==== 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 METAL-BINDING PROTEIN 18-DEC-03 1RXQ . COMPND 2 MOLECULE: YFIT; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.S.RAJAN,X.YANG,W.F.ANDERSON,MIDWEST CENTER FOR STRUCTURAL . 698 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 54.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 7 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 4 1 3 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 A N 0 0 168 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.6 16.6 8.1 5.6 2 6 A L + 0 0 94 1,-0.2 164,-0.1 2,-0.1 0, 0.0 0.848 360.0 42.2 -70.7 -37.4 13.2 8.3 3.9 3 7 A S S S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.1 160,-0.1 0.767 125.3 32.3 -83.6 -27.7 14.7 7.8 0.4 4 8 A Y > + 0 0 109 1,-0.1 3,-1.1 158,-0.1 -1,-0.2 -0.646 61.9 166.7-133.8 74.8 17.2 5.1 1.3 5 9 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.757 86.1 28.3 -60.4 -28.6 15.8 2.8 4.1 6 10 A I T 3 S- 0 0 85 1,-0.5 2,-0.1 149,-0.1 153,-0.1 0.057 111.0-118.1-121.3 23.5 18.5 0.1 3.6 7 11 A G < - 0 0 34 -3,-1.1 -1,-0.5 -6,-0.1 2,-0.3 -0.375 45.5 -55.6 74.2-154.4 21.4 2.2 2.2 8 12 A E - 0 0 146 -3,-0.1 2,-0.2 -2,-0.1 -4,-0.0 -0.837 56.8 -86.6-124.8 160.1 22.9 1.7 -1.3 9 13 A Y - 0 0 36 -2,-0.3 143,-0.1 143,-0.1 -2,-0.0 -0.479 34.3-152.5 -69.6 131.1 24.4 -1.2 -3.1 10 14 A K - 0 0 155 -2,-0.2 2,-0.1 141,-0.1 -1,-0.1 -0.901 12.7-146.2-106.2 108.5 28.2 -1.7 -2.6 11 15 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 137,-0.0 -0.383 17.5-174.7 -70.0 148.4 30.0 -3.4 -5.6 12 16 A R - 0 0 102 -2,-0.1 3,-0.1 1,-0.1 136,-0.1 -0.932 32.6-135.5-138.7 163.4 32.9 -5.8 -5.1 13 17 A E S S+ 0 0 172 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.675 93.8 62.9 -85.3 -21.9 35.3 -7.7 -7.3 14 18 A S + 0 0 99 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.880 56.7 161.5-118.0 102.3 35.0 -10.9 -5.3 15 19 A I - 0 0 17 -2,-0.7 133,-0.0 -3,-0.1 132,-0.0 -0.981 29.1-138.7-122.1 120.8 31.6 -12.6 -5.2 16 20 A S > - 0 0 69 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.203 21.1-113.5 -75.2 164.0 31.5 -16.2 -4.2 17 21 A K H > S+ 0 0 124 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.871 119.2 52.3 -60.3 -41.3 29.4 -19.0 -5.7 18 22 A E H > S+ 0 0 168 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 110.0 48.7 -64.2 -38.1 27.4 -19.3 -2.4 19 23 A Q H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 112.7 46.9 -68.6 -46.7 26.7 -15.5 -2.5 20 24 A K H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.943 112.7 49.6 -58.8 -49.3 25.6 -15.6 -6.1 21 25 A D H X S+ 0 0 102 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.884 111.7 49.2 -57.8 -38.3 23.3 -18.7 -5.5 22 26 A K H X S+ 0 0 104 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.913 109.5 50.9 -68.4 -41.6 21.8 -16.9 -2.4 23 27 A W H X S+ 0 0 26 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.875 107.6 54.2 -62.9 -37.5 21.1 -13.7 -4.4 24 28 A I H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.930 110.4 46.5 -61.2 -43.8 19.4 -15.8 -7.1 25 29 A Q H X S+ 0 0 84 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.924 112.9 49.1 -63.9 -43.6 17.1 -17.3 -4.5 26 30 A V H X S+ 0 0 32 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.917 110.6 51.4 -63.3 -41.5 16.4 -13.9 -2.9 27 31 A L H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.891 106.9 52.6 -64.4 -38.4 15.6 -12.5 -6.4 28 32 A E H 3< S+ 0 0 69 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.857 110.9 49.1 -65.5 -32.5 13.2 -15.3 -7.2 29 33 A E H 3X S+ 0 0 80 -4,-1.5 4,-1.6 1,-0.2 3,-0.3 0.570 86.4 90.4 -83.5 -10.7 11.4 -14.5 -3.9 30 34 A V H S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.894 109.0 49.4 -60.9 -37.4 7.7 -10.7 -6.2 32 36 A A H > S+ 0 0 46 -4,-0.3 4,-2.2 -3,-0.3 -2,-0.2 0.873 111.7 48.9 -64.1 -39.7 6.1 -12.6 -3.4 33 37 A K H X S+ 0 0 90 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.885 112.4 47.9 -67.8 -39.8 7.5 -10.3 -0.8 34 38 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 5,-0.2 0.920 110.8 51.4 -63.3 -45.8 6.3 -7.3 -2.7 35 39 A K H X S+ 0 0 111 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.900 105.6 56.0 -59.1 -42.7 2.9 -8.8 -3.1 36 40 A Q H < S+ 0 0 95 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.887 111.4 44.6 -55.6 -42.1 2.7 -9.4 0.7 37 41 A A H < S+ 0 0 14 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.845 121.6 35.0 -71.0 -34.5 3.3 -5.7 1.2 38 42 A V H >< S+ 0 0 3 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.776 97.2 74.4 -99.4 -29.3 0.9 -4.3 -1.4 39 43 A E T 3< S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.647 90.5 63.0 -66.7 -13.5 -2.1 -6.7 -1.4 40 44 A V T 3 S+ 0 0 12 -4,-0.3 2,-0.4 -5,-0.2 -1,-0.3 0.525 87.6 98.9 -82.9 -6.6 -3.3 -5.2 1.9 41 45 A X < - 0 0 0 -3,-2.1 2,-0.1 132,-0.1 144,-0.1 -0.697 60.6-147.8 -99.2 134.4 -3.8 -1.8 0.4 42 46 A T >> - 0 0 41 -2,-0.4 4,-2.6 142,-0.2 3,-0.5 -0.341 43.4 -90.8 -76.9 169.4 -7.0 -0.1 -0.8 43 47 A D H 3> S+ 0 0 98 1,-0.3 4,-1.6 2,-0.2 15,-0.1 0.872 127.1 50.1 -54.5 -44.4 -6.8 2.4 -3.7 44 48 A S H 34 S+ 0 0 87 2,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.851 112.2 48.4 -67.7 -30.2 -6.3 5.4 -1.5 45 49 A Q H X4 S+ 0 0 8 -3,-0.5 3,-1.5 1,-0.2 12,-0.4 0.902 110.0 51.9 -70.8 -42.3 -3.5 3.6 0.3 46 50 A L H 3< S+ 0 0 3 -4,-2.6 12,-2.6 1,-0.3 13,-0.3 0.798 108.5 52.8 -60.3 -30.1 -1.9 2.6 -3.0 47 51 A D T 3< S+ 0 0 70 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.174 85.0 109.9 -97.0 17.5 -2.1 6.3 -4.1 48 52 A T S < S- 0 0 40 -3,-1.5 9,-1.3 -5,-0.1 10,-0.1 -0.817 76.3-115.0 -92.2 125.4 -0.3 7.5 -1.0 49 53 A P B -A 56 0A 60 0, 0.0 7,-0.3 0, 0.0 6,-0.1 -0.353 13.9-137.2 -53.3 136.0 3.2 8.9 -1.5 50 54 A Y S S+ 0 0 19 5,-2.6 2,-0.3 1,-0.2 6,-0.1 0.702 88.9 0.6 -74.3 -18.6 5.8 6.7 0.2 51 55 A R S > S- 0 0 83 4,-0.3 3,-2.1 -48,-0.0 -1,-0.2 -0.951 103.1 -68.9-153.9 165.5 7.5 10.0 1.3 52 56 A D T 3 S+ 0 0 160 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.386 122.5 7.5 -60.4 127.9 6.8 13.7 0.8 53 57 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.1 2,-0.0 0.263 111.9 111.3 86.2 -10.0 7.3 14.6 -2.8 54 58 A G S < S- 0 0 16 -3,-2.1 -1,-0.3 1,-0.2 -51,-0.0 -0.188 73.0 -71.8 -98.2-179.3 7.8 10.9 -3.8 55 59 A W - 0 0 32 -6,-0.1 -5,-2.6 -3,-0.1 -4,-0.3 -0.298 47.2-113.7 -66.3 153.5 6.1 8.2 -5.8 56 60 A T B > -A 49 0A 19 -7,-0.3 4,-2.2 -6,-0.1 -9,-0.2 -0.396 31.5-105.6 -75.3 164.0 3.0 6.5 -4.6 57 61 A V H > S+ 0 0 0 -9,-1.3 4,-2.4 -12,-0.4 -10,-0.2 0.896 123.6 55.6 -55.6 -40.9 3.1 2.8 -3.8 58 62 A R H > S+ 0 0 5 -12,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.948 107.9 47.8 -59.8 -48.7 1.2 2.1 -7.0 59 63 A Q H > S+ 0 0 6 -13,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.871 109.3 54.0 -58.4 -41.9 3.9 3.9 -9.0 60 64 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.911 107.3 50.8 -60.5 -43.1 6.7 2.0 -7.1 61 65 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.950 113.2 44.4 -59.9 -49.8 5.1 -1.3 -8.1 62 66 A H H X S+ 0 0 1 -4,-2.1 4,-2.3 38,-0.2 -1,-0.2 0.873 111.1 55.5 -65.2 -32.0 4.9 -0.4 -11.7 63 67 A H H X S+ 0 0 4 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.892 103.0 54.5 -65.6 -41.7 8.4 1.0 -11.6 64 68 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.932 110.3 47.4 -59.2 -42.4 9.8 -2.3 -10.3 65 69 A A H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.951 115.7 43.7 -63.6 -46.7 8.2 -4.1 -13.3 66 70 A D H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.915 115.8 47.6 -65.0 -44.9 9.6 -1.6 -15.8 67 71 A S H X S+ 0 0 4 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.915 113.8 46.6 -62.7 -45.3 13.1 -1.4 -14.2 68 72 A H H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.845 108.2 54.4 -75.5 -30.6 13.4 -5.2 -13.9 69 73 A X H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.950 111.1 48.1 -61.7 -44.8 12.2 -5.8 -17.5 70 74 A N H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 111.3 50.8 -58.5 -43.6 15.0 -3.3 -18.6 71 75 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 106.9 52.4 -60.6 -46.7 17.5 -5.2 -16.4 72 76 A Y H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.912 110.6 48.9 -56.6 -45.6 16.6 -8.6 -17.8 73 77 A I H X S+ 0 0 9 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.916 108.0 53.8 -59.0 -42.5 17.2 -7.2 -21.3 74 78 A R H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.879 106.0 53.9 -63.6 -37.3 20.5 -5.7 -20.3 75 79 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.946 110.5 45.7 -58.7 -48.4 21.6 -9.2 -19.0 76 80 A K H X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.867 111.5 52.2 -68.1 -34.5 20.8 -10.8 -22.4 77 81 A L H >X S+ 0 0 4 -4,-2.7 4,-1.2 1,-0.2 3,-0.9 0.933 110.2 49.9 -59.0 -45.1 22.6 -7.9 -24.2 78 82 A S H 3< S+ 0 0 0 -4,-2.4 5,-0.3 1,-0.3 -2,-0.2 0.794 109.8 50.1 -67.4 -31.5 25.6 -8.5 -22.0 79 83 A L H 3< S+ 0 0 14 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.651 119.6 36.2 -78.8 -15.6 25.6 -12.2 -22.7 80 84 A T H << S+ 0 0 26 -3,-0.9 2,-0.3 -4,-0.8 -2,-0.2 0.410 117.6 43.9-120.1 -4.0 25.4 -11.7 -26.5 81 85 A E S < S- 0 0 52 -4,-1.2 2,-0.8 -5,-0.1 -1,-0.1 -0.932 89.4-101.7-138.0 157.1 27.6 -8.6 -27.1 82 86 A E S S- 0 0 153 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.752 92.0 -34.7 -91.7 110.3 31.0 -7.6 -25.8 83 87 A T S S- 0 0 68 -2,-0.8 -1,-0.2 51,-0.4 52,-0.2 0.919 86.2-154.1 42.6 65.8 30.4 -5.0 -23.0 84 88 A P - 0 0 5 0, 0.0 52,-2.9 0, 0.0 2,-0.5 -0.271 17.0-119.7 -67.7 146.9 27.4 -3.4 -24.7 85 89 A A B -b 136 0B 44 50,-0.2 52,-0.2 52,-0.1 2,-0.1 -0.776 40.7-141.5 -73.8 126.2 26.4 0.2 -24.1 86 90 A I - 0 0 5 50,-2.5 -1,-0.0 -2,-0.5 -12,-0.0 -0.383 12.3-105.3 -91.6 173.4 22.9 -0.2 -22.7 87 91 A R - 0 0 54 -17,-0.1 -13,-0.1 -2,-0.1 521,-0.1 -0.865 32.4-149.6-103.0 107.1 19.8 1.9 -23.3 88 92 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 49,-0.0 -0.278 9.1-156.1 -67.6 160.9 18.8 4.2 -20.4 89 93 A Y - 0 0 34 512,-0.0 2,-1.3 -22,-0.0 3,-0.1 -0.958 25.5-112.4-133.7 156.3 15.2 5.2 -19.8 90 94 A D > - 0 0 75 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 -0.706 32.4-173.6 -88.3 90.3 13.8 8.2 -18.0 91 95 A E H > S+ 0 0 79 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.835 81.2 54.3 -61.5 -32.0 12.3 6.4 -15.0 92 96 A K H > S+ 0 0 148 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.949 110.3 45.7 -64.6 -44.8 10.6 9.6 -13.7 93 97 A A H >> S+ 0 0 27 -3,-0.2 3,-0.7 1,-0.2 4,-0.5 0.901 110.6 53.8 -65.4 -39.6 8.8 10.1 -17.0 94 98 A W H >< S+ 0 0 3 -4,-2.5 3,-1.1 1,-0.2 6,-0.3 0.915 107.1 52.0 -60.4 -38.6 7.8 6.5 -17.2 95 99 A S H 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.669 103.7 58.7 -74.4 -15.6 6.2 6.8 -13.7 96 100 A E H << S+ 0 0 103 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.490 76.6 113.7 -92.6 -1.8 4.2 9.8 -14.8 97 101 A L S XX S- 0 0 19 -3,-1.1 4,-1.4 -4,-0.5 3,-0.6 -0.432 80.4-116.2 -64.3 146.4 2.4 8.0 -17.6 98 102 A K H 3> S+ 0 0 125 1,-0.3 4,-1.2 2,-0.2 3,-0.3 0.879 115.4 54.8 -51.2 -44.2 -1.4 7.7 -16.8 99 103 A D H >> S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.900 105.3 51.8 -57.4 -43.3 -1.1 3.9 -16.7 100 104 A S H <4 S+ 0 0 2 -3,-0.6 -38,-0.2 -6,-0.3 -1,-0.2 0.813 113.5 45.6 -64.2 -30.3 1.7 4.0 -14.1 101 105 A K H 3< S+ 0 0 87 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.649 127.6 23.1 -86.6 -15.6 -0.5 6.3 -11.9 102 106 A T H << S+ 0 0 83 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.2 0.634 85.4 110.2-128.0 -22.6 -3.8 4.3 -12.3 103 107 A A S < S- 0 0 16 -4,-2.7 -41,-0.1 -5,-0.3 536,-0.0 -0.294 74.1-105.9 -62.7 140.0 -3.3 0.6 -13.2 104 108 A D >> - 0 0 84 1,-0.1 3,-0.7 4,-0.0 4,-0.6 -0.417 24.9-126.9 -59.9 139.8 -4.1 -2.0 -10.5 105 109 A P H >> S+ 0 0 6 0, 0.0 4,-2.7 0, 0.0 3,-0.6 0.773 94.6 84.7 -62.3 -24.1 -0.9 -3.4 -9.1 106 110 A S H 3> S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.833 87.8 49.8 -51.4 -44.6 -2.1 -7.0 -9.7 107 111 A G H <> S+ 0 0 17 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.896 114.5 44.1 -61.2 -41.2 -0.9 -7.1 -13.4 108 112 A S H X S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 4,-0.6 0.957 111.1 52.5 -59.7 -46.1 18.7 -17.5 -17.0 123 127 A L H >< S+ 0 0 2 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.852 102.9 57.3 -61.6 -36.8 21.0 -16.8 -14.1 124 128 A R H 3< S+ 0 0 133 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.696 103.2 55.3 -70.0 -17.0 21.2 -20.4 -13.1 125 129 A T H << S+ 0 0 34 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.621 86.1 108.1 -85.5 -13.4 22.6 -21.4 -16.6 126 130 A L << - 0 0 19 -3,-1.0 2,-0.1 -4,-0.6 -3,-0.0 -0.414 60.9-139.0 -77.8 138.7 25.5 -18.9 -16.4 127 131 A T > - 0 0 67 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.346 33.1-102.8 -76.9 168.7 29.1 -20.0 -16.1 128 132 A D H > S+ 0 0 84 1,-0.2 4,-0.8 2,-0.2 19,-0.1 0.890 124.4 53.4 -59.0 -39.8 31.5 -18.0 -13.8 129 133 A Q H >4 S+ 0 0 164 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.902 106.2 51.8 -61.9 -44.9 33.0 -16.4 -16.9 130 134 A Q H >4 S+ 0 0 47 1,-0.3 3,-1.3 2,-0.2 16,-0.3 0.885 104.6 56.8 -62.1 -35.8 29.6 -15.3 -18.1 131 135 A F H 3< S+ 0 0 7 -4,-1.9 16,-1.9 1,-0.3 15,-0.4 0.713 102.3 57.3 -68.2 -18.9 29.0 -13.7 -14.7 132 136 A K T << S+ 0 0 107 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.544 84.6 101.5 -87.4 -8.8 32.2 -11.7 -15.2 133 137 A R < - 0 0 61 -3,-1.3 13,-2.5 -4,-0.5 14,-0.3 -0.348 57.3-172.8 -67.0 157.0 30.8 -10.2 -18.5 134 138 A G E - C 0 145B 6 11,-0.3 -51,-0.4 -56,-0.2 2,-0.3 -0.777 20.4-132.2-139.4-176.1 29.6 -6.6 -18.1 135 139 A F E - C 0 144B 6 9,-1.9 9,-2.5 -2,-0.2 2,-0.4 -0.973 19.0-125.5-142.7 160.7 27.8 -3.7 -19.6 136 140 A Y E -bC 85 143B 91 -52,-2.9 -50,-2.5 -2,-0.3 7,-0.2 -0.877 11.0-144.3-110.8 128.0 28.4 0.0 -19.9 137 141 A H > - 0 0 47 5,-2.4 4,-1.6 -2,-0.4 5,-0.2 -0.864 11.6-151.3 -89.5 116.4 25.9 2.7 -18.7 138 142 A P T 4 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -51,-0.1 0.842 90.4 44.6 -58.5 -39.2 26.3 5.6 -21.2 139 143 A D T 4 S+ 0 0 127 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.970 123.7 31.6 -71.4 -54.5 25.2 8.4 -18.7 140 144 A T T 4 S- 0 0 86 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.530 94.3-141.6 -82.6 -9.0 27.3 7.3 -15.7 141 145 A K < + 0 0 147 -4,-1.6 2,-0.2 1,-0.2 -1,-0.1 0.456 54.6 135.9 63.2 2.5 30.1 5.9 -17.9 142 146 A E - 0 0 120 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.5 -0.534 49.2-141.0 -88.3 146.9 30.5 3.0 -15.4 143 147 A I E -C 136 0B 92 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.913 18.7-168.5-103.1 128.8 30.9 -0.7 -16.3 144 148 A I E -C 135 0B 34 -9,-2.5 -9,-1.9 -2,-0.5 2,-0.1 -0.961 15.2-133.5-119.7 136.0 29.1 -3.2 -14.1 145 149 A T E > -C 134 0B 34 -2,-0.4 4,-2.4 -11,-0.2 -11,-0.3 -0.448 26.3-114.3 -77.9 159.8 29.6 -7.0 -14.2 146 150 A L H > S+ 0 0 0 -13,-2.5 4,-2.2 -15,-0.4 -14,-0.2 0.842 116.7 55.6 -66.3 -33.5 26.6 -9.3 -14.2 147 151 A E H > S+ 0 0 5 -16,-1.9 4,-1.7 -14,-0.3 -1,-0.2 0.918 111.9 43.5 -65.7 -39.6 27.5 -10.7 -10.7 148 152 A N H > S+ 0 0 17 -17,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.851 110.5 55.8 -70.7 -33.9 27.4 -7.1 -9.4 149 153 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.897 105.2 52.9 -65.3 -37.5 24.2 -6.4 -11.4 150 154 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.950 111.6 45.4 -58.8 -48.7 22.6 -9.4 -9.6 151 155 A G H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.900 111.2 54.4 -58.9 -41.7 23.6 -7.9 -6.3 152 156 A L H X S+ 0 0 49 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.878 109.5 45.7 -60.4 -43.1 22.4 -4.4 -7.4 153 157 A Y H X S+ 0 0 21 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.777 107.8 55.5 -80.5 -23.1 18.9 -5.7 -8.3 154 158 A V H X S+ 0 0 17 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.947 113.3 45.2 -62.3 -47.5 18.5 -7.7 -5.1 155 159 A W H X S+ 0 0 43 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.932 111.6 51.0 -57.4 -50.8 19.3 -4.3 -3.4 156 160 A H H X S+ 0 0 18 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.921 109.5 51.5 -57.7 -45.8 16.9 -2.4 -5.8 157 161 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.934 115.6 39.3 -52.5 -52.5 14.1 -4.9 -5.0 158 162 A H H X S+ 0 0 64 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.808 109.7 60.5 -79.8 -24.5 14.4 -4.6 -1.3 159 163 A H H X S+ 0 0 13 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.955 112.0 38.8 -60.5 -52.4 15.1 -0.9 -1.3 160 164 A H H X S+ 0 0 8 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.872 113.3 55.0 -72.1 -35.1 11.7 -0.3 -2.9 161 165 A I H X S+ 0 0 14 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.916 107.3 52.1 -61.9 -39.6 9.9 -3.0 -0.8 162 166 A A H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.816 102.4 58.7 -67.8 -31.4 11.2 -1.2 2.3 163 167 A H H X S+ 0 0 3 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.909 112.0 42.0 -56.0 -43.4 9.8 2.1 1.0 164 168 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.926 115.4 45.5 -74.2 -46.4 6.4 0.5 1.0 165 169 A T H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.842 111.5 54.4 -71.3 -31.2 6.6 -1.5 4.3 166 170 A E H X S+ 0 0 42 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.890 109.8 46.8 -65.5 -43.5 7.9 1.6 6.1 167 171 A L H X S+ 0 0 3 -4,-1.4 4,-2.1 -5,-0.2 6,-0.2 0.930 112.1 51.0 -60.9 -46.3 5.0 3.6 4.9 168 172 A S H X>S+ 0 0 8 -4,-2.3 5,-1.9 1,-0.2 4,-0.7 0.895 112.9 45.4 -61.5 -39.6 2.6 0.9 5.9 169 173 A R H ><5S+ 0 0 188 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.895 111.5 52.1 -72.6 -38.7 4.1 0.7 9.4 170 174 A R H 3<5S+ 0 0 113 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 113.8 44.0 -67.3 -33.4 4.2 4.5 9.8 171 175 A X H 3<5S- 0 0 75 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.504 111.2-116.3 -91.6 -7.2 0.5 4.7 8.9 172 176 A G T <<5 + 0 0 32 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.677 66.7 141.0 79.6 17.5 -0.7 1.8 11.0 173 177 A W < 0 0 38 -5,-1.9 -1,-0.2 -6,-0.2 10,-0.1 -0.278 360.0 360.0 -78.3 176.3 -1.9 -0.2 8.0 174 178 A S 0 0 66 -134,-0.2 -1,-0.2 8,-0.1 -3,-0.1 -0.111 360.0 360.0 -78.3 360.0 -1.3 -4.0 8.0 175 !* 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 0.0 176 4 B V 0 0 164 0, 0.0 7,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.9 -12.3 9.0 6.1 177 5 B N + 0 0 105 5,-0.1 6,-0.1 6,-0.0 0, 0.0 0.431 360.0 43.6-145.2 -47.4 -9.6 10.0 8.7 178 6 B L S S+ 0 0 91 1,-0.2 164,-0.1 2,-0.1 0, 0.0 0.882 129.0 33.2 -68.4 -39.2 -11.2 10.9 12.0 179 7 B S S S+ 0 0 31 1,-0.2 -1,-0.2 2,-0.1 160,-0.1 0.755 132.8 31.7 -85.5 -29.2 -13.5 7.9 11.7 180 8 B Y > + 0 0 93 1,-0.1 3,-1.4 158,-0.0 -1,-0.2 -0.571 66.7 164.5-130.7 70.4 -10.9 5.7 9.8 181 9 B P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.725 84.2 29.0 -64.0 -26.3 -7.5 6.6 11.1 182 10 B I T 3 S- 0 0 16 1,-0.5 -8,-0.1 -10,-0.1 153,-0.1 0.113 112.4-117.7-117.8 20.4 -5.8 3.5 9.8 183 11 B G < - 0 0 19 -3,-1.4 -1,-0.5 -7,-0.1 2,-0.2 -0.320 44.3 -58.6 75.7-164.4 -8.1 2.9 6.8 184 12 B E - 0 0 112 -3,-0.1 2,-0.3 -4,-0.1 -142,-0.2 -0.699 51.7 -92.4-112.9 167.6 -10.2 -0.3 6.4 185 13 B Y - 0 0 30 -2,-0.2 143,-0.1 143,-0.1 -144,-0.1 -0.618 32.6-154.4 -75.3 132.3 -9.5 -4.0 6.2 186 14 B K - 0 0 72 -2,-0.3 -1,-0.0 -146,-0.3 141,-0.0 -0.944 15.0-138.1-107.1 113.0 -9.1 -5.3 2.7 187 15 B P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.272 15.9-149.4 -64.3 154.6 -9.9 -9.0 2.5 188 16 B R - 0 0 17 1,-0.1 3,-0.1 -148,-0.0 136,-0.1 -0.940 21.8-129.1-123.9 152.7 -7.7 -11.4 0.4 189 17 B E S S+ 0 0 192 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.882 97.9 26.3 -61.3 -38.4 -8.5 -14.5 -1.5 190 18 B S - 0 0 77 -3,-0.1 2,-0.4 133,-0.1 -1,-0.2 -0.985 61.7-166.6-137.3 136.7 -5.6 -16.2 0.3 191 19 B I - 0 0 11 -2,-0.4 133,-0.0 -3,-0.1 132,-0.0 -0.977 25.2-127.6-122.2 133.1 -3.8 -15.8 3.7 192 20 B S > - 0 0 47 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.302 18.9-116.8 -78.9 159.9 -0.5 -17.6 4.4 193 21 B K H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 118.4 52.2 -56.1 -42.6 0.4 -19.8 7.4 194 22 B E H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 109.1 48.4 -65.1 -41.1 3.0 -17.1 8.4 195 23 B Q H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 110.8 51.2 -65.0 -42.1 0.4 -14.3 8.2 196 24 B K H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.940 109.3 50.4 -60.6 -46.3 -2.1 -16.3 10.3 197 25 B D H X S+ 0 0 83 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.904 111.7 47.9 -61.5 -41.6 0.5 -17.0 12.9 198 26 B K H X S+ 0 0 128 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.913 111.6 50.1 -63.0 -44.9 1.5 -13.3 13.2 199 27 B W H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.868 107.3 53.8 -63.9 -36.6 -2.1 -12.3 13.4 200 28 B I H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.950 111.0 47.2 -63.1 -45.0 -2.8 -14.8 16.2 201 29 B Q H X S+ 0 0 131 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.921 112.5 48.4 -58.6 -48.2 0.1 -13.3 18.1 202 30 B V H X S+ 0 0 23 -4,-2.6 4,-1.3 1,-0.2 3,-0.4 0.924 110.3 51.9 -62.0 -41.8 -1.1 -9.7 17.5 203 31 B L H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.874 106.1 54.6 -64.6 -35.1 -4.6 -10.6 18.6 204 32 B E H < S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.857 113.6 41.6 -66.8 -32.5 -3.4 -12.1 21.8 205 33 B E H >X S+ 0 0 80 -4,-1.4 4,-1.5 -3,-0.4 3,-0.6 0.583 88.3 93.3 -92.1 -12.7 -1.5 -8.9 22.7 206 34 B V H 3X S+ 0 0 5 -4,-1.3 4,-2.3 -3,-0.3 5,-0.2 0.875 80.2 56.6 -48.7 -48.5 -4.2 -6.4 21.6 207 35 B P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.894 104.2 51.9 -58.8 -37.4 -5.8 -6.1 25.1 208 36 B A H <> S+ 0 0 51 -3,-0.6 4,-2.4 -4,-0.2 -2,-0.2 0.897 109.7 51.0 -65.4 -37.6 -2.6 -5.0 26.8 209 37 B K H X S+ 0 0 109 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.896 110.6 47.8 -63.7 -43.7 -2.2 -2.3 24.1 210 38 B L H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 3,-0.3 0.937 111.4 50.8 -60.7 -45.6 -5.7 -1.0 24.7 211 39 B K H X S+ 0 0 103 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.910 104.3 58.8 -59.7 -43.8 -5.2 -1.0 28.5 212 40 B Q H < S+ 0 0 133 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.884 110.2 43.2 -48.7 -46.6 -1.9 1.0 28.0 213 41 B A H < S+ 0 0 16 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.814 121.1 37.3 -72.3 -34.7 -3.9 3.7 26.3 214 42 B V H >< S+ 0 0 6 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.723 97.9 77.7 -96.9 -21.9 -6.9 3.9 28.7 215 43 B E T 3< S+ 0 0 130 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.760 93.6 51.9 -55.4 -33.1 -5.0 3.2 32.0 216 44 B V T 3 S+ 0 0 89 -4,-0.4 2,-0.4 -5,-0.2 -1,-0.3 0.320 90.1 107.9 -91.3 6.8 -3.8 6.8 32.2 217 45 B X < - 0 0 20 -3,-1.6 2,-0.1 132,-0.1 -3,-0.0 -0.715 59.2-138.7-103.8 137.9 -7.1 8.5 31.7 218 46 B T > - 0 0 67 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.306 36.6-102.8 -73.3 165.7 -9.3 10.4 34.1 219 47 B D H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 15,-0.1 0.877 124.1 55.7 -57.9 -40.1 -13.1 9.9 34.0 220 48 B S H 4 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.903 110.4 46.1 -62.2 -36.4 -13.5 13.2 32.2 221 49 B Q H >4 S+ 0 0 30 1,-0.2 3,-1.8 2,-0.2 12,-0.4 0.898 108.5 54.9 -69.6 -41.5 -11.2 11.9 29.5 222 50 B L H 3< S+ 0 0 6 -4,-2.5 12,-2.6 1,-0.3 11,-0.4 0.849 107.9 51.1 -59.8 -31.2 -13.0 8.5 29.4 223 51 B D T 3< S+ 0 0 73 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.159 86.8 109.8 -98.2 19.9 -16.2 10.4 28.7 224 52 B T S < S- 0 0 38 -3,-1.8 9,-1.3 -5,-0.1 10,-0.1 -0.841 75.0-115.3 -92.9 126.8 -14.7 12.4 25.9 225 53 B P B -D 232 0C 58 0, 0.0 7,-0.3 0, 0.0 6,-0.1 -0.329 14.1-135.0 -53.5 138.7 -15.8 11.7 22.3 226 54 B Y S S- 0 0 17 5,-2.7 2,-0.3 1,-0.1 6,-0.1 0.689 89.1 -3.2 -74.8 -18.9 -13.1 10.3 20.1 227 55 B R S > S- 0 0 71 4,-0.3 3,-2.0 -48,-0.0 2,-0.3 -0.946 102.7 -65.5-155.0 170.4 -14.3 12.7 17.4 228 56 B D T 3 S+ 0 0 159 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.489 126.1 8.2 -61.8 123.8 -17.1 15.2 17.0 229 57 B G T 3 S+ 0 0 71 -2,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.431 110.7 118.6 83.5 1.2 -20.4 13.2 17.1 230 58 B G S < S- 0 0 14 -3,-2.0 -1,-0.3 1,-0.2 -51,-0.0 -0.372 70.2 -82.1 -96.3 171.8 -18.6 10.0 18.0 231 59 B W - 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0 0 17 -6,-0.1 -5,-2.6 1,-0.1 -4,-0.3 -0.355 47.0-108.9 -66.6 151.6 -19.1 -34.5 29.1 407 60 C T B > -G 400 0E 19 -7,-0.3 4,-2.3 -6,-0.1 -9,-0.2 -0.371 30.2-106.6 -72.1 160.8 -15.8 -34.3 31.0 408 61 C V H > S+ 0 0 0 -9,-1.6 4,-2.2 -12,-0.4 -10,-0.2 0.918 123.5 54.6 -52.5 -46.2 -15.4 -31.8 33.8 409 62 C R H > S+ 0 0 8 -12,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.928 107.3 48.8 -52.9 -50.8 -13.1 -29.9 31.5 410 63 C Q H > S+ 0 0 10 -13,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.879 108.2 55.1 -60.3 -39.4 -15.8 -29.7 28.8 411 64 C V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.917 106.9 50.4 -58.9 -45.5 -18.3 -28.5 31.4 412 65 C V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.942 113.9 43.4 -56.6 -51.6 -16.1 -25.6 32.4 413 66 C H H X S+ 0 0 0 -4,-2.1 4,-2.3 38,-0.2 -1,-0.2 0.857 110.4 57.4 -67.3 -33.0 -15.6 -24.5 28.8 414 67 C H H X S+ 0 0 4 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.867 103.2 53.5 -61.7 -40.5 -19.3 -25.0 28.1 415 68 C L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.914 108.6 49.5 -63.8 -42.0 -20.2 -22.6 30.9 416 69 C A H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.956 116.2 42.1 -60.2 -48.5 -18.0 -19.9 29.4 417 70 C D H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 115.6 48.3 -66.2 -42.4 -19.6 -20.4 26.0 418 71 C S H X S+ 0 0 3 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.906 113.5 46.9 -64.3 -43.3 -23.1 -20.7 27.2 419 72 C H H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.840 108.6 53.8 -77.0 -30.6 -22.9 -17.6 29.4 420 73 C X H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.948 110.9 48.3 -62.4 -46.7 -21.2 -15.5 26.6 421 74 C N H X S+ 0 0 9 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.912 112.1 49.6 -59.0 -40.4 -24.2 -16.4 24.4 422 75 C S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.941 107.5 52.3 -66.5 -45.2 -26.6 -15.5 27.2 423 76 C Y H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.927 110.1 49.9 -55.1 -46.4 -25.0 -12.1 27.9 424 77 C I H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.911 108.0 53.9 -58.3 -43.1 -25.3 -11.3 24.2 425 78 C R H X S+ 0 0 16 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.859 105.2 54.1 -61.5 -35.7 -29.0 -12.4 24.3 426 79 C F H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.947 110.4 46.2 -60.4 -48.4 -29.6 -10.0 27.2 427 80 C K H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.872 110.8 51.9 -68.8 -33.7 -28.2 -7.1 25.1 428 81 C L H >X S+ 0 0 4 -4,-2.5 4,-1.3 1,-0.2 3,-0.6 0.917 110.4 50.8 -60.4 -43.2 -30.2 -8.1 22.0 429 82 C S H 3< S+ 0 0 1 -4,-2.1 5,-0.3 1,-0.2 -2,-0.2 0.799 109.5 49.3 -66.1 -31.3 -33.3 -8.1 24.2 430 83 C L H 3< S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.660 119.6 36.4 -79.8 -19.0 -32.6 -4.7 25.6 431 84 C T H << S+ 0 0 25 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.2 0.427 115.2 48.5-117.1 -4.0 -32.0 -3.1 22.2 432 85 C E S < S- 0 0 48 -4,-1.3 2,-0.8 -5,-0.1 -1,-0.0 -0.943 89.0-100.7-134.6 156.0 -34.5 -4.9 19.9 433 86 C E S S- 0 0 155 -2,-0.3 -3,-0.1 1,-0.3 -4,-0.1 -0.688 92.5 -38.3 -83.7 109.9 -38.3 -5.6 20.3 434 87 C T S S- 0 0 62 -2,-0.8 -1,-0.3 -5,-0.3 52,-0.2 0.905 86.7-153.1 34.9 68.4 -38.6 -9.2 21.4 435 88 C P - 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