==== 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 HYDROLASE 02-MAY-07 2YYV . COMPND 2 MOLECULE: PROBABLE 2-PHOSPHOSULFOLACTATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR N.NAKAGAWA,Y.NAKAMURA,Y.BESSHO,S.YOKOYAMA,S.KURAMITSU,RIKEN . 447 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.4 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 . 6 1.3 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 . 36 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 2 1 3 6 0 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 5 5 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 . 8 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A V 0 0 27 0, 0.0 160,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -36.4 38.9 40.4 26.9 2 3 A D E -a 130 0A 15 127,-1.7 129,-2.8 158,-0.2 2,-0.4 -0.931 360.0-135.5-142.8 168.1 40.0 37.0 25.5 3 4 A V E -a 131 0A 0 -2,-0.3 361,-0.4 127,-0.2 2,-0.4 -0.982 13.8-171.8-128.7 137.3 38.5 33.6 24.6 4 5 A V E -a 132 0A 5 127,-2.5 129,-3.0 -2,-0.4 2,-0.6 -0.993 12.9-148.4-129.7 137.7 39.8 30.2 25.4 5 6 A M E S-a 133 0A 17 -2,-0.4 129,-0.2 1,-0.2 224,-0.1 -0.933 76.7 -25.1-109.4 115.1 38.3 26.9 24.0 6 7 A A S S- 0 0 18 127,-3.5 -1,-0.2 -2,-0.6 128,-0.1 0.952 82.3-145.7 47.6 69.2 38.7 23.9 26.3 7 8 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 95,-0.1 -0.302 11.4-156.5 -63.6 147.2 41.7 25.1 28.3 8 9 A a S S+ 0 0 51 354,-0.3 -2,-0.0 222,-0.1 354,-0.0 0.831 74.2 35.0 -93.7 -40.3 44.2 22.5 29.5 9 10 A S S S- 0 0 65 353,-0.2 2,-0.1 1,-0.1 93,-0.1 -0.699 106.0 -72.2-111.0 165.7 45.8 24.2 32.4 10 11 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 93,-0.2 -0.359 47.0-151.7 -60.3 129.5 44.3 26.6 35.0 11 12 A V E -j 103 0B 8 91,-3.3 93,-2.7 -2,-0.1 2,-0.4 -0.907 6.7-144.6-106.3 128.5 43.6 30.0 33.4 12 13 A E E +j 104 0B 141 -2,-0.5 2,-0.3 91,-0.2 93,-0.2 -0.772 32.0 145.6 -97.1 136.8 43.7 33.1 35.7 13 14 A C - 0 0 11 91,-1.6 93,-0.4 -2,-0.4 94,-0.3 -0.974 51.1-126.7-164.7 152.1 41.4 36.0 35.3 14 15 A R S S+ 0 0 101 114,-0.6 93,-0.5 -2,-0.3 2,-0.4 0.893 102.0 22.1 -68.8 -42.2 39.5 38.6 37.2 15 16 A T E S-b 129 0A 0 113,-2.2 115,-2.4 112,-0.2 2,-0.4 -0.993 73.5-170.1-132.9 126.9 36.1 37.8 35.6 16 17 A A E -bc 130 108A 0 91,-3.5 93,-2.6 -2,-0.4 2,-0.5 -0.926 9.8-161.8-121.4 143.8 35.2 34.5 33.9 17 18 A V E -bc 131 109A 0 113,-2.3 115,-3.1 -2,-0.4 2,-0.4 -0.979 13.5-148.4-124.1 117.4 32.3 33.5 31.8 18 19 A V E -bc 132 110A 9 91,-3.0 93,-2.3 -2,-0.5 2,-0.5 -0.735 15.2-167.7 -87.6 130.6 31.6 29.7 31.4 19 20 A I E +bc 133 111A 0 113,-2.8 115,-2.9 -2,-0.4 116,-0.3 -0.967 31.4 144.3-127.0 119.3 30.1 28.8 28.0 20 21 A D > + 0 0 28 91,-0.6 5,-1.9 -2,-0.5 6,-0.9 -0.569 22.1 173.3-146.5 66.5 28.5 25.4 27.2 21 22 A V T 5 + 0 0 0 1,-0.2 2,-3.1 4,-0.2 5,-0.3 0.885 59.9 76.8 -49.7 -54.2 25.7 26.6 24.9 22 23 A L T 5S- 0 0 2 1,-0.1 2,-1.1 4,-0.1 -1,-0.2 -0.405 129.0 -56.7 -71.8 83.2 24.5 23.3 23.8 23 24 A R T >5S+ 0 0 3 -2,-3.1 4,-4.7 176,-0.2 5,-0.4 -0.551 118.7 83.6 86.4 -63.7 22.7 22.6 27.0 24 25 A A H >5S+ 0 0 6 -2,-1.1 4,-2.1 1,-0.3 -3,-0.2 0.875 110.2 23.7 -41.5 -63.8 25.1 22.7 30.0 25 26 A T H > S+ 0 0 0 -6,-0.9 4,-2.5 -5,-0.3 -2,-0.2 0.907 109.3 47.1 -69.6 -38.1 21.7 26.8 28.8 27 28 A T H X S+ 0 0 0 -4,-4.7 4,-3.2 2,-0.2 -2,-0.2 0.926 111.4 50.3 -66.4 -44.5 20.3 24.3 31.4 28 29 A I H X S+ 0 0 10 -4,-2.1 4,-2.1 -5,-0.4 5,-0.2 0.922 114.2 44.3 -59.7 -46.1 21.9 26.2 34.3 29 30 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.915 115.8 47.4 -65.3 -43.6 20.4 29.5 33.1 30 31 A T H X S+ 0 0 2 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.934 111.3 50.9 -64.3 -46.1 17.0 28.0 32.4 31 32 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 3,-0.6 0.943 114.8 40.9 -58.0 -52.5 16.9 26.1 35.8 32 33 A L H ><5S+ 0 0 6 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.850 112.4 55.9 -66.6 -33.6 17.7 29.2 37.9 33 34 A S H 3<5S+ 0 0 27 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.720 108.0 51.2 -70.7 -19.8 15.5 31.4 35.8 34 35 A N T <<5S- 0 0 36 -4,-1.2 -1,-0.3 -3,-0.6 50,-0.2 0.084 132.3 -80.2-105.8 23.0 12.7 29.0 36.5 35 36 A G T < 5S+ 0 0 27 -3,-1.3 51,-2.2 1,-0.3 -3,-0.2 0.255 72.5 151.3 106.5 -15.7 13.0 28.8 40.3 36 37 A A < - 0 0 8 -5,-2.2 -1,-0.3 49,-0.2 52,-0.2 -0.216 43.9-139.3 -52.8 140.7 15.8 26.4 41.1 37 38 A S S S- 0 0 66 50,-2.0 2,-0.3 47,-0.3 185,-0.3 0.809 74.8 -36.2 -71.5 -30.8 17.5 27.3 44.4 38 39 A G E -d 88 0A 2 49,-0.7 51,-3.0 183,-0.1 2,-0.5 -0.942 51.6-120.7 178.9 163.5 20.9 26.5 42.9 39 40 A V E -dE 89 220A 0 181,-2.0 181,-2.9 -2,-0.3 51,-0.2 -0.973 23.0-158.4-126.0 115.6 22.7 24.3 40.5 40 41 A I E -d 90 0A 46 49,-3.4 51,-2.6 -2,-0.5 2,-0.2 -0.833 13.2-138.1 -98.5 111.2 25.6 22.2 41.8 41 42 A P E -d 91 0A 29 0, 0.0 2,-0.4 0, 0.0 51,-0.2 -0.497 25.5-172.1 -67.7 129.5 28.2 21.0 39.3 42 43 A V - 0 0 6 49,-2.5 51,-0.3 -2,-0.2 55,-0.3 -0.970 20.1-146.5-127.1 141.6 29.2 17.4 40.1 43 44 A K S S+ 0 0 97 -2,-0.4 2,-0.2 49,-0.1 -1,-0.1 0.980 73.5 29.0 -70.5 -62.6 31.9 15.3 38.4 44 45 A T > - 0 0 28 1,-0.1 4,-2.0 48,-0.0 5,-0.1 -0.613 68.7-124.6-105.4 163.3 30.7 11.7 38.4 45 46 A I H > S+ 0 0 31 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.857 112.9 60.7 -68.0 -35.3 27.4 9.9 38.2 46 47 A E H > S+ 0 0 122 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.929 107.7 42.4 -57.0 -48.7 28.4 8.1 41.4 47 48 A E H > S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.915 111.4 55.0 -65.3 -45.2 28.6 11.4 43.3 48 49 A A H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.901 107.2 50.4 -55.6 -44.6 25.5 12.8 41.8 49 50 A L H >< S+ 0 0 68 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.862 103.7 58.6 -63.8 -37.9 23.4 9.8 42.9 50 51 A E H 3< S+ 0 0 158 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 95.3 63.9 -62.5 -32.5 24.7 10.0 46.5 51 52 A K T 3< S+ 0 0 93 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.345 75.9 132.9 -75.3 9.3 23.4 13.5 46.9 52 53 A K < + 0 0 104 -3,-1.5 2,-0.3 3,-0.0 5,-0.1 -0.411 25.0 123.0 -65.9 132.6 19.9 12.2 46.5 53 54 A K > - 0 0 126 3,-0.4 3,-2.0 -2,-0.1 -2,-0.0 -0.936 66.9 -56.9-178.3 162.9 17.4 13.5 49.1 54 55 A E T 3 S+ 0 0 174 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.256 123.3 23.5 -54.3 131.3 14.1 15.4 49.4 55 56 A G T 3 S+ 0 0 19 1,-0.2 33,-2.5 32,-0.1 2,-0.4 0.482 106.7 98.3 90.1 2.9 14.3 18.8 47.7 56 57 A V E < -f 88 0A 6 -3,-2.0 2,-0.4 31,-0.2 -3,-0.4 -0.976 53.6-160.8-128.0 138.9 17.1 17.7 45.4 57 58 A L E -f 89 0A 23 31,-2.3 33,-2.8 -2,-0.4 2,-0.7 -0.967 14.8-139.8-119.5 133.1 17.0 16.5 41.8 58 59 A I E +f 90 0A 2 -2,-0.4 13,-2.7 11,-0.2 14,-1.3 -0.829 36.5 168.2 -93.8 117.4 19.8 14.5 40.2 59 60 A C E +fg 91 72A 0 31,-3.3 33,-2.4 -2,-0.7 2,-0.3 -0.869 11.5 79.1-132.3 162.1 20.3 15.8 36.6 60 61 A G E -f 92 0A 0 12,-1.3 2,-0.3 13,-0.4 33,-0.2 -0.934 49.0 -96.6 144.3-166.2 22.7 15.6 33.7 61 62 A E - 0 0 19 31,-1.7 33,-0.4 -2,-0.3 2,-0.3 -0.976 11.5-169.4-153.4 164.7 23.9 13.5 30.8 62 63 A R B > S+K 65 0C 60 3,-1.4 3,-1.9 -2,-0.3 -2,-0.0 -0.909 97.0 4.5-153.0 126.6 26.4 11.1 29.4 63 64 A N T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.784 130.1 -71.2 60.7 25.8 26.3 10.6 25.6 64 65 A A T 3 S+ 0 0 6 1,-0.2 10,-0.3 9,-0.0 2,-0.3 0.410 112.2 111.6 71.7 1.8 23.6 13.3 25.7 65 66 A Q B < S-K 62 0C 91 -3,-1.9 -3,-1.4 8,-0.1 -1,-0.2 -0.772 78.6 -99.4-108.1 151.2 21.1 11.0 27.4 66 67 A K - 0 0 109 -2,-0.3 -5,-0.2 -5,-0.2 7,-0.1 -0.506 44.0-121.8 -68.9 124.3 19.7 11.0 30.9 67 68 A P > - 0 0 18 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.259 35.6 -87.6 -65.1 152.1 21.6 8.5 33.1 68 69 A K T 3 S+ 0 0 200 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.376 116.1 23.8 -61.4 134.8 19.7 5.7 34.9 69 70 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.2 -3,-0.1 -11,-0.2 0.162 95.6 123.8 95.5 -18.8 18.4 6.8 38.2 70 71 A F < - 0 0 11 -3,-1.9 -1,-0.3 1,-0.1 -11,-0.2 -0.373 56.4-146.1 -76.7 154.5 18.4 10.5 37.3 71 72 A N S S+ 0 0 67 -13,-2.7 2,-0.3 1,-0.2 -12,-0.2 0.898 80.5 15.7 -84.8 -46.0 15.4 12.8 37.5 72 73 A L B -g 59 0A 24 -14,-1.3 -12,-1.3 1,-0.1 -1,-0.2 -0.912 65.4-141.1-130.9 157.4 16.2 15.0 34.5 73 74 A G - 0 0 2 -2,-0.3 -13,-0.4 -14,-0.2 -12,-0.2 0.165 46.7 -82.7 -90.8-147.4 18.5 14.9 31.5 74 75 A N S S+ 0 0 7 -10,-0.3 -47,-0.1 -15,-0.1 -13,-0.1 -0.058 86.2 117.6-115.1 31.7 20.4 17.9 30.0 75 76 A S > - 0 0 10 1,-0.1 3,-2.2 -15,-0.1 4,-0.4 -0.880 58.2-147.9 -97.8 120.0 17.6 19.3 27.9 76 77 A P G > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.836 95.6 70.1 -56.3 -30.5 16.7 22.8 29.1 77 78 A L G 3 S+ 0 0 77 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.697 91.4 61.6 -60.7 -16.7 13.1 22.2 28.1 78 79 A E G < S+ 0 0 57 -3,-2.2 2,-1.6 1,-0.2 -1,-0.3 0.684 82.7 82.9 -81.4 -20.7 12.9 19.7 31.0 79 80 A Y < + 0 0 1 -3,-1.8 -1,-0.2 -4,-0.4 2,-0.2 -0.411 62.1 163.0 -88.1 63.2 13.6 22.4 33.7 80 81 A R >> - 0 0 127 -2,-1.6 4,-2.3 -3,-0.1 3,-1.7 -0.505 47.5-123.1 -81.1 147.6 10.1 23.8 34.1 81 82 A K H 3> S+ 0 0 104 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.887 111.7 59.6 -55.5 -43.0 9.1 25.9 37.1 82 83 A E H 34 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.2 -47,-0.0 0.626 115.6 36.3 -63.8 -11.3 6.3 23.5 38.0 83 84 A K H <4 S+ 0 0 116 -3,-1.7 -2,-0.2 -5,-0.0 -1,-0.2 0.734 130.5 21.3-111.6 -32.5 9.0 20.8 38.3 84 85 A I H >< S+ 0 0 0 -4,-2.3 3,-2.5 -50,-0.2 -47,-0.3 0.486 77.4 133.2-118.5 -4.3 12.1 22.4 39.8 85 86 A S T 3< S+ 0 0 66 -4,-2.2 -49,-0.2 -5,-0.4 -50,-0.2 -0.270 85.7 4.3 -53.8 121.3 10.9 25.6 41.5 86 87 A G T 3 S+ 0 0 49 -51,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.316 106.7 114.8 87.6 -8.3 12.5 25.7 44.9 87 88 A K < - 0 0 69 -3,-2.5 -50,-2.0 -50,-0.0 -49,-0.7 -0.621 67.3-117.5 -98.1 155.3 14.7 22.6 44.5 88 89 A T E -df 38 56A 39 -33,-2.5 -31,-2.3 -2,-0.2 2,-0.6 -0.732 26.1-143.2 -88.3 135.8 18.4 22.2 44.3 89 90 A I E -df 39 57A 0 -51,-3.0 -49,-3.4 -2,-0.4 2,-0.7 -0.899 7.8-161.6-105.3 117.3 19.7 20.9 41.0 90 91 A V E -df 40 58A 2 -33,-2.8 -31,-3.3 -2,-0.6 2,-0.5 -0.881 21.2-169.7 -93.5 120.9 22.7 18.5 41.2 91 92 A L E +df 41 59A 9 -51,-2.6 -49,-2.5 -2,-0.7 2,-0.5 -0.951 17.4 175.6-123.8 122.4 24.1 18.6 37.6 92 93 A T E + f 0 60A 0 -33,-2.4 -31,-1.7 -2,-0.5 2,-0.3 -0.974 8.2 173.0-125.5 119.5 26.7 16.3 36.1 93 94 A T > - 0 0 9 -2,-0.5 3,-2.3 -51,-0.3 4,-0.4 -0.915 49.5 -86.4-123.4 152.6 27.6 16.6 32.4 94 95 A T T 3 S- 0 0 43 -33,-0.4 4,-0.1 -2,-0.3 3,-0.1 0.684 119.1 -1.3 -19.8 -64.2 30.4 14.9 30.4 95 96 A N T 3> S+ 0 0 70 40,-0.1 4,-1.7 1,-0.1 -1,-0.3 0.005 94.2 125.1-127.5 30.4 33.2 17.4 31.1 96 97 A G H <> S+ 0 0 17 -3,-2.3 4,-1.8 1,-0.2 3,-0.4 0.956 79.0 34.7 -53.8 -64.5 31.4 19.9 33.3 97 98 A T H > S+ 0 0 16 -4,-0.4 4,-2.6 -55,-0.3 -1,-0.2 0.816 110.7 64.6 -64.8 -31.3 33.5 20.1 36.4 98 99 A Q H > S+ 0 0 45 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.916 107.4 42.0 -58.0 -43.5 36.8 19.5 34.4 99 100 A V H >X S+ 0 0 15 -4,-1.7 3,-1.3 -3,-0.4 4,-0.5 0.931 112.7 51.8 -69.5 -47.3 36.3 22.8 32.6 100 101 A I H >< S+ 0 0 31 -4,-1.8 3,-1.5 1,-0.3 -2,-0.2 0.886 103.3 60.8 -57.6 -38.2 35.2 24.7 35.7 101 102 A E H 3< S+ 0 0 121 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.738 97.3 59.5 -61.8 -24.1 38.3 23.4 37.5 102 103 A K H << S+ 0 0 49 -3,-1.3 -91,-3.3 -4,-0.6 2,-1.0 0.662 83.9 94.8 -78.9 -16.4 40.5 25.2 35.0 103 104 A I E << -j 11 0B 11 -3,-1.5 2,-1.5 -4,-0.5 -91,-0.2 -0.658 53.0-172.9 -85.1 101.1 39.1 28.6 35.8 104 105 A R E +j 12 0B 139 -93,-2.7 -91,-1.6 -2,-1.0 2,-0.3 -0.637 43.0 121.1 -91.0 78.6 41.2 30.4 38.4 105 106 A S - 0 0 23 -2,-1.5 -91,-0.2 -93,-0.2 3,-0.1 -0.997 61.4-145.4-144.2 146.6 38.9 33.3 39.0 106 107 A E S S+ 0 0 201 -93,-0.4 2,-0.5 -2,-0.3 -91,-0.1 0.638 95.6 51.2 -82.9 -15.4 37.1 34.9 41.9 107 108 A E + 0 0 49 -93,-0.5 -91,-3.5 -94,-0.3 2,-0.5 -0.909 66.5 167.1-130.1 105.4 34.1 35.8 39.7 108 109 A I E +c 16 0A 16 -2,-0.5 107,-3.0 107,-0.4 2,-0.3 -0.969 4.4 174.0-122.7 124.2 32.6 33.1 37.5 109 110 A I E -cH 17 214A 0 -93,-2.6 -91,-3.0 -2,-0.5 2,-0.4 -0.822 25.4-123.3-123.5 164.4 29.2 33.5 35.7 110 111 A A E -c 18 0A 0 103,-1.9 2,-0.3 -2,-0.3 -91,-0.2 -0.899 26.1-169.4-112.4 139.1 27.4 31.3 33.2 111 112 A A E +c 19 0A 0 -93,-2.3 -91,-0.6 -2,-0.4 2,-0.3 -0.932 15.9 157.5-131.2 152.8 26.2 32.4 29.7 112 113 A S > - 0 0 0 -2,-0.3 3,-0.8 -93,-0.1 7,-0.2 -0.876 58.6 -96.4-152.0 174.2 24.0 31.1 26.9 113 114 A F G > S+ 0 0 0 90,-0.8 94,-2.0 -2,-0.3 3,-1.7 0.859 119.6 73.2 -66.9 -30.3 22.2 32.9 24.0 114 115 A L G 3 S+ 0 0 0 89,-0.5 95,-2.5 1,-0.3 94,-0.6 0.764 112.9 20.4 -52.2 -31.9 19.2 32.7 26.4 115 116 A N G <> S+ 0 0 0 -3,-0.8 4,-2.2 92,-0.2 -1,-0.3 -0.035 84.7 131.6-130.7 31.9 20.7 35.4 28.6 116 117 A L H <> S+ 0 0 3 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.902 73.7 44.8 -51.7 -55.3 23.1 37.1 26.2 117 118 A S H > S+ 0 0 42 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.886 112.2 52.4 -61.6 -39.5 22.1 40.7 26.8 118 119 A A H > S+ 0 0 20 91,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.889 110.2 49.5 -63.1 -38.7 22.0 40.3 30.6 119 120 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.919 110.1 49.7 -65.7 -45.7 25.5 38.8 30.5 120 121 A V H X S+ 0 0 3 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.925 111.0 49.5 -59.9 -45.2 26.8 41.7 28.4 121 122 A E H < S+ 0 0 132 -4,-2.5 4,-0.4 1,-0.2 3,-0.4 0.886 110.0 52.0 -61.2 -38.8 25.3 44.3 30.8 122 123 A Y H < S+ 0 0 49 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.880 111.1 47.3 -63.5 -39.4 26.9 42.4 33.7 123 124 A L H >< S+ 0 0 0 -4,-2.1 3,-2.7 1,-0.2 -1,-0.2 0.621 83.8 94.0 -78.9 -16.0 30.3 42.5 32.1 124 125 A K T 3< S+ 0 0 98 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.1 0.855 94.7 36.4 -43.9 -46.5 30.2 46.2 31.1 125 126 A S T 3 S+ 0 0 92 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.3 0.213 99.4 108.0 -95.3 15.2 32.0 47.3 34.3 126 127 A K < - 0 0 28 -3,-2.7 2,-0.3 -111,-0.0 3,-0.2 -0.748 50.4-158.7-100.2 142.0 34.3 44.2 34.4 127 128 A E + 0 0 133 -2,-0.3 -112,-0.2 1,-0.2 -2,-0.0 -0.734 69.4 23.4-111.0 161.2 38.0 44.1 33.7 128 129 A D S S- 0 0 84 -2,-0.3 -113,-2.2 1,-0.2 -114,-0.6 0.947 79.1-174.6 48.0 64.4 40.2 41.2 32.6 129 130 A I E - b 0 15A 2 -3,-0.2 -127,-1.7 -115,-0.2 2,-0.5 -0.729 13.1-170.5 -93.1 135.6 37.4 39.1 31.2 130 131 A L E -ab 2 16A 4 -115,-2.4 -113,-2.3 -2,-0.4 2,-0.7 -0.986 11.4-152.9-127.4 120.8 38.0 35.6 30.0 131 132 A L E -ab 3 17A 2 -129,-2.8 -127,-2.5 -2,-0.5 2,-0.8 -0.852 15.0-158.1 -93.9 115.9 35.3 33.7 28.1 132 133 A V E -ab 4 18A 0 -115,-3.1 -113,-2.8 -2,-0.7 2,-0.4 -0.836 2.9-161.1-102.7 104.7 35.8 30.0 28.7 133 134 A C E -ab 5 19A 0 -129,-3.0 -127,-3.5 -2,-0.8 -113,-0.2 -0.691 10.0-149.0 -84.2 130.3 34.2 27.8 26.1 134 135 A A - 0 0 12 -115,-2.9 4,-0.2 -2,-0.4 -1,-0.1 0.850 26.6-157.1 -68.0 -36.7 33.8 24.2 27.3 135 136 A G - 0 0 10 -116,-0.3 2,-0.4 6,-0.1 5,-0.2 -0.180 22.2 -87.9 80.2 177.5 34.3 22.5 23.9 136 137 A T B > S-L 139 0D 24 3,-2.3 3,-2.3 1,-0.1 -1,-0.1 -0.948 89.8 -26.8-134.8 114.0 32.9 19.0 23.1 137 138 A N T 3 S- 0 0 119 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.810 125.5 -51.0 54.5 33.3 34.9 15.8 23.8 138 139 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.373 117.8 112.1 88.6 -5.6 38.1 17.8 23.5 139 140 A R B < S-L 136 0D 74 -3,-2.3 -3,-2.3 1,-0.1 -1,-0.3 -0.576 78.7 -83.7-101.2 164.5 37.1 19.3 20.2 140 141 A F - 0 0 5 87,-0.5 2,-0.6 -5,-0.2 246,-0.3 -0.389 38.8-144.7 -62.8 136.8 36.3 22.9 19.1 141 142 A S > - 0 0 0 1,-0.2 4,-2.2 245,-0.1 5,-0.2 -0.924 8.2-164.1-110.0 112.0 32.6 23.8 19.8 142 143 A L H > S+ 0 0 0 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.908 88.5 51.3 -60.5 -44.8 31.2 26.1 17.1 143 144 A E H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 110.6 48.0 -63.8 -36.9 28.2 27.2 19.2 144 145 A D H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 113.1 48.9 -67.0 -44.8 30.3 28.1 22.2 145 146 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.871 109.3 53.2 -61.0 -39.1 32.7 30.1 20.0 146 147 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.910 109.9 46.1 -65.2 -43.5 29.8 31.9 18.3 147 148 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.919 111.6 52.7 -64.9 -41.7 28.3 33.0 21.7 148 149 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.930 110.6 47.8 -59.1 -43.4 31.8 34.1 22.8 149 150 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.876 109.3 53.4 -64.7 -37.4 32.1 36.2 19.6 150 151 A A H X S+ 0 0 3 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.903 110.9 46.3 -63.8 -42.3 28.6 37.6 20.1 151 152 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.935 111.9 50.8 -65.2 -47.9 29.6 38.8 23.6 152 153 A V H X S+ 0 0 10 -4,-2.6 4,-1.5 1,-0.2 5,-0.4 0.917 109.7 50.3 -56.6 -46.2 32.9 40.2 22.5 153 154 A K H < S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 109.8 51.0 -61.9 -37.8 31.3 42.2 19.7 154 155 A R H < S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.840 108.6 51.6 -69.4 -33.6 28.7 43.7 22.1 155 156 A L H < S- 0 0 15 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.792 84.1-161.1 -73.9 -30.6 31.4 44.8 24.6 156 157 A K < + 0 0 142 -4,-1.5 2,-0.1 -5,-0.2 -3,-0.1 0.916 20.8 178.5 45.1 59.1 33.5 46.6 22.0 157 158 A R - 0 0 62 -5,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.435 35.9-134.4 -85.6 162.2 36.6 46.7 24.1 158 159 A N S S+ 0 0 157 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.332 92.9 60.8 -98.4 6.3 39.9 48.2 23.0 159 160 A D + 0 0 73 2,-0.0 2,-0.4 -157,-0.0 -1,-0.2 -0.805 64.2 168.5-137.9 93.3 41.9 45.2 24.2 160 161 A L - 0 0 47 -2,-0.4 -158,-0.2 -3,-0.1 2,-0.1 -0.900 24.6-139.9-111.1 134.5 41.2 41.9 22.7 161 162 A G > - 0 0 14 -160,-3.1 4,-2.3 -2,-0.4 3,-0.3 -0.322 39.8 -92.3 -78.4 171.0 43.2 38.7 23.0 162 163 A D H > S+ 0 0 3 202,-0.3 4,-2.3 1,-0.2 5,-0.2 0.877 125.9 49.5 -51.1 -46.7 43.8 36.4 20.1 163 164 A G H > S+ 0 0 0 -160,-0.3 4,-2.4 201,-0.2 -1,-0.2 0.878 110.7 49.4 -63.0 -40.1 40.8 34.2 20.9 164 165 A A H > S+ 0 0 0 -3,-0.3 4,-2.5 -163,-0.2 -1,-0.2 0.876 111.0 49.4 -67.4 -41.4 38.4 37.2 21.3 165 166 A H H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.942 113.8 45.5 -64.3 -46.8 39.5 38.7 18.0 166 167 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.916 114.2 49.0 -62.6 -42.6 39.0 35.4 16.1 167 168 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.898 111.2 49.8 -64.3 -41.8 35.6 34.8 17.8 168 169 A E H X S+ 0 0 29 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.940 111.8 47.5 -62.8 -47.8 34.4 38.3 17.0 169 170 A R H X S+ 0 0 42 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.909 113.0 49.4 -60.7 -41.5 35.4 38.0 13.3 170 171 A Y H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.931 109.4 51.7 -63.4 -44.5 33.7 34.6 13.2 171 172 A F H >< S+ 0 0 54 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.897 104.2 57.7 -58.0 -40.6 30.6 36.0 14.8 172 173 A E H 3< S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.710 100.4 58.5 -64.3 -20.0 30.5 38.8 12.2 173 174 A S T << S+ 0 0 47 -3,-1.2 2,-0.6 -4,-0.7 -1,-0.3 0.526 87.1 93.4 -86.7 -7.2 30.4 36.1 9.4 174 175 A V < + 0 0 21 -3,-1.6 3,-0.2 -4,-0.4 -4,-0.0 -0.788 44.1 177.2 -95.6 120.2 27.2 34.6 10.7 175 176 A E S S+ 0 0 190 -2,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.846 78.4 22.6 -86.0 -36.8 23.9 35.8 9.3 176 177 A N > - 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0 0 10 -2,-0.5 3,-3.1 -51,-0.3 -31,-0.1 -0.734 53.1 -85.5-121.8 171.8 60.4 26.1 22.5 318 95 B T T 3 S+ 0 0 48 1,-0.3 3,-0.1 -2,-0.2 -32,-0.1 0.818 128.0 50.8 -46.9 -40.8 57.8 27.2 24.9 319 96 B N T >> S- 0 0 24 1,-0.2 3,-1.9 40,-0.1 4,-0.6 0.356 89.2-174.9 -82.2 8.5 55.2 24.7 23.7 320 97 B G T <4 - 0 0 11 -3,-3.1 -1,-0.2 1,-0.3 -3,-0.2 -0.040 62.4 -40.6 39.1-112.1 57.8 22.0 24.0 321 98 B T T 3> S+ 0 0 15 -3,-0.1 4,-2.9 2,-0.1 -1,-0.3 0.056 102.0 121.1-130.4 16.2 56.4 18.8 22.7 322 99 B Q H <> S+ 0 0 69 -3,-1.9 4,-0.7 1,-0.2 -2,-0.1 0.870 78.3 41.5 -50.2 -46.5 53.0 19.3 24.2 323 100 B V H >X S+ 0 0 13 -4,-0.6 3,-1.1 2,-0.2 4,-0.5 0.964 115.5 48.1 -69.1 -53.0 51.3 19.2 20.8 324 101 B I H >4 S+ 0 0 31 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.885 105.4 59.0 -55.3 -44.3 53.2 16.3 19.3 325 102 B E H 3< S+ 0 0 95 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.749 105.5 50.0 -59.4 -25.8 52.8 14.1 22.4 326 103 B K H << S+ 0 0 39 -3,-1.1 -91,-2.9 -4,-0.7 2,-0.5 0.522 88.0 102.5 -92.4 -5.9 49.0 14.3 22.1 327 104 B I E << -v 235 0F 12 -3,-1.5 2,-0.7 -4,-0.5 -91,-0.2 -0.680 45.4-175.9 -85.8 123.5 48.9 13.3 18.4 328 105 B R E +v 236 0F 132 -93,-2.8 -91,-1.8 -2,-0.5 2,-0.3 -0.863 37.5 129.6-115.6 90.5 48.0 9.7 17.6 329 106 B S - 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0 0 53 -3,-2.3 2,-0.3 -111,-0.0 3,-0.2 -0.763 54.9-153.3-107.3 151.2 44.8 12.7 2.4 351 128 B E + 0 0 121 -2,-0.3 -112,-0.3 1,-0.2 -113,-0.2 -0.772 69.7 22.4-116.4 161.0 41.9 11.6 4.6 352 129 B D S S- 0 0 71 -2,-0.3 -113,-2.1 1,-0.2 -114,-2.1 0.944 79.2-175.2 46.6 64.4 41.0 12.2 8.2 353 130 B I E - o 0 239E 2 -3,-0.2 -127,-1.6 -115,-0.2 2,-0.5 -0.730 15.2-170.9 -94.3 134.9 43.1 15.3 8.6 354 131 B L E -mo 226 240E 2 -115,-2.4 -113,-2.4 -2,-0.4 2,-0.7 -0.990 12.4-152.1-126.6 122.4 43.5 17.2 11.8 355 132 B L E -mo 227 241E 1 -129,-2.8 -127,-2.3 -2,-0.5 2,-0.7 -0.862 16.7-160.7 -93.5 114.8 45.2 20.6 11.9 356 133 B V E -mo 228 242E 0 -115,-2.9 -113,-2.4 -2,-0.7 2,-0.4 -0.856 2.8-162.3-104.9 106.8 46.8 20.9 15.4 357 134 B C E -mo 229 243E 0 -129,-2.7 -127,-3.1 -2,-0.7 -113,-0.2 -0.686 11.7-149.2 -85.7 134.7 47.6 24.4 16.5 358 135 B A - 0 0 8 -115,-2.8 4,-0.3 -2,-0.4 -114,-0.1 0.802 31.2-154.4 -74.7 -27.6 50.1 24.7 19.4 359 136 B G - 0 0 1 -116,-0.4 2,-0.5 6,-0.1 5,-0.2 -0.173 24.1 -75.9 79.5-179.8 48.7 27.9 20.7 360 137 B T B > S-X 363 0H 13 3,-2.5 3,-2.4 1,-0.1 -1,-0.1 -0.949 100.0 -26.1-125.3 111.6 50.5 30.5 22.8 361 138 B N T 3 S- 0 0 98 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.893 125.9 -52.6 54.0 40.2 51.2 29.8 26.5 362 139 B G T 3 S+ 0 0 34 -4,-0.3 -354,-0.3 1,-0.3 -1,-0.3 0.470 121.9 111.0 76.6 -0.2 48.2 27.5 26.4 363 140 B R B < S-X 360 0H 74 -3,-2.4 -3,-2.5 1,-0.1 -1,-0.3 -0.498 81.3 -72.7-100.8 172.6 46.1 30.4 25.0 364 141 B F - 0 0 6 -361,-0.4 2,-0.6 -5,-0.2 -202,-0.3 -0.395 42.1-148.6 -65.3 136.5 44.6 30.9 21.5 365 142 B S > - 0 0 0 1,-0.2 4,-2.2 -203,-0.1 5,-0.2 -0.932 7.1-164.5-111.2 112.7 47.1 31.7 18.8 366 143 B L H > S+ 0 0 0 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.928 90.0 49.5 -61.1 -45.9 45.7 34.0 16.1 367 144 B E H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 111.1 49.6 -63.7 -35.4 48.5 33.2 13.6 368 145 B D H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 112.6 47.8 -67.1 -44.6 48.1 29.4 14.0 369 146 B F H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.854 110.0 53.1 -64.2 -36.4 44.4 29.7 13.5 370 147 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.920 109.3 47.0 -67.8 -43.6 44.8 31.8 10.4 371 148 B L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.930 111.7 52.4 -63.4 -42.6 47.2 29.4 8.8 372 149 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.912 109.8 48.9 -58.2 -43.9 44.8 26.6 9.6 373 150 B G H X S+ 0 0 0 -4,-2.3 4,-2.6 18,-0.2 -1,-0.2 0.873 108.5 53.2 -64.4 -38.0 41.9 28.5 8.0 374 151 B A H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.901 111.4 46.7 -63.2 -42.2 44.0 29.1 4.9 375 152 B I H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.945 111.6 50.3 -65.3 -49.0 44.7 25.4 4.6 376 153 B V H >X S+ 0 0 9 -4,-2.6 3,-1.1 1,-0.2 4,-0.9 0.930 107.4 54.1 -55.6 -47.9 41.1 24.5 5.1 377 154 B K H 3< S+ 0 0 88 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.886 111.7 45.2 -54.9 -41.2 39.8 26.9 2.5 378 155 B R H 3< S+ 0 0 80 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.547 100.3 65.3 -84.1 -7.2 42.2 25.4 -0.1 379 156 B L H << S- 0 0 11 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.710 87.5-154.2 -83.8 -19.2 41.4 21.8 0.6 380 157 B K < + 0 0 152 -4,-0.9 2,-0.2 -3,-0.5 -3,-0.1 0.919 33.1 156.6 45.0 59.0 37.9 22.4 -0.6 381 158 B R - 0 0 56 -5,-0.5 -1,-0.1 1,-0.1 3,-0.1 -0.547 41.4-150.2-103.4 172.6 36.3 19.6 1.5 382 159 B N S S+ 0 0 155 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.391 81.5 77.5-123.2 -2.0 32.7 19.3 2.6 383 160 B D + 0 0 76 -157,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.548 65.4 166.7-107.7 64.9 33.2 17.4 5.8 384 161 B L - 0 0 34 -2,-0.6 -158,-0.2 -3,-0.1 2,-0.1 -0.681 28.1-141.3 -88.7 129.7 34.4 20.2 8.1 385 162 B G > - 0 0 16 -160,-2.9 4,-2.4 -2,-0.4 3,-0.4 -0.356 38.1 -94.5 -76.9 165.8 34.6 19.8 11.8 386 163 B D H > S+ 0 0 3 -246,-0.3 4,-2.4 1,-0.2 5,-0.2 0.862 125.4 49.8 -47.7 -46.7 33.6 22.8 14.0 387 164 B G H > S+ 0 0 0 -247,-0.3 4,-2.3 -160,-0.2 -1,-0.2 0.882 110.1 49.2 -63.1 -41.6 37.2 24.0 14.3 388 165 B A H > S+ 0 0 0 -3,-0.4 4,-2.4 -163,-0.2 -2,-0.2 0.914 112.1 49.0 -64.7 -44.5 37.9 23.8 10.5 389 166 B H H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.930 112.5 46.7 -62.1 -46.6 34.7 25.8 9.8 390 167 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.918 112.8 50.6 -62.4 -42.9 35.5 28.5 12.3 391 168 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -18,-0.2 0.898 110.5 48.6 -62.4 -42.1 39.0 28.8 11.0 392 169 B E H X S+ 0 0 32 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.924 111.4 49.8 -64.6 -44.6 37.9 29.1 7.4 393 170 B R H X S+ 0 0 45 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.908 112.2 48.0 -60.9 -42.8 35.3 31.8 8.3 394 171 B Y H >X S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.5 0.932 109.6 53.0 -63.5 -44.7 38.0 33.7 10.2 395 172 B F H >< S+ 0 0 55 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.902 103.1 57.9 -56.1 -43.1 40.4 33.4 7.3 396 173 B E H 3< S+ 0 0 94 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.704 101.5 57.2 -61.9 -19.7 37.8 34.8 5.0 397 174 B S H << S+ 0 0 44 -3,-1.3 2,-0.4 -4,-0.7 -1,-0.3 0.590 84.2 103.2 -87.7 -11.8 37.6 38.0 7.1 398 175 B V << - 0 0 25 -3,-1.5 3,-0.2 -4,-0.5 -3,-0.0 -0.600 46.2-174.0 -80.9 125.2 41.4 38.7 6.8 399 176 B E S S+ 0 0 188 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.846 79.1 5.2 -83.0 -36.8 42.4 41.5 4.4 400 177 B N > - 0 0 66 1,-0.1 4,-2.9 2,-0.0 -1,-0.3 -0.891 61.1-148.1-153.9 116.7 46.2 41.0 4.8 401 178 B T H > S+ 0 0 20 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.912 98.7 48.1 -50.3 -52.9 47.9 38.2 6.7 402 179 B R H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 116.7 41.1 -55.7 -52.6 51.0 40.2 7.7 403 180 B E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 113.0 55.6 -63.0 -42.0 49.0 43.3 8.9 404 181 B E H X S+ 0 0 13 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.911 112.3 41.1 -57.5 -48.2 46.4 41.1 10.6 405 182 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 7,-0.2 0.918 113.2 51.8 -70.8 -44.2 49.0 39.2 12.7 406 183 B K H < S+ 0 0 40 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.901 119.4 38.0 -59.5 -36.9 51.1 42.3 13.5 407 184 B K H < S+ 0 0 145 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.840 129.1 24.9 -84.8 -33.8 48.0 44.1 14.8 408 185 B H H < S+ 0 0 42 -4,-2.3 2,-0.5 -5,-0.2 -3,-0.2 0.533 93.7 93.3-113.9 -7.4 46.0 41.3 16.5 409 186 B S X - 0 0 1 -4,-2.1 4,-1.9 -5,-0.2 5,-0.1 -0.786 55.6-155.7 -91.4 126.1 48.4 38.6 17.6 410 187 B S H > S+ 0 0 63 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.886 97.3 49.0 -66.1 -38.6 49.6 38.9 21.2 411 188 B H H > S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.871 107.5 55.0 -69.6 -35.8 52.7 36.9 20.5 412 189 B A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.909 107.9 49.8 -62.1 -40.7 53.4 38.9 17.4 413 190 B K H X S+ 0 0 124 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 110.4 50.0 -64.3 -41.4 53.3 42.1 19.6 414 191 B R H X S+ 0 0 81 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.936 111.3 49.1 -61.6 -46.5 55.7 40.4 22.0 415 192 B L H ><>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.2 3,-0.7 0.925 110.2 50.5 -59.5 -45.0 58.1 39.5 19.2 416 193 B I H ><5S+ 0 0 53 -4,-2.7 3,-1.8 4,-0.3 5,-0.4 0.913 106.5 55.4 -59.6 -41.5 57.9 43.1 17.8 417 194 B S H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.758 107.7 49.8 -63.6 -24.7 58.8 44.5 21.3 418 195 B L T <<5S- 0 0 66 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.327 126.9 -97.6 -95.6 5.3 61.9 42.3 21.4 419 196 B G T < 5S+ 0 0 62 -3,-1.8 3,-0.3 -4,-0.2 -3,-0.2 0.648 91.2 119.0 88.9 18.2 63.1 43.4 17.9 420 197 B F >>< + 0 0 46 -5,-2.9 4,-1.3 1,-0.2 3,-1.0 0.052 24.3 118.3-104.1 25.5 61.7 40.4 16.0 421 198 B E H 3> S+ 0 0 76 -5,-0.4 4,-1.8 -6,-0.3 -1,-0.2 0.859 74.2 61.7 -58.6 -32.3 59.3 42.2 13.6 422 199 B N H 3> S+ 0 0 100 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.855 98.3 56.4 -60.9 -34.9 61.4 40.9 10.8 423 200 B D H <> S+ 0 0 2 -3,-1.0 4,-3.2 1,-0.2 -1,-0.2 0.877 103.8 53.1 -64.3 -39.2 60.6 37.4 11.9 424 201 B I H X S+ 0 0 0 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.916 110.2 47.3 -63.6 -41.7 56.9 38.1 11.6 425 202 B E H < S+ 0 0 54 -4,-1.8 3,-0.2 2,-0.2 -2,-0.2 0.915 115.8 44.8 -66.0 -41.5 57.4 39.4 8.0 426 203 B F H >< S+ 0 0 43 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.958 111.9 51.5 -66.6 -49.7 59.5 36.3 7.1 427 204 B C H 3< S+ 0 0 0 -4,-3.2 -90,-0.7 1,-0.3 -89,-0.4 0.689 111.7 47.5 -63.0 -20.1 57.1 33.8 8.8 428 205 B T T 3< S+ 0 0 10 -4,-1.1 2,-0.8 -3,-0.2 -1,-0.3 0.310 82.9 109.2-103.3 7.5 54.1 35.2 6.9 429 206 B T S X S- 0 0 48 -3,-1.9 3,-0.6 -4,-0.2 2,-0.1 -0.753 71.0-130.4 -85.8 112.1 55.8 35.2 3.5 430 207 B E T 3 - 0 0 90 -2,-0.8 -92,-0.3 1,-0.2 -93,-0.1 -0.357 68.9 -2.5 -70.7 140.5 54.1 32.5 1.6 431 208 B D T 3 + 0 0 65 -94,-1.8 -1,-0.2 1,-0.1 -92,-0.2 0.791 66.5 141.6 54.5 44.2 55.9 29.8 -0.3 432 209 B L S < S+ 0 0 84 -94,-0.7 2,-0.3 -3,-0.6 -93,-0.2 0.692 79.3 35.6 -78.6 -19.2 59.6 30.6 0.1 433 210 B F - 0 0 38 -95,-2.3 -91,-0.4 2,-0.1 -92,-0.2 -0.941 61.7-158.1-132.9 154.7 60.0 26.9 0.4 434 211 B K + 0 0 175 -2,-0.3 2,-0.2 -93,-0.1 -95,-0.1 -0.002 57.2 116.9-119.8 25.7 58.3 23.8 -1.2 435 212 B T - 0 0 29 -182,-0.1 -92,-0.1 11,-0.0 -93,-0.1 -0.546 49.7-155.0 -95.5 160.4 59.2 21.3 1.5 436 213 B V - 0 0 32 -2,-0.2 11,-0.4 11,-0.1 -101,-0.1 -0.786 16.3-148.3-136.8 90.6 57.0 19.3 3.8 437 214 B P - 0 0 0 0, 0.0 -103,-1.8 0, 0.0 2,-0.4 -0.327 13.2-159.4 -59.8 136.4 58.7 18.2 7.0 438 215 B A E -TU 333 445E 15 7,-2.7 7,-2.6 -105,-0.2 2,-0.7 -0.943 17.0-126.3-121.0 140.9 57.5 14.9 8.4 439 216 B L E + U 0 444E 29 -107,-3.1 2,-0.5 -2,-0.4 -107,-0.4 -0.789 33.5 174.5 -88.4 115.3 57.9 13.7 11.9 440 217 B V E > S- U 0 443E 47 3,-2.7 3,-1.1 -2,-0.7 -2,-0.0 -0.965 70.6 -23.2-125.7 112.2 59.6 10.2 11.9 441 218 B N T 3 S- 0 0 163 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.901 129.0 -47.2 54.7 44.4 60.6 8.7 15.3 442 219 B G T 3 S+ 0 0 37 1,-0.2 2,-0.4 -118,-0.0 -1,-0.3 0.579 119.7 103.5 77.1 10.5 60.6 12.1 16.9 443 220 B V E < - U 0 440E 39 -3,-1.1 -3,-2.7 -179,-0.2 2,-0.5 -0.989 65.4-137.3-128.0 126.0 62.7 13.9 14.3 444 221 B F E +QU 263 439E 2 -181,-3.2 -181,-2.0 -2,-0.4 2,-0.3 -0.712 42.6 155.6 -80.2 126.2 61.3 16.2 11.6 445 222 B I E - U 0 438E 44 -7,-2.6 -7,-2.7 -2,-0.5 2,-0.5 -0.832 45.4-104.4-140.2 177.8 63.0 15.4 8.3 446 223 B L + 0 0 76 -185,-0.3 2,-0.3 -2,-0.3 -11,-0.0 -0.925 46.4 161.5-108.5 134.4 62.5 15.6 4.6 447 224 B K 0 0 136 -2,-0.5 -11,-0.1 -11,-0.4 -2,-0.0 -0.972 360.0 360.0-149.0 160.6 61.5 12.4 2.8 448 225 B E 0 0 238 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.426 360.0 360.0 -79.2 360.0 60.0 11.3 -0.5