==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-09 3JR6 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.SAGERMANN,W.A.BAAS,B.W.MATTHEWS . 654 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 5.5 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 . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 49.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.8 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 3 2 9 5 0 1 1 4 2 0 0 0 0 4 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 6 3 2 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 . 3 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 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 M 0 0 107 0, 0.0 2,-0.3 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0-173.7 44.5 23.7 17.9 2 2 A N >> - 0 0 64 1,-0.1 4,-1.7 162,-0.1 3,-0.6 -0.899 360.0 -84.6-150.7-175.8 43.7 25.1 21.3 3 3 A I H 3> S+ 0 0 37 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.764 117.9 62.2 -61.9 -31.5 41.3 25.4 24.1 4 4 A F H 3> S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.825 107.0 40.9 -67.9 -34.7 39.4 28.1 22.4 5 5 A E H <> S+ 0 0 47 -3,-0.6 4,-2.2 2,-0.2 5,-0.2 0.802 114.0 59.0 -77.6 -35.7 38.4 26.0 19.4 6 6 A M H >X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 3,-0.6 0.986 111.0 35.7 -59.0 -64.6 37.8 23.3 21.9 7 7 A L H 3X>S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.8 0.873 110.1 65.9 -61.1 -33.7 35.2 25.2 23.9 8 8 A R H 3<5S+ 0 0 68 -4,-1.6 5,-0.3 -5,-0.3 -1,-0.2 0.917 111.3 35.6 -51.0 -47.4 33.9 26.8 20.8 9 9 A I H <<5S+ 0 0 39 -4,-2.2 -2,-0.2 -3,-0.6 -1,-0.2 0.956 117.7 53.0 -72.5 -49.1 32.7 23.4 19.7 10 10 A D H <5S- 0 0 14 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.682 136.2 -7.9 -64.5 -16.8 31.9 22.3 23.2 11 11 A E T <5S- 0 0 84 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.433 101.1-103.3-140.4 -63.4 29.6 25.2 24.1 12 12 A G < - 0 0 26 -5,-0.8 2,-0.8 2,-0.0 18,-0.3 -0.149 6.6-110.8 131.5 135.6 29.6 28.0 21.5 13 13 A L - 0 0 36 -5,-0.3 2,-0.6 16,-0.1 16,-0.2 -0.809 29.9-162.2 -90.4 105.3 30.7 31.4 20.4 14 14 A R E -A 28 0A 72 14,-2.5 14,-2.6 -2,-0.8 4,-0.1 -0.831 3.2-164.1 -91.5 122.3 27.7 33.8 20.4 15 15 A L E + 0 0 61 -2,-0.6 49,-1.4 12,-0.2 2,-0.5 0.596 70.0 59.7 -79.9 -15.1 28.6 36.9 18.3 16 16 A K E S-C 63 0B 76 47,-0.2 47,-0.2 12,-0.1 -1,-0.1 -0.982 92.6-107.2-124.1 126.4 25.7 39.1 19.6 17 17 A I E - 0 0 21 45,-2.1 2,-0.5 -2,-0.5 10,-0.2 -0.122 38.3-169.9 -41.6 123.1 25.1 40.1 23.2 18 18 A Y E -A 26 0A 75 8,-1.9 8,-1.8 -4,-0.1 2,-0.9 -0.986 22.6-129.9-130.0 123.6 22.2 38.2 24.5 19 19 A K E -A 25 0A 77 -2,-0.5 6,-0.3 6,-0.2 450,-0.1 -0.607 37.1-120.4 -70.1 104.8 20.6 39.1 27.8 20 20 A D E > -A 24 0A 34 4,-4.5 4,-0.9 -2,-0.9 -1,-0.1 0.049 18.2-110.8 -43.1 160.5 20.4 35.8 29.6 21 21 A T T 4 S+ 0 0 125 2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.920 111.6 44.5 -61.3 -55.7 17.1 34.6 30.6 22 22 A E T 4 S- 0 0 123 1,-0.1 -1,-0.2 2,-0.1 2,-0.0 0.953 134.8 -65.7 -60.2 -37.4 17.4 34.9 34.4 23 23 A G T 4 S+ 0 0 9 1,-0.1 2,-0.2 0, 0.0 -2,-0.2 -0.078 92.9 101.0 144.0 79.9 19.0 38.3 34.4 24 24 A Y E < -A 20 0A 48 -4,-0.9 -4,-4.5 17,-0.1 2,-0.6 -0.746 56.5-123.7 175.3 140.2 22.4 38.6 32.8 25 25 A Y E +AB 19 33A 15 8,-0.7 8,-3.2 -6,-0.3 2,-0.2 -0.834 33.8 169.8-101.3 119.7 24.4 39.7 29.7 26 26 A T E +A 18 0A 2 -8,-1.8 -8,-1.9 -2,-0.6 2,-0.3 -0.729 2.5 163.7-117.1 169.1 26.7 37.2 28.0 27 27 A I E > + 0 0 0 4,-0.4 4,-1.9 -2,-0.2 -12,-0.2 -0.958 52.1 16.1-176.1 165.0 28.6 37.1 24.7 28 28 A G E 4 S-A 14 0A 2 -14,-2.6 -14,-2.5 -2,-0.3 2,-1.2 -0.396 132.3 -8.2 58.2-130.8 31.3 35.3 23.0 29 29 A I T 4 S- 0 0 6 40,-0.3 -1,-0.2 -16,-0.2 -16,-0.1 -0.536 122.2 -62.4 -99.3 73.7 31.9 32.1 25.0 30 30 A G T 4 S+ 0 0 32 -2,-1.2 2,-1.2 -18,-0.3 -2,-0.2 0.708 84.0 156.5 63.3 18.7 29.6 32.7 28.0 31 31 A H < - 0 0 12 -4,-1.9 -4,-0.4 38,-0.0 -1,-0.2 -0.661 32.4-151.2 -74.7 98.5 31.7 35.7 29.0 32 32 A L - 0 0 21 -2,-1.2 2,-0.4 -6,-0.2 -6,-0.3 -0.290 1.4-137.4 -71.1 163.1 29.2 37.5 31.1 33 33 A L B S+B 25 0A 1 -8,-3.2 -8,-0.7 1,-0.1 9,-0.5 -0.979 76.1 48.0-125.0 130.7 29.3 41.3 31.4 34 34 A G + 0 0 15 -2,-0.4 5,-0.3 1,-0.4 2,-0.2 0.127 58.4 142.8 131.8 -18.6 28.7 43.3 34.6 35 35 A I + 0 0 13 5,-0.2 -1,-0.4 -3,-0.1 2,-0.3 -0.344 36.1 131.9 -53.1 115.2 31.0 41.4 36.9 36 36 A G B > -D 39 0C 23 3,-1.6 3,-3.1 -2,-0.2 5,-0.1 -0.871 63.8 -3.1-171.4 138.7 32.3 44.4 38.9 37 37 A H T 3 S- 0 0 131 1,-0.3 225,-0.1 -2,-0.3 3,-0.1 0.882 126.5 -64.7 44.0 32.8 32.8 45.7 42.4 38 38 A L T 3 S+ 0 0 1 1,-0.2 2,-0.5 195,-0.2 -1,-0.3 0.701 112.7 118.1 66.1 18.5 31.3 42.2 43.2 39 39 A L B < -D 36 0C 77 -3,-3.1 -3,-1.6 -5,-0.3 -1,-0.2 -0.976 46.8-164.9-118.6 128.5 27.9 43.1 41.7 40 40 A T + 0 0 8 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 0.710 58.0 86.0 -91.5 -26.1 26.9 40.9 38.7 41 41 A K - 0 0 86 1,-0.1 -7,-0.1 -7,-0.1 -17,-0.1 -0.680 65.3-146.3 -81.5 132.9 24.1 42.6 36.9 42 42 A S - 0 0 10 -9,-0.5 -1,-0.1 -2,-0.4 -8,-0.1 0.718 30.4-126.7 -70.6 -22.7 25.3 45.2 34.2 43 43 A P S S- 0 0 108 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.656 73.4 -16.4 82.8 17.1 22.2 47.5 34.8 44 44 A S S S- 0 0 44 1,-0.1 -2,-0.1 2,-0.1 -19,-0.1 -0.885 73.4 -84.6 149.7 176.3 21.4 47.5 31.1 45 45 A L S > S+ 0 0 68 -2,-0.3 4,-2.3 3,-0.1 -1,-0.1 0.744 119.1 59.3 -81.3 -21.6 22.3 46.9 27.5 46 46 A N H > S+ 0 0 126 2,-0.3 4,-1.0 1,-0.2 -2,-0.1 0.810 111.4 33.9 -85.2 -37.0 23.9 50.3 27.4 47 47 A A H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.836 116.3 67.4 -76.2 -26.8 26.4 49.9 30.1 48 48 A A H > S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 -2,-0.3 0.905 105.2 35.6 -52.4 -49.7 26.4 46.4 28.6 49 49 A K H X S+ 0 0 48 -4,-2.3 4,-3.2 2,-0.2 -1,-0.3 0.672 115.9 56.7 -78.0 -21.3 27.9 47.4 25.3 50 50 A S H X S+ 0 0 54 -4,-1.0 4,-3.5 -3,-0.3 5,-0.2 0.944 108.2 44.3 -76.3 -49.7 30.2 50.0 26.9 51 51 A E H X S+ 0 0 57 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.958 118.8 47.9 -55.9 -46.3 31.9 47.6 29.3 52 52 A L H X S+ 0 0 2 -4,-1.5 4,-1.9 -5,-0.5 -2,-0.3 0.934 110.1 50.7 -60.3 -47.2 31.9 45.5 26.2 53 53 A D H X S+ 0 0 28 -4,-3.2 4,-3.6 1,-0.2 5,-0.5 0.962 109.5 50.1 -54.1 -55.3 33.3 48.3 24.0 54 54 A K H < S+ 0 0 159 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.935 106.2 55.5 -49.2 -55.8 36.1 49.1 26.5 55 55 A A H < S+ 0 0 56 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.911 120.7 31.5 -38.4 -61.9 37.2 45.5 26.7 56 56 A I H < S- 0 0 44 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.919 100.4-127.3 -66.5 -55.3 37.6 45.4 23.0 57 57 A G S < S+ 0 0 64 -4,-3.6 2,-0.2 1,-0.4 -3,-0.2 0.850 73.1 73.2 98.7 58.1 38.6 49.0 21.9 58 58 A R S S- 0 0 194 -5,-0.5 2,-0.5 2,-0.1 -1,-0.4 -0.933 90.6 -85.0-176.1 175.8 36.0 49.9 19.2 59 59 A N + 0 0 113 -2,-0.2 2,-0.2 -3,-0.1 -6,-0.1 -0.259 52.7 161.6 -96.0 48.8 32.3 50.9 18.9 60 60 A T - 0 0 16 -2,-0.5 -7,-0.2 1,-0.2 -2,-0.1 -0.473 34.9-148.4 -61.0 137.0 30.6 47.6 18.8 61 61 A N S S- 0 0 116 -2,-0.2 -1,-0.2 2,-0.1 -12,-0.1 0.305 82.3 -48.5 -88.0 5.3 26.9 48.3 19.6 62 62 A G S S+ 0 0 3 1,-0.4 -45,-2.1 -13,-0.2 2,-0.4 0.492 118.4 102.5 131.4 23.8 26.9 44.7 21.2 63 63 A V B +C 16 0B 50 -47,-0.2 -1,-0.4 -14,-0.1 -47,-0.2 -0.983 37.5 163.8-138.5 126.6 28.5 42.8 18.4 64 64 A I - 0 0 8 -49,-1.4 2,-0.2 -2,-0.4 -3,-0.0 -0.390 32.6-105.6-119.8-163.0 32.1 41.6 18.2 65 65 A T > - 0 0 67 -2,-0.2 4,-3.3 1,-0.1 5,-0.2 -0.718 32.0 -99.4-123.6 173.7 33.9 39.0 16.1 66 66 A K H > S+ 0 0 79 2,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.937 125.3 48.1 -62.8 -46.4 35.2 35.4 16.7 67 67 A D H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.953 112.4 50.7 -58.7 -43.7 38.8 36.7 17.1 68 68 A E H 4 S+ 0 0 59 1,-0.3 3,-0.2 2,-0.2 -2,-0.2 0.947 108.0 51.1 -55.2 -51.0 37.4 39.3 19.4 69 69 A A H >X S+ 0 0 1 -4,-3.3 4,-1.1 1,-0.2 3,-0.7 0.765 108.0 57.1 -59.3 -23.4 35.6 36.5 21.3 70 70 A E H >X S+ 0 0 34 -4,-1.6 4,-1.8 -3,-0.4 3,-0.5 0.939 94.1 59.9 -77.4 -41.7 38.9 34.8 21.5 71 71 A K H 3< S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.197 111.4 46.8 -69.7 21.0 40.9 37.5 23.2 72 72 A L H <> S+ 0 0 8 -3,-0.7 4,-1.7 -5,-0.2 -1,-0.3 0.577 104.6 55.3-128.9 -30.7 38.3 37.1 26.0 73 73 A F H XX S+ 0 0 3 -4,-1.1 4,-4.1 -3,-0.5 3,-1.8 0.996 108.0 48.1 -67.0 -61.5 38.2 33.4 26.4 74 74 A N H 3X S+ 0 0 51 -4,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.839 111.4 54.2 -47.5 -31.3 41.9 33.1 26.9 75 75 A Q H 3> S+ 0 0 116 -5,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.842 114.2 39.2 -71.0 -34.9 41.3 35.9 29.4 76 76 A D H X S+ 0 0 4 -4,-2.1 3,-2.6 1,-0.2 4,-1.6 0.957 104.1 58.4 -67.5 -47.8 39.8 30.1 35.7 81 81 A V H 3X S+ 0 0 25 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.853 101.5 60.4 -49.1 -33.8 43.3 28.8 36.2 82 82 A R H 3< S+ 0 0 47 -4,-2.0 4,-0.4 1,-0.2 -1,-0.3 0.777 103.8 47.8 -68.0 -26.4 43.4 31.3 39.0 83 83 A G H << S+ 0 0 11 -3,-2.6 190,-0.5 -4,-0.6 4,-0.3 0.812 110.0 50.4 -85.5 -27.6 40.6 29.7 40.8 84 84 A I H >< S+ 0 0 0 -4,-1.6 7,-1.0 1,-0.2 3,-0.8 0.853 103.7 58.5 -73.5 -37.3 41.9 26.2 40.5 85 85 A L T 3< S+ 0 0 46 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.680 106.4 49.4 -66.8 -20.5 45.2 27.1 41.9 86 86 A R T 3 S+ 0 0 53 -4,-0.4 2,-0.7 -3,-0.3 -1,-0.3 0.534 96.3 88.4 -91.6 -15.4 43.5 28.4 45.0 87 87 A N <> - 0 0 2 -3,-0.8 4,-2.5 -4,-0.3 185,-0.2 -0.794 63.9-161.3 -92.8 110.9 41.6 25.1 45.1 88 88 A A T 4 S+ 0 0 83 -2,-0.7 -1,-0.2 183,-0.4 184,-0.1 0.832 89.2 52.5 -61.0 -34.0 43.6 22.5 47.1 89 89 A K T > S+ 0 0 84 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.992 120.0 28.9 -69.7 -53.5 41.6 19.6 45.6 90 90 A L H >> S+ 0 0 0 1,-0.2 4,-3.2 2,-0.1 3,-0.9 0.906 106.6 71.8 -72.5 -46.2 42.1 20.5 41.8 91 91 A K H 3X S+ 0 0 29 -4,-2.5 4,-3.3 -7,-1.0 5,-0.2 0.861 95.1 49.9 -38.6 -59.5 45.5 22.3 41.9 92 92 A P H 3> S+ 0 0 49 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.884 117.1 43.9 -53.1 -36.4 47.7 19.3 42.6 93 93 A V H > - 0 0 63 -2,-0.1 4,-2.0 1,-0.1 3,-0.8 -0.425 39.1 -91.3 -71.9 152.4 50.1 18.4 30.5 99 99 A A H 3> S+ 0 0 69 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.756 127.2 46.8 -28.2 -60.9 48.7 21.3 28.5 100 100 A V H 3> S+ 0 0 24 1,-0.3 4,-2.3 62,-0.2 -1,-0.3 0.945 115.9 45.8 -54.2 -49.7 46.2 19.3 26.5 101 101 A R H <> S+ 0 0 27 -3,-0.8 4,-1.4 1,-0.2 -1,-0.3 0.758 109.6 56.9 -67.0 -23.0 45.0 17.5 29.6 102 102 A R H >X S+ 0 0 73 -4,-2.0 4,-3.2 2,-0.2 3,-0.6 0.969 105.9 48.4 -68.5 -54.5 44.9 20.9 31.4 103 103 A A H 3X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.921 106.6 58.4 -49.6 -47.5 42.5 22.2 28.7 104 104 A A H 3X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -1,-0.3 0.890 111.8 40.9 -49.6 -44.9 40.5 19.1 29.2 105 105 A L H XX S+ 0 0 0 -4,-1.4 3,-2.3 -3,-0.6 4,-2.0 0.987 110.6 54.0 -66.6 -62.3 40.2 20.0 32.9 106 106 A I H 3X S+ 0 0 1 -4,-3.2 4,-2.3 1,-0.3 -2,-0.2 0.835 104.4 62.1 -40.6 -36.5 39.6 23.7 32.3 107 107 A N H 3X S+ 0 0 0 -4,-2.8 4,-1.2 -5,-0.3 -1,-0.3 0.820 103.5 44.1 -61.4 -38.0 36.8 22.4 30.0 108 108 A M H S+ 0 0 7 128,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.654 130.5 55.6 -50.6 -26.8 35.3 23.7 40.4 115 115 A T H > S+ 0 0 32 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.963 105.2 51.4 -73.4 -47.1 33.0 21.9 42.8 116 116 A G H >X S+ 0 0 23 -4,-0.9 3,-0.6 -3,-0.5 4,-0.5 0.905 116.6 40.4 -51.8 -49.1 31.5 19.7 40.2 117 117 A V H >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.893 109.7 59.4 -66.2 -41.0 34.9 18.7 38.9 118 118 A A H 3< S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.642 95.6 67.2 -64.8 -14.1 36.2 18.4 42.5 119 119 A G H << S+ 0 0 52 -4,-1.1 2,-2.9 -3,-0.6 -1,-0.3 0.783 75.6 82.4 -76.9 -29.8 33.5 15.8 43.0 120 120 A F + 0 0 70 -2,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.923 66.5 27.9 -50.9 -65.2 37.3 12.2 43.5 122 122 A N H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.801 115.9 62.2 -76.4 -23.6 39.1 9.1 42.4 123 123 A S H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.888 110.1 43.4 -62.1 -37.3 38.8 10.0 38.7 124 124 A L H X S+ 0 0 8 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.914 108.3 56.4 -70.4 -46.1 40.9 12.9 39.8 125 125 A R H X S+ 0 0 170 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.763 107.7 53.2 -58.5 -22.5 43.1 10.6 41.9 126 126 A M H X>S+ 0 0 18 -4,-1.6 5,-2.4 2,-0.2 4,-0.7 0.912 103.3 50.1 -78.9 -47.3 43.7 8.7 38.7 127 127 A L H <5S+ 0 0 2 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.677 109.1 55.7 -66.1 -21.3 44.9 11.5 36.4 128 128 A Q H <5S+ 0 0 74 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.831 109.6 44.3 -82.5 -27.9 47.3 12.5 39.0 129 129 A Q H <5S- 0 0 88 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.614 114.7-122.1 -88.4 -7.8 48.7 9.0 39.0 130 130 A K T <5 + 0 0 120 -4,-0.7 2,-1.7 1,-0.2 -3,-0.2 0.695 64.1 144.0 71.0 30.0 48.7 9.1 35.2 131 131 A R >< + 0 0 87 -5,-2.4 4,-2.4 1,-0.2 3,-0.2 -0.599 22.6 172.0 -92.3 69.1 46.4 6.1 34.9 132 132 A W H >> + 0 0 43 -2,-1.7 4,-2.7 1,-0.2 3,-0.9 0.929 66.0 51.9 -41.8 -75.9 44.7 7.6 32.0 133 133 A D H 3> S+ 0 0 105 1,-0.3 4,-2.6 27,-0.2 -1,-0.2 0.772 114.8 43.9 -30.9 -50.3 42.6 4.7 30.8 134 134 A E H 3> S+ 0 0 93 -3,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.871 109.6 53.9 -72.3 -38.6 41.1 4.2 34.3 135 135 A A H X S+ 0 0 9 -4,-2.7 3,-1.4 1,-0.2 4,-1.3 0.923 111.5 45.6 -44.0 -73.4 38.7 7.8 31.6 137 137 A V H >< S+ 0 0 85 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.847 114.4 51.9 -39.7 -47.4 36.5 4.8 32.4 138 138 A N H >< S+ 0 0 44 -4,-2.9 3,-1.2 1,-0.2 -1,-0.3 0.867 102.8 57.0 -62.1 -39.4 35.9 6.3 35.7 139 139 A L H << S+ 0 0 2 -4,-2.4 3,-0.4 -3,-1.4 6,-0.4 0.790 100.5 59.7 -66.4 -23.5 34.8 9.6 34.3 140 140 A A T << S+ 0 0 37 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.300 83.7 75.5 -91.1 10.2 32.1 8.0 32.3 141 141 A K S < S+ 0 0 167 -3,-1.2 2,-0.3 -4,-0.1 -1,-0.2 -0.168 83.0 106.4-105.5 32.5 30.1 6.4 35.2 142 142 A S S > S- 0 0 26 -3,-0.4 4,-1.1 1,-0.1 5,-0.1 -0.750 85.0-121.3-113.5 160.7 28.8 9.9 35.9 143 143 A R H > S+ 0 0 182 -2,-0.3 4,-4.9 1,-0.2 5,-0.2 0.833 115.9 64.6 -64.7 -29.2 25.5 11.7 35.5 144 144 A W H > S+ 0 0 10 2,-0.3 4,-3.7 1,-0.3 -1,-0.2 0.962 97.3 49.4 -56.6 -57.8 27.7 14.0 33.4 145 145 A Y H 4 S+ 0 0 76 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.822 121.4 39.3 -49.6 -35.3 28.5 11.4 30.8 146 146 A N H < S+ 0 0 123 -4,-1.1 -2,-0.3 2,-0.2 -1,-0.2 0.876 111.8 53.1 -82.3 -47.8 24.8 10.8 30.8 147 147 A Q H < S+ 0 0 119 -4,-4.9 -3,-0.2 1,-0.3 -2,-0.2 0.941 136.1 8.0 -55.2 -50.3 23.6 14.5 31.1 148 148 A T S X S+ 0 0 50 -4,-3.7 4,-1.3 -5,-0.2 -1,-0.3 -0.762 71.2 170.0-138.6 97.0 25.9 15.2 28.1 149 149 A P H > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.910 75.9 50.3 -67.7 -50.9 27.4 12.1 26.4 150 150 A N H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.959 114.9 40.6 -57.8 -56.9 28.9 13.7 23.2 151 151 A R H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.907 115.9 54.7 -59.9 -38.9 30.8 16.5 24.9 152 152 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.894 104.0 53.3 -60.3 -44.7 31.8 14.0 27.6 153 153 A K H X S+ 0 0 102 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.887 110.3 48.2 -56.6 -43.5 33.3 11.6 25.1 154 154 A R H X S+ 0 0 41 -4,-1.8 4,-2.5 2,-0.2 3,-0.4 0.965 111.9 46.3 -65.9 -52.5 35.5 14.3 23.6 155 155 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.903 113.9 49.7 -56.1 -42.8 36.8 15.6 26.8 156 156 A I H X S+ 0 0 15 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.780 108.6 51.7 -70.2 -26.5 37.5 12.0 28.1 157 157 A T H X S+ 0 0 26 -4,-1.5 4,-3.0 -3,-0.4 5,-0.4 0.898 110.6 50.0 -73.3 -38.5 39.3 11.1 24.9 158 158 A T H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.868 112.5 46.6 -65.3 -38.0 41.4 14.2 25.4 159 159 A F H < S+ 0 0 1 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.876 117.3 43.9 -69.9 -42.4 42.1 13.2 29.0 160 160 A R H < S+ 0 0 106 -4,-2.1 -27,-0.2 -5,-0.2 -2,-0.2 0.890 127.4 26.8 -75.8 -37.5 42.9 9.7 28.0 161 161 A T H < S- 0 0 34 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.633 83.6-144.9 -98.0 -17.3 45.0 10.4 25.0 162 162 A G S < S+ 0 0 12 -4,-1.7 -62,-0.2 -5,-0.4 2,-0.2 0.581 70.6 108.3 61.3 4.2 46.3 13.8 25.9 163 163 A T S S- 0 0 55 -6,-0.4 3,-0.3 -63,-0.1 -1,-0.2 -0.590 82.5-117.4-103.7 170.9 46.0 14.4 22.1 164 164 A W S > S+ 0 0 63 -2,-0.2 3,-1.5 1,-0.2 4,-0.4 0.075 70.2 126.3 -96.1 20.4 43.4 16.6 20.3 165 165 A D G > + 0 0 109 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.798 59.3 64.6 -49.6 -41.4 41.8 13.6 18.4 166 166 A A G 3 S+ 0 0 29 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.709 107.3 40.9 -57.9 -26.9 38.2 14.2 19.4 167 167 A Y G X S+ 0 0 4 -3,-1.5 3,-2.0 1,-0.1 -1,-0.3 0.384 75.1 125.1-103.3 -0.6 37.9 17.5 17.7 168 168 A K T < S+ 0 0 156 -3,-1.4 -1,-0.1 -4,-0.4 -2,-0.1 0.701 88.5 18.9 -31.3 -39.0 39.8 16.4 14.5 169 169 A N T 3 0 0 123 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.379 360.0 360.0-125.2 12.3 36.9 17.5 12.3 170 170 A L < 0 0 129 -3,-2.0 -1,-0.1 -4,-0.0 -2,-0.1 0.010 360.0 360.0 -97.9 360.0 34.6 19.8 14.1 171 !* 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 0.0 172 1 B M 0 0 103 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-164.1 35.1 50.7 52.7 173 2 B N > - 0 0 53 1,-0.2 4,-1.6 150,-0.1 3,-0.4 -0.996 360.0 -97.0-167.2 164.5 35.8 47.8 50.4 174 3 B I H >> S+ 0 0 10 -2,-0.3 4,-2.2 1,-0.2 3,-1.0 0.885 116.7 56.4 -43.0 -57.8 37.0 44.2 49.6 175 4 B F H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.906 109.3 45.8 -41.9 -57.9 40.4 45.4 48.6 176 5 B E H 34 S+ 0 0 46 -3,-0.4 4,-0.4 1,-0.2 -1,-0.3 0.740 108.4 59.9 -54.8 -33.7 40.9 47.1 52.0 177 6 B M H XX S+ 0 0 0 -4,-1.6 4,-2.5 -3,-1.0 3,-0.9 0.950 110.8 36.1 -63.9 -54.1 39.6 44.0 53.7 178 7 B L H 3X>S+ 0 0 1 -4,-2.2 4,-3.7 2,-0.3 5,-1.9 0.854 104.1 69.7 -70.8 -32.0 42.2 41.5 52.4 179 8 B R H 3<>S+ 0 0 85 -4,-2.1 5,-0.7 -5,-0.4 -1,-0.3 0.758 113.1 36.8 -53.0 -21.9 44.9 44.2 52.5 180 9 B I H <45S+ 0 0 86 -3,-0.9 -2,-0.3 -4,-0.4 -1,-0.2 0.860 125.1 34.2 -93.9 -58.4 44.1 43.4 56.1 181 10 B D H <5S+ 0 0 21 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.890 137.6 20.3 -71.9 -39.1 43.4 39.7 56.3 182 11 B E T <5S- 0 0 95 -4,-3.7 -3,-0.2 -5,-0.1 -4,-0.1 0.901 104.0-126.2 -93.6 -61.1 46.0 38.8 53.5 183 12 B G T < - 0 0 31 -5,-1.9 2,-0.5 17,-0.0 18,-0.2 0.034 11.7 -99.0 116.7 133.5 48.4 41.7 53.3 184 13 B L < - 0 0 50 -5,-0.7 2,-0.5 16,-0.1 16,-0.2 -0.720 30.0-175.2 -92.0 127.5 49.7 43.9 50.6 185 14 B R - 0 0 84 -2,-0.5 14,-2.0 14,-0.5 16,-0.1 -0.910 1.8-175.1-124.3 100.4 53.0 43.2 49.1 186 15 B L + 0 0 48 -2,-0.5 37,-2.1 12,-0.2 2,-0.4 0.310 65.7 55.0 -83.0 7.2 54.2 45.9 46.6 187 16 B K B S-E 222 0D 116 35,-0.2 35,-0.2 12,-0.1 10,-0.1 -0.991 93.9-102.2-138.7 130.8 57.4 44.4 45.2 188 17 B I + 0 0 27 33,-1.3 2,-0.2 -2,-0.4 10,-0.2 0.245 48.0 156.0 -42.4 172.6 57.5 40.9 43.6 189 18 B Y E -F 197 0E 73 8,-0.7 8,-2.4 -4,-0.0 2,-0.3 -0.867 45.2 -75.9 169.7 162.3 58.8 37.8 45.4 190 19 B K E -F 196 0E 118 -2,-0.2 6,-0.2 6,-0.2 5,-0.2 -0.578 48.3-131.5 -80.5 134.4 58.6 34.0 45.5 191 20 B D > - 0 0 34 4,-3.1 3,-3.0 -2,-0.3 -1,-0.1 -0.221 31.9 -90.7 -79.2 171.4 55.5 32.4 47.1 192 21 B T T 3 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.665 133.4 45.0 -51.5 -23.5 55.1 29.6 49.8 193 22 B E T 3 S- 0 0 111 2,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.061 126.2-102.8-108.8 13.9 54.9 27.2 46.7 194 23 B G S < S+ 0 0 46 -3,-3.0 -2,-0.1 1,-0.2 2,-0.0 -0.151 82.7 115.4 94.8 -40.6 57.9 28.9 44.9 195 24 B Y S S- 0 0 165 -2,-0.3 -4,-3.1 -5,-0.2 -1,-0.2 -0.243 71.9 -91.1 -70.9 153.8 56.1 31.0 42.2 196 25 B Y E +F 190 0E 109 -6,-0.2 8,-2.2 7,-0.1 2,-0.3 -0.300 47.9 170.4 -65.7 138.4 56.1 34.8 41.9 197 26 B T E +F 189 0E 12 -8,-2.4 -8,-0.7 6,-0.3 2,-0.3 -0.880 5.3 163.7-139.7 171.2 53.3 36.8 43.6 198 27 B I > + 0 0 1 -2,-0.3 4,-1.0 -10,-0.2 -12,-0.2 -0.955 47.8 30.1-173.9 176.3 52.6 40.4 44.3 199 28 B G T 4 S- 0 0 1 -14,-2.0 2,-2.4 -2,-0.3 -14,-0.5 -0.112 126.7 -24.3 51.6-158.7 49.8 42.7 45.3 200 29 B I T 4 S- 0 0 6 28,-0.4 -1,-0.2 1,-0.2 -16,-0.1 -0.441 127.1 -48.3 -82.7 70.3 47.3 41.0 47.4 201 30 B G T 4 S+ 0 0 35 -2,-2.4 2,-1.7 1,-0.2 -2,-0.2 0.400 86.4 154.5 86.5 -6.2 48.1 37.5 46.1 202 31 B H < - 0 0 15 -4,-1.0 -1,-0.2 -5,-0.1 2,-0.1 -0.361 30.3-162.2 -60.0 89.0 48.1 38.4 42.4 203 32 B L 0 0 52 -2,-1.7 -6,-0.3 -6,-0.2 -7,-0.1 -0.341 360.0 360.0 -79.5 154.3 50.4 35.6 41.3 204 33 B L 0 0 47 -8,-2.2 -7,-0.1 -2,-0.1 -1,-0.1 0.239 360.0 360.0-107.4 360.0 52.2 35.5 37.9 205 ! 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 0.0 206 47 B A > 0 0 91 0, 0.0 4,-3.0 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0 -63.6 58.9 37.9 32.3 207 48 B A H > + 0 0 23 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.902 360.0 36.1 -57.2 -31.7 57.3 37.6 35.7 208 49 B K H > S+ 0 0 102 2,-0.2 4,-6.4 3,-0.2 5,-0.3 0.891 111.3 57.9 -84.5 -42.9 58.0 41.3 35.2 209 50 B S H > S+ 0 0 75 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.741 112.4 43.8 -60.2 -22.2 57.2 41.5 31.5 210 51 B E H X S+ 0 0 81 -4,-3.0 4,-5.0 2,-0.2 -1,-0.2 0.903 120.1 40.6 -82.0 -55.0 53.7 40.1 32.3 211 52 B L H X S+ 0 0 0 -4,-1.3 4,-3.4 -5,-0.5 5,-0.4 0.966 115.4 52.7 -56.1 -56.9 53.3 42.5 35.2 212 53 B D H X>S+ 0 0 29 -4,-6.4 4,-1.7 2,-0.2 5,-1.1 0.922 116.6 37.5 -46.0 -52.1 54.9 45.2 33.2 213 54 B K H <5S+ 0 0 162 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.935 115.9 54.6 -68.6 -41.3 52.5 44.7 30.4 214 55 B A H <5S+ 0 0 57 -4,-5.0 -1,-0.2 1,-0.3 -2,-0.2 0.795 116.2 38.1 -57.6 -35.3 49.7 44.0 32.7 215 56 B I H <5S- 0 0 33 -4,-3.4 -1,-0.3 2,-0.2 -2,-0.2 0.618 102.8-133.3 -89.7 -19.6 50.4 47.3 34.5 216 57 B G T <5 + 0 0 63 -4,-1.7 2,-0.3 -5,-0.4 -3,-0.2 0.633 69.3 86.9 79.3 17.5 51.2 49.2 31.4 217 58 B R S - 0 0 66 -2,-0.2 4,-2.2 1,-0.1 5,-0.3 -0.737 28.1-109.1-107.9 152.3 52.0 51.2 43.7 225 66 B K H > S+ 0 0 100 -2,-0.3 4,-1.3 1,-0.3 3,-0.2 0.895 125.5 50.4 -47.1 -42.0 49.2 50.6 46.3 226 67 B D H >> S+ 0 0 92 1,-0.2 3,-0.8 2,-0.2 4,-0.8 0.947 107.4 52.3 -62.1 -45.6 47.0 52.0 43.6 227 68 B E H 3> S+ 0 0 56 1,-0.3 4,-1.2 2,-0.2 3,-0.3 0.783 109.2 51.8 -58.9 -29.9 48.4 49.6 41.0 228 69 B A H 3X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -28,-0.4 0.758 101.6 58.9 -79.6 -25.8 47.7 46.8 43.4 229 70 B E H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 3,-1.2 0.933 110.2 46.5 -47.6 -58.3 43.1 42.9 43.1 233 74 B N H 3X S+ 0 0 60 -4,-1.2 4,-2.9 1,-0.3 -1,-0.2 0.875 109.6 54.7 -51.8 -40.0 39.7 43.9 41.8 234 75 B Q H 3X S+ 0 0 114 -4,-2.0 4,-0.9 1,-0.2 -1,-0.3 0.817 108.0 51.5 -62.9 -28.7 40.4 42.3 38.5 235 76 B D H X S+ 0 0 0 -4,-3.7 4,-1.2 2,-0.2 3,-0.5 0.928 110.2 56.4 -57.8 -45.0 33.2 36.3 41.1 241 82 B R H >< S+ 0 0 31 -4,-1.5 3,-3.3 -5,-0.3 4,-0.3 0.960 108.0 42.1 -48.1 -86.2 33.2 35.0 37.6 242 83 B G H >X S+ 0 0 10 -4,-1.7 4,-1.1 1,-0.3 3,-0.7 0.614 106.4 67.2 -41.6 -13.8 34.1 31.4 38.2 243 84 B I H << S+ 0 0 2 -4,-0.9 -1,-0.3 -3,-0.5 6,-0.3 0.871 88.2 65.0 -77.4 -31.3 31.7 31.5 41.2 244 85 B L T << S+ 0 0 19 -3,-3.3 -1,-0.2 -4,-1.2 -2,-0.2 0.505 101.3 51.0 -68.5 -1.4 28.7 31.9 38.9 245 86 B R T <4 S+ 0 0 53 -3,-0.7 2,-0.4 -4,-0.3 -1,-0.2 0.847 84.4 90.3 -96.7 -50.8 29.4 28.4 37.5 246 87 B N >X - 0 0 1 -4,-1.1 4,-2.6 1,-0.2 3,-1.7 -0.278 63.2-163.6 -49.1 101.2 29.6 26.6 40.8 247 88 B A T 34 S+ 0 0 77 -135,-0.5 -1,-0.2 -2,-0.4 -134,-0.1 0.857 86.2 61.9 -62.2 -31.6 26.0 25.6 41.1 248 89 B K T 34 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.466 118.8 25.2 -77.6 5.7 26.6 24.9 44.8 249 90 B L T <> S+ 0 0 2 -3,-1.7 4,-2.0 -6,-0.3 5,-0.4 0.482 100.1 85.5-132.9 -24.7 27.6 28.6 45.5 250 91 B K H X S+ 0 0 47 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.910 92.4 44.8 -46.9 -55.1 25.8 30.4 42.8 251 92 B P H > S+ 0 0 62 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.898 113.4 50.1 -58.8 -45.0 22.5 30.8 44.6 252 93 B V H >> S+ 0 0 5 2,-0.2 3,-2.0 1,-0.2 4,-1.1 0.983 110.4 46.8 -59.1 -63.1 24.0 31.9 47.9 253 94 B Y H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.910 111.1 54.1 -47.5 -47.8 26.3 34.6 46.6 254 95 B D H 3< S+ 0 0 58 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.765 106.6 52.5 -60.2 -23.2 23.4 35.9 44.6 255 96 B S H << S+ 0 0 37 -3,-2.0 -1,-0.3 -4,-1.0 -2,-0.2 0.626 95.3 93.3 -85.8 -15.8 21.3 36.1 47.8 256 97 B L S << S- 0 0 9 -3,-1.2 31,-0.0 -4,-1.1 30,-0.0 -0.386 78.0-114.1 -84.2 155.4 23.9 38.1 49.7 257 98 B D > - 0 0 57 -2,-0.1 4,-1.7 1,-0.1 -1,-0.1 -0.257 42.0 -97.8 -73.2 173.9 24.3 41.9 50.1 258 99 B A H > S+ 0 0 36 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.748 121.9 46.7 -66.2 -27.8 27.3 43.5 48.5 259 100 B V H > S+ 0 0 27 2,-0.2 4,-2.2 62,-0.2 -1,-0.2 0.940 110.0 49.0 -80.0 -53.5 29.3 43.5 51.8 260 101 B R H > S+ 0 0 23 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.891 109.2 59.5 -51.9 -36.9 28.6 40.0 52.9 261 102 B R H >X S+ 0 0 23 -4,-1.7 4,-2.8 2,-0.3 3,-1.7 0.937 99.9 51.6 -56.0 -54.1 29.6 39.1 49.3 262 103 B A H 3X S+ 0 0 0 -4,-1.4 4,-1.0 1,-0.3 -1,-0.2 0.954 109.5 54.4 -46.2 -50.5 33.1 40.6 49.8 263 104 B A H 3X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.659 108.1 46.7 -56.6 -24.5 33.1 38.4 52.9 264 105 B L H S+ 0 0 6 -190,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.890 129.7 48.7 -62.7 -42.6 36.2 27.3 46.1 274 115 B T H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 105.7 59.0 -67.9 -36.5 35.6 23.8 47.2 275 116 B G H >< S+ 0 0 26 -4,-0.6 3,-0.7 1,-0.2 4,-0.4 0.966 107.1 46.6 -55.3 -53.1 36.8 24.6 50.7 276 117 B V H >< S+ 0 0 3 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.861 110.5 53.1 -53.6 -43.7 34.1 27.3 51.0 277 118 B A H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.778 92.3 73.7 -63.4 -31.2 31.4 24.8 49.6 278 119 B G T << S+ 0 0 56 -4,-1.9 2,-2.2 -3,-0.7 -1,-0.3 0.699 76.5 82.5 -56.5 -23.0 32.4 22.2 52.2 279 120 B F <> + 0 0 40 -3,-1.2 4,-2.5 -4,-0.4 -1,-0.2 -0.534 62.4 164.3 -83.3 67.3 30.6 24.4 54.8 280 121 B T H > + 0 0 71 -2,-2.2 4,-1.5 2,-0.2 3,-0.3 0.974 65.6 36.5 -52.0 -76.8 27.4 22.9 53.8 281 122 B N H > S+ 0 0 78 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.804 115.7 55.3 -51.6 -36.6 25.0 23.9 56.7 282 123 B S H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.979 104.8 53.3 -61.5 -52.3 26.6 27.3 57.1 283 124 B L H X S+ 0 0 8 -4,-2.5 4,-0.9 -3,-0.3 -2,-0.2 0.846 107.1 54.4 -51.3 -34.9 26.0 28.0 53.4 284 125 B R H >X S+ 0 0 98 -4,-1.5 4,-1.7 1,-0.2 3,-1.3 0.987 107.5 46.3 -63.5 -60.3 22.3 27.2 53.9 285 126 B M H 3X>S+ 0 0 15 -4,-2.0 5,-2.4 1,-0.3 4,-0.6 0.906 105.1 60.9 -50.5 -45.5 21.7 29.6 56.7 286 127 B L H 3<5S+ 0 0 4 -4,-2.0 3,-0.3 1,-0.2 -1,-0.3 0.808 107.1 49.3 -52.3 -30.8 23.4 32.5 54.9 287 128 B Q H <<5S+ 0 0 71 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.969 110.8 43.7 -75.3 -54.4 20.9 32.1 52.3 288 129 B Q H <5S- 0 0 94 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.303 118.0-113.3 -75.3 10.6 17.8 32.1 54.4 289 130 B K T <5 + 0 0 102 -4,-0.6 2,-2.5 -3,-0.3 -3,-0.2 0.667 63.2 154.8 64.1 25.3 19.5 35.0 56.3 290 131 B R >< + 0 0 56 -5,-2.4 4,-2.7 1,-0.2 3,-0.3 -0.399 15.7 169.3 -77.5 64.0 19.9 33.0 59.5 291 132 B W H > + 0 0 47 -2,-2.5 4,-2.3 1,-0.2 5,-0.2 0.836 63.2 48.4 -50.3 -52.0 22.8 35.2 60.4 292 133 B D H > S+ 0 0 105 1,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.894 116.6 42.1 -63.9 -37.8 23.5 34.2 64.0 293 134 B E H > S+ 0 0 89 -3,-0.3 4,-2.8 2,-0.2 5,-0.5 0.857 109.1 60.8 -74.7 -33.8 23.5 30.5 63.3 294 135 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.982 111.1 40.0 -50.5 -63.1 25.4 31.1 60.2 295 136 B A H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.859 115.6 52.5 -48.9 -49.1 28.2 32.6 62.4 296 137 B V H < S+ 0 0 83 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.991 112.9 39.9 -58.0 -64.8 27.8 30.0 65.0 297 138 B N H >< S+ 0 0 51 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.820 114.8 57.8 -58.0 -23.9 28.1 27.0 62.9 298 139 B L H >< S+ 0 0 4 -4,-2.3 3,-1.8 -5,-0.5 2,-0.5 0.938 97.6 58.5 -68.9 -47.2 30.9 28.8 60.9 299 140 B A T 3< S+ 0 0 37 -4,-2.9 -1,-0.3 -3,-0.4 -2,-0.1 0.064 92.2 70.7 -74.6 32.1 33.0 29.3 64.0 300 141 B K T < S+ 0 0 158 -3,-1.0 -1,-0.3 -2,-0.5 -2,-0.1 0.251 80.1 112.6-123.6 5.9 33.1 25.5 64.5 301 142 B S S <> S- 0 0 16 -3,-1.8 4,-1.8 1,-0.1 5,-0.1 -0.212 81.4-122.1 -80.6 165.6 35.4 25.0 61.5 302 143 B R H > S+ 0 0 170 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.763 114.6 66.8 -74.6 -18.4 38.9 23.9 61.2 303 144 B W H > S+ 0 0 16 2,-0.2 4,-2.3 3,-0.2 8,-0.3 0.901 101.7 41.0 -63.5 -51.6 39.1 27.3 59.4 304 145 B Y H 4 S+ 0 0 66 -6,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.965 117.8 49.9 -64.4 -51.3 38.4 29.4 62.5 305 146 B N H < S+ 0 0 106 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.931 112.9 43.8 -55.8 -49.6 40.6 27.2 64.4 306 147 B Q H < S+ 0 0 137 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.881 137.5 14.1 -64.6 -37.1 43.5 27.4 62.0 307 148 B T S X S+ 0 0 45 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.3 -0.556 74.8 167.4-145.2 79.4 43.1 31.1 61.6 308 149 B P H > S+ 0 0 51 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.838 72.4 50.4 -53.6 -58.4 40.8 32.5 64.4 309 150 B N H > S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.988 112.9 44.8 -57.5 -61.6 41.3 36.2 64.0 310 151 B R H >> S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 3,-1.4 0.948 116.4 47.5 -46.3 -59.5 40.7 36.4 60.3 311 152 B A H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 5,-0.4 0.858 105.2 60.7 -47.9 -42.6 37.6 34.1 60.7 312 153 B K H 3X S+ 0 0 119 -4,-2.8 4,-1.3 -3,-0.2 -1,-0.3 0.874 110.4 41.5 -55.1 -38.1 36.4 36.2 63.6 313 154 B R H X S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 4,-1.5 1.000 117.1 48.7 -58.3 -60.4 34.8 37.5 58.1 315 156 B I H 3X S+ 0 0 9 -4,-2.5 4,-1.3 1,-0.3 3,-0.3 0.817 110.4 50.8 -42.3 -44.4 32.3 35.7 60.3 316 157 B T H 3X S+ 0 0 30 -4,-1.3 4,-1.2 -5,-0.4 -1,-0.3 0.787 106.7 55.5 -68.0 -28.9 31.5 39.0 62.1 317 158 B T H S- 0 0 51 -5,-0.3 3,-0.8 -6,-0.3 2,-0.5 -0.998 76.9-123.8-140.4 141.1 29.1 45.8 57.9 323 164 B W G > S+ 0 0 48 -2,-0.4 3,-1.5 1,-0.2 4,-0.2 0.110 75.4 118.2 -69.3 25.8 32.8 46.5 57.8 324 165 B D G > + 0 0 117 -2,-0.5 3,-1.1 1,-0.3 4,-0.3 0.818 65.0 61.9 -65.7 -30.5 32.8 47.0 61.5 325 166 B A G < S+ 0 0 28 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.422 114.0 39.5 -73.0 3.5 35.3 44.1 62.1 326 167 B Y G < S+ 0 0 12 -3,-1.5 -1,-0.2 -13,-0.1 -2,-0.2 0.363 80.8 126.3-130.9 0.1 37.6 46.2 60.0 327 168 B K < 0 0 129 -3,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.747 360.0 360.0 -25.6 -71.3 36.7 49.7 61.4 328 169 B N 0 0 179 -4,-0.3 -1,-0.3 -3,-0.0 -4,-0.0 -0.453 360.0 360.0-122.6 360.0 40.1 51.0 62.3 329 !* 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 0.0 330 1 C M 0 0 101 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.0 8.8 52.4 13.0 331 2 C N >> - 0 0 67 1,-0.1 4,-1.8 152,-0.1 3,-1.4 -0.800 360.0 -72.4 168.8 157.2 8.4 49.9 10.2 332 3 C I H 3> S+ 0 0 33 1,-0.3 4,-3.4 -2,-0.2 5,-0.3 0.749 126.3 54.9 -31.8 -53.9 9.8 46.4 9.3 333 4 C F H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.922 112.0 44.3 -52.8 -47.0 13.2 47.6 8.3 334 5 C E H <> S+ 0 0 40 -3,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.902 112.6 53.0 -65.1 -40.9 13.6 49.3 11.6 335 6 C M H >X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 3,-0.6 0.928 112.6 43.4 -60.5 -47.7 12.2 46.2 13.5 336 7 C L H 3X>S+ 0 0 1 -4,-3.4 4,-4.0 1,-0.3 5,-1.8 0.890 103.7 62.6 -67.4 -38.3 14.6 43.9 11.8 337 8 C R H 3<5S+ 0 0 91 -4,-2.2 5,-0.5 -5,-0.3 -1,-0.3 0.779 112.6 42.6 -55.5 -24.4 17.6 46.2 12.3 338 9 C I H <<5S+ 0 0 43 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.942 121.0 35.9 -85.3 -62.9 16.7 45.6 15.9 339 10 C D H <5S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.882 138.8 13.7 -63.1 -41.1 16.0 41.9 15.9 340 11 C E T <5S- 0 0 91 -4,-4.0 -3,-0.2 -5,-0.2 -1,-0.1 0.850 100.5-130.3-102.5 -52.2 18.7 40.9 13.4 341 12 C G < - 0 0 25 -5,-1.8 2,-0.2 17,-0.1 -3,-0.2 -0.067 14.1 -89.0 111.7 146.2 21.0 43.9 12.9 342 13 C L - 0 0 37 -5,-0.5 2,-0.4 16,-0.1 16,-0.1 -0.579 23.5-166.3 -94.9 149.6 22.5 45.9 10.2 343 14 C R + 0 0 73 -2,-0.2 14,-3.8 1,-0.1 40,-0.1 -0.822 8.1 176.7-138.4 98.9 25.7 45.3 8.3 344 15 C L S S+ 0 0 67 -2,-0.4 39,-2.2 12,-0.2 2,-0.3 0.682 72.4 45.3 -78.8 -18.6 27.0 48.2 6.2 345 16 C K B S-G 382 0F 132 37,-0.2 2,-0.3 12,-0.1 12,-0.3 -0.756 99.4-101.1-114.2 162.7 30.2 46.7 5.0 346 17 C I + 0 0 39 35,-1.0 10,-0.2 -2,-0.3 2,-0.2 -0.700 45.1 161.6 -96.6 146.0 30.2 43.2 3.8 347 18 C Y E -H 355 0G 79 8,-0.8 8,-0.6 -2,-0.3 2,-0.4 -0.498 40.8 -80.1-135.2-161.7 31.3 40.1 5.6 348 19 C K E -H 354 0G 110 6,-0.2 6,-0.3 -2,-0.2 5,-0.1 -0.973 45.1-127.9-116.6 134.5 31.1 36.3 5.6 349 20 C D - 0 0 31 4,-4.3 5,-0.0 -2,-0.4 -1,-0.0 0.037 30.7 -92.7 -73.8 177.5 28.0 34.6 7.0 350 21 C T S S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.723 133.0 46.5 -62.3 -23.3 27.6 31.7 9.7 351 22 C E S S- 0 0 102 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.755 128.9-103.8 -86.1 -32.6 27.6 29.3 6.7 352 23 C G S S+ 0 0 25 1,-0.3 2,-0.1 0, 0.0 -2,-0.1 0.359 79.1 108.5 127.1 -4.5 30.6 31.1 5.3 353 24 C Y S S- 0 0 153 -5,-0.1 -4,-4.3 1,-0.1 2,-0.6 -0.467 72.4 -75.3-102.4 174.0 29.4 33.3 2.4 354 25 C Y E +H 348 0G 103 -6,-0.3 8,-1.6 -2,-0.1 9,-0.3 -0.560 50.2 159.4 -76.3 108.0 28.9 37.1 1.6 355 26 C T E -H 347 0G 8 -2,-0.6 -8,-0.8 -8,-0.6 2,-0.3 -0.458 12.4-176.5-109.0-178.5 25.8 38.9 3.2 356 27 C I > + 0 0 0 -2,-0.2 4,-2.3 -10,-0.2 3,-0.2 -0.897 50.2 4.2-172.7 161.3 25.6 42.7 3.6 357 28 C G T 4 S- 0 0 0 -14,-3.8 2,-2.7 -12,-0.3 -1,-0.1 -0.038 129.2 -7.3 48.4-152.5 23.0 44.9 5.2 358 29 C I T 4 S- 0 0 9 30,-0.3 -1,-0.2 1,-0.2 -16,-0.1 -0.265 128.6 -56.2 -70.8 56.8 20.1 43.2 6.9 359 30 C G T 4 S+ 0 0 37 -2,-2.7 2,-0.8 1,-0.2 -1,-0.2 0.754 81.3 163.2 81.0 23.3 21.0 39.7 5.7 360 31 C H < - 0 0 30 -4,-2.3 -1,-0.2 28,-0.0 -4,-0.2 -0.661 27.8-146.0 -78.8 110.7 21.1 40.3 2.0 361 32 C L - 0 0 98 -2,-0.8 -6,-0.2 -6,-0.2 3,-0.0 -0.371 16.6-167.6 -77.5 157.2 23.0 37.4 0.4 362 33 C L + 0 0 5 -8,-1.6 2,-3.5 -2,-0.1 8,-0.1 0.502 56.6 108.6-119.5 -12.2 25.1 37.9 -2.6 363 34 C G 0 0 65 -9,-0.3 -1,-0.1 1,-0.0 -2,-0.1 -0.200 360.0 360.0 -65.1 55.5 25.7 34.2 -3.7 364 35 C I 0 0 175 -2,-3.5 6,-0.1 -3,-0.0 -1,-0.0 -0.917 360.0 360.0-131.3 360.0 23.4 34.6 -6.7 365 ! 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 0.0 366 47 C A > 0 0 121 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -0.6 34.1 39.9 -6.3 367 48 C A T 3> + 0 0 13 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.504 360.0 83.7 -85.7 -7.0 30.5 40.1 -4.7 368 49 C K H 3> S+ 0 0 86 3,-0.2 4,-4.0 2,-0.2 5,-0.3 0.638 76.8 75.9 -66.5 -18.6 30.9 43.9 -5.2 369 50 C S H <> S+ 0 0 47 -3,-0.7 4,-4.8 2,-0.2 5,-0.2 0.969 102.6 27.6 -57.8 -85.5 29.7 43.2 -8.7 370 51 C E H > S+ 0 0 51 -4,-0.3 4,-9.0 2,-0.2 6,-0.3 0.818 123.2 55.7 -48.4 -35.3 26.0 42.6 -8.3 371 52 C L H X>S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.3 5,-0.7 0.989 114.2 37.2 -63.5 -57.1 26.2 44.9 -5.2 372 53 C D H X>S+ 0 0 46 -4,-4.0 4,-1.5 1,-0.2 5,-0.8 0.940 123.0 47.9 -56.3 -39.9 27.7 47.6 -7.4 373 54 C K H <5S+ 0 0 170 -4,-4.8 -2,-0.3 -5,-0.3 -3,-0.2 0.940 120.3 35.6 -64.3 -49.6 25.3 46.3 -10.0 374 55 C A H <5S+ 0 0 53 -4,-9.0 -3,-0.2 -5,-0.2 -2,-0.2 0.977 124.8 39.0 -66.1 -76.0 22.3 46.2 -7.5 375 56 C I H <5S- 0 0 32 -4,-1.2 -3,-0.2 -5,-0.2 -2,-0.2 0.711 101.0-141.3 -44.0 -28.7 23.1 49.4 -5.5 376 57 C G T << + 0 0 58 -4,-1.5 2,-0.2 -5,-0.7 -3,-0.2 0.987 63.7 82.6 58.1 69.9 24.2 51.1 -8.7 377 58 C R S - 0 0 3 -2,-2.6 3,-0.9 -11,-0.2 -1,-0.2 0.776 29.1-152.5 -65.0 -35.8 30.1 51.1 -3.4 380 61 C N T 3 S- 0 0 96 1,-0.2 -2,-0.1 -3,-0.2 -1,-0.0 0.927 70.8 -61.4 57.8 40.8 33.4 49.4 -2.6 381 62 C G T 3 S+ 0 0 5 1,-0.1 -35,-1.0 -36,-0.1 2,-0.3 0.776 119.3 103.9 57.2 29.9 31.5 47.1 -0.2 382 63 C V B < +G 345 0F 80 -3,-0.9 2,-0.2 -37,-0.2 -37,-0.2 -0.815 45.4 175.5-145.7 98.5 30.3 49.9 2.0 383 64 C I - 0 0 4 -39,-2.2 2,-0.2 -2,-0.3 -26,-0.1 -0.644 28.9-114.1 -99.2 161.8 26.7 50.9 1.6 384 65 C T > - 0 0 74 -2,-0.2 4,-3.5 1,-0.1 5,-0.3 -0.638 30.9-104.3 -95.4 156.6 24.8 53.5 3.6 385 66 C K H > S+ 0 0 66 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.760 124.7 50.0 -48.8 -34.1 21.9 52.8 6.0 386 67 C D H > S+ 0 0 102 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.940 112.4 45.7 -74.0 -44.2 19.5 54.2 3.3 387 68 C E H >> S+ 0 0 48 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.912 112.6 52.7 -63.7 -34.0 21.1 52.1 0.6 388 69 C A H 3X S+ 0 0 1 -4,-3.5 4,-1.2 1,-0.2 -30,-0.3 0.883 104.8 58.1 -65.8 -33.9 20.9 49.2 3.0 389 70 C E H 3X S+ 0 0 42 -4,-1.5 4,-1.0 -5,-0.3 -1,-0.2 0.616 101.9 49.3 -72.8 -20.6 17.2 49.9 3.5 390 71 C K H X S+ 0 0 112 -4,-2.3 3,-2.2 1,-0.2 4,-1.9 0.998 111.1 57.3 -58.8 -60.7 12.8 44.5 -2.0 395 76 C D H 3X S+ 0 0 36 -4,-2.7 4,-1.4 1,-0.3 3,-0.3 0.832 107.6 50.4 -29.8 -46.0 14.2 41.5 -0.1 396 77 C V H 3X S+ 0 0 11 -4,-3.4 4,-2.3 1,-0.2 -1,-0.3 0.860 105.6 53.8 -62.9 -37.9 10.8 41.8 1.9 397 78 C D H X S+ 0 0 25 -4,-2.3 4,-2.2 2,-0.2 3,-1.0 0.953 106.4 69.1 -69.1 -44.3 5.9 38.0 0.5 401 82 C R H 3< S+ 0 0 168 -4,-2.4 -2,-0.2 1,-0.3 3,-0.2 0.847 113.1 27.6 -35.4 -59.1 6.2 37.0 -3.2 402 83 C G H >X S+ 0 0 4 -4,-1.8 4,-1.4 1,-0.2 3,-0.7 0.539 108.4 71.9 -85.7 -10.8 6.6 33.4 -2.3 403 84 C I H << S+ 0 0 0 -4,-1.0 7,-0.5 -3,-1.0 6,-0.3 0.882 96.3 56.2 -68.5 -33.2 4.7 33.5 0.9 404 85 C L T 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.547 105.7 48.8 -73.9 -12.4 1.7 33.9 -1.3 405 86 C R T <4 S+ 0 0 180 -3,-0.7 2,-0.8 -5,-0.2 -1,-0.2 0.691 89.1 88.0 -97.3 -32.0 2.4 30.7 -3.2 406 87 C N S X S- 0 0 36 -4,-1.4 4,-1.9 1,-0.2 3,-0.5 -0.637 71.9-155.5 -68.8 106.6 2.9 28.6 0.0 407 88 C A T 4 S+ 0 0 86 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.1 0.578 84.5 57.7 -69.1 -7.4 -0.7 27.6 0.5 408 89 C K T 4 S+ 0 0 84 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.863 114.4 31.5 -92.0 -33.1 -0.3 27.2 4.2 409 90 C L T >> S+ 0 0 1 -3,-0.5 4,-2.7 -6,-0.3 3,-0.7 0.775 102.9 80.5 -90.2 -31.7 1.0 30.7 5.2 410 91 C K H 3X S+ 0 0 69 -4,-1.9 4,-2.5 -7,-0.5 5,-0.3 0.878 91.3 45.1 -39.2 -64.5 -0.9 32.6 2.5 411 92 C P H 3> S+ 0 0 61 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.806 114.7 50.5 -57.6 -30.6 -4.5 32.8 4.1 412 93 C V H <> S+ 0 0 4 -3,-0.7 4,-1.0 -4,-0.3 -2,-0.2 0.892 111.3 49.1 -72.5 -42.5 -2.9 33.8 7.5 413 94 C Y H >< S+ 0 0 20 -4,-2.7 3,-1.6 1,-0.2 -3,-0.2 0.980 108.2 50.0 -61.6 -58.6 -0.9 36.5 5.9 414 95 C D H 3< S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 108.2 58.5 -49.9 -33.1 -3.7 38.1 3.9 415 96 C S H 3< S+ 0 0 35 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.766 93.7 82.0 -71.3 -28.1 -5.8 38.1 7.1 416 97 C L S << S- 0 0 11 -3,-1.6 2,-0.2 -4,-1.0 31,-0.0 -0.151 78.9-108.3 -79.2 174.1 -3.4 40.2 9.1 417 98 C D > - 0 0 53 1,-0.1 4,-3.6 0, 0.0 5,-0.3 -0.590 40.0 -98.7 -95.5 159.9 -2.7 43.9 9.4 418 99 C A H > S+ 0 0 86 1,-0.2 4,-1.1 -2,-0.2 -1,-0.1 0.790 125.7 47.6 -49.6 -30.8 0.4 45.6 8.0 419 100 C V H >> S+ 0 0 31 2,-0.2 4,-1.6 1,-0.1 3,-0.6 0.968 112.7 44.4 -76.5 -55.2 1.8 45.5 11.5 420 101 C R H 3> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.909 108.3 61.7 -54.4 -38.5 1.1 41.9 12.2 421 102 C R H 3X S+ 0 0 74 -4,-3.6 4,-3.3 1,-0.3 3,-0.3 0.891 101.1 51.7 -53.2 -44.1 2.3 41.1 8.7 422 103 C A H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 3,-0.6 0.986 103.9 42.7 -60.6 -59.7 9.9 38.6 10.8 427 108 C M H 3X>S+ 0 0 4 -4,-1.4 4,-2.9 1,-0.3 5,-0.8 0.875 109.5 58.5 -53.5 -43.0 9.8 34.9 11.6 428 109 C V H 3X5S+ 0 0 19 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.909 108.5 46.8 -54.6 -41.9 10.1 34.0 7.9 429 110 C F H <<5S+ 0 0 62 -4,-1.9 -1,-0.2 -3,-0.6 -2,-0.2 0.893 118.0 43.1 -68.5 -36.2 13.3 35.9 7.9 430 111 C Q H <5S+ 0 0 52 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.990 132.2 10.6 -74.3 -60.9 14.5 34.3 11.0 431 112 C M H <5S- 0 0 57 -4,-2.9 4,-0.3 1,-0.2 -3,-0.2 0.581 102.6-110.3 -98.4 -11.7 13.5 30.6 10.6 432 113 C G X< - 0 0 28 -4,-1.2 4,-1.9 -5,-0.8 5,-0.2 -0.147 39.6 -71.0 97.5 158.7 12.5 30.2 7.1 433 114 C E H > S+ 0 0 61 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.924 133.0 44.8 -58.5 -53.1 9.2 29.5 5.5 434 115 C T H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.895 108.2 66.6 -62.7 -26.8 8.7 25.9 6.6 435 116 C G H >4 S+ 0 0 25 -4,-0.3 3,-0.9 1,-0.2 4,-0.3 0.959 106.0 35.8 -50.9 -60.8 9.9 27.3 9.9 436 117 C V H >< S+ 0 0 3 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.786 111.7 65.1 -65.3 -27.7 6.9 29.5 10.4 437 118 C A H 3< S+ 0 0 12 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.805 86.8 69.7 -67.6 -28.1 4.7 26.8 8.8 438 119 C G T << S+ 0 0 53 -4,-1.8 2,-2.3 -3,-0.9 3,-0.3 0.688 77.1 81.8 -61.4 -23.2 5.4 24.3 11.6 439 120 C F <> + 0 0 39 -3,-1.1 4,-1.7 -4,-0.3 -1,-0.2 -0.511 58.0 164.5 -83.8 72.3 3.3 26.3 14.1 440 121 C T H > S+ 0 0 86 -2,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.881 70.9 34.5 -57.6 -42.0 0.2 24.8 12.8 441 122 C N H > S+ 0 0 98 -3,-0.3 4,-2.4 2,-0.2 3,-0.4 0.952 110.0 56.8 -80.6 -56.3 -1.9 25.9 15.7 442 123 C S H > S+ 0 0 3 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.865 109.6 52.9 -41.3 -45.2 -0.5 29.2 16.8 443 124 C L H X S+ 0 0 9 -4,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.892 102.9 54.7 -59.1 -48.6 -1.3 30.2 13.2 444 125 C R H X S+ 0 0 132 -4,-1.0 4,-2.1 -3,-0.4 3,-0.3 0.944 108.5 51.6 -51.1 -48.9 -4.9 29.1 13.3 445 126 C M H <>S+ 0 0 22 -4,-2.4 5,-3.4 1,-0.2 -2,-0.2 0.938 105.3 52.6 -55.1 -53.3 -5.3 31.3 16.4 446 127 C L H ><5S+ 0 0 5 -4,-1.8 3,-0.8 3,-0.3 -1,-0.2 0.805 109.7 52.9 -50.4 -37.7 -3.8 34.5 14.7 447 128 C Q H 3<5S+ 0 0 64 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.960 109.3 43.4 -67.2 -58.1 -6.3 34.0 11.9 448 129 C Q T 3<5S- 0 0 95 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.198 122.1-111.6 -77.6 24.4 -9.4 33.8 14.0 449 130 C K T < 5 + 0 0 109 -3,-0.8 2,-1.2 1,-0.2 -3,-0.3 0.772 65.4 152.6 50.9 38.6 -7.8 36.7 15.8 450 131 C R >< + 0 0 88 -5,-3.4 4,-3.4 1,-0.2 5,-0.2 -0.463 15.4 164.3 -90.5 60.0 -7.0 34.8 19.1 451 132 C W H > + 0 0 48 -2,-1.2 4,-2.7 2,-0.2 3,-0.3 0.908 68.3 36.8 -45.5 -74.7 -4.1 37.0 19.9 452 133 C D H > S+ 0 0 107 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.875 119.7 55.1 -51.0 -34.3 -3.3 36.4 23.6 453 134 C E H >> S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 3,-0.8 0.944 108.8 44.8 -61.6 -49.8 -4.2 32.9 22.8 454 135 C A H 3X S+ 0 0 1 -4,-3.4 4,-1.5 -3,-0.3 -2,-0.2 0.868 108.0 59.0 -59.7 -43.3 -1.7 32.7 20.0 455 136 C A H 3X S+ 0 0 14 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.638 107.7 47.3 -61.7 -20.9 1.0 34.4 22.1 456 137 C V H XX S+ 0 0 95 -4,-0.9 3,-1.0 -3,-0.8 4,-0.9 0.905 111.1 46.1 -87.1 -57.6 0.7 31.6 24.6 457 138 C N H 3< S+ 0 0 56 -4,-2.1 -2,-0.2 1,-0.3 -15,-0.2 0.781 114.9 53.2 -59.9 -18.9 0.9 28.7 22.3 458 139 C L H >< S+ 0 0 3 -4,-1.5 3,-1.1 -5,-0.2 6,-0.5 0.717 98.5 57.9 -85.6 -29.1 3.8 30.5 20.6 459 140 C A H << S+ 0 0 41 -3,-1.0 6,-0.3 -4,-0.6 -1,-0.2 0.629 95.3 71.2 -75.8 -13.2 6.0 31.1 23.7 460 141 C K T 3< S+ 0 0 174 -4,-0.9 -1,-0.2 4,-0.1 -2,-0.2 0.462 84.3 101.0 -82.1 -1.1 5.8 27.3 24.0 461 142 C S S <> S- 0 0 21 -3,-1.1 4,-1.3 1,-0.1 5,-0.1 -0.221 85.0-117.2 -82.5 173.6 8.1 26.9 21.0 462 143 C R H > S+ 0 0 149 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.857 110.9 71.8 -72.2 -34.8 11.8 26.1 20.5 463 144 C W H > S+ 0 0 14 2,-0.2 4,-2.6 3,-0.2 3,-0.3 0.915 102.9 34.5 -46.2 -60.4 11.8 29.6 18.9 464 145 C Y H >4 S+ 0 0 66 -6,-0.5 3,-0.8 1,-0.2 5,-0.2 0.996 115.0 59.7 -55.2 -69.5 11.4 31.6 22.1 465 146 C N H 3< S+ 0 0 95 -4,-1.3 -2,-0.2 -6,-0.3 -1,-0.2 0.672 115.2 33.9 -24.2 -43.6 13.4 29.0 24.0 466 147 C Q H 3< S+ 0 0 88 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.826 140.1 15.1 -89.2 -37.0 16.4 29.7 21.6 467 148 C T S + 0 0 22 0, 0.0 4,-1.0 0, 0.0 -3,-0.1 0.636 67.9 54.8 -76.1 -27.2 13.4 34.8 23.7 469 150 C N H > S+ 0 0 68 2,-0.2 4,-2.5 -5,-0.2 3,-0.5 0.982 113.6 39.5 -76.4 -56.9 13.9 38.4 23.6 470 151 C R H > S+ 0 0 18 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.895 117.9 51.7 -52.8 -44.3 13.3 38.9 19.9 471 152 C A H X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 -1,-0.3 0.804 107.6 52.5 -65.4 -30.0 10.4 36.3 20.1 472 153 C K H X S+ 0 0 118 -4,-1.0 4,-1.8 -3,-0.5 5,-0.3 0.929 109.2 49.4 -72.0 -41.8 9.0 38.2 22.9 473 154 C R H X S+ 0 0 48 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.895 114.5 44.7 -63.4 -41.9 9.1 41.3 20.8 474 155 C V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.988 112.4 49.4 -64.6 -59.1 7.4 39.6 17.9 475 156 C I H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.805 113.0 48.1 -48.4 -39.4 4.7 37.8 19.9 476 157 C T H X>S+ 0 0 26 -4,-1.8 4,-2.4 2,-0.2 5,-0.6 0.945 108.0 54.6 -67.1 -54.4 3.8 41.0 21.7 477 158 C T H X>S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 5,-0.6 0.898 109.5 47.4 -48.6 -44.2 3.7 42.7 18.4 478 159 C F H <5S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.8 50.5 -61.6 -42.7 1.2 40.0 17.3 479 160 C R H <5S+ 0 0 98 -4,-2.4 -2,-0.2 -5,-0.2 -27,-0.2 0.911 121.6 26.8 -59.3 -51.8 -0.8 40.5 20.5 480 161 C T H <5S- 0 0 51 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.674 91.3-136.6 -89.0 -26.6 -1.2 44.2 20.5 481 162 C G T <> S+ 0 0 55 -2,-0.3 3,-3.9 1,-0.2 4,-1.0 0.387 75.5 117.8 -89.4 5.7 4.9 48.6 17.7 484 165 C D T 34 S+ 0 0 126 1,-0.3 3,-0.3 2,-0.2 4,-0.2 0.785 70.2 66.2 -41.8 -31.5 5.0 49.3 21.5 485 166 C A T 34 S+ 0 0 21 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.468 109.2 35.0 -72.8 -2.5 7.3 46.3 21.7 486 167 C Y T X4 S+ 0 0 1 -3,-3.9 3,-1.4 3,-0.1 -1,-0.2 0.474 80.6 126.8-127.5 -9.2 10.1 48.1 19.8 487 168 C K T 3< S+ 0 0 148 -4,-1.0 2,-0.4 -3,-0.3 -2,-0.1 0.664 80.9 15.5 -10.7 -89.0 9.6 51.7 20.9 488 169 C N T 3 0 0 118 -4,-0.2 -1,-0.2 1,-0.1 -4,-0.0 -0.322 360.0 360.0-106.6 59.5 13.0 52.9 22.2 489 170 C L < 0 0 134 -3,-1.4 -2,-0.1 -2,-0.4 -1,-0.1 0.466 360.0 360.0-133.4 360.0 15.5 50.3 20.8 490 !* 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 0.0 491 1 D M 0 0 71 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-165.8 12.8 26.2 59.0 492 2 D N > - 0 0 59 1,-0.1 4,-1.4 162,-0.1 5,-0.1 -0.949 360.0 -87.4-157.2 178.8 11.5 27.8 62.1 493 3 D I H >> S+ 0 0 33 -2,-0.3 4,-2.8 2,-0.2 3,-0.6 0.928 114.9 56.7 -60.4 -53.4 8.8 28.2 64.7 494 4 D F H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.926 111.7 44.8 -46.4 -49.8 6.7 30.9 63.0 495 5 D E H 3> S+ 0 0 65 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.786 114.4 51.1 -65.0 -30.5 6.4 28.6 60.0 496 6 D M H XX S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.6 3,-0.5 0.984 114.7 39.5 -69.5 -60.4 5.6 25.7 62.4 497 7 D L H 3X>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.3 4,-1.8 0.655 107.4 66.1 -64.1 -19.3 2.9 27.5 64.4 498 8 D R H 3<5S+ 0 0 80 -4,-1.7 5,-0.3 -5,-0.4 -1,-0.3 0.936 110.1 36.8 -67.1 -48.3 1.6 29.1 61.2 499 9 D I H <<5S+ 0 0 78 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.1 0.990 125.1 40.8 -65.8 -59.4 0.7 25.6 60.1 500 10 D D H <5S+ 0 0 20 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.965 132.8 14.9 -52.3 -70.0 -0.4 24.4 63.6 501 11 D E T <5S- 0 0 69 -4,-1.8 -3,-0.2 1,-0.1 -1,-0.1 0.871 107.1-120.6 -78.8 -42.3 -2.3 27.4 65.1 502 12 D G < - 0 0 28 -5,-1.9 2,-0.4 -4,-0.1 18,-0.2 0.019 11.6-101.5 109.6 144.1 -2.9 29.4 61.9 503 13 D L - 0 0 36 -5,-0.3 2,-0.4 16,-0.1 16,-0.2 -0.827 31.6-176.8-100.8 138.7 -2.0 32.9 60.7 504 14 D R E -I 518 0H 96 14,-1.2 14,-2.8 -2,-0.4 4,-0.1 -0.961 9.8-168.9-138.7 117.3 -4.6 35.6 60.7 505 15 D L E + 0 0 56 -2,-0.4 49,-1.9 12,-0.2 2,-0.4 0.427 63.0 67.8 -88.9 2.5 -3.9 39.1 59.3 506 16 D K E S-K 553 0I 106 47,-0.2 47,-0.2 12,-0.1 10,-0.1 -0.968 90.9-100.1-126.8 132.1 -6.8 41.3 60.4 507 17 D I E + 0 0 23 45,-2.9 2,-0.2 -2,-0.4 10,-0.2 -0.243 60.2 157.7 -49.0 119.9 -7.7 42.4 64.0 508 18 D Y E -I 516 0H 56 8,-2.2 8,-2.5 -4,-0.1 2,-0.4 -0.799 39.1-109.6-136.9 177.7 -10.5 40.0 65.1 509 19 D K E -I 515 0H 93 6,-0.3 6,-0.2 -2,-0.2 2,-0.0 -0.943 27.9-147.0-117.6 136.5 -12.1 38.6 68.2 510 20 D D > - 0 0 47 4,-2.0 3,-0.6 -2,-0.4 -1,-0.0 -0.125 38.8 -84.0 -88.4-170.6 -11.8 35.1 69.5 511 21 D T T 3 S+ 0 0 137 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.916 128.1 52.6 -61.6 -40.7 -14.1 32.7 71.4 512 22 D E T 3 S- 0 0 166 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.710 121.7-104.5 -73.0 -16.4 -13.0 34.3 74.7 513 23 D G S < S+ 0 0 29 -3,-0.6 2,-0.5 1,-0.3 -2,-0.1 0.821 72.5 142.6 96.9 39.4 -13.8 37.8 73.5 514 24 D Y - 0 0 49 17,-0.1 -4,-2.0 8,-0.0 2,-0.9 -0.955 55.0-126.1-121.3 132.7 -10.3 38.9 72.9 515 25 D Y E +IJ 509 523H 36 8,-0.6 8,-2.5 -2,-0.5 -6,-0.3 -0.667 46.7 167.2 -72.3 109.9 -9.1 41.1 70.1 516 26 D T E -IJ 508 522H 2 -8,-2.5 -8,-2.2 -2,-0.9 2,-0.3 -0.755 16.6-175.2-121.7 168.9 -6.3 39.0 68.7 517 27 D I E > + J 0 521H 0 4,-1.0 4,-1.7 -2,-0.2 2,-0.6 -0.972 55.3 1.7-156.8 160.2 -4.2 39.2 65.5 518 28 D G E 4 S-I 504 0H 2 -14,-2.8 -14,-1.2 -2,-0.3 2,-0.6 -0.387 129.6 -3.6 63.1-107.4 -1.6 37.1 63.7 519 29 D I T 4 S- 0 0 2 -2,-0.6 -1,-0.2 40,-0.2 3,-0.1 -0.777 123.2 -58.7-126.1 88.7 -1.0 34.1 65.8 520 30 D G T 4 S+ 0 0 31 -2,-0.6 2,-1.8 1,-0.2 -2,-0.2 0.695 80.0 161.5 48.6 24.1 -3.1 34.3 68.9 521 31 D H E < -J 517 0H 33 -4,-1.7 -4,-1.0 2,-0.0 -1,-0.2 -0.584 36.1-140.9 -73.9 94.6 -1.3 37.5 69.8 522 32 D L E -J 516 0H 72 -2,-1.8 2,-0.4 -6,-0.2 -6,-0.2 -0.225 11.4-147.0 -55.6 146.8 -3.9 38.8 72.2 523 33 D L E S+J 515 0H 3 -8,-2.5 -8,-0.6 1,-0.1 9,-0.4 -0.989 73.1 45.6-121.6 125.4 -4.5 42.6 71.9 524 34 D G + 0 0 14 -2,-0.4 7,-0.9 1,-0.2 2,-0.7 0.287 63.4 135.8 126.5 -8.4 -5.4 44.6 75.0 525 35 D I E +L 530 0J 100 5,-0.3 2,-0.4 -3,-0.1 5,-0.3 -0.506 28.5 138.2 -65.6 93.6 -2.9 43.4 77.7 526 36 D G E > -L 529 0J 31 3,-4.4 3,-0.7 -2,-0.7 5,-0.1 -0.907 65.0 -3.6-148.3 131.4 -1.6 46.6 79.5 527 37 D H T 3 S- 0 0 185 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.803 129.4 -53.9 64.2 30.9 -0.9 47.4 83.1 528 38 D L T 3 S+ 0 0 176 1,-0.3 2,-0.5 0, 0.0 -1,-0.2 0.748 116.4 117.7 69.9 22.0 -2.2 44.0 84.3 529 39 D L E < -L 526 0J 119 -3,-0.7 -3,-4.4 -5,-0.1 -1,-0.3 -0.991 44.7-170.6-124.5 124.5 -5.5 44.6 82.4 530 40 D T E +L 525 0J 63 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.585 51.4 87.6-119.8 54.5 -6.3 42.2 79.6 531 41 D K - 0 0 155 -7,-0.9 -7,-0.2 -2,-0.2 -17,-0.1 -0.906 53.1-157.1-139.4 140.8 -9.3 43.6 77.7 532 42 D S - 0 0 11 -9,-0.4 6,-0.1 -2,-0.3 -17,-0.1 -0.937 12.9-162.9-113.6 101.4 -9.2 46.1 74.8 533 43 D P + 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.897 67.0 40.1 -56.3 -43.8 -12.8 47.7 74.9 534 44 D S S > S- 0 0 48 1,-0.1 4,-2.6 -19,-0.0 5,-0.2 -0.747 70.6-132.7-114.3 151.2 -12.8 49.1 71.4 535 45 D L H > S+ 0 0 51 -2,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.847 116.5 52.3 -63.9 -27.4 -11.6 48.0 68.0 536 46 D N H > S+ 0 0 115 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.929 108.2 52.4 -66.8 -46.7 -10.0 51.5 67.7 537 47 D A H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.905 112.6 41.2 -60.6 -50.2 -8.3 50.8 71.0 538 48 D A H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.845 114.0 58.0 -62.0 -32.0 -6.8 47.5 70.0 539 49 D K H X S+ 0 0 29 -4,-1.7 4,-3.9 -5,-0.2 -2,-0.2 0.930 103.3 51.0 -64.1 -42.8 -6.1 49.2 66.7 540 50 D S H X S+ 0 0 50 -4,-2.7 4,-2.6 2,-0.3 5,-0.3 0.969 107.9 49.5 -58.9 -57.1 -4.0 51.9 68.4 541 51 D E H X S+ 0 0 65 -4,-1.7 4,-4.3 1,-0.2 3,-0.4 0.940 115.1 48.0 -46.8 -47.4 -1.8 49.6 70.4 542 52 D L H X>S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.3 5,-0.5 0.969 107.3 54.0 -56.9 -55.5 -1.3 47.9 67.1 543 53 D D H X>S+ 0 0 35 -4,-3.9 5,-1.6 1,-0.2 4,-0.8 0.783 119.1 35.4 -51.7 -31.3 -0.6 51.2 65.3 544 54 D K H <5S+ 0 0 157 -4,-2.6 -1,-0.2 -3,-0.4 -2,-0.2 0.876 113.2 57.6 -92.3 -36.0 2.1 51.9 67.8 545 55 D A H <5S+ 0 0 55 -4,-4.3 -3,-0.2 -5,-0.3 -2,-0.2 0.980 120.9 28.5 -51.7 -71.4 3.3 48.3 68.3 546 56 D I H <5S- 0 0 46 -4,-2.1 -3,-0.2 -5,-0.1 -1,-0.2 0.966 112.0-117.8 -56.4 -55.9 4.1 48.0 64.6 547 57 D G T < - 0 0 17 -2,-1.1 3,-3.1 -11,-0.2 -1,-0.2 0.419 36.6-140.8 -87.7 -5.8 -2.6 49.6 60.0 551 61 D N T 3 S- 0 0 108 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.754 78.8 -51.9 44.4 22.3 -6.3 50.3 60.1 552 62 D G T 3 S+ 0 0 4 1,-0.3 -45,-2.9 -13,-0.2 2,-0.4 0.579 120.4 101.6 94.7 14.8 -6.2 46.9 61.8 553 63 D V B < +K 506 0I 72 -3,-3.1 -1,-0.3 -47,-0.2 2,-0.2 -0.975 42.2 175.5-131.3 140.3 -4.3 44.9 59.2 554 64 D I - 0 0 10 -49,-1.9 2,-0.3 -2,-0.4 -36,-0.0 -0.677 28.6 -95.6-129.3-170.2 -0.7 43.9 59.2 555 65 D T >> - 0 0 72 -2,-0.2 4,-2.7 1,-0.1 3,-0.5 -0.778 32.1-110.6-112.5 155.2 1.7 41.8 57.1 556 66 D K H 3> S+ 0 0 91 -2,-0.3 4,-2.0 1,-0.3 5,-0.1 0.897 122.1 53.8 -42.7 -47.8 2.8 38.2 57.5 557 67 D D H 3> S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.893 107.7 46.8 -57.0 -48.0 6.1 39.7 58.4 558 68 D E H <4 S+ 0 0 54 -3,-0.5 5,-0.2 2,-0.2 -2,-0.2 0.927 109.5 53.4 -63.6 -45.4 4.8 41.9 61.2 559 69 D A H >X S+ 0 0 3 -4,-2.7 4,-1.6 1,-0.2 3,-0.7 0.901 111.4 49.7 -53.6 -39.2 2.7 39.1 62.6 560 70 D E H 3X S+ 0 0 33 -4,-2.0 4,-2.7 -5,-0.3 2,-0.6 0.950 101.4 58.4 -64.3 -53.5 6.1 37.2 62.7 561 71 D K H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.174 114.6 41.9 -68.1 24.9 8.1 39.9 64.4 562 72 D L H <> S+ 0 0 16 -3,-0.7 4,-4.2 -2,-0.6 -1,-0.3 0.418 107.7 57.2-135.5 -38.8 5.5 39.5 67.2 563 73 D F H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 -2,-0.2 0.990 109.3 46.8 -60.9 -55.9 5.3 35.8 67.1 564 74 D N H X S+ 0 0 62 -4,-2.7 4,-3.1 1,-0.3 -1,-0.2 0.845 114.6 48.8 -51.6 -35.9 9.0 35.7 67.8 565 75 D Q H > S+ 0 0 117 -5,-0.4 4,-3.0 2,-0.2 -1,-0.3 0.947 110.6 48.2 -68.5 -48.8 8.4 38.2 70.5 566 76 D D H X S+ 0 0 38 -4,-4.2 4,-1.9 1,-0.2 -2,-0.2 0.858 113.8 51.6 -57.0 -36.0 5.5 36.2 71.9 567 77 D V H X S+ 0 0 9 -4,-3.4 4,-2.6 2,-0.2 3,-0.4 0.973 107.7 46.8 -65.4 -58.2 8.0 33.3 71.7 568 78 D D H X S+ 0 0 104 -4,-3.1 4,-2.3 1,-0.3 -2,-0.2 0.948 112.6 56.3 -50.6 -43.3 10.8 35.0 73.6 569 79 D A H < S+ 0 0 59 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.880 107.8 44.1 -54.4 -47.8 8.1 36.0 76.0 570 80 D A H >X S+ 0 0 23 -4,-1.9 3,-2.9 -3,-0.4 4,-1.7 0.913 109.6 55.2 -68.6 -40.5 6.9 32.4 76.7 571 81 D V H 3X S+ 0 0 26 -4,-2.6 4,-2.1 1,-0.3 3,-0.3 0.928 99.8 64.0 -57.1 -38.1 10.5 31.1 77.0 572 82 D R H 3< S+ 0 0 173 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.597 106.6 41.5 -62.7 -8.0 10.8 33.7 79.6 573 83 D G H <4 S+ 0 0 14 -3,-2.9 4,-0.5 2,-0.1 -1,-0.2 0.670 105.4 61.4-110.0 -26.0 8.2 31.9 81.7 574 84 D I H >< S+ 0 0 0 -4,-1.7 3,-1.0 -3,-0.3 7,-0.6 0.869 102.9 53.4 -65.7 -39.0 9.3 28.4 81.1 575 85 D L T 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.825 103.7 55.2 -69.5 -26.2 12.6 29.3 82.7 576 86 D R T 3 S+ 0 0 194 -5,-0.2 2,-0.8 -4,-0.1 -1,-0.3 0.616 94.4 86.2 -77.3 -15.2 10.7 30.7 85.8 577 87 D N <> - 0 0 36 -3,-1.0 4,-2.6 -4,-0.5 -1,-0.1 -0.812 65.3-161.2 -97.1 107.0 9.1 27.2 86.0 578 88 D A T 4 S+ 0 0 91 -2,-0.8 -1,-0.1 1,-0.2 -3,-0.1 0.509 89.3 53.6 -64.1 -8.0 11.3 24.7 87.9 579 89 D K T > S+ 0 0 88 -5,-0.1 4,-0.8 2,-0.1 -1,-0.2 0.910 116.5 31.0 -91.4 -60.7 9.4 21.8 86.4 580 90 D L H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.1 5,-0.2 0.819 107.3 73.9 -63.5 -38.4 9.8 22.6 82.6 581 91 D K H X S+ 0 0 89 -4,-2.6 4,-3.0 -7,-0.6 5,-0.2 0.927 95.5 44.5 -45.3 -68.1 13.2 24.3 82.9 582 92 D P H > S+ 0 0 50 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.925 118.4 47.7 -47.4 -43.0 15.5 21.4 83.5 583 93 D V H X S+ 0 0 7 -4,-0.8 4,-1.2 1,-0.2 -2,-0.3 0.920 112.2 49.4 -63.2 -43.5 13.6 19.7 80.7 584 94 D Y H < S+ 0 0 20 -4,-3.6 -1,-0.2 2,-0.2 -3,-0.2 0.825 105.3 57.6 -65.4 -34.2 13.8 22.8 78.5 585 95 D D H < S+ 0 0 90 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.987 103.9 52.6 -59.1 -56.2 17.6 23.1 79.0 586 96 D S H < S+ 0 0 36 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.789 91.5 94.7 -50.4 -39.1 18.3 19.7 77.7 587 97 D L S < S- 0 0 3 -4,-1.2 2,-0.1 4,-0.1 31,-0.0 -0.261 70.3-131.7 -69.1 146.9 16.4 20.1 74.5 588 98 D D > - 0 0 55 1,-0.0 4,-0.9 4,-0.0 -1,-0.1 -0.284 41.9 -87.5 -79.0 171.6 18.0 21.1 71.2 589 99 D A H >> S+ 0 0 78 1,-0.2 3,-1.7 2,-0.2 4,-1.6 0.933 124.5 46.9 -50.4 -61.7 16.4 23.9 69.2 590 100 D V H >> S+ 0 0 21 1,-0.3 4,-1.4 2,-0.2 3,-0.7 0.925 112.5 49.1 -48.9 -53.9 14.0 21.8 67.2 591 101 D R H 3> S+ 0 0 29 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.610 106.4 59.6 -67.8 -7.5 12.7 19.9 70.2 592 102 D R H S+ 0 0 7 -4,-1.2 4,-2.6 1,-0.2 5,-0.9 0.798 107.8 58.7 -69.0 -27.6 2.5 22.8 73.4 599 109 D V H X5S+ 0 0 16 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.885 106.2 45.6 -71.0 -38.0 2.8 25.9 75.5 600 110 D F H <5S+ 0 0 48 -4,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.873 116.7 46.7 -70.6 -38.6 0.8 28.1 73.1 601 111 D Q H <5S+ 0 0 59 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.962 135.9 1.7 -72.5 -50.2 -1.8 25.4 72.6 602 112 D M H <5S- 0 0 61 -4,-2.6 4,-0.4 1,-0.2 3,-0.2 0.637 99.3-122.0-114.6 -17.0 -2.5 24.4 76.2 603 113 D G X< - 0 0 22 -5,-0.9 4,-2.2 -4,-0.6 5,-0.2 -0.196 37.0 -60.9 101.6 167.4 -0.4 26.6 78.4 604 114 D E H > S+ 0 0 65 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.726 127.9 46.2 -65.7 -29.6 2.2 26.1 81.1 605 115 D T H > S+ 0 0 127 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.900 114.2 50.3 -78.1 -44.4 0.2 24.0 83.7 606 116 D G H >> S+ 0 0 31 -4,-0.4 3,-2.3 2,-0.2 4,-0.5 0.988 114.4 41.8 -52.2 -66.8 -1.2 21.8 81.0 607 117 D V H >< S+ 0 0 4 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.871 111.4 56.8 -47.0 -45.4 2.2 21.0 79.5 608 118 D A H 3< S+ 0 0 15 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.706 93.7 71.5 -64.3 -17.1 3.7 20.7 83.0 609 119 D G H << S+ 0 0 54 -3,-2.3 2,-2.1 -4,-0.9 -1,-0.3 0.773 75.0 83.3 -70.3 -25.5 1.1 18.0 83.6 610 120 D F + 0 0 62 -2,-2.1 4,-3.2 1,-0.2 5,-0.2 0.920 64.9 45.6 -50.2 -62.3 5.3 14.3 83.9 612 122 D N H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 114.6 49.6 -57.3 -33.3 6.6 11.0 82.5 613 123 D S H > S+ 0 0 3 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.844 111.0 49.0 -75.5 -34.1 7.1 12.4 79.0 614 124 D L H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.951 112.7 49.8 -68.2 -41.6 8.9 15.4 80.4 615 125 D R H X S+ 0 0 169 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.932 114.1 44.4 -58.5 -49.8 11.1 12.9 82.5 616 126 D M H X>S+ 0 0 12 -4,-2.5 5,-3.4 1,-0.2 4,-0.8 0.857 110.7 51.9 -63.7 -41.1 11.8 10.8 79.5 617 127 D L H <5S+ 0 0 4 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.834 106.2 59.9 -65.3 -32.3 12.6 13.6 77.1 618 128 D Q H <5S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.945 107.7 39.0 -62.6 -50.0 14.9 14.8 79.8 619 129 D Q H <5S- 0 0 99 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.602 122.9-109.7 -77.6 -4.0 17.1 11.6 79.8 620 130 D K T <5 + 0 0 99 -4,-0.8 2,-1.6 -3,-0.2 -3,-0.2 0.734 67.0 150.7 79.6 31.6 16.6 11.7 76.0 621 131 D R >< + 0 0 90 -5,-3.4 4,-2.0 1,-0.2 -1,-0.2 -0.669 17.2 169.2 -91.1 78.6 14.4 8.7 75.6 622 132 D W H >> + 0 0 38 -2,-1.6 4,-1.8 2,-0.2 3,-1.8 0.976 69.6 39.6 -51.9 -85.7 12.6 10.1 72.6 623 133 D D H 3> S+ 0 0 103 27,-0.3 4,-2.2 1,-0.3 5,-0.3 0.829 116.9 51.3 -32.7 -56.3 10.6 7.2 71.3 624 134 D E H 3> S+ 0 0 98 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.893 112.5 49.2 -54.1 -38.7 9.7 6.2 74.8 625 135 D A H X S+ 0 0 9 -4,-1.8 3,-2.2 -3,-0.3 4,-1.7 0.979 106.8 54.3 -63.6 -59.7 6.4 10.0 72.2 627 137 D V H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.804 111.5 49.3 -42.2 -36.3 4.6 6.7 72.9 628 138 D N H 3< S+ 0 0 53 -4,-1.0 3,-0.5 -5,-0.3 -1,-0.3 0.720 105.8 55.3 -79.3 -26.7 3.8 8.4 76.2 629 139 D L H << S+ 0 0 4 -3,-2.2 3,-0.5 -4,-0.8 6,-0.4 0.764 101.3 57.6 -81.3 -23.9 2.6 11.7 74.6 630 140 D A S < S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.488 89.9 72.0 -85.7 -0.8 0.0 10.0 72.4 631 141 D K S S+ 0 0 164 -3,-0.5 2,-0.3 -5,-0.3 -1,-0.2 -0.143 84.4 110.9 -99.6 38.1 -1.8 8.4 75.4 632 142 D S S > S- 0 0 19 -3,-0.5 4,-1.7 1,-0.1 3,-0.4 -0.873 81.6-125.0-118.2 154.7 -3.0 11.9 76.3 633 143 D R H > S+ 0 0 178 -2,-0.3 4,-1.0 1,-0.2 5,-0.1 0.648 114.6 62.0 -64.1 -11.3 -6.3 13.7 76.3 634 144 D W H > S+ 0 0 11 2,-0.2 4,-3.2 -5,-0.2 -1,-0.2 0.931 100.0 46.4 -80.6 -49.2 -4.4 16.1 74.1 635 145 D Y H 4 S+ 0 0 70 -6,-0.4 -2,-0.2 -3,-0.4 -1,-0.2 0.842 114.1 52.3 -61.6 -32.5 -3.6 13.8 71.2 636 146 D N H < S+ 0 0 108 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.842 113.3 42.8 -74.3 -34.4 -7.2 12.7 71.3 637 147 D Q H < S+ 0 0 109 -4,-1.0 -2,-0.2 1,-0.2 3,-0.2 0.976 132.9 18.8 -74.6 -57.2 -8.4 16.2 71.1 638 148 D T S X S+ 0 0 42 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 -0.593 74.6 161.9-117.5 72.9 -6.0 17.4 68.5 639 149 D P H > S+ 0 0 46 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.917 71.2 49.0 -53.7 -53.9 -4.8 14.2 66.9 640 150 D N H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 3,-0.2 0.946 115.6 39.8 -58.7 -54.5 -3.5 15.7 63.7 641 151 D R H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 114.2 54.7 -59.0 -48.0 -1.4 18.5 65.1 642 152 D A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.799 99.8 59.5 -58.1 -36.2 -0.1 16.5 68.0 643 153 D K H X S+ 0 0 101 -4,-2.0 4,-3.1 -5,-0.2 5,-0.3 0.987 109.5 46.0 -55.9 -53.1 1.2 13.7 65.7 644 154 D R H X S+ 0 0 56 -4,-1.4 4,-2.5 1,-0.3 -2,-0.2 0.943 112.5 47.5 -54.5 -56.0 3.4 16.4 64.2 645 155 D V H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.849 116.1 47.0 -57.9 -31.4 4.5 17.9 67.4 646 156 D I H X S+ 0 0 10 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.833 108.5 52.1 -80.3 -31.6 5.2 14.4 68.6 647 157 D T H X S+ 0 0 36 -4,-3.1 4,-1.2 -5,-0.2 6,-0.3 0.877 110.2 51.7 -68.7 -33.9 7.1 13.3 65.5 648 158 D T H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.3 3,-0.4 0.923 110.0 47.3 -66.8 -43.0 9.2 16.4 66.0 649 159 D F H < S+ 0 0 3 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.7 50.6 -64.5 -35.0 10.0 15.5 69.6 650 160 D R H < S+ 0 0 87 -4,-1.9 -27,-0.3 1,-0.1 -1,-0.2 0.696 126.8 19.2 -79.2 -17.6 10.7 12.0 68.4 651 161 D T H < S- 0 0 48 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.2 0.578 85.7-130.4-126.7 -18.4 13.1 13.0 65.6 652 162 D G S < S+ 0 0 16 -4,-3.1 2,-0.3 -5,-0.3 -62,-0.2 0.803 72.6 115.8 67.0 28.2 14.4 16.5 66.2 653 163 D T S > S- 0 0 36 -6,-0.3 3,-0.5 -5,-0.3 -1,-0.2 -0.949 75.0-130.3-129.9 151.2 13.5 17.2 62.6 654 164 D W G >> S+ 0 0 56 -2,-0.3 4,-1.0 1,-0.2 3,-1.0 0.200 73.7 118.4 -81.6 20.6 11.0 19.5 60.8 655 165 D D G >4 + 0 0 113 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.880 65.6 55.9 -57.1 -42.4 9.9 16.5 58.7 656 166 D A G <4 S+ 0 0 29 -3,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.788 110.6 47.8 -63.5 -23.6 6.2 16.4 59.9 657 167 D Y G <4 S+ 0 0 8 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.676 85.3 102.2 -88.4 -18.1 5.9 20.0 58.7 658 168 D K << 0 0 181 -4,-1.0 -1,-0.1 -3,-0.7 -2,-0.1 0.772 360.0 360.0 -30.9 -72.7 7.6 19.3 55.3 659 169 D N 0 0 189 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 -0.046 360.0 360.0 -90.5 360.0 4.6 19.2 52.9