1,-0.1 195,-0.1 218,-0.0 197,-0.1 -0.498 360.0-111.4 -65.3 142.1 0.1 7.4 46.5 3 4 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 194,-0.1 -0.205 56.0 -60.2 -67.9 168.5 -3.4 8.9 46.0 4 5 A Q - 0 0 60 1,-0.1 32,-0.2 193,-0.1 2,-0.1 -0.233 63.9-126.0 -49.4 128.4 -3.8 12.6 44.8 5 6 A P - 0 0 10 0, 0.0 32,-2.7 0, 0.0 2,-0.4 -0.361 17.8-146.9 -76.9 166.9 -2.1 14.9 47.3 6 7 A I E -ab 37 222A 0 215,-1.7 217,-1.7 30,-0.2 2,-0.5 -0.992 8.5-162.6-134.4 141.1 -3.8 17.9 49.0 7 8 A A E -ab 38 223A 0 30,-2.1 32,-2.6 -2,-0.4 2,-0.4 -0.953 20.2-173.5-124.0 104.4 -2.3 21.2 50.2 8 9 A A E -ab 39 224A 1 215,-2.8 217,-3.1 -2,-0.5 2,-0.5 -0.895 10.6-168.7-109.9 133.5 -4.6 22.9 52.7 9 10 A A E -ab 40 225A 0 30,-2.7 32,-3.1 -2,-0.4 2,-0.5 -0.966 4.8-162.2-119.1 114.9 -4.3 26.4 54.2 10 11 A N E -a 41 0A 42 215,-2.2 2,-0.3 -2,-0.5 219,-0.2 -0.855 16.1-156.1 -93.8 133.5 -6.4 27.6 57.2 11 12 A W + 0 0 0 30,-3.1 216,-0.1 -2,-0.5 215,-0.0 -0.822 31.6 150.9-117.3 147.3 -6.4 31.4 57.6 12 13 A K + 0 0 111 -2,-0.3 -1,-0.1 30,-0.1 810,-0.0 0.345 13.5 152.5-156.4 2.0 -7.1 33.5 60.7 13 14 A C - 0 0 33 1,-0.2 3,-0.4 2,-0.1 30,-0.1 -0.217 34.1-152.8 -45.4 127.3 -5.3 36.8 60.5 14 15 A N S S+ 0 0 19 1,-0.2 838,-0.3 879,-0.1 -1,-0.2 0.055 85.4 46.0 -89.7 20.1 -7.3 39.3 62.5 15 16 A G S S+ 0 0 45 837,-0.1 -1,-0.2 836,-0.1 -2,-0.1 -0.090 91.1 70.7-162.5 56.4 -6.0 42.1 60.4 16 17 A S + 0 0 18 -3,-0.4 -2,-0.1 3,-0.1 0, 0.0 0.224 15.0 152.2-133.2-107.8 -6.0 41.7 56.6 17 18 A Q S S+ 0 0 36 1,-0.1 -3,-0.0 -4,-0.1 -1,-0.0 0.935 104.0 33.8 58.1 49.3 -8.7 41.6 53.9 18 19 A Q S > S+ 0 0 117 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.123 110.7 59.5 165.2 -43.6 -6.0 42.9 51.6 19 20 A S H > S+ 0 0 72 2,-0.2 4,-0.7 1,-0.2 -3,-0.1 0.682 116.1 40.5 -72.8 -24.3 -3.1 41.2 53.2 20 21 A L H > S+ 0 0 4 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.731 112.0 53.0 -91.9 -31.1 -5.3 38.2 52.2 21 22 A S H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.810 111.3 47.6 -72.4 -31.8 -6.3 39.5 48.8 22 23 A E H X S+ 0 0 132 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.898 110.5 52.0 -74.9 -40.2 -2.6 40.1 48.0 23 24 A L H X S+ 0 0 15 -4,-0.7 4,-0.9 1,-0.2 -2,-0.2 0.909 108.6 51.6 -59.3 -46.0 -1.8 36.6 49.2 24 25 A I H >X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 3,-1.5 0.928 105.2 53.9 -59.6 -51.9 -4.5 35.2 47.0 25 26 A D H 3X S+ 0 0 62 -4,-1.8 4,-1.1 1,-0.3 -1,-0.2 0.896 104.2 57.1 -48.1 -45.1 -3.2 37.0 43.8 26 27 A L H 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.794 109.9 44.7 -57.2 -32.2 0.1 35.4 44.5 27 28 A F H X< S+ 0 0 1 -3,-1.5 3,-2.1 -4,-0.9 -2,-0.2 0.879 109.2 53.9 -78.5 -46.3 -1.6 31.9 44.4 28 29 A N H 3< S+ 0 0 45 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.684 106.9 55.2 -57.3 -20.4 -3.6 32.8 41.3 29 30 A S T 3< S+ 0 0 93 -4,-1.1 2,-0.5 -5,-0.3 -1,-0.3 0.284 90.4 93.6 -99.0 7.2 -0.1 33.7 39.7 30 31 A T < - 0 0 20 -3,-2.1 2,-0.5 -5,-0.1 -3,-0.0 -0.873 66.3-149.2-102.8 124.6 1.2 30.3 40.5 31 32 A S - 0 0 101 -2,-0.5 2,-0.6 25,-0.1 -2,-0.1 -0.851 14.4-150.2 -91.5 130.8 1.0 27.6 37.8 32 33 A I - 0 0 16 -2,-0.5 4,-0.1 1,-0.2 -2,-0.0 -0.939 14.6-176.0-118.8 114.9 0.7 24.2 39.5 33 34 A N + 0 0 96 -2,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.987 55.8 55.0 -72.0 -73.0 2.2 21.4 37.5 34 35 A H S S- 0 0 31 1,-0.1 2,-0.6 205,-0.0 208,-0.0 -0.032 97.1 -84.2 -67.9 167.9 1.5 18.0 39.2 35 36 A D S S+ 0 0 102 2,-0.0 2,-0.3 207,-0.0 -1,-0.1 -0.666 70.9 136.8 -77.9 114.7 -1.9 16.6 40.3 36 37 A V - 0 0 3 -2,-0.6 2,-0.6 -32,-0.2 -30,-0.2 -0.954 48.8-132.5-156.1 143.2 -2.7 18.1 43.7 37 38 A Q E -a 6 0A 39 -32,-2.7 -30,-2.1 -2,-0.3 2,-0.4 -0.931 23.3-159.5-103.7 116.9 -5.9 19.5 45.3 38 39 A C E -ac 7 59A 0 20,-3.0 22,-1.6 -2,-0.6 2,-0.4 -0.784 7.3-166.4 -96.7 140.2 -5.2 22.8 47.0 39 40 A V E -ac 8 60A 0 -32,-2.6 -30,-2.7 -2,-0.4 2,-0.5 -0.977 10.2-164.7-131.2 132.3 -7.7 24.1 49.6 40 41 A V E -ac 9 61A 0 20,-2.5 22,-2.3 -2,-0.4 -30,-0.2 -0.963 2.0-172.7-119.8 119.7 -8.1 27.5 51.3 41 42 A A E -a 10 0A 0 -32,-3.1 -30,-3.1 -2,-0.5 22,-0.1 -0.827 15.3-179.6-106.3 89.7 -10.1 27.8 54.5 42 43 A P - 0 0 1 0, 0.0 22,-0.3 0, 0.0 -30,-0.1 -0.439 42.9 -78.6 -80.5 164.4 -10.4 31.6 55.1 43 44 A S > - 0 0 4 -30,-0.1 3,-2.8 1,-0.1 4,-0.3 -0.363 47.7-106.5 -59.2 148.8 -12.3 32.9 58.2 44 45 A F G > S+ 0 0 92 778,-1.9 3,-1.3 1,-0.3 4,-0.3 0.806 120.3 59.1 -44.8 -41.0 -16.0 32.8 57.7 45 46 A V G 3 S+ 0 0 47 776,-2.1 -1,-0.3 1,-0.3 4,-0.2 0.565 105.8 48.9 -73.2 -5.5 -16.0 36.6 57.3 46 47 A H G <> S+ 0 0 16 -3,-2.8 4,-2.4 775,-0.2 -1,-0.3 0.347 79.3 99.8-112.1 7.1 -13.7 36.4 54.4 47 48 A L H <> S+ 0 0 11 -3,-1.3 4,-2.0 -4,-0.3 -2,-0.1 0.828 82.5 50.6 -59.4 -41.5 -15.6 33.8 52.5 48 49 A A H > S+ 0 0 67 -4,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.928 113.4 42.3 -62.8 -50.8 -17.2 36.4 50.2 49 50 A M H > S+ 0 0 67 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.890 114.8 52.6 -67.7 -36.5 -14.0 38.2 49.2 50 51 A T H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.953 107.6 48.7 -61.9 -53.8 -12.1 34.8 48.8 51 52 A K H < S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.709 114.7 49.7 -59.6 -22.5 -14.6 33.3 46.4 52 53 A E H < S+ 0 0 126 -4,-0.9 -1,-0.2 -3,-0.1 -2,-0.2 0.860 119.4 33.0 -81.2 -44.4 -14.4 36.6 44.5 53 54 A R H < S+ 0 0 81 -4,-2.4 2,-0.5 -5,-0.1 -2,-0.2 0.594 99.1 90.7 -93.5 -13.6 -10.6 36.8 44.2 54 55 A L < + 0 0 23 -4,-2.5 7,-0.1 -5,-0.2 -29,-0.1 -0.761 34.0 141.8 -91.1 124.9 -9.8 33.0 44.0 55 56 A S + 0 0 93 -2,-0.5 -1,-0.1 5,-0.0 -4,-0.0 0.466 20.2 129.8-136.9 -12.3 -9.7 31.6 40.5 56 57 A H > - 0 0 15 1,-0.2 3,-2.2 2,-0.1 -28,-0.1 -0.299 57.1-137.7 -51.2 120.8 -6.8 29.1 40.4 57 58 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.538 102.0 52.9 -65.2 -7.6 -8.4 25.9 38.8 58 59 A K T 3 S+ 0 0 53 -21,-0.1 -20,-3.0 2,-0.0 2,-0.4 0.276 95.6 86.7-105.2 5.9 -6.5 23.7 41.4 59 60 A F E < -c 38 0A 15 -3,-2.2 2,-0.3 -22,-0.2 -20,-0.2 -0.880 52.4-178.3-116.0 133.1 -7.8 25.7 44.4 60 61 A V E -c 39 0A 42 -22,-1.6 -20,-2.5 -2,-0.4 2,-0.4 -0.944 25.5-119.3-128.8 150.8 -11.1 25.1 46.2 61 62 A I E -c 40 0A 24 -2,-0.3 21,-0.8 -22,-0.2 20,-0.7 -0.813 27.4-170.3 -97.8 136.5 -12.6 27.0 49.2 62 63 A A E -d 82 0A 0 -22,-2.3 2,-0.3 -2,-0.4 21,-0.3 -0.884 16.8-133.2-118.3 147.7 -13.4 25.3 52.5 63 64 A A E -d 83 0A 5 19,-2.3 21,-2.6 -2,-0.3 2,-0.4 -0.689 22.4-130.8 -88.2 157.2 -15.3 26.5 55.6 64 65 A Q E -d 84 0A 15 758,-0.4 21,-0.2 -22,-0.3 -20,-0.1 -0.907 68.7 -24.5-108.3 138.7 -13.8 26.0 59.1 65 66 A N S S+ 0 0 18 19,-2.1 2,-0.2 -2,-0.4 -1,-0.2 0.783 78.8 147.0 29.4 76.7 -15.8 24.4 62.0 66 67 A A + 0 0 15 -3,-0.2 6,-0.1 18,-0.1 -1,-0.1 -0.572 11.5 160.6-139.3 82.8 -19.4 25.2 61.1 67 68 A G + 0 0 19 -2,-0.2 5,-0.5 4,-0.1 4,-0.2 0.403 28.7 98.5 -73.9-143.3 -21.8 22.5 62.2 68 69 A N S > S- 0 0 84 3,-0.2 4,-2.0 2,-0.1 3,-0.3 0.787 76.8-113.1 58.0 118.0 -25.5 23.1 62.5 69 70 A A H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 116.0 52.6 -39.3 -53.1 -27.8 22.0 59.6 70 71 A D H > S+ 0 0 126 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.912 106.5 49.8 -52.6 -52.2 -28.6 25.7 58.7 71 72 A G H > S+ 0 0 26 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.985 114.6 47.7 -65.3 -26.0 -24.9 26.9 58.5 72 80 A L H X S+ 0 0 9 -4,-2.0 4,-2.9 -5,-0.5 5,-0.3 0.898 109.4 53.0 -72.5 -52.6 -24.2 23.7 56.1 73 81 A A H X S+ 0 0 62 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.894 112.7 42.9 -49.3 -48.5 -27.3 24.4 53.9 74 82 A S H X S+ 0 0 68 -4,-2.2 4,-2.1 2,-0.2 -1,-0.3 0.862 112.5 54.1 -69.8 -35.7 -26.2 28.0 53.3 75 83 A L H <>S+ 0 0 6 -4,-2.1 5,-1.7 -5,-0.2 -2,-0.2 0.940 113.1 42.8 -57.2 -50.1 -22.6 27.0 52.8 76 84 A K H ><5S+ 0 0 78 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.785 114.5 49.3 -70.8 -33.1 -23.6 24.5 50.1 77 85 A D H 3<5S+ 0 0 151 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.804 107.5 56.2 -75.8 -29.6 -26.1 26.9 48.5 78 86 A F T 3<5S- 0 0 80 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.470 125.2-105.9 -76.2 -4.4 -23.4 29.5 48.5 79 87 A G T < 5S+ 0 0 42 -3,-0.6 -3,-0.2 1,-0.3 2,-0.2 0.147 74.9 137.0 102.2 -23.0 -21.2 27.1 46.5 80 88 A V < + 0 0 7 -5,-1.7 -1,-0.3 -6,-0.2 -18,-0.1 -0.446 19.6 169.9 -65.6 129.4 -18.8 26.0 49.3 81 89 A N + 0 0 67 -20,-0.7 33,-2.5 -2,-0.2 2,-0.3 0.379 50.6 69.9-125.9 -2.6 -18.2 22.2 49.2 82 90 A W E -de 62 114A 19 -21,-0.8 -19,-2.3 31,-0.2 2,-0.4 -0.913 53.5-173.6-117.5 147.1 -15.3 21.6 51.5 83 91 A I E -de 63 115A 3 31,-2.2 33,-2.7 -2,-0.3 2,-0.5 -1.000 12.8-150.8-140.2 143.1 -15.1 21.8 55.3 84 92 A V E -de 64 116A 3 -21,-2.6 -19,-2.1 -2,-0.4 2,-0.7 -0.953 10.0-156.6-113.5 124.7 -12.2 21.5 57.7 85 93 A L E - e 0 117A 7 31,-2.9 33,-2.6 -2,-0.5 2,-2.1 -0.871 3.4-157.7-107.1 105.7 -13.0 20.2 61.2 86 94 A G E > + e 0 118A 9 -2,-0.7 4,-1.8 1,-0.2 5,-0.2 -0.440 35.5 149.2 -82.2 66.6 -10.4 21.2 63.8 87 95 A H H > + 0 0 0 -2,-2.1 4,-3.0 31,-0.5 5,-0.3 0.887 60.0 61.3 -72.2 -39.1 -11.1 18.4 66.3 88 96 A S H > S+ 0 0 0 30,-1.5 4,-1.7 -3,-0.3 -1,-0.2 0.911 111.5 40.3 -56.1 -44.0 -7.6 18.0 67.8 89 97 A E H > S+ 0 0 64 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.935 115.8 48.3 -71.3 -47.8 -7.7 21.5 69.1 90 98 A R H X>S+ 0 0 21 -4,-1.8 4,-1.9 1,-0.2 6,-1.9 0.849 110.6 53.7 -64.1 -31.5 -11.3 21.6 70.2 91 99 A R H X5S+ 0 0 48 -4,-3.0 4,-0.6 4,-0.3 -1,-0.2 0.931 116.2 37.7 -60.2 -49.1 -10.9 18.3 72.0 92 100 A A H <5S+ 0 0 4 -4,-1.7 682,-1.7 -5,-0.3 -2,-0.2 0.845 127.4 34.1 -75.2 -40.1 -7.9 19.6 74.0 93 101 A Y H <5S+ 0 0 24 -4,-3.2 680,-1.7 679,-0.2 700,-0.4 0.883 135.7 15.5 -81.0 -44.3 -9.2 23.2 74.6 94 102 A Y H <5S- 0 0 61 -4,-1.9 702,-0.2 -5,-0.3 -3,-0.2 0.444 98.3-112.4-117.5 -6.2 -13.0 22.8 75.0 95 103 A G << - 0 0 16 -5,-0.8 -4,-0.3 -4,-0.6 -3,-0.1 0.712 44.5-179.4 80.3 20.1 -13.5 19.1 75.6 96 104 A E - 0 0 33 -6,-1.9 -1,-0.2 -9,-0.1 -2,-0.1 -0.324 26.7-124.6 -52.9 129.3 -15.2 18.4 72.3 97 105 A T > - 0 0 66 1,-0.1 4,-1.6 -7,-0.0 5,-0.1 -0.286 7.0-124.5 -78.9 161.2 -16.0 14.7 72.3 98 106 A N H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.802 112.6 58.4 -72.8 -31.5 -15.0 12.3 69.6 99 107 A E H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 103.7 53.4 -65.4 -36.1 -18.6 11.2 69.1 100 108 A I H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.924 109.1 45.4 -65.6 -48.5 -19.5 14.9 68.3 101 109 A V H X S+ 0 0 2 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.898 110.7 56.2 -61.2 -37.6 -16.8 15.3 65.6 102 110 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.929 106.3 49.8 -56.9 -47.8 -18.0 12.0 64.2 103 111 A D H X S+ 0 0 69 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.891 111.5 48.9 -55.8 -44.0 -21.6 13.3 64.0 104 112 A K H X S+ 0 0 64 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.921 109.9 50.4 -67.0 -42.4 -20.3 16.4 62.1 105 113 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.974 114.3 45.3 -55.3 -56.2 -18.2 14.4 59.7 106 114 A A H X S+ 0 0 27 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 114.4 48.5 -54.7 -43.6 -21.3 12.2 58.9 107 115 A A H X S+ 0 0 45 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.823 112.1 47.9 -70.0 -33.1 -23.6 15.3 58.6 108 116 A A H <>S+ 0 0 2 -4,-2.4 5,-2.3 2,-0.2 3,-0.4 0.933 112.0 49.5 -74.7 -44.6 -21.3 17.2 56.3 109 117 A V H ><5S+ 0 0 11 -4,-2.9 3,-2.2 -5,-0.3 -2,-0.2 0.946 107.8 54.6 -57.0 -48.5 -20.8 14.1 54.1 110 118 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.849 105.9 53.6 -53.1 -35.6 -24.6 13.7 54.0 111 119 A S T 3<5S- 0 0 54 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.456 128.3 -97.6 -80.1 -3.2 -24.9 17.3 52.7 112 120 A G T < 5S+ 0 0 27 -3,-2.2 2,-0.3 -4,-0.4 -3,-0.2 0.704 75.5 143.8 94.2 23.2 -22.5 16.6 49.9 113 121 A F < - 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0 0 72 1,-0.0 195,-0.1 197,-0.0 197,-0.1 -0.778 360.0-121.7-104.2 150.1 -36.3 8.4 90.7 246 4 B P - 0 0 19 0, 0.0 195,-0.1 0, 0.0 194,-0.1 -0.314 60.3 -60.6 -72.7 167.8 -37.8 5.0 91.1 247 5 B Q - 0 0 59 193,-0.1 32,-0.2 1,-0.1 2,-0.1 -0.297 63.6-127.6 -50.2 126.8 -35.4 2.1 92.0 248 6 B P - 0 0 7 0, 0.0 32,-2.4 0, 0.0 2,-0.4 -0.363 18.3-143.7 -76.2 166.2 -32.9 1.7 89.2 249 7 B I E -ij 280 465B 0 215,-2.1 217,-2.1 30,-0.2 2,-0.5 -0.996 13.6-167.2-133.4 138.3 -32.3 -1.5 87.5 250 8 B A E -ij 281 466B 0 30,-1.6 32,-2.0 -2,-0.4 2,-0.4 -0.935 21.2-170.3-120.4 101.1 -29.1 -3.0 86.1 251 9 B A E -ij 282 467B 2 215,-3.1 217,-3.5 -2,-0.5 2,-0.4 -0.845 10.1-151.7-105.6 135.9 -29.9 -6.0 83.9 252 10 B A E -ij 283 468B 1 30,-4.2 32,-3.0 -2,-0.4 2,-0.6 -0.847 0.4-157.4-102.9 132.2 -27.6 -8.6 82.4 253 11 B N E -i 284 0B 33 215,-2.8 2,-0.3 -2,-0.4 219,-0.2 -0.904 14.6-163.8-109.2 106.4 -28.2 -10.5 79.2 254 12 B W + 0 0 5 30,-2.6 216,-0.1 -2,-0.6 215,-0.0 -0.707 30.5 137.2 -99.2 139.3 -26.2 -13.8 79.0 255 13 B K + 0 0 112 -2,-0.3 -1,-0.1 214,-0.1 215,-0.0 0.563 18.9 137.5-147.8 -26.4 -25.6 -15.8 75.8 256 14 B C - 0 0 32 1,-0.1 3,-0.1 2,-0.1 30,-0.1 0.216 35.0-157.9 -30.3 155.6 -22.0 -17.1 75.4 257 15 B N + 0 0 22 391,-0.1 -1,-0.1 1,-0.1 352,-0.1 0.081 69.4 74.6-136.8 26.5 -21.8 -20.7 74.1 258 16 B G S S- 0 0 46 1,-0.1 2,-0.2 351,-0.1 -1,-0.1 -0.042 96.6 -12.5-136.1 36.8 -18.4 -22.0 75.2 259 17 B S - 0 0 8 -3,-0.1 -1,-0.1 2,-0.1 351,-0.1 -0.911 30.5-138.9 162.7-179.4 -18.5 -22.7 79.1 260 18 B Q S > S+ 0 0 76 -2,-0.2 4,-2.0 -3,-0.1 5,-0.1 0.090 96.4 83.2-138.7 -3.1 -20.1 -22.4 82.5 261 19 B Q H > S+ 0 0 133 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.923 93.6 40.5 -68.2 -49.3 -16.6 -21.8 83.8 262 20 B S H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.956 115.7 50.3 -69.0 -49.9 -16.7 -18.1 82.9 263 21 B L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.910 110.0 52.5 -50.0 -49.3 -20.4 -17.7 84.1 264 22 B S H X S+ 0 0 35 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.881 111.2 45.9 -55.5 -44.6 -19.4 -19.4 87.4 265 23 B E H X S+ 0 0 137 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.860 112.4 49.9 -71.3 -37.6 -16.5 -17.0 88.0 266 24 B L H X S+ 0 0 14 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.916 107.8 54.6 -63.4 -42.2 -18.6 -14.0 87.1 267 25 B I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 31,-0.3 0.866 109.6 47.3 -59.0 -39.1 -21.3 -15.1 89.5 268 26 B D H X S+ 0 0 75 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.835 109.6 53.5 -70.9 -33.2 -18.7 -15.3 92.3 269 27 B L H X S+ 0 0 59 -4,-1.7 4,-0.7 1,-0.2 3,-0.5 0.916 112.5 43.9 -67.2 -41.2 -17.4 -11.9 91.4 270 28 B F H >< S+ 0 0 1 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.867 110.3 55.7 -69.3 -35.9 -21.0 -10.6 91.7 271 29 B N H 3< S+ 0 0 41 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.679 111.1 44.9 -70.1 -18.8 -21.5 -12.5 94.9 272 30 B S H 3< S+ 0 0 93 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.519 91.6 105.7-103.0 -10.3 -18.4 -10.8 96.5 273 31 B T << - 0 0 27 -4,-0.7 2,-0.6 -3,-0.6 -3,-0.0 -0.406 66.1-132.5 -73.4 145.0 -19.2 -7.3 95.3 274 32 B S - 0 0 92 -2,-0.1 2,-0.5 0, 0.0 -2,-0.1 -0.894 22.3-175.4-103.2 121.0 -20.5 -4.6 97.7 275 33 B I + 0 0 20 -2,-0.6 4,-0.1 1,-0.2 26,-0.0 -0.973 9.4 170.0-120.1 121.6 -23.6 -2.6 96.5 276 34 B N + 0 0 133 -2,-0.5 -1,-0.2 2,-0.1 3,-0.2 0.911 51.7 71.4 -95.9 -68.3 -24.8 0.2 98.7 277 35 B H S S- 0 0 34 1,-0.2 2,-0.8 205,-0.1 208,-0.1 0.180 97.4 -86.2 -50.0 164.6 -27.4 2.3 96.9 278 36 B D + 0 0 100 2,-0.0 2,-0.3 207,-0.0 -1,-0.2 -0.680 69.5 144.5 -79.5 109.9 -30.9 0.9 96.2 279 37 B V - 0 0 3 -2,-0.8 2,-0.7 -32,-0.2 -30,-0.2 -0.990 43.8-141.1-148.6 137.0 -30.7 -1.0 92.9 280 38 B Q E -i 249 0B 37 -32,-2.4 -30,-1.6 -2,-0.3 2,-0.2 -0.884 21.8-161.4-100.9 110.2 -32.3 -4.2 91.5 281 39 B C E -ik 250 302B 0 20,-3.1 22,-1.2 -2,-0.7 2,-0.4 -0.635 5.8-165.8 -86.5 148.4 -29.8 -6.2 89.6 282 40 B V E -ik 251 303B 0 -32,-2.0 -30,-4.2 -2,-0.2 2,-0.5 -0.995 9.7-166.3-140.1 130.7 -31.1 -8.9 87.1 283 41 B V E -ik 252 304B 0 20,-2.1 22,-2.0 -2,-0.4 -30,-0.2 -0.965 1.2-171.6-120.3 116.8 -29.3 -11.7 85.4 284 42 B A E +i 253 0B 0 -32,-3.0 -30,-2.6 -2,-0.5 22,-0.1 -0.835 16.1 179.2-109.2 93.1 -31.0 -13.5 82.4 285 43 B P - 0 0 1 0, 0.0 22,-0.1 0, 0.0 5,-0.1 -0.209 42.2 -71.1 -81.7-175.9 -28.8 -16.5 81.5 286 44 B S >> - 0 0 5 1,-0.1 3,-1.7 -30,-0.1 4,-0.6 -0.424 48.4-110.1 -71.6 155.4 -29.6 -19.0 78.8 287 45 B F G >4 S+ 0 0 81 292,-1.2 3,-1.3 1,-0.3 4,-0.4 0.881 121.2 54.5 -51.8 -39.4 -32.5 -21.3 79.5 288 46 B V G 34 S+ 0 0 55 290,-1.7 4,-0.3 1,-0.3 -1,-0.3 0.672 108.6 48.5 -75.9 -16.6 -30.1 -24.2 79.9 289 47 B H G <> S+ 0 0 9 -3,-1.7 4,-2.5 289,-0.2 -1,-0.3 0.347 82.2 98.3 -94.1 3.7 -28.1 -22.2 82.5 290 48 B L H S+ 0 0 60 -4,-0.4 4,-1.9 2,-0.2 5,-0.2 0.965 114.4 47.1 -62.9 -52.1 -30.6 -24.0 87.2 292 50 B M H > S+ 0 0 33 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.915 114.2 48.1 -53.4 -50.4 -26.9 -23.5 87.7 293 51 B T H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.892 108.2 54.2 -59.5 -44.3 -27.4 -19.7 88.0 294 52 B K H < S+ 0 0 90 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.967 113.8 39.6 -59.6 -54.3 -30.2 -19.9 90.5 295 53 B E H < S+ 0 0 166 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.903 122.1 41.9 -60.3 -46.1 -28.3 -22.1 93.0 296 54 B R H < S+ 0 0 53 -4,-2.2 2,-0.5 -5,-0.2 -2,-0.2 0.835 96.1 80.1 -75.4 -39.2 -24.9 -20.4 92.6 297 55 B L < + 0 0 22 -4,-3.0 -29,-0.1 -5,-0.2 7,-0.1 -0.606 47.7 157.4 -73.5 118.5 -26.0 -16.7 92.5 298 56 B S + 0 0 88 -2,-0.5 -1,-0.1 -31,-0.3 -30,-0.0 0.444 20.5 128.2-121.9 -2.6 -26.6 -15.6 96.1 299 57 B H > - 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0 0 3 34,-0.5 -1,-0.1 -2,-0.1 44,-0.0 -0.548 40.1-115.5 -63.6 138.2 -7.1 49.1 72.0 900 179 D T > - 0 0 55 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.319 29.8-108.1 -65.2 158.7 -6.1 52.6 73.1 901 180 D P H > S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.908 124.0 53.8 -58.8 -31.3 -7.7 53.6 76.4 902 181 D Q H > S+ 0 0 128 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.967 109.9 46.1 -65.9 -49.3 -9.9 56.0 74.4 903 182 D Q H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.924 115.8 44.9 -57.3 -49.8 -11.0 53.1 72.1 904 183 D A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.951 115.4 47.4 -61.6 -51.7 -11.7 50.7 74.9 905 184 D Q H X S+ 0 0 33 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.886 108.2 54.4 -57.6 -44.5 -13.6 53.4 77.0 906 185 D E H X S+ 0 0 131 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.921 114.8 39.3 -58.3 -47.9 -15.7 54.6 74.1 907 186 D T H X S+ 0 0 5 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.911 114.3 52.6 -69.3 -43.0 -17.0 51.0 73.3 908 187 D H H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.907 112.9 46.7 -58.4 -41.0 -17.4 50.0 77.0 909 188 D A H X S+ 0 0 33 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.861 109.7 53.6 -65.8 -37.9 -19.5 53.3 77.5 910 189 D L H X S+ 0 0 46 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.920 113.1 43.6 -62.4 -46.4 -21.5 52.5 74.4 911 190 D I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.932 113.4 48.6 -68.4 -49.6 -22.3 49.1 75.9 912 191 D R H X S+ 0 0 31 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.855 110.8 52.2 -59.3 -40.5 -23.0 50.2 79.4 913 192 D S H X S+ 0 0 69 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.858 108.7 49.2 -62.3 -38.3 -25.3 53.0 78.1 914 193 D W H X S+ 0 0 44 -4,-1.7 4,-3.3 2,-0.2 5,-0.4 0.941 112.8 49.1 -68.9 -43.8 -27.4 50.5 75.9 915 194 D V H X>S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-1.9 0.927 111.7 49.5 -59.9 -44.0 -27.7 48.2 79.0 916 195 D S H <5S+ 0 0 47 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.939 118.7 37.0 -61.0 -49.0 -28.8 51.1 81.1 917 196 D S H <5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 127.5 33.8 -74.4 -38.7 -31.5 52.3 78.7 918 197 D K H <5S+ 0 0 141 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.643 135.2 18.7 -94.4 -14.9 -32.7 48.9 77.4 919 198 D I T <5S- 0 0 31 -4,-2.4 2,-0.3 -5,-0.4 -3,-0.2 0.728 116.8 -64.4-117.3 -63.8 -32.3 46.9 80.6 920 199 D G >< - 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0 0 44 -2,-0.2 4,-1.9 20,-0.1 5,-0.2 -0.917 52.5 -87.6-148.6 176.1 -0.2 43.1 79.5 937 216 D G T 4 S+ 0 0 20 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.742 123.1 48.4 -61.8 -22.6 1.3 44.3 82.8 938 217 D K T >4 S+ 0 0 169 2,-0.1 3,-0.7 1,-0.1 4,-0.5 0.972 116.9 33.9 -80.8 -60.4 2.2 47.6 81.1 939 218 D N T 3> S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.654 102.0 77.7 -74.7 -14.5 -1.0 48.7 79.4 940 219 D A H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.812 87.8 60.3 -64.3 -34.0 -3.4 47.2 82.0 941 220 D R H <> S+ 0 0 156 -3,-0.7 4,-1.2 -4,-0.4 -1,-0.2 0.941 110.0 37.5 -60.7 -49.5 -2.8 50.1 84.4 942 221 D T H > S+ 0 0 49 -4,-0.5 4,-0.6 2,-0.2 -2,-0.2 0.912 114.9 54.8 -75.3 -39.8 -4.0 52.9 82.1 943 222 D L H >< S+ 0 0 3 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.914 105.5 53.0 -60.5 -42.2 -6.9 50.8 80.7 944 223 D Y H 3< S+ 0 0 13 -4,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.854 96.7 66.8 -61.7 -35.3 -8.3 50.1 84.1 945 224 D Q H 3< S+ 0 0 117 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.724 78.0 107.2 -62.6 -21.4 -8.3 53.8 85.0 946 225 D Q S X< S- 0 0 55 -3,-1.3 3,-1.8 -4,-0.6 -44,-0.0 -0.347 80.3-122.6 -62.4 136.8 -11.0 54.3 82.4 947 226 D R T 3 S+ 0 0 182 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.790 106.0 38.2 -51.4 -40.4 -14.4 54.9 83.9 948 227 D D T 3 S+ 0 0 14 -217,-0.1 2,-0.6 -20,-0.0 -1,-0.3 0.225 91.4 104.6-103.0 17.5 -16.3 52.0 82.2 949 228 D V < + 0 0 0 -3,-1.8 -19,-0.2 -5,-0.3 3,-0.1 -0.856 37.8 173.6-101.8 120.8 -13.5 49.4 82.4 950 229 D N - 0 0 2 -21,-2.4 -215,-1.9 -2,-0.6 2,-0.3 0.193 57.3 -56.7-113.4 20.0 -13.9 46.7 85.1 951 230 D G E -z 735 0D 0 -22,-0.3 -20,-2.3 -217,-0.2 2,-0.3 -0.915 61.2 -73.4 141.7-163.3 -11.1 44.3 84.4 952 231 D F E -zf 736 931D 0 -217,-1.8 -215,-2.7 -2,-0.3 2,-0.5 -0.926 3.8-147.6-139.9 153.3 -9.5 42.1 81.8 953 232 D L E -zf 737 932D 6 -22,-2.4 -20,-0.9 -2,-0.3 2,-0.5 -0.989 35.5-168.6-110.4 121.3 -9.6 39.0 79.7 954 233 D V E +z 738 0D 0 -217,-2.6 -215,-3.5 -2,-0.5 -22,-0.1 -0.929 20.5 164.8-122.6 119.3 -6.0 38.0 79.1 955 234 D G S >> S+ 0 0 33 -2,-0.5 3,-2.9 -217,-0.2 4,-0.5 0.698 74.8 15.8 -89.2-100.9 -4.6 35.4 76.7 956 235 D G G >4 S+ 0 0 55 1,-0.3 3,-1.7 2,-0.2 -215,-0.1 0.847 126.8 50.7 -39.6 -56.1 -0.8 35.4 75.9 957 236 D A G >4 S+ 0 0 12 -22,-0.4 3,-0.7 1,-0.3 -1,-0.3 0.594 97.7 71.0 -66.1 -8.3 0.3 37.6 78.8 958 237 D S G <4 S+ 0 0 0 -3,-2.9 -1,-0.3 -219,-0.2 -2,-0.2 0.659 88.1 62.3 -81.0 -18.5 -1.7 35.4 81.3 959 238 D L G << S+ 0 0 51 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.1 0.163 99.4 71.6 -89.2 16.9 0.8 32.5 80.9 960 239 D K S X S- 0 0 108 -3,-0.7 3,-1.4 -208,-0.0 4,-0.1 -0.856 95.0-109.6-128.7 161.7 3.5 34.8 82.3 961 240 D P T > S+ 0 0 87 0, 0.0 3,-2.4 0, 0.0 4,-0.4 0.727 106.6 81.4 -67.2 -19.6 4.2 36.1 85.8 962 241 D E T 3> + 0 0 46 1,-0.3 4,-1.5 2,-0.2 3,-0.2 0.556 68.5 85.8 -65.8 -2.7 3.1 39.6 84.7 963 242 D F H <> S+ 0 0 0 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.838 82.7 60.3 -63.5 -29.5 -0.4 38.4 85.2 964 243 D V H <> S+ 0 0 27 -3,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.875 101.2 50.6 -65.7 -39.4 0.2 39.5 88.7 965 244 D D H > S+ 0 0 96 -4,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.838 107.6 54.6 -64.3 -32.3 0.7 43.0 87.5 966 245 D I H < S+ 0 0 0 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.918 110.3 46.1 -67.0 -41.9 -2.5 42.7 85.6 967 246 D I H >< S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.951 111.8 49.2 -63.1 -52.2 -4.3 41.8 88.8 968 247 D K H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.771 102.0 67.6 -61.2 -19.6 -2.7 44.5 90.9 969 248 D A T 3< S+ 0 0 14 -4,-1.2 2,-1.3 1,-0.2 -1,-0.3 0.571 73.4 91.8 -76.0 -12.8 -3.7 46.9 88.1 970 249 D T < 0 0 1 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.1 -0.291 360.0 360.0 -82.6 51.4 -7.5 46.5 88.9 971 250 D Q 0 0 113 -2,-1.3 -1,-0.2 -3,-0.1 -2,-0.1 0.231 360.0 360.0-159.5 360.0 -7.6 49.5 91.3