==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 13-AUG-09 3IO4 . COMPND 2 MOLECULE: MALTOSE-BINDING PROTEIN, HUNTINGTIN FUSION . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12, HOMO SAPIENS; . AUTHOR M.W.KIM,Y.CHELLIAH,S.W.KIM,Z.OTWINOWSKI,I.BEZPROZVANNY . 1212 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 833 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 7.8 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 64 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.7 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 6 1 6 3 2 8 6 4 2 0 2 4 1 0 0 0 0 1 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 6 4 1 1 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 PARALLEL BRIDGES PER LADDER . 11 8 5 4 1 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 . 5 4 2 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 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 1 A K 0 0 112 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 43.6 -23.1 -18.7 18.9 2 2 A I - 0 0 45 1,-0.2 53,-0.1 53,-0.1 268,-0.1 -0.926 360.0 -41.1 139.5-103.7 -19.8 -20.7 18.3 3 3 A E - 0 0 25 -2,-0.4 3,-0.2 3,-0.0 -1,-0.2 0.703 38.7-168.1-124.9 -68.7 -17.0 -19.9 15.7 4 4 A E S S- 0 0 156 1,-0.2 -2,-0.0 -3,-0.1 266,-0.0 0.942 88.7 -1.3 58.5 55.9 -17.9 -18.7 12.1 5 5 A G S S+ 0 0 32 28,-0.0 -1,-0.2 29,-0.0 -2,-0.0 -0.249 120.2 67.3 140.3 -49.7 -14.4 -19.1 10.6 6 6 A K S S- 0 0 94 -3,-0.2 -3,-0.0 27,-0.1 30,-0.0 0.936 78.2-141.4 -73.7 -53.3 -11.9 -20.2 13.2 7 7 A L - 0 0 2 28,-0.1 29,-1.5 1,-0.1 2,-0.6 0.844 6.4-151.8 82.9 99.3 -12.8 -23.9 14.2 8 8 A V B -a 36 0A 14 48,-0.2 50,-2.1 27,-0.2 51,-1.0 -0.897 16.2-166.1-100.2 119.4 -12.5 -24.9 17.9 9 9 A I B -b 59 0B 3 27,-1.9 29,-0.4 -2,-0.6 2,-0.3 -0.711 3.2-152.9-100.8 154.1 -11.8 -28.6 18.3 10 10 A W + 0 0 20 49,-1.7 2,-0.3 -2,-0.3 29,-0.2 -0.900 20.1 155.6-123.1 158.3 -12.1 -30.7 21.4 11 11 A I - 0 0 11 27,-2.0 2,-0.3 -2,-0.3 51,-0.1 -0.921 43.3 -67.7-163.2-174.7 -10.4 -33.9 22.6 12 12 A N > - 0 0 37 -2,-0.3 3,-2.0 27,-0.1 5,-0.2 -0.693 30.8-131.8 -97.9 136.1 -9.4 -35.9 25.6 13 13 A G T 3 S+ 0 0 44 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.639 106.3 53.9 -57.2 -20.1 -6.7 -34.8 28.2 14 14 A D T 3 S+ 0 0 98 2,-0.1 2,-0.3 3,-0.0 -1,-0.3 0.548 98.2 78.7 -91.5 -13.1 -5.0 -38.1 28.1 15 15 A K S < S- 0 0 41 -3,-2.0 2,-1.5 1,-0.0 3,-0.1 -0.779 95.2 -96.4-104.9 148.1 -4.5 -38.2 24.4 16 16 A G > + 0 0 3 -2,-0.3 4,-1.1 277,-0.2 281,-0.2 -0.377 43.8 166.6 -66.5 86.3 -1.9 -36.3 22.3 17 17 A Y H > + 0 0 72 -2,-1.5 4,-5.0 1,-0.2 -1,-0.2 0.670 69.3 75.7 -69.9 -17.3 -3.7 -33.2 21.2 18 18 A N H > S+ 0 0 69 2,-0.3 4,-4.0 1,-0.2 5,-0.3 0.981 93.7 45.4 -55.7 -63.1 -0.2 -31.9 20.2 19 19 A G H > S+ 0 0 0 274,-0.3 4,-0.8 273,-0.3 274,-0.3 0.911 118.6 47.2 -47.4 -44.4 0.1 -34.0 17.1 20 20 A L H >X S+ 0 0 9 -4,-1.1 3,-1.8 2,-0.2 4,-1.6 0.970 111.2 48.0 -57.2 -58.2 -3.4 -32.8 16.5 21 21 A A H 3X S+ 0 0 34 -4,-5.0 4,-1.7 1,-0.3 -2,-0.2 0.852 107.6 58.6 -51.3 -39.2 -2.4 -29.2 17.3 22 22 A E H 3X S+ 0 0 108 -4,-4.0 4,-0.7 1,-0.2 -1,-0.3 0.672 105.2 48.6 -65.5 -23.1 0.6 -29.6 15.0 23 23 A V H X>S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 3,-1.5 0.912 106.1 60.6 -73.6 -45.4 -3.8 -26.7 7.9 28 28 A E H 3X5S+ 0 0 51 -4,-1.6 4,-1.6 1,-0.3 -2,-0.2 0.783 99.2 57.0 -52.4 -33.6 -3.6 -23.0 8.6 29 29 A K H 3<5S+ 0 0 145 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.728 108.5 45.8 -76.1 -21.6 -0.6 -22.6 6.3 30 30 A D H <45S+ 0 0 90 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.927 135.1 10.1 -82.4 -50.2 -2.5 -24.0 3.3 31 31 A T H <5S- 0 0 78 -4,-1.8 -3,-0.2 2,-0.1 -2,-0.2 0.470 100.9-116.0-113.5 -8.9 -5.7 -22.2 3.5 32 32 A G << + 0 0 44 -4,-1.6 2,-0.5 -5,-0.5 -4,-0.2 0.752 65.8 137.2 84.4 28.3 -4.8 -19.6 6.2 33 33 A I - 0 0 55 -6,-0.3 2,-0.3 -9,-0.1 -1,-0.2 -0.928 47.2-135.7-120.6 119.2 -7.3 -20.7 8.9 34 34 A K - 0 0 73 -2,-0.5 2,-0.4 -6,-0.1 -9,-0.1 -0.528 17.6-165.3 -79.4 128.3 -6.3 -21.0 12.6 35 35 A V - 0 0 10 -11,-0.4 2,-0.5 -2,-0.3 -27,-0.2 -0.945 2.0-165.0-115.8 130.5 -7.4 -24.0 14.5 36 36 A T B -a 8 0A 52 -29,-1.5 -27,-1.9 -2,-0.4 2,-0.1 -0.963 7.1-154.3-118.9 119.2 -7.4 -24.2 18.3 37 37 A V - 0 0 32 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.393 9.2-164.1 -81.6 164.4 -7.7 -27.6 20.1 38 38 A E - 0 0 88 -29,-0.4 -27,-2.0 -2,-0.1 -2,-0.0 -0.953 17.6-164.4-152.1 132.2 -9.1 -27.9 23.7 39 39 A H + 0 0 78 -2,-0.3 2,-0.1 -29,-0.2 -27,-0.1 -0.609 24.8 176.3-113.6 70.9 -9.0 -30.7 26.2 40 40 A P - 0 0 22 0, 0.0 3,-0.5 0, 0.0 -27,-0.2 -0.481 35.5-105.8 -76.4 147.9 -11.6 -29.7 28.7 41 41 A D S S+ 0 0 133 1,-0.2 5,-0.1 -2,-0.1 -29,-0.0 -0.442 97.5 8.1 -72.1 145.3 -12.4 -32.1 31.6 42 42 A K > + 0 0 124 -2,-0.1 4,-1.4 1,-0.1 3,-0.3 0.950 69.1 162.5 44.0 65.9 -15.7 -34.0 31.4 43 43 A L H > + 0 0 2 -3,-0.5 4,-4.0 2,-0.2 -2,-0.1 0.794 66.5 73.7 -75.2 -28.0 -16.6 -33.0 27.8 44 44 A E H 4 S+ 0 0 40 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.757 111.4 28.0 -53.6 -30.4 -19.0 -35.9 27.7 45 45 A E H > S+ 0 0 85 -3,-0.3 4,-0.9 2,-0.1 -1,-0.2 0.728 122.8 53.8 -97.7 -34.7 -21.3 -33.9 30.0 46 46 A K H >X S+ 0 0 87 -4,-1.4 4,-1.7 2,-0.2 3,-0.7 0.946 103.4 53.7 -65.0 -54.0 -20.0 -30.5 28.8 47 47 A F H 3X S+ 0 0 0 -4,-4.0 4,-3.6 1,-0.2 5,-0.3 0.880 103.4 56.0 -53.0 -48.3 -20.6 -31.0 25.1 48 48 A P H 3> S+ 0 0 32 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.846 108.1 49.4 -51.4 -39.7 -24.4 -32.0 25.5 49 49 A Q H X>S+ 0 0 44 -4,-1.7 5,-1.0 1,-0.2 3,-0.7 0.857 113.7 54.5 -81.2 -36.1 -23.4 -26.5 24.8 51 51 A A H 3<5S+ 0 0 1 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 0.624 106.1 58.5 -68.7 -12.7 -24.5 -28.6 21.7 52 52 A A H 3<5S+ 0 0 28 -4,-0.5 723,-0.7 -5,-0.3 -1,-0.2 0.696 107.9 41.7 -87.1 -23.6 -28.0 -28.1 23.1 53 53 A T H <<5S- 0 0 63 -3,-0.7 -2,-0.2 -4,-0.5 721,-0.1 0.420 122.1 -99.3-104.4 -1.0 -28.0 -24.3 23.0 54 54 A G T <5S+ 0 0 12 -4,-0.7 -3,-0.2 1,-0.4 -4,-0.1 0.137 92.8 97.3 107.1 -17.3 -26.2 -24.0 19.7 55 55 A D < + 0 0 66 -5,-1.0 -1,-0.4 -6,-0.2 214,-0.1 -0.081 41.4 86.4 -90.8-171.0 -22.7 -23.4 21.0 56 56 A G S S- 0 0 16 -3,-0.1 2,-0.2 -5,-0.1 -48,-0.2 -0.699 78.0 -22.1 121.1-169.3 -19.7 -25.7 21.6 57 57 A P - 0 0 1 0, 0.0 210,-0.4 0, 0.0 -48,-0.2 -0.590 49.9-133.8 -73.7 142.7 -16.7 -27.1 19.7 58 58 A D S S+ 0 0 1 -50,-2.1 209,-2.1 -2,-0.2 2,-0.3 0.953 93.9 23.6 -59.3 -49.7 -17.0 -27.2 15.9 59 59 A I E S-bC 9 266B 2 -51,-1.0 -49,-1.7 207,-0.2 2,-0.3 -0.931 75.5-154.2-124.7 149.5 -15.7 -30.8 16.0 60 60 A I E - C 0 265B 2 205,-3.2 205,-2.0 -2,-0.3 2,-0.3 -0.799 0.7-154.1-125.4 157.7 -15.7 -33.5 18.7 61 61 A F E + C 0 264B 12 -2,-0.3 2,-0.3 203,-0.2 203,-0.2 -0.816 34.4 113.4-144.7 94.7 -13.6 -36.6 19.6 62 62 A W E - C 0 263B 54 201,-1.5 201,-4.4 -2,-0.3 2,-0.2 -0.954 68.8 -74.9-145.8 170.3 -14.6 -39.7 21.6 63 63 A A E > - C 0 262B 14 199,-0.4 3,-1.2 -2,-0.3 4,-0.5 -0.502 54.4-115.4 -56.7 137.0 -15.1 -43.4 21.3 64 64 A H T 3> S+ 0 0 0 197,-2.7 4,-0.7 1,-0.3 -1,-0.1 0.423 98.6 95.4 -67.1 -2.2 -18.4 -43.8 19.5 65 65 A D T 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.526 96.4 35.4 -67.6 -5.3 -20.0 -45.4 22.5 66 66 A R T X> S+ 0 0 81 -3,-1.2 3,-1.4 2,-0.1 4,-1.3 0.677 97.8 78.9-110.3 -33.9 -21.3 -41.9 23.4 67 67 A F H 3> S+ 0 0 1 -4,-0.5 4,-2.9 1,-0.3 5,-0.2 0.639 86.4 65.4 -50.4 -21.0 -21.9 -40.6 19.8 68 68 A G H 3X S+ 0 0 0 -4,-0.7 4,-1.3 2,-0.2 -1,-0.3 0.936 103.6 43.1 -66.7 -49.9 -25.2 -42.6 19.9 69 69 A G H <> S+ 0 0 31 -3,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.739 116.2 52.4 -65.8 -24.7 -26.6 -40.4 22.7 70 70 A Y H ><>S+ 0 0 4 -4,-1.3 5,-1.7 2,-0.2 3,-1.2 0.982 111.7 40.2 -72.5 -62.3 -25.2 -37.4 20.8 71 71 A A H 3<5S+ 0 0 14 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.685 107.9 66.5 -62.9 -19.1 -26.7 -38.1 17.3 72 72 A Q H 3<5S+ 0 0 50 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.819 100.0 47.5 -71.8 -35.8 -29.9 -39.1 19.1 73 73 A S T <<5S- 0 0 46 -3,-1.2 709,-0.4 -4,-0.7 708,-0.3 0.410 124.8-114.4 -79.5 -0.7 -30.5 -35.6 20.3 74 74 A G T 5S+ 0 0 22 -3,-0.4 -3,-0.2 -4,-0.3 -2,-0.1 0.574 76.0 134.4 83.3 15.1 -29.7 -34.8 16.7 75 75 A L < + 0 0 10 -5,-1.7 193,-2.6 703,-0.1 194,-0.3 0.739 45.7 76.9 -74.4 -27.2 -26.5 -33.0 17.5 76 76 A L B S-F 267 0C 14 191,-0.2 2,-0.2 -9,-0.2 191,-0.2 -0.615 76.0-124.2 -93.8 146.8 -24.1 -34.5 14.9 77 77 A A - 0 0 12 189,-1.9 2,-0.3 -2,-0.2 189,-0.3 -0.611 25.1-108.8 -91.3 145.9 -24.0 -33.6 11.2 78 78 A E - 0 0 131 -2,-0.2 2,-0.2 26,-0.1 26,-0.2 -0.547 35.7-138.8 -75.0 131.7 -24.4 -36.0 8.3 79 79 A I - 0 0 19 24,-1.4 24,-0.2 -2,-0.3 -1,-0.1 -0.621 12.8-157.9 -95.1 148.0 -21.1 -36.6 6.4 80 80 A T + 0 0 98 -2,-0.2 2,-0.9 2,-0.0 -2,-0.0 -0.613 23.0 164.5-121.6 70.3 -20.6 -36.8 2.7 81 81 A P - 0 0 8 0, 0.0 5,-0.3 0, 0.0 -2,-0.1 -0.805 41.5-123.5 -85.7 107.9 -17.3 -38.7 2.3 82 82 A D >> - 0 0 99 -2,-0.9 4,-1.5 3,-0.1 3,-1.3 0.101 29.6 -90.4 -49.9 161.7 -17.5 -39.8 -1.4 83 83 A K H 3> S+ 0 0 142 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.815 130.0 56.4 -40.8 -39.0 -17.3 -43.4 -2.5 84 84 A A H 3> S+ 0 0 51 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.871 103.2 51.7 -62.0 -44.1 -13.5 -42.9 -2.7 85 85 A F H X> S+ 0 0 18 -3,-1.3 3,-0.9 1,-0.2 4,-0.7 0.905 106.6 53.9 -60.7 -45.0 -13.1 -41.7 0.9 86 86 A Q H >< S+ 0 0 67 -4,-1.5 3,-0.8 -5,-0.3 -1,-0.2 0.859 100.9 58.4 -62.5 -40.5 -14.9 -44.7 2.4 87 87 A D H 3< S+ 0 0 82 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.667 96.5 62.7 -66.8 -20.7 -12.7 -47.3 0.7 88 88 A K H << S+ 0 0 111 -3,-0.9 217,-2.5 -4,-0.6 2,-0.3 0.809 99.2 62.9 -74.8 -31.0 -9.5 -46.0 2.3 89 89 A L B << S-G 304 0D 3 -3,-0.8 215,-0.2 -4,-0.7 214,-0.1 -0.686 107.3 -85.3 -92.5 151.6 -10.9 -46.8 5.8 90 90 A Y >> - 0 0 43 213,-2.0 3,-1.1 -2,-0.3 4,-0.8 -0.228 36.6-123.3 -56.6 138.6 -11.6 -50.4 6.8 91 91 A P G >4 S+ 0 0 103 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.862 110.6 45.7 -53.5 -39.2 -15.1 -51.5 5.7 92 92 A F G >4 S+ 0 0 45 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.654 94.0 76.0 -82.5 -18.6 -16.1 -52.4 9.3 93 93 A T G X4 S+ 0 0 1 -3,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.854 91.8 57.6 -58.8 -36.3 -14.7 -49.2 10.9 94 94 A W G X< S+ 0 0 12 -4,-0.8 3,-2.2 -3,-0.5 -1,-0.3 0.728 87.7 75.9 -66.4 -25.8 -17.7 -47.4 9.5 95 95 A D G < S+ 0 0 39 -3,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.676 88.0 60.4 -63.8 -18.1 -20.1 -49.8 11.4 96 96 A A G < S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.340 105.6 52.1 -88.1 5.9 -19.3 -47.9 14.6 97 97 A V S < S+ 0 0 0 -3,-2.2 7,-0.8 1,-0.1 8,-0.5 -0.321 75.7 92.4-145.1 59.5 -20.7 -44.7 13.1 98 98 A R - 0 0 77 -3,-0.4 2,-0.5 5,-0.3 3,-0.4 -0.473 43.2-174.8-149.7 80.1 -24.2 -44.9 11.6 99 99 A Y S S- 0 0 42 3,-0.2 3,-0.3 1,-0.2 76,-0.1 -0.615 73.3 -17.1 -75.5 122.6 -27.1 -44.0 13.9 100 100 A N S S- 0 0 88 -2,-0.5 2,-2.3 1,-0.2 -1,-0.2 0.948 127.7 -43.1 44.4 83.8 -30.5 -44.5 12.1 101 101 A G S S+ 0 0 68 73,-0.5 -1,-0.2 -3,-0.4 -2,-0.0 -0.491 120.8 84.0 74.0 -75.9 -29.6 -44.8 8.4 102 102 A K S S- 0 0 108 -2,-2.3 2,-0.4 -3,-0.3 -3,-0.2 -0.211 78.1-118.2 -75.9 148.2 -27.1 -41.9 8.2 103 103 A L - 0 0 46 -24,-0.2 -24,-1.4 -5,-0.2 -5,-0.3 -0.665 26.8-174.3 -83.6 129.9 -23.4 -41.9 9.1 104 104 A I + 0 0 11 -7,-0.8 162,-0.3 -2,-0.4 2,-0.2 0.109 52.4 8.4-122.3 23.6 -22.5 -39.5 11.9 105 105 A A - 0 0 0 -8,-0.5 160,-0.2 160,-0.1 -1,-0.2 -0.862 66.8-102.8 173.0 155.7 -18.7 -39.4 12.4 106 106 A Y E -D 264 0B 7 158,-2.5 158,-3.3 -2,-0.2 2,-0.2 -0.857 39.3-132.1 -93.3 122.2 -15.3 -40.3 11.1 107 107 A P E +D 263 0B 0 0, 0.0 156,-0.3 0, 0.0 3,-0.1 -0.477 31.7 168.1 -70.6 141.3 -13.7 -43.2 13.0 108 108 A I E + 0 0 9 154,-2.5 195,-3.1 1,-0.3 2,-0.6 0.666 55.6 24.5-117.7 -77.8 -10.1 -42.7 14.2 109 109 A A E -DE 262 302B 0 153,-1.4 153,-2.4 193,-0.2 2,-0.4 -0.864 60.5-167.5-107.1 121.8 -8.6 -45.2 16.6 110 110 A V E + E 0 301B 1 191,-1.8 191,-1.1 -2,-0.6 2,-0.3 -0.817 14.9 163.0-100.6 143.4 -9.9 -48.7 17.0 111 111 A E + 0 0 45 -2,-0.4 149,-1.5 189,-0.1 2,-0.3 -0.836 10.5 177.2-165.2 133.9 -8.9 -50.9 19.9 112 112 A A - 0 0 0 208,-0.3 212,-0.2 -2,-0.3 211,-0.1 -0.891 42.5 -76.8-129.8 157.3 -10.1 -54.1 21.6 113 113 A L - 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0 0 101 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.331 24.8-157.6 -55.9 128.9 0.2 -43.8 21.1 299 299 A L - 0 0 11 1,-0.3 2,-0.2 -9,-0.1 -5,-0.1 0.428 22.9-141.6 -89.6 -0.0 -3.1 -44.1 19.2 300 300 A G - 0 0 13 -6,-0.1 -1,-0.3 -191,-0.1 2,-0.2 -0.543 64.4 -8.5 71.5-141.0 -3.4 -47.9 19.4 301 301 A A E S-E 110 0B 1 -191,-1.1 -191,-1.8 -2,-0.2 2,-0.3 -0.640 77.6-137.3 -89.7 150.3 -4.8 -49.4 16.2 302 302 A V E -E 109 0B 0 -193,-0.3 -193,-0.2 -2,-0.2 -194,-0.1 -0.843 15.1-133.0-121.0 148.1 -6.1 -47.1 13.4 303 303 A A S S+ 0 0 1 -195,-3.1 -213,-2.0 -2,-0.3 2,-0.3 0.621 78.2 94.1 -67.1 -17.6 -9.0 -47.0 11.0 304 304 A L B > -G 89 0D 7 -196,-0.3 4,-1.3 -215,-0.2 -215,-0.2 -0.636 68.3-142.2 -88.3 137.8 -6.9 -46.1 7.9 305 305 A K H > S+ 0 0 78 -217,-2.5 4,-2.0 -2,-0.3 5,-0.1 0.922 97.3 49.2 -49.3 -51.7 -5.7 -48.8 5.5 306 306 A S H > S+ 0 0 48 -218,-0.3 4,-1.3 2,-0.2 3,-0.4 0.976 115.2 32.0 -61.1 -77.6 -2.4 -46.9 5.0 307 307 A Y H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.713 115.6 63.1 -62.8 -21.9 -0.9 -46.0 8.4 308 308 A E H X S+ 0 0 4 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.973 105.1 43.3 -61.7 -55.4 -2.4 -49.1 9.8 309 309 A E H < S+ 0 0 115 -4,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.700 112.2 55.0 -67.3 -20.4 -0.3 -51.4 7.5 310 310 A E H >< S+ 0 0 100 -4,-1.3 3,-0.8 2,-0.1 -1,-0.2 0.900 115.7 37.8 -73.1 -43.4 2.8 -49.2 8.2 311 311 A L H >< S+ 0 0 29 -4,-2.0 3,-2.5 1,-0.2 7,-0.3 0.697 94.9 85.1 -78.9 -23.7 2.3 -49.7 12.0 312 312 A A T 3< S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.636 73.0 77.0 -53.9 -16.0 1.2 -53.3 11.4 313 313 A K T < S+ 0 0 190 -3,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.904 76.6 89.2 -57.7 -42.5 5.0 -53.9 11.5 314 314 A D S <> S- 0 0 49 -3,-2.5 4,-1.7 -4,-0.1 -3,-0.0 -0.372 71.2-153.2 -57.2 128.2 4.6 -53.6 15.2 315 315 A P H > S+ 0 0 105 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.899 91.7 48.1 -73.4 -44.4 3.9 -57.0 16.8 316 316 A R H > S+ 0 0 97 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.804 114.4 48.2 -69.5 -29.0 2.0 -55.9 19.9 317 317 A I H >> S+ 0 0 24 -6,-0.2 3,-1.5 2,-0.2 4,-0.9 0.954 102.3 60.6 -70.5 -53.6 -0.2 -53.5 17.8 318 318 A A H >X S+ 0 0 37 -4,-1.7 4,-1.8 1,-0.3 3,-0.7 0.793 97.1 61.4 -46.7 -38.9 -1.1 -56.1 15.1 319 319 A A H 3X S+ 0 0 9 -4,-1.1 4,-2.5 1,-0.3 -1,-0.3 0.867 96.9 57.5 -58.0 -41.8 -2.8 -58.3 17.7 320 320 A T H S- 0 0 22 1,-0.1 3,-2.5 -265,-0.1 4,-0.2 -0.688 72.2-120.3 -88.3 139.3 -27.9 -47.5 21.4 334 334 A P T > S+ 0 0 55 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.608 106.6 70.5 -56.7 -18.6 -28.9 -46.3 25.0 335 335 A Q T >> S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 3,-1.2 0.596 77.2 83.3 -72.6 -12.0 -30.1 -49.7 26.1 336 336 A M H <> S+ 0 0 9 -3,-2.5 4,-3.1 1,-0.3 -1,-0.2 0.875 80.9 62.5 -58.2 -39.1 -26.5 -50.8 26.1 337 337 A S H <> S+ 0 0 71 -3,-0.8 4,-1.2 -4,-0.2 -1,-0.3 0.731 106.9 44.6 -58.8 -27.4 -26.1 -49.4 29.6 338 338 A A H <> S+ 0 0 0 -3,-1.2 4,-2.7 -4,-0.2 5,-0.3 0.917 109.9 52.5 -81.8 -52.4 -28.8 -51.9 30.8 339 339 A F H X S+ 0 0 6 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.944 109.2 54.2 -41.2 -57.0 -27.3 -54.9 29.0 340 340 A W H X S+ 0 0 62 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.916 112.9 38.7 -43.1 -63.3 -24.0 -54.0 30.6 341 341 A Y H X S+ 0 0 61 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.830 117.1 48.8 -64.3 -36.7 -25.3 -54.0 34.2 342 342 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.823 111.8 48.1 -79.0 -33.3 -27.7 -57.0 33.9 343 343 A V H X S+ 0 0 13 -4,-2.7 4,-1.9 -5,-0.3 5,-0.2 0.940 109.7 55.1 -64.2 -48.9 -25.0 -59.1 32.2 344 344 A R H X S+ 0 0 84 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.863 106.0 54.4 -47.4 -43.6 -22.7 -58.0 35.1 345 345 A T H X S+ 0 0 11 -4,-1.7 4,-1.9 1,-0.2 5,-0.2 0.982 107.2 47.0 -55.0 -62.9 -25.3 -59.3 37.5 346 346 A A H X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.862 110.8 48.6 -54.6 -48.9 -25.6 -62.8 36.1 347 347 A V H X S+ 0 0 9 -4,-1.9 4,-3.4 1,-0.2 -1,-0.2 0.945 111.2 48.5 -61.0 -49.9 -22.0 -63.7 35.9 348 348 A I H < S+ 0 0 18 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 118.4 42.3 -61.7 -34.4 -21.0 -62.5 39.4 349 349 A N H ><>S+ 0 0 1 -4,-1.9 5,-1.2 -5,-0.2 6,-1.0 0.826 115.5 50.1 -76.3 -34.4 -23.9 -64.5 40.7 350 350 A A H ><5S+ 0 0 4 -4,-2.8 3,-2.2 1,-0.3 5,-0.2 0.932 107.6 49.7 -75.1 -48.1 -23.3 -67.5 38.5 351 351 A A T 3<5S+ 0 0 22 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.1 0.281 99.7 72.0 -73.4 11.8 -19.6 -67.9 39.3 352 352 A S T < 5S- 0 0 65 -3,-0.7 -1,-0.3 3,-0.2 -2,-0.2 0.470 102.7-132.0 -94.3 -8.3 -20.8 -67.7 42.9 353 353 A G T < 5S+ 0 0 61 -3,-2.2 -3,-0.2 2,-0.3 3,-0.1 0.629 86.7 107.1 61.2 13.2 -22.3 -71.2 42.5 354 354 A R S > - 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0 0 16 -71,-2.0 -69,-0.1 -2,-0.2 -1,-0.1 -0.574 37.3-120.4 -66.6 106.6 -56.8 -34.3 14.2 750 331 B P - 0 0 8 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.277 15.6-151.7 -56.4 128.0 -55.9 -37.8 15.3 751 332 B N + 0 0 9 -234,-0.2 -263,-0.4 -264,-0.1 -264,-0.1 0.641 59.5 116.3 -73.7 -16.9 -58.5 -38.9 17.8 752 333 B I S > S- 0 0 20 1,-0.1 3,-1.6 -265,-0.1 4,-0.3 -0.156 76.1-123.2 -55.5 144.8 -56.0 -41.3 19.4 753 334 B P T > S+ 0 0 38 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.594 103.1 81.1 -69.1 -10.9 -55.1 -40.5 23.1 754 335 B Q T >> S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 3,-0.9 0.738 79.1 69.9 -62.0 -24.8 -51.4 -40.3 22.0 755 336 B M H <> S+ 0 0 8 -3,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.873 82.2 68.9 -63.4 -40.0 -52.1 -36.8 20.8 756 337 B S H <> S+ 0 0 86 -3,-0.7 4,-0.9 -4,-0.3 -1,-0.2 0.788 106.6 42.4 -49.3 -32.0 -52.5 -35.5 24.4 757 338 B A H <> S+ 0 0 17 -3,-0.9 4,-2.5 -4,-0.4 3,-0.3 0.947 104.5 61.1 -78.3 -58.1 -48.8 -36.1 24.7 758 339 B F H X S+ 0 0 6 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.804 101.6 58.9 -34.4 -44.0 -47.7 -34.7 21.3 759 340 B W H X S+ 0 0 68 -4,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.973 109.7 37.8 -54.0 -63.6 -49.2 -31.4 22.5 760 341 B Y H X S+ 0 0 58 -4,-0.9 4,-2.4 -3,-0.3 5,-0.2 0.898 117.6 51.2 -57.1 -46.7 -47.0 -31.0 25.6 761 342 B A H X S+ 0 0 7 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.881 117.3 38.6 -62.2 -41.9 -43.9 -32.4 23.8 762 343 B V H X S+ 0 0 12 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.864 111.7 59.6 -75.9 -36.4 -44.3 -30.1 20.8 763 344 B R H X S+ 0 0 68 -4,-3.4 4,-1.4 -5,-0.3 -2,-0.2 0.878 109.3 43.3 -57.0 -41.2 -45.4 -27.2 23.1 764 345 B T H X S+ 0 0 22 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.830 110.5 57.3 -72.3 -32.4 -42.1 -27.5 24.9 765 346 B A H X S+ 0 0 11 -4,-1.1 4,-1.7 -5,-0.2 -2,-0.2 0.775 107.6 46.5 -70.6 -28.0 -40.3 -27.8 21.6 766 347 B V H X S+ 0 0 15 -4,-1.9 4,-1.0 2,-0.2 5,-0.3 0.858 107.1 57.1 -79.5 -38.3 -41.7 -24.5 20.3 767 348 B I H < S+ 0 0 58 -4,-1.4 6,-0.2 -5,-0.2 -2,-0.2 0.780 117.4 35.6 -62.2 -29.3 -40.8 -22.6 23.6 768 349 B N H X S+ 0 0 7 -4,-1.2 4,-1.3 2,-0.1 6,-1.2 0.839 101.4 76.4 -89.4 -41.5 -37.2 -23.6 23.1 769 350 B A H < S+ 0 0 5 -4,-1.7 3,-0.3 1,-0.3 7,-0.2 0.855 117.7 12.3 -37.1 -65.5 -36.9 -23.5 19.3 770 351 B A T < S+ 0 0 31 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.395 111.4 84.9-100.0 0.9 -36.7 -19.7 19.0 771 352 B S T 4 S- 0 0 74 -3,-0.3 -2,-0.2 -5,-0.3 -1,-0.2 0.749 92.1-134.1 -65.9 -26.3 -36.1 -19.1 22.8 772 353 B G S < S+ 0 0 45 -4,-1.3 -1,-0.1 2,-0.5 -4,-0.1 -0.111 85.2 107.0 89.4 -33.3 -32.4 -19.7 22.1 773 354 B R S S+ 0 0 98 -6,-0.2 2,-0.3 -719,-0.1 -4,-0.1 0.722 95.5 3.9 -46.3 -25.4 -32.6 -22.0 25.2 774 355 B Q S S- 0 0 36 -6,-1.2 -2,-0.5 -721,-0.1 2,-0.3 -0.889 83.1-105.3-149.9 179.7 -32.3 -24.8 22.6 775 356 B T > - 0 0 32 -723,-0.7 4,-2.5 -2,-0.3 5,-0.2 -0.768 27.1-111.0-114.6 159.3 -31.8 -25.2 18.8 776 357 B V H >> S+ 0 0 20 -2,-0.3 4,-2.3 -7,-0.2 3,-0.8 0.959 115.1 37.9 -46.6 -75.9 -34.1 -26.3 15.9 777 358 B D H 3> S+ 0 0 57 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.877 121.4 46.5 -45.6 -48.8 -32.6 -29.7 15.1 778 359 B A H 3> S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.747 110.9 52.1 -72.5 -26.8 -32.1 -30.5 18.8 779 360 B A H X S+ 0 0 20 -4,-3.4 3,-1.1 1,-0.2 4,-0.6 0.906 109.2 44.0 -62.7 -44.7 -43.1 -38.2 22.4 788 369 B A H >X S+ 0 0 61 -4,-2.0 3,-0.8 1,-0.2 4,-0.6 0.864 110.3 58.1 -62.6 -36.9 -42.1 -41.8 22.2 789 370 B A H 3X S+ 0 0 23 -4,-0.8 4,-0.6 -5,-0.2 -1,-0.2 0.406 96.8 65.0 -74.9 2.1 -41.1 -41.5 25.8 790 371 B M H <> S+ 0 0 14 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.740 81.0 71.6 -98.0 -28.3 -44.5 -40.4 26.7 791 372 B A H X S+ 0 0 2 -4,-1.4 3,-0.6 2,-0.2 4,-0.5 0.876 107.0 51.3 -79.0 -44.0 -56.2 -49.8 36.8 803 384 B L H >X S+ 0 0 24 -4,-2.2 4,-3.0 1,-0.2 3,-0.9 0.872 107.7 56.7 -57.6 -39.4 -55.0 -50.1 40.4 804 385 B K H 3X S+ 0 0 119 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.774 103.1 52.9 -60.8 -32.5 -57.8 -47.7 41.2 805 386 B S H << S+ 0 0 31 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.479 117.7 36.3 -88.1 -3.4 -60.4 -50.1 39.7 806 387 B F H S+ 0 0 20 -3,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.857 111.7 48.3 -69.0 -40.0 -63.4 -53.2 45.0 810 391 B Q H X S+ 0 0 63 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.885 109.1 53.2 -63.9 -41.5 -61.0 -53.7 47.9 811 392 B Q H X S+ 0 0 131 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.842 109.3 48.4 -59.7 -38.5 -62.4 -50.4 49.4 812 393 B Q H < S+ 0 0 92 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.703 112.1 49.2 -74.0 -24.8 -66.0 -51.8 49.0 813 394 B Q H < S+ 0 0 112 -4,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.561 103.4 64.3 -85.0 -13.1 -64.7 -55.0 50.7 814 395 B Q H < S+ 0 0 125 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.774 91.9 59.5 -80.9 -30.5 -63.2 -52.7 53.4 815 396 B Q < 0 0 160 -4,-0.9 -1,-0.2 0, 0.0 -2,-0.1 0.642 360.0 360.0 -70.0 -15.4 -66.5 -51.4 54.7 816 397 B Q 0 0 199 -3,-0.2 -2,-0.1 -4,-0.1 -3,-0.1 0.598 360.0 360.0 50.5 360.0 -67.5 -55.1 55.5 817 !* 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 0.0 818 1 C K 0 0 107 0, 0.0 2,-1.2 0, 0.0 54,-0.2 0.000 360.0 360.0 360.0 89.4 -26.9 -80.7 44.7 819 2 C I - 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0 0 49 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.431 27.0-126.4 -66.5 137.3 -68.8 -75.7 20.7 1072 255 C S - 0 0 7 -7,-0.5 -6,-0.1 -8,-0.2 -2,-0.0 0.927 31.1-166.9 -56.6 -79.0 -68.2 -73.8 24.0 1073 256 C K - 0 0 54 -143,-0.1 -94,-0.2 71,-0.1 2,-0.2 0.714 6.2-163.7 88.9 115.9 -64.6 -74.5 25.2 1074 257 C P - 0 0 0 0, 0.0 71,-0.6 0, 0.0 2,-0.3 -0.540 38.7 -73.8-108.9-179.8 -62.9 -73.9 28.6 1075 258 C F B -o 1145 0a 0 -103,-0.3 -145,-0.4 -2,-0.2 71,-0.2 -0.600 47.4-144.1 -77.7 142.1 -59.3 -73.7 29.8 1076 259 C V - 0 0 0 69,-1.2 71,-0.3 -2,-0.3 -147,-0.2 -0.462 4.9-151.5 -98.7 171.8 -57.6 -77.0 30.1 1077 260 C G - 0 0 15 -149,-0.3 2,-0.3 -2,-0.2 -151,-0.1 -0.532 8.8-167.4-151.2 78.1 -55.0 -78.1 32.7 1078 261 C V - 0 0 1 -151,-0.2 -197,-2.8 69,-0.1 2,-0.3 -0.518 16.7-139.9 -68.7 122.2 -52.5 -80.7 31.7 1079 262 C L E +CD 880 926S 42 -153,-3.5 -154,-3.8 -2,-0.3 -153,-0.8 -0.669 36.1 179.3 -73.0 139.5 -50.5 -82.2 34.6 1080 263 C S E -CD 879 924S 0 -201,-4.0 -201,-2.1 -2,-0.3 2,-0.5 -0.970 31.2-130.6-151.1 162.0 -46.9 -82.6 33.4 1081 264 C A E +CD 878 923S 0 -158,-3.0 -158,-2.8 -2,-0.3 -203,-0.2 -0.943 26.6 177.5-122.1 111.6 -43.4 -83.7 34.3 1082 265 C G E -C 877 0S 0 -205,-0.6 -205,-1.4 -2,-0.5 2,-0.5 -0.458 24.3-117.4-102.6 177.8 -40.3 -81.5 33.6 1083 266 C I - 0 0 7 -162,-0.5 -189,-4.3 -189,-0.5 -207,-0.2 -0.970 22.0-117.6-126.6 122.1 -36.6 -81.9 34.3 1084 267 C N B -F 893 0T 5 -2,-0.5 -191,-0.2 -209,-0.4 6,-0.2 -0.269 22.2-136.0 -44.4 122.7 -34.3 -79.7 36.6 1085 268 C A S S+ 0 0 25 -193,-2.0 -1,-0.2 1,-0.2 -192,-0.1 0.792 108.3 45.3 -58.8 -27.7 -31.6 -78.2 34.3 1086 269 C A S S+ 0 0 31 -194,-0.3 -1,-0.2 -214,-0.2 -211,-0.1 0.902 78.2 122.6 -77.6 -46.1 -29.1 -79.1 37.0 1087 270 C S > - 0 0 0 -213,-0.3 3,-1.2 1,-0.2 -268,-0.1 0.145 49.0-160.9 -26.7 92.7 -30.5 -82.6 37.5 1088 271 C P T 3 S+ 0 0 54 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.579 82.1 67.2 -62.6 -12.5 -27.2 -84.6 36.8 1089 272 C N T > + 0 0 4 1,-0.2 3,-1.6 2,-0.1 2,-0.7 0.877 58.2 135.4 -79.2 -39.4 -29.2 -87.7 36.2 1090 273 C K T X> + 0 0 62 -3,-1.2 4,-1.4 1,-0.3 3,-1.3 0.085 68.0 57.6 33.7 -73.9 -31.0 -86.6 33.1 1091 274 C E H 3> S+ 0 0 142 -2,-0.7 4,-0.8 -3,-0.3 -1,-0.3 0.682 107.1 50.8 -53.0 -23.1 -30.4 -89.9 31.2 1092 275 C L H <> S+ 0 0 44 -3,-1.6 4,-1.3 2,-0.1 -1,-0.3 0.694 102.7 59.5 -90.5 -24.9 -32.2 -91.7 34.0 1093 276 C A H <> S+ 0 0 0 -3,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.982 108.0 41.0 -68.1 -58.1 -35.3 -89.4 33.9 1094 277 C K H X S+ 0 0 71 -4,-1.4 4,-3.1 1,-0.2 5,-0.3 0.963 112.6 54.6 -56.0 -59.0 -36.4 -90.0 30.3 1095 278 C E H X>S+ 0 0 65 -4,-0.8 4,-1.5 1,-0.2 5,-0.5 0.836 112.8 46.1 -39.1 -45.8 -35.6 -93.7 30.5 1096 279 C F H X>S+ 0 0 4 -4,-1.3 4,-1.6 -3,-0.2 5,-1.2 0.948 119.4 36.8 -65.4 -55.7 -37.9 -93.8 33.5 1097 280 C L H X>S+ 0 0 0 -4,-2.6 4,-1.2 3,-0.2 5,-0.8 0.993 113.0 61.1 -59.7 -62.0 -40.8 -91.7 32.1 1098 281 C E H <5S- 0 0 28 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.766 130.5 -5.7 -27.5 -61.3 -40.4 -93.2 28.6 1099 282 C N H <5S+ 0 0 89 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.550 133.1 51.1-127.5 -12.3 -41.1 -96.8 29.4 1100 283 C Y H < S- 0 0 54 -3,-0.1 4,-1.4 -4,-0.1 5,-0.2 -0.557 101.6 -81.8-105.5-176.7 -47.3 -97.6 29.7 1104 287 C D H > S+ 0 0 65 -2,-0.2 4,-3.8 1,-0.2 3,-0.5 0.954 130.8 50.1 -41.2 -55.2 -50.7 -98.8 30.8 1105 288 C E H > S+ 0 0 115 2,-0.3 4,-4.3 1,-0.3 5,-0.3 0.899 102.1 54.5 -59.1 -57.4 -49.0 -99.7 34.1 1106 289 C G H 4 S+ 0 0 3 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.836 120.8 37.0 -46.6 -35.1 -47.2 -96.4 35.0 1107 290 C L H >X S+ 0 0 8 -4,-1.4 4,-2.3 -3,-0.5 3,-0.8 0.910 115.8 52.9 -82.8 -48.4 -50.6 -94.8 34.5 1108 291 C E H 3X S+ 0 0 89 -4,-3.8 4,-2.0 -5,-0.2 5,-0.2 0.912 104.0 58.6 -47.2 -50.7 -52.6 -97.8 36.1 1109 292 C A H 3X S+ 0 0 12 -4,-4.3 4,-0.7 1,-0.2 -1,-0.2 0.767 109.8 41.6 -58.8 -31.8 -50.4 -97.6 39.2 1110 293 C V H <> S+ 0 0 13 -3,-0.8 4,-3.0 -4,-0.5 3,-0.3 0.883 107.7 61.6 -82.1 -39.8 -51.4 -94.0 39.9 1111 294 C N H < S+ 0 0 35 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.882 102.3 50.6 -52.1 -46.6 -55.1 -94.6 39.0 1112 295 C K H < S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.862 120.4 37.2 -60.4 -37.2 -55.5 -97.1 41.8 1113 296 C D H < S+ 0 0 59 -4,-0.7 -2,-0.2 -3,-0.3 -280,-0.2 0.981 136.9 7.3 -74.0 -70.4 -53.9 -94.7 44.3 1114 297 C K S < S- 0 0 81 -4,-3.0 2,-1.1 -281,-0.2 -1,-0.3 -0.970 78.1-125.6-118.9 121.7 -55.3 -91.4 43.0 1115 298 C P - 0 0 101 0, 0.0 2,-0.8 0, 0.0 -4,-0.1 -0.575 23.9-164.0 -68.6 100.7 -58.0 -91.3 40.2 1116 299 C L - 0 0 24 -2,-1.1 -189,-0.1 1,-0.2 -5,-0.1 -0.824 16.8-139.1 -84.1 111.3 -56.5 -89.0 37.6 1117 300 C G S S+ 0 0 19 -2,-0.8 2,-0.3 -191,-0.1 -1,-0.2 0.874 72.5 0.6 -35.1 -85.3 -59.5 -88.1 35.4 1118 301 C A E -E 927 0S 0 -191,-1.1 -191,-1.0 -3,-0.1 2,-0.3 -0.737 67.0-152.4-107.7 158.2 -58.1 -88.2 31.9 1119 302 C V E -E 926 0S 0 -2,-0.3 -193,-0.2 -193,-0.2 6,-0.1 -0.986 19.5-132.8-131.3 147.3 -54.6 -89.1 30.7 1120 303 C A S S+ 0 0 0 -195,-1.5 2,-1.3 -2,-0.3 -213,-1.2 0.682 77.1 106.1 -71.4 -19.2 -52.8 -88.0 27.5 1121 304 C L B > -G 906 0U 7 -196,-0.4 4,-4.0 -215,-0.2 -215,-0.3 -0.505 61.8-156.3 -67.3 94.2 -51.6 -91.5 26.7 1122 305 C K H > S+ 0 0 72 -2,-1.3 4,-2.4 -217,-1.1 -1,-0.2 0.820 91.2 52.2 -36.4 -48.5 -53.9 -92.3 23.8 1123 306 C S H > S+ 0 0 64 -218,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.974 117.6 33.3 -53.8 -64.2 -53.4 -96.0 24.5 1124 307 C Y H >> S+ 0 0 8 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.820 116.3 58.5 -69.8 -32.0 -54.3 -95.9 28.3 1125 308 C E H 3X S+ 0 0 5 -4,-4.0 4,-1.3 1,-0.2 3,-0.4 0.981 99.2 56.0 -57.1 -58.5 -56.9 -93.1 27.7 1126 309 C E H 3< S+ 0 0 127 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.685 106.5 57.4 -47.9 -20.2 -58.9 -95.1 25.3 1127 310 C E H X< S+ 0 0 100 -3,-0.6 3,-1.0 -4,-0.5 -1,-0.2 0.944 106.5 40.1 -80.5 -54.4 -59.1 -97.7 28.1 1128 311 C L H >< S+ 0 0 23 -4,-1.4 3,-2.2 -3,-0.4 6,-0.2 0.556 92.7 94.7 -72.1 -7.4 -60.7 -95.7 31.0 1129 312 C A T 3< + 0 0 32 -4,-1.3 6,-0.4 1,-0.3 -1,-0.2 0.644 61.0 78.9 -58.8 -21.6 -63.0 -94.1 28.3 1130 313 C K T < S+ 0 0 169 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.1 0.667 77.9 85.6 -65.3 -16.3 -65.7 -96.8 29.1 1131 314 C D S X> S- 0 0 44 -3,-2.2 4,-1.8 1,-0.1 3,-0.8 -0.820 75.8-155.1 -78.5 117.3 -66.3 -94.5 32.0 1132 315 C P H 3> S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.857 88.3 66.8 -62.8 -39.0 -68.6 -91.8 30.6 1133 316 C R H 3> S+ 0 0 64 1,-0.2 4,-0.8 2,-0.2 -4,-0.1 0.752 109.3 40.2 -54.3 -26.7 -67.6 -89.2 33.1 1134 317 C I H <> S+ 0 0 10 -3,-0.8 4,-2.6 -6,-0.2 5,-0.3 0.921 106.4 58.0 -87.5 -55.6 -64.2 -89.2 31.5 1135 318 C A H X S+ 0 0 42 -4,-1.8 4,-2.0 -6,-0.4 -2,-0.2 0.811 109.9 50.0 -46.0 -34.1 -65.1 -89.5 27.7 1136 319 C A H X S+ 0 0 5 -4,-2.0 4,-2.6 -75,-0.2 -1,-0.3 0.923 109.4 48.8 -70.3 -49.0 -67.0 -86.2 28.3 1137 320 C T H X S+ 0 0 3 -4,-0.8 4,-2.0 -3,-0.3 -2,-0.2 0.932 114.9 45.5 -53.2 -51.3 -64.1 -84.5 30.0 1138 321 C M H X S+ 0 0 8 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.890 110.3 52.5 -63.9 -45.1 -61.7 -85.5 27.2 1139 322 C E H X S+ 0 0 76 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.939 110.8 50.0 -52.5 -48.4 -64.1 -84.5 24.5 1140 323 C N H < S+ 0 0 5 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.847 112.0 46.7 -59.2 -38.7 -64.3 -81.1 26.3 1141 324 C A H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.914 107.7 55.0 -72.7 -43.1 -60.6 -80.8 26.4 1142 325 C Q H 3< S+ 0 0 104 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.887 115.1 40.7 -55.5 -40.3 -60.1 -81.8 22.7 1143 326 C K T 3< S+ 0 0 89 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.045 107.5 107.2 -92.4 25.8 -62.5 -79.0 21.8 1144 327 C G S < S- 0 0 15 -3,-2.2 2,-0.4 -71,-0.1 -69,-0.1 -0.817 76.2-109.5-123.0 147.8 -60.9 -76.8 24.4 1145 328 C E B -o 1075 0a 32 -71,-0.6 -69,-1.2 -2,-0.3 2,-0.4 -0.567 38.8-126.4 -69.5 118.0 -58.7 -73.7 24.6 1146 329 C I - 0 0 26 -2,-0.4 -71,-0.1 -71,-0.2 -1,-0.1 -0.568 26.6-118.2 -65.1 120.5 -55.3 -74.8 26.1 1147 330 C M - 0 0 20 -2,-0.4 -69,-0.1 -71,-0.3 -1,-0.1 -0.452 33.3-129.1 -63.1 129.3 -54.6 -72.7 29.1 1148 331 C P - 0 0 4 0, 0.0 -263,-0.1 0, 0.0 -1,-0.1 -0.209 10.7-150.9 -75.9 173.2 -51.4 -70.7 28.4 1149 332 C N + 0 0 12 -264,-0.1 -263,-0.2 -265,-0.1 -264,-0.1 0.473 54.9 117.3-122.4 -8.1 -48.3 -70.5 30.7 1150 333 C I S > S- 0 0 9 1,-0.1 3,-2.8 -265,-0.1 4,-0.3 -0.467 75.6-113.7 -70.7 131.8 -46.9 -67.0 29.8 1151 334 C P T >> S+ 0 0 20 0, 0.0 3,-2.9 0, 0.0 4,-0.5 0.683 108.6 72.4 -35.1 -44.7 -46.9 -64.6 32.9 1152 335 C Q H >> S+ 0 0 34 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.680 86.2 67.8 -51.5 -21.7 -49.5 -62.2 31.3 1153 336 C M H <> S+ 0 0 11 -3,-2.8 4,-1.0 1,-0.2 -1,-0.3 0.800 89.5 61.6 -69.5 -30.4 -52.1 -64.8 32.0 1154 337 C S H <4 S+ 0 0 76 -3,-2.9 4,-0.5 -4,-0.3 -1,-0.2 0.730 108.6 45.4 -64.0 -20.5 -51.6 -64.2 35.7 1155 338 C A H S+ 0 0 20 -4,-0.5 4,-1.3 -3,-0.3 -2,-0.2 0.885 115.4 49.9 -58.0 -43.5 -57.8 -59.9 37.4 1159 342 C A H X S+ 0 0 2 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.864 118.3 36.7 -66.0 -39.6 -58.8 -58.1 34.2 1160 343 C V H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.849 108.6 61.5 -85.6 -38.4 -61.5 -60.5 33.2 1161 344 C R H X S+ 0 0 84 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.889 107.1 49.4 -51.3 -42.3 -62.9 -61.2 36.7 1162 345 C T H X S+ 0 0 8 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.918 106.5 52.4 -65.2 -49.8 -63.7 -57.5 36.9 1163 346 C A H X S+ 0 0 5 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.885 111.7 49.6 -54.4 -41.1 -65.5 -57.3 33.5 1164 347 C V H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.936 111.9 44.1 -64.0 -53.3 -67.7 -60.2 34.6 1165 348 C I H < S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.835 113.2 54.4 -64.7 -32.6 -68.8 -58.9 38.0 1166 349 C N H >X>S+ 0 0 19 -4,-2.4 5,-2.3 1,-0.2 6,-1.1 0.911 111.6 41.1 -67.4 -46.5 -69.4 -55.4 36.4 1167 350 C A H 3<5S+ 0 0 10 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.810 108.5 63.1 -69.8 -29.7 -71.8 -56.7 33.7 1168 351 C A T 3<5S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.2 -145,-0.2 0.272 111.7 38.0 -76.8 12.7 -73.3 -59.0 36.3 1169 352 C S T <45S- 0 0 79 -3,-1.0 -1,-0.2 3,-0.3 -2,-0.2 0.461 105.6-116.6-134.8 -14.8 -74.4 -55.8 38.2 1170 353 C G T <5S+ 0 0 56 -4,-0.6 -3,-0.2 -3,-0.5 3,-0.1 0.816 77.5 132.3 64.1 31.2 -75.4 -53.4 35.5 1171 354 C R S - 0 0 26 -702,-2.0 4,-2.5 -2,-0.3 5,-0.2 -0.412 32.5-109.4 -89.4 166.6 -72.3 -52.5 30.0 1174 357 C V H >> S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 3,-0.9 0.983 119.6 43.3 -48.0 -72.4 -70.9 -55.5 28.1 1175 358 C D H 3> S+ 0 0 61 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.743 116.1 51.1 -50.9 -30.5 -69.1 -53.4 25.4 1176 359 C A H 3> S+ 0 0 0 -705,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.852 109.1 49.1 -77.6 -38.0 -67.9 -51.1 28.1 1177 360 C A H << S+ 0 0 2 -4,-2.5 -2,-0.2 -3,-0.9 -3,-0.1 0.940 114.9 41.8 -65.3 -47.4 -66.4 -53.8 30.3 1178 361 C L H >X S+ 0 0 13 -4,-2.0 3,-1.1 2,-0.2 4,-1.1 0.870 113.0 46.0 -78.5 -47.0 -64.5 -55.6 27.7 1179 362 C A H 3< S+ 0 0 16 -4,-1.2 4,-0.4 1,-0.3 -1,-0.2 0.772 117.6 49.8 -65.7 -24.2 -62.9 -53.0 25.5 1180 363 C A T 3X S+ 0 0 20 -4,-0.7 4,-1.1 -688,-0.3 -1,-0.3 0.369 98.5 67.4 -92.8 1.7 -62.0 -51.4 28.9 1181 364 C A H <> S+ 0 0 4 -3,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.784 91.3 60.7 -84.4 -31.6 -60.6 -54.8 30.0 1182 365 C Q H X S+ 0 0 49 -4,-1.1 4,-2.2 2,-0.2 5,-0.2 0.803 102.0 54.3 -60.9 -32.4 -57.8 -54.5 27.5 1183 366 C T H > S+ 0 0 42 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.992 110.9 43.8 -59.2 -60.6 -56.8 -51.3 29.4 1184 367 C N H X S+ 0 0 15 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.768 114.0 53.3 -54.5 -31.6 -56.6 -53.4 32.7 1185 368 C A H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 3,-0.3 0.965 111.1 41.3 -71.6 -57.1 -54.8 -56.2 30.9 1186 369 C A H X S+ 0 0 61 -4,-2.2 4,-1.7 1,-0.2 5,-0.3 0.894 110.8 61.2 -54.9 -42.1 -52.0 -54.1 29.4 1187 370 C A H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.866 110.1 39.1 -57.1 -42.6 -51.7 -52.2 32.7 1188 371 C M H X S+ 0 0 20 -4,-1.4 4,-5.1 -3,-0.3 5,-0.3 0.976 110.9 57.5 -68.9 -56.2 -50.9 -55.4 34.6 1189 372 C A H X S+ 0 0 29 -4,-2.6 4,-0.7 1,-0.3 -2,-0.2 0.713 116.5 37.5 -48.2 -25.5 -48.6 -56.9 31.8 1190 373 C T H X S+ 0 0 26 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.3 0.784 116.9 48.3 -98.3 -34.4 -46.6 -53.7 32.1 1191 374 C L H X S+ 0 0 17 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.865 106.5 60.7 -67.1 -37.0 -46.8 -53.3 35.9 1192 375 C E H X S+ 0 0 30 -4,-5.1 4,-2.3 1,-0.2 5,-0.2 0.952 102.1 51.7 -50.1 -51.4 -45.9 -56.9 36.0 1193 376 C K H X S+ 0 0 90 -4,-0.7 4,-3.0 -5,-0.3 -1,-0.2 0.886 107.4 54.5 -50.4 -43.3 -42.7 -55.9 34.3 1194 377 C L H X S+ 0 0 51 -4,-1.4 4,-3.4 2,-0.2 5,-0.5 0.983 108.0 45.3 -55.5 -65.4 -42.2 -53.2 37.0 1195 378 C M H X S+ 0 0 53 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.885 117.2 46.7 -45.4 -51.1 -42.4 -55.6 40.0 1196 379 C K H < S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.940 117.1 43.3 -54.3 -52.3 -40.1 -58.0 38.2 1197 380 C A H >X S+ 0 0 6 -4,-3.0 3,-2.0 1,-0.2 4,-0.9 0.909 113.7 47.4 -68.4 -47.6 -37.6 -55.2 37.2 1198 381 C F H 3X S+ 0 0 48 -4,-3.4 4,-3.1 1,-0.3 5,-0.2 0.847 100.6 68.9 -61.3 -33.8 -37.6 -53.4 40.5 1199 382 C E H 3< S+ 0 0 95 -4,-1.8 4,-0.5 -5,-0.5 -1,-0.3 0.475 95.6 58.5 -67.3 -1.5 -37.1 -56.8 42.1 1200 383 C S H <> S+ 0 0 0 -3,-2.0 4,-2.4 2,-0.1 5,-0.3 0.846 109.5 37.3 -78.5 -80.6 -33.7 -56.5 40.4 1201 384 C L H < S+ 0 0 95 -4,-0.9 4,-0.4 1,-0.2 -2,-0.2 0.801 121.5 49.2 -33.1 -50.2 -32.5 -53.3 42.1 1202 385 C K T >< S+ 0 0 105 -4,-3.1 3,-1.3 1,-0.2 4,-0.3 0.963 117.4 35.7 -61.3 -58.3 -34.2 -54.4 45.4 1203 386 C S T 3> S+ 0 0 60 -4,-0.5 4,-0.6 1,-0.3 3,-0.4 0.621 113.0 61.7 -75.6 -11.7 -32.8 -57.9 45.7 1204 387 C F H 3X S+ 0 0 23 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.502 85.4 78.6 -86.3 -9.0 -29.5 -56.7 44.2 1205 388 C Q H <> S+ 0 0 103 -3,-1.3 4,-1.2 -4,-0.4 -1,-0.2 0.736 92.1 51.0 -69.9 -25.7 -29.2 -54.4 47.2 1206 389 C Q H > S+ 0 0 135 -3,-0.4 4,-3.2 -4,-0.3 5,-0.3 0.939 111.3 43.0 -78.6 -52.8 -28.0 -57.4 49.3 1207 390 C Q H X S+ 0 0 8 -4,-0.6 4,-1.3 1,-0.2 5,-0.3 0.779 110.7 61.6 -61.9 -29.1 -25.3 -58.6 46.9 1208 391 C Q H X S+ 0 0 89 -4,-1.4 4,-1.3 3,-0.1 -1,-0.2 0.942 116.4 28.4 -54.2 -50.5 -24.5 -54.9 46.6 1209 392 C Q H X S+ 0 0 125 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.735 115.8 57.9 -92.3 -29.3 -23.6 -54.7 50.3 1210 393 C Q H < S+ 0 0 130 -4,-3.2 -3,-0.2 2,-0.2 -1,-0.1 0.899 119.2 32.8 -64.9 -44.0 -22.5 -58.3 51.1 1211 394 C Q H < S+ 0 0 93 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.1 0.837 113.0 61.4 -81.4 -39.4 -19.7 -58.1 48.5 1212 395 C Q H < S- 0 0 129 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.909 131.9 -63.3 -52.6 -49.3 -19.1 -54.3 49.0 1213 396 C Q < - 0 0 75 -4,-1.6 -3,-0.1 -5,-0.0 -4,-0.1 -0.053 37.2-150.8-157.8 -84.3 -18.1 -54.9 52.6 1214 397 C Q 0 0 74 1,-0.1 -4,-0.1 -5,-0.1 -5,-0.0 0.824 360.0 360.0 80.5 48.9 -20.3 -56.3 55.4 1215 398 C Q 0 0 146 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.780 360.0 360.0 50.0 360.0 -18.3 -54.4 58.1