==== 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 18-MAY-07 2Q05 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS WR; . AUTHOR J.OSIPIUK,T.SKARINA,O.KAGAN,A.SAVCHENKO,A.EDWARDS,A.JOACHIMI . 713 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 64 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.2 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 0 4 0 0 0 0 5 5 4 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 12 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 -15 A H 0 0 142 0, 0.0 2,-0.3 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 17.6 110.4 38.0 75.7 2 -14 A H - 0 0 54 16,-0.2 2,-0.4 12,-0.1 17,-0.0 -0.664 360.0-127.9 -94.1 151.1 109.1 41.2 77.4 3 -13 A H - 0 0 79 -2,-0.3 2,-0.5 7,-0.1 11,-0.0 -0.774 13.9-151.2-112.5 135.4 110.2 42.2 80.8 4 -12 A H + 0 0 109 -2,-0.4 2,-0.2 156,-0.0 153,-0.0 -0.920 46.0 85.9-120.5 113.5 108.2 43.0 83.9 5 -11 A S - 0 0 76 -2,-0.5 156,-0.1 1,-0.1 2,-0.0 -0.590 55.6-127.6-152.3-131.2 109.0 45.3 86.9 6 -10 A S 0 0 30 -2,-0.2 37,-0.2 155,-0.0 -1,-0.1 -0.022 360.0 360.0-150.8-103.4 108.6 49.1 87.4 7 -9 A G 0 0 61 35,-1.2 37,-0.3 37,-0.2 38,-0.3 0.997 360.0 360.0 84.7 360.0 111.3 51.7 88.5 8 ! 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 9 -4 A Y 0 0 131 0, 0.0 3,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 142.6 114.0 53.5 79.9 10 -3 A F > + 0 0 101 1,-0.2 4,-0.8 3,-0.1 3,-0.3 0.318 360.0 67.3 -65.2 13.6 113.6 49.8 79.0 11 -2 A Q T 4 S+ 0 0 11 2,-0.2 2,-1.2 1,-0.2 -1,-0.2 0.898 95.3 41.3-105.8 -58.4 111.7 50.9 76.0 12 -1 A G T 4 S+ 0 0 84 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.275 127.7 45.0 -79.2 47.7 113.9 52.7 73.5 13 0 A H T 4 S+ 0 0 144 -2,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.371 91.8 82.6-159.6 -51.2 116.2 49.9 74.5 14 1 A X S < S- 0 0 28 -4,-0.8 -1,-0.2 1,-0.2 -12,-0.1 -0.194 98.0 -65.6 -71.2 165.3 114.4 46.5 74.6 15 2 A D > - 0 0 81 -14,-0.2 4,-1.6 1,-0.1 -1,-0.2 -0.299 46.2-153.1 -49.6 121.3 113.8 44.2 71.7 16 3 A K H > S+ 0 0 117 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.924 90.2 55.3 -74.4 -44.2 111.3 46.2 69.5 17 4 A K H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 110.4 47.2 -50.3 -48.6 109.6 43.2 67.9 18 5 A S H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 113.1 50.9 -61.0 -39.0 108.8 41.8 71.3 19 6 A L H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.939 112.9 42.1 -62.6 -54.7 107.6 45.2 72.4 20 7 A Y H X S+ 0 0 23 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.861 113.3 54.0 -64.9 -38.8 105.2 45.7 69.4 21 8 A K H X S+ 0 0 55 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.981 111.5 45.0 -60.0 -54.4 104.0 42.2 69.6 22 9 A Y H X S+ 0 0 35 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.934 116.7 45.0 -53.7 -52.1 103.1 42.5 73.3 23 10 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.905 112.3 50.7 -60.2 -44.1 101.4 45.9 72.8 24 11 A L H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.872 113.3 45.5 -67.0 -36.0 99.5 44.9 69.7 25 12 A L H ><>S+ 0 0 20 -4,-2.3 5,-2.1 -5,-0.3 3,-0.8 0.946 114.4 48.6 -68.2 -48.3 98.2 41.8 71.4 26 13 A R H ><5S+ 0 0 51 -4,-2.9 3,-1.0 -5,-0.2 -2,-0.2 0.898 112.4 50.2 -54.2 -40.7 97.3 43.8 74.5 27 14 A S H 3<5S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.599 105.6 54.1 -80.4 -14.6 95.6 46.4 72.4 28 15 A T T <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.160 130.0 -78.5-112.7 23.6 93.4 44.1 70.4 29 16 A G T < 5S+ 0 0 14 -3,-1.0 2,-1.3 176,-0.2 -3,-0.2 0.506 88.3 126.1 104.6 8.9 91.9 42.4 73.3 30 17 A D < + 0 0 65 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.1 -0.538 45.5 132.7 -91.4 69.8 94.2 39.8 74.8 31 18 A X - 0 0 16 -2,-1.3 537,-0.3 -4,-0.1 2,-0.1 -0.895 57.3-112.5-122.5 148.8 94.0 41.4 78.3 32 19 A H - 0 0 63 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.474 38.8 -99.2 -76.4 149.0 93.4 39.8 81.7 33 20 A R - 0 0 23 533,-0.3 535,-0.1 535,-0.1 -1,-0.1 -0.433 55.5 -90.2 -56.2 139.9 90.3 40.4 83.6 34 21 A A - 0 0 37 -2,-0.1 2,-0.3 -3,-0.1 130,-0.2 -0.274 47.1-177.3 -55.0 136.7 90.9 43.1 86.3 35 22 A K - 0 0 35 128,-1.7 349,-0.2 -3,-0.1 350,-0.1 -0.986 32.3-100.3-137.2 148.2 92.1 41.9 89.7 36 23 A S B -a 384 0A 40 347,-2.0 349,-2.8 -2,-0.3 90,-0.1 -0.449 33.4-118.6 -80.7 137.3 92.7 44.2 92.7 37 24 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 126,-0.1 -0.247 27.0-179.1 -61.7 153.4 96.2 45.3 93.7 38 25 A T + 0 0 49 1,-0.2 13,-0.2 124,-0.1 2,-0.1 0.667 60.3 41.1-120.9 -55.3 97.6 44.4 97.1 39 26 A I S S- 0 0 104 1,-0.1 -1,-0.2 11,-0.1 2,-0.1 -0.479 89.1 -94.2 -95.8 168.9 101.1 45.8 97.5 40 27 A X - 0 0 47 -2,-0.1 2,-0.5 10,-0.1 10,-0.2 -0.384 31.3-139.3 -73.1 157.5 102.4 49.2 96.6 41 28 A T E -B 49 0B 10 8,-2.3 8,-2.8 -2,-0.1 2,-0.9 -0.988 6.1-140.3-121.0 128.2 104.2 49.8 93.3 42 29 A R E +B 48 0B 118 -2,-0.5 -35,-1.2 6,-0.2 6,-0.2 -0.795 25.8 175.3 -80.5 108.7 107.2 52.0 93.1 43 30 A V - 0 0 4 4,-2.1 2,-0.2 -2,-0.9 -1,-0.2 0.775 63.4 -0.1 -87.4 -24.1 106.6 53.8 89.8 44 31 A T S S- 0 0 26 3,-1.6 -37,-0.2 -37,-0.3 -1,-0.1 -0.828 96.2 -70.5-151.7 176.6 109.5 56.0 90.0 45 32 A N S S+ 0 0 88 -38,-0.3 -38,-0.0 -2,-0.2 3,-0.0 0.887 129.0 2.0 -45.6 -44.2 112.5 56.9 92.2 46 33 A N S S+ 0 0 8 71,-0.1 73,-2.9 72,-0.1 2,-0.5 0.526 110.1 93.0-123.4 -10.8 110.2 58.5 94.9 47 34 A V E - c 0 119B 0 71,-0.2 -4,-2.1 73,-0.1 -3,-1.6 -0.805 49.2-173.5-103.7 126.4 106.6 58.1 93.7 48 35 A Y E -Bc 42 120B 20 71,-3.0 73,-3.4 -2,-0.5 2,-0.4 -0.901 14.1-147.6-119.0 145.9 104.5 55.1 94.8 49 36 A L E +Bc 41 121B 0 -8,-2.8 -8,-2.3 -2,-0.3 2,-0.3 -0.918 35.8 136.3-110.2 136.2 101.1 53.9 93.9 50 37 A G E - c 0 122B 0 71,-2.1 73,-0.9 -2,-0.4 2,-0.2 -0.919 41.5-104.8-161.9-175.7 98.8 52.2 96.4 51 38 A N > - 0 0 18 -2,-0.3 4,-2.0 -13,-0.2 74,-0.2 -0.548 50.0 -82.7-114.1-178.1 95.5 51.6 98.0 52 39 A Y H > S+ 0 0 89 72,-2.4 4,-2.1 71,-0.3 3,-0.4 0.945 127.8 51.3 -50.9 -58.4 93.9 52.5 101.4 53 40 A K H > S+ 0 0 139 71,-0.4 4,-1.6 1,-0.3 -1,-0.2 0.894 109.0 52.8 -47.1 -46.4 95.5 49.5 103.3 54 41 A N H > S+ 0 0 16 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.893 106.3 54.1 -54.8 -43.1 98.9 50.6 101.8 55 42 A A H >< S+ 0 0 0 -4,-2.0 3,-1.3 -3,-0.4 -2,-0.2 0.943 106.9 49.1 -61.8 -47.3 98.3 54.1 103.2 56 43 A X H 3< S+ 0 0 64 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.826 112.6 49.6 -56.9 -33.8 97.7 52.9 106.7 57 44 A D H 3< S+ 0 0 74 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.459 82.8 97.1 -88.5 -2.2 100.9 50.8 106.5 58 45 A A S X< S+ 0 0 2 -3,-1.3 3,-1.4 -4,-0.6 7,-0.3 0.904 81.2 50.7 -55.2 -47.9 103.0 53.7 105.3 59 46 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.919 112.1 48.5 -55.7 -42.2 104.4 54.6 108.8 60 47 A S T 3 S+ 0 0 108 -4,-0.3 -2,-0.2 -3,-0.1 -3,-0.1 0.408 93.6 110.2 -78.3 0.1 105.4 51.0 109.3 61 48 A S S < S- 0 0 39 -3,-1.4 4,-0.1 -4,-0.4 -3,-0.0 -0.334 76.8-127.4 -73.9 154.7 107.1 50.8 105.9 62 49 A E S S+ 0 0 191 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.805 92.0 90.5 -61.2 -33.0 110.8 50.5 105.2 63 50 A V S S- 0 0 32 1,-0.1 2,-1.5 -5,-0.0 -2,-0.2 -0.533 81.5-135.0 -72.6 125.2 110.2 53.5 102.9 64 51 A K - 0 0 178 -2,-0.3 2,-0.3 55,-0.0 -1,-0.1 -0.639 29.7-165.1 -83.2 86.1 110.7 56.8 104.7 65 52 A F + 0 0 15 -2,-1.5 18,-0.2 -7,-0.3 54,-0.2 -0.567 25.3 176.3 -76.8 131.4 107.6 58.7 103.4 66 53 A K S S+ 0 0 105 52,-1.7 18,-3.2 -2,-0.3 2,-0.3 0.709 73.0 32.6 -95.0 -33.8 107.3 62.5 103.8 67 54 A Y E -de 84 119B 29 51,-1.8 53,-1.2 16,-0.2 2,-0.4 -0.937 53.8-172.3-126.7 148.8 104.0 62.7 101.9 68 55 A V E -de 85 120B 0 16,-1.8 18,-1.1 -2,-0.3 2,-0.7 -0.981 17.3-149.0-135.0 127.0 100.9 60.7 101.3 69 56 A L E -de 86 121B 2 51,-3.6 53,-2.5 -2,-0.4 2,-0.6 -0.861 12.4-161.4-101.4 108.2 98.4 61.9 98.7 70 57 A N E +de 87 122B 1 16,-2.9 18,-2.8 -2,-0.7 53,-0.2 -0.822 18.2 172.4 -98.3 116.1 94.9 60.9 99.7 71 58 A L + 0 0 0 51,-2.1 19,-2.1 -2,-0.6 52,-0.2 0.252 46.7 105.5-105.0 8.4 92.3 60.9 96.9 72 59 A T S S- 0 0 10 2,-0.2 16,-0.1 50,-0.2 19,-0.1 -0.425 83.1-111.7 -81.2 165.4 89.4 59.3 98.8 73 60 A X S S+ 0 0 92 16,-0.2 2,-0.5 17,-0.1 -1,-0.1 0.769 93.9 81.3 -67.7 -26.0 86.5 61.4 100.0 74 61 A D S S- 0 0 118 1,-0.0 -2,-0.2 0, 0.0 2,-0.2 -0.726 71.7-140.3 -97.0 125.8 87.4 60.9 103.6 75 62 A K + 0 0 157 -2,-0.5 2,-0.3 12,-0.1 -2,-0.1 -0.486 30.2 176.4 -67.2 141.9 90.1 62.9 105.5 76 63 A Y - 0 0 23 -2,-0.2 2,-0.3 9,-0.1 9,-0.1 -0.970 21.0-140.2-144.1 163.2 92.1 60.7 107.9 77 64 A T - 0 0 117 -2,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.865 17.3-127.6-118.9 156.0 95.1 61.2 110.2 78 65 A L > - 0 0 12 -2,-0.3 3,-0.9 1,-0.2 7,-0.1 -0.949 30.8-123.3-107.9 118.6 98.0 58.9 110.8 79 66 A P T 3 S- 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.689 85.0 -14.2 -28.5 -96.8 98.4 58.3 114.5 80 67 A N T 3 S+ 0 0 156 -3,-0.1 2,-0.3 2,-0.0 3,-0.0 -0.834 98.3 123.2-113.7 88.4 101.9 59.3 115.4 81 68 A S < - 0 0 34 -3,-0.9 -3,-0.2 -2,-0.6 0, 0.0 -0.987 60.1-133.6-139.6 151.1 103.8 59.6 112.1 82 69 A N + 0 0 178 -2,-0.3 -1,-0.1 -17,-0.1 -16,-0.1 0.762 66.5 121.4 -72.9 -26.1 105.7 62.5 110.6 83 70 A I - 0 0 18 -18,-0.2 2,-0.7 1,-0.1 -16,-0.2 0.014 61.4-132.8 -40.4 133.3 104.1 62.1 107.2 84 71 A N E -d 67 0B 89 -18,-3.2 -16,-1.8 2,-0.0 2,-1.1 -0.862 16.8-149.6 -94.5 117.2 102.2 65.0 105.7 85 72 A I E -d 68 0B 36 -2,-0.7 2,-0.3 -18,-0.2 -16,-0.2 -0.726 9.0-164.9 -95.0 92.4 98.8 63.9 104.4 86 73 A I E -d 69 0B 48 -18,-1.1 -16,-2.9 -2,-1.1 2,-0.5 -0.613 11.4-152.3 -69.5 131.9 97.7 66.0 101.5 87 74 A H E +d 70 0B 38 -2,-0.3 -16,-0.2 -18,-0.2 -12,-0.1 -0.951 26.8 162.9-116.5 122.8 93.9 65.5 100.8 88 75 A I - 0 0 36 -18,-2.8 2,-0.2 -2,-0.5 -15,-0.0 -0.766 28.8-148.8-136.2 88.3 92.4 65.9 97.3 89 76 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 -17,-0.2 -0.397 20.3 178.6 -70.5 128.3 89.0 64.2 97.3 90 77 A L - 0 0 8 -19,-2.1 2,-0.5 -2,-0.2 -17,-0.1 -0.929 26.0-126.6-124.7 152.7 87.9 62.7 93.9 91 78 A V - 0 0 38 -2,-0.3 2,-1.5 -19,-0.1 5,-0.2 -0.841 16.7-138.7 -96.2 130.1 84.8 60.7 92.8 92 79 A D + 0 0 35 -2,-0.5 2,-0.3 3,-0.1 537,-0.1 -0.606 64.6 97.0 -88.8 78.3 85.5 57.5 90.9 93 80 A D S S- 0 0 13 -2,-1.5 3,-0.5 535,-0.1 78,-0.1 -0.887 83.1-100.0-148.0-175.7 82.8 57.7 88.2 94 81 A T S S+ 0 0 68 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 0.316 108.8 62.8 -96.9 10.7 82.5 58.7 84.5 95 82 A T S S+ 0 0 79 2,-0.0 2,-0.4 -4,-0.0 -1,-0.2 0.524 80.9 96.1-106.3 -6.7 81.0 62.1 85.1 96 83 A T - 0 0 36 -3,-0.5 2,-0.5 -5,-0.2 -3,-0.1 -0.693 66.2-132.9 -99.8 136.4 83.8 63.8 87.0 97 84 A D + 0 0 75 -2,-0.4 74,-0.1 1,-0.2 -2,-0.0 -0.658 33.1 160.1 -75.1 122.7 86.6 66.1 85.7 98 85 A I >> + 0 0 0 -2,-0.5 3,-1.9 2,-0.1 4,-0.5 0.496 59.2 85.8-114.2 -14.1 90.0 65.2 87.0 99 86 A S G >4 S+ 0 0 44 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.865 79.3 64.4 -56.0 -39.3 91.9 66.9 84.3 100 87 A K G 34 S+ 0 0 136 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.714 103.3 49.2 -60.0 -18.3 91.8 70.2 86.2 101 88 A Y G <> S+ 0 0 72 -3,-1.9 4,-2.2 1,-0.1 -1,-0.3 0.575 88.6 89.4 -92.4 -11.2 93.9 68.5 88.9 102 89 A F H S+ 0 0 90 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.854 117.1 45.0 -55.4 -44.2 99.1 70.0 86.4 104 91 A D H > S+ 0 0 124 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.885 115.3 46.6 -66.5 -42.0 99.1 70.6 90.1 105 92 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.885 115.5 45.2 -71.1 -37.8 99.4 67.0 91.0 106 93 A T H X S+ 0 0 12 -4,-3.1 4,-3.1 -5,-0.2 -2,-0.2 0.879 112.5 51.4 -73.6 -38.0 102.1 66.3 88.4 107 94 A A H X S+ 0 0 57 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.916 112.1 47.6 -61.9 -43.4 104.0 69.4 89.5 108 95 A F H X S+ 0 0 36 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.954 114.3 45.2 -61.7 -50.9 103.8 68.2 93.1 109 96 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.923 111.5 53.9 -56.3 -46.3 104.9 64.7 92.2 110 97 A S H X S+ 0 0 19 -4,-3.1 4,-1.3 1,-0.2 3,-0.2 0.889 106.9 51.7 -54.6 -44.7 107.7 66.2 90.1 111 98 A K H X S+ 0 0 92 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.895 105.6 55.8 -58.5 -43.1 108.9 68.2 93.1 112 99 A C H <>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 -1,-0.2 0.809 106.2 50.8 -64.0 -32.0 109.0 65.1 95.2 113 100 A D H <5S+ 0 0 26 -4,-1.5 3,-0.5 -3,-0.2 -1,-0.2 0.804 111.4 46.8 -75.4 -31.4 111.3 63.3 92.8 114 101 A Q H <5S+ 0 0 140 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.966 116.8 41.4 -74.4 -54.0 113.8 66.2 92.6 115 102 A R T <5S- 0 0 144 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.185 111.0-124.4 -78.1 18.8 114.0 66.8 96.4 116 103 A N T 5 + 0 0 95 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.817 56.1 152.9 33.7 55.1 114.0 62.9 96.8 117 104 A E < - 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0 0 93 1,-0.2 4,-2.1 4,-0.1 -1,-0.2 -0.213 50.6-156.9 -49.5 114.6 91.1 64.1 62.5 194 3 B K H > S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.822 86.7 55.8 -66.1 -33.6 93.9 62.9 64.9 195 4 B K H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.964 113.5 39.1 -70.2 -46.2 92.1 63.8 68.1 196 5 B S H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 119.3 49.0 -62.0 -43.3 89.0 61.8 67.4 197 6 B L H X S+ 0 0 9 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.901 113.6 43.2 -64.9 -47.9 91.1 59.0 65.8 198 7 B Y H X S+ 0 0 45 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.890 112.4 53.0 -73.6 -35.9 93.7 58.6 68.7 199 8 B K H X S+ 0 0 59 -4,-1.9 4,-2.2 -5,-0.4 5,-0.3 0.927 113.7 46.1 -59.0 -41.7 91.0 58.9 71.3 200 9 B Y H X S+ 0 0 62 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.970 117.1 40.0 -65.7 -57.5 89.3 56.1 69.5 201 10 B L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.951 117.4 50.5 -59.8 -48.5 92.3 53.8 68.9 202 11 B L H X S+ 0 0 0 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.858 114.1 41.6 -61.1 -40.3 93.7 54.5 72.4 203 12 B L H ><>S+ 0 0 24 -4,-2.2 5,-1.8 -5,-0.3 3,-1.0 0.933 116.5 49.9 -70.0 -41.9 90.4 53.7 74.3 204 13 B R H ><5S+ 0 0 45 -4,-2.4 3,-0.8 -5,-0.3 -2,-0.2 0.875 111.9 49.9 -63.3 -34.7 89.8 50.7 72.1 205 14 B S H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.542 106.6 54.5 -83.3 -9.1 93.4 49.5 72.8 206 15 B T T <<5S- 0 0 1 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 -0.064 131.5 -73.5-118.0 32.0 93.2 49.9 76.6 207 16 B G T < 5S+ 0 0 23 -3,-0.8 2,-0.6 -180,-0.2 -3,-0.2 0.670 91.8 122.2 97.4 18.4 90.2 47.8 77.2 208 17 B D < + 0 0 42 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.1 -0.564 40.7 135.3-110.9 67.9 87.1 49.7 76.1 209 18 B X - 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0 0 32 -18,-2.5 2,-0.4 -2,-0.6 -2,-0.0 -0.879 28.8-148.1-117.3 95.2 90.7 25.1 52.9 267 76 B P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.492 24.0-177.4 -67.8 118.1 89.4 23.2 56.0 268 77 B L - 0 0 6 -19,-1.3 2,-0.4 -2,-0.4 39,-0.1 -0.914 23.9-131.2-117.7 148.5 90.8 25.1 59.0 269 78 B V - 0 0 56 -2,-0.4 2,-0.9 6,-0.1 -19,-0.0 -0.767 13.1-143.7 -89.3 135.1 90.6 24.5 62.7 270 79 B D + 0 0 67 -2,-0.4 2,-0.3 3,-0.0 36,-0.0 -0.785 57.0 110.5 -98.0 86.2 89.5 27.4 64.9 271 80 B D S S- 0 0 55 -2,-0.9 78,-0.1 3,-0.1 -2,-0.0 -0.893 78.0-103.7-144.8-178.4 91.7 26.8 68.0 272 81 B T S S+ 0 0 91 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.425 111.8 48.8 -91.9 3.4 94.5 28.4 69.8 273 82 B T S S+ 0 0 108 2,-0.0 -1,-0.2 75,-0.0 -3,-0.0 0.736 81.6 99.0-112.5 -28.9 97.1 25.9 68.7 274 83 B T - 0 0 40 1,-0.1 2,-0.6 2,-0.0 -3,-0.1 -0.277 68.4-127.5 -65.6 144.8 96.7 25.5 64.9 275 84 B D + 0 0 64 1,-0.1 -6,-0.1 2,-0.0 -1,-0.1 -0.814 34.3 164.4 -90.2 122.2 99.0 27.3 62.6 276 85 B I >> + 0 0 2 -2,-0.6 3,-2.1 2,-0.1 4,-0.5 0.530 59.3 86.9-109.3 -12.1 97.3 29.3 59.9 277 86 B S H >> S+ 0 0 42 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.821 75.9 70.3 -61.6 -28.8 100.2 31.4 58.9 278 87 B K H 34 S+ 0 0 142 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.726 101.3 46.9 -60.8 -19.9 101.3 28.7 56.4 279 88 B Y H <> S+ 0 0 74 -3,-2.1 4,-2.4 1,-0.1 5,-0.3 0.585 87.5 91.3 -94.0 -11.6 98.3 29.6 54.3 280 89 B F H S+ 0 0 122 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.880 116.8 44.6 -57.8 -45.9 98.7 31.6 49.0 283 92 B V H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.936 115.3 45.6 -70.6 -47.0 95.4 33.1 50.2 284 93 B T H X S+ 0 0 15 -4,-3.2 4,-3.0 -5,-0.3 5,-0.2 0.938 113.1 52.0 -63.5 -39.3 96.5 36.7 50.0 285 94 B A H X S+ 0 0 60 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.901 112.8 46.1 -59.4 -42.2 98.1 36.1 46.5 286 95 B F H X S+ 0 0 35 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.867 114.2 45.7 -67.0 -38.3 94.8 34.6 45.4 287 96 B L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.904 111.2 53.9 -75.2 -38.6 92.6 37.4 46.9 288 97 B S H X S+ 0 0 34 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.917 106.9 51.5 -56.1 -46.1 95.0 39.9 45.4 289 98 B K H X S+ 0 0 86 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.916 105.4 54.8 -62.4 -44.0 94.5 38.2 42.0 290 99 B C H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 4,-0.3 0.894 110.2 48.2 -54.3 -41.3 90.7 38.4 42.3 291 100 B D H ><5S+ 0 0 24 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.943 109.7 51.1 -64.6 -46.2 91.1 42.1 42.9 292 101 B Q H 3<5S+ 0 0 152 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 119.5 36.7 -54.2 -41.8 93.5 42.5 39.9 293 102 B R T 3<5S- 0 0 143 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.304 108.4-121.0 -97.3 8.1 91.0 40.7 37.6 294 103 B N T < 5 + 0 0 97 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.939 58.9 150.0 46.4 55.6 87.8 42.1 39.2 295 104 B E < - 0 0 33 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.920 45.2-130.2-116.8 101.9 86.4 38.7 40.1 296 105 B P - 0 0 22 0, 0.0 -52,-2.8 0, 0.0 -51,-2.0 -0.244 28.9-175.3 -56.1 135.9 84.3 38.9 43.2 297 106 B V E -hj 225 245D 0 -73,-2.9 -71,-2.7 -53,-0.2 2,-0.5 -0.998 16.5-149.6-135.2 136.9 85.1 36.4 45.9 298 107 B L E -hj 226 246D 0 -53,-1.8 -51,-3.3 -2,-0.4 2,-0.5 -0.916 9.8-161.1-105.1 124.7 83.4 35.7 49.3 299 108 B V E +hj 227 247D 0 -73,-3.4 -71,-2.2 -2,-0.5 2,-0.3 -0.939 25.6 155.0-106.0 127.1 85.6 34.4 52.1 300 109 B H E -hj 228 248D 0 -53,-2.3 -51,-2.7 -2,-0.5 -50,-0.3 -0.968 29.0-175.7-144.1 158.5 83.7 32.7 54.9 301 110 B C - 0 0 4 -73,-0.8 -51,-0.2 -2,-0.3 -68,-0.2 -0.233 62.0 -68.2-120.4-138.7 83.9 30.2 57.8 302 111 B A S S+ 0 0 53 -73,-0.2 -72,-2.5 -2,-0.1 -71,-0.4 0.961 129.8 11.4 -82.0 -59.1 80.8 29.2 59.9 303 112 B A S S- 0 0 49 -74,-0.2 -74,-0.1 -73,-0.1 -1,-0.1 0.555 99.8-123.6 -94.8 -11.2 80.1 32.5 61.9 304 113 B G S S+ 0 0 0 -90,-0.1 38,-0.1 -76,-0.1 -75,-0.1 0.808 83.2 96.8 74.6 30.2 82.4 34.6 59.7 305 114 B V S S+ 0 0 16 38,-0.1 39,-2.9 -90,-0.1 35,-0.0 0.785 83.9 17.0-112.7 -55.3 84.6 35.9 62.6 306 115 B N S > S+ 0 0 25 3,-0.2 4,-2.6 37,-0.2 5,-0.2 0.961 123.0 32.4 -96.3 -65.4 87.8 34.0 63.2 307 116 B R H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.971 131.2 34.8 -62.3 -51.6 89.1 31.8 60.3 308 117 B S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 116.1 56.9 -69.8 -40.4 87.7 34.0 57.5 309 118 B G H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.920 106.6 50.2 -52.1 -49.9 88.4 37.1 59.6 310 119 B A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.901 109.5 49.3 -59.3 -47.9 92.1 36.2 59.9 311 120 B X H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.914 113.5 47.7 -59.0 -41.5 92.5 35.6 56.1 312 121 B I H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.949 112.0 49.1 -65.6 -44.5 90.8 39.0 55.5 313 122 B L H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.917 109.9 52.4 -60.0 -40.3 93.0 40.7 58.0 314 123 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.936 110.4 48.6 -58.6 -46.7 96.1 39.0 56.4 315 124 B Y H X S+ 0 0 2 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.946 111.2 48.3 -61.6 -48.6 95.0 40.3 53.0 316 125 B L H >X S+ 0 0 9 -4,-3.0 3,-0.9 1,-0.2 4,-0.5 0.930 113.8 47.2 -57.8 -46.6 94.5 43.9 54.3 317 126 B X H >< S+ 0 0 2 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.853 103.5 61.5 -64.3 -37.3 97.8 43.9 56.0 318 127 B S H 3< S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.758 99.4 58.0 -62.9 -21.7 99.6 42.5 53.0 319 128 B K H << S+ 0 0 91 -4,-1.0 -1,-0.3 -3,-0.9 2,-0.2 0.719 87.3 92.9 -80.0 -19.8 98.5 45.6 51.1 320 129 B N << - 0 0 10 -3,-1.2 -3,-0.0 -4,-0.5 0, 0.0 -0.552 52.6-173.5 -77.8 139.3 100.3 47.9 53.6 321 130 B K + 0 0 170 -2,-0.2 -1,-0.1 40,-0.0 -3,-0.0 0.527 43.5 111.6-111.1 -10.0 103.8 48.9 52.6 322 131 B E S S- 0 0 99 1,-0.1 40,-0.2 40,-0.1 -2,-0.0 0.037 71.3-114.8 -62.5 175.3 105.1 50.7 55.7 323 132 B S S S+ 0 0 80 1,-0.2 39,-0.3 39,-0.1 38,-0.1 0.926 100.8 5.0 -83.1 -51.0 107.9 49.4 58.0 324 133 B L S S- 0 0 56 37,-0.1 2,-3.0 38,-0.1 3,-0.3 -0.439 74.9-169.2-132.7 63.3 106.1 48.8 61.4 325 134 B P > + 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.1 -0.195 31.8 142.5 -69.9 63.2 102.4 49.5 60.7 326 135 B X H > S+ 0 0 17 -2,-3.0 4,-2.7 2,-0.2 5,-0.2 0.930 72.2 48.7 -61.7 -53.7 101.1 49.6 64.2 327 136 B L H > S+ 0 0 37 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.926 113.8 47.9 -53.7 -46.5 98.6 52.4 63.7 328 137 B Y H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.923 111.0 49.9 -65.8 -45.7 97.3 50.7 60.6 329 138 B F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.928 113.1 45.9 -56.6 -49.4 97.0 47.4 62.3 330 139 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.911 114.5 48.2 -63.3 -41.9 95.1 48.8 65.2 331 140 B Y H X S+ 0 0 14 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.931 113.6 45.5 -64.2 -46.8 92.8 50.9 63.0 332 141 B V H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.928 114.5 48.9 -65.8 -43.8 92.0 48.1 60.7 333 142 B Y H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.953 116.8 39.2 -61.8 -50.0 91.3 45.6 63.5 334 143 B H H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.878 116.1 49.3 -73.3 -37.9 89.1 47.8 65.5 335 144 B S H X S+ 0 0 15 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.943 113.4 48.4 -61.2 -49.7 87.1 49.4 62.6 336 145 B X H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.898 112.8 47.6 -59.3 -40.2 86.5 46.0 61.2 337 146 B R H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.903 112.6 48.5 -69.9 -41.1 85.4 44.7 64.6 338 147 B D H < S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.9 48.2 -61.4 -38.7 83.1 47.7 65.2 339 148 B L H < S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 122.6 30.4 -73.0 -38.7 81.6 47.2 61.7 340 149 B R H < S- 0 0 14 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.748 99.7-123.4 -97.3 -22.0 81.0 43.5 61.9 341 150 B G S < S+ 0 0 2 -4,-2.7 -128,-1.4 -5,-0.2 2,-0.3 -0.122 91.5 29.0 104.0 -34.8 80.3 43.1 65.6 342 151 B A + 0 0 4 -130,-0.2 2,-0.3 -6,-0.2 -131,-0.0 -0.960 64.0 174.7-158.2 139.7 83.1 40.5 66.0 343 152 B F - 0 0 0 -2,-0.3 -37,-0.2 1,-0.1 -38,-0.1 -0.908 67.1 -23.8-157.2 119.0 86.4 40.0 64.1 344 153 B V + 0 0 0 -39,-2.9 -38,-0.2 -2,-0.3 6,-0.1 0.921 64.0 168.4 38.2 68.3 89.3 37.6 64.8 345 154 B E + 0 0 44 4,-0.0 -1,-0.1 5,-0.0 -39,-0.1 0.720 46.6 103.7 -75.0 -24.8 88.5 37.1 68.4 346 155 B N > - 0 0 9 1,-0.2 4,-1.8 2,-0.1 3,-0.3 -0.493 62.2-158.0 -59.5 109.3 91.0 34.2 68.4 347 156 B P H > S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.785 90.1 57.6 -62.7 -28.2 94.2 35.6 70.1 348 157 B S H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.917 105.9 49.8 -69.7 -38.1 96.4 33.0 68.4 349 158 B F H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.903 111.1 49.4 -63.9 -41.5 95.2 34.1 65.0 350 159 B K H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.966 109.3 51.7 -64.7 -50.0 96.0 37.7 65.9 351 160 B R H X S+ 0 0 80 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.881 109.8 49.6 -46.3 -48.9 99.4 36.8 67.2 352 161 B Q H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.894 111.0 49.5 -66.5 -37.4 100.3 35.0 63.9 353 162 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.883 111.7 48.8 -67.6 -37.6 99.1 38.0 61.9 354 163 B I H X>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 4,-2.1 0.946 111.7 49.3 -64.9 -44.7 101.2 40.3 64.0 355 164 B E H <>S+ 0 0 55 -4,-2.8 5,-1.2 1,-0.2 -2,-0.2 0.941 118.3 39.4 -59.5 -47.5 104.2 38.1 63.6 356 165 B K H <5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 128.9 21.4 -72.8 -44.3 103.8 37.8 59.8 357 166 B Y H <5S+ 0 0 16 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.516 126.6 30.4-113.7 -8.9 102.8 41.4 58.8 358 167 B V T <5S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.3 3,-0.2 0.759 118.3 37.6-118.9 -41.6 103.8 43.9 61.4 359 168 B I T - 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0 0 0 -2,-0.3 -37,-0.2 -3,-0.0 -6,-0.1 -0.905 65.1 -21.3-163.3 121.3 96.6 29.0 94.2 518 153 C V + 0 0 0 -39,-2.5 -38,-0.2 -2,-0.3 6,-0.1 0.924 64.5 166.7 36.0 66.5 95.7 26.8 91.3 519 154 C E + 0 0 49 4,-0.0 -1,-0.1 5,-0.0 -39,-0.1 0.649 47.1 100.7 -72.8 -18.5 95.5 29.8 88.9 520 155 C N > - 0 0 9 1,-0.2 4,-1.8 -41,-0.1 3,-0.5 -0.631 63.1-158.2 -75.1 107.3 95.4 27.2 86.0 521 156 C P H > S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.801 90.0 57.5 -58.4 -34.8 91.7 26.8 85.0 522 157 C S H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.901 106.1 49.8 -62.5 -40.0 92.3 23.4 83.4 523 158 C F H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.915 111.3 48.6 -65.4 -41.8 93.6 22.1 86.7 524 159 C K H X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.923 109.1 53.9 -64.5 -40.2 90.6 23.5 88.5 525 160 C R H X S+ 0 0 83 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.916 108.3 49.2 -59.8 -43.7 88.3 21.9 85.9 526 161 C Q H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.894 111.2 49.0 -65.3 -41.2 89.9 18.5 86.5 527 162 C I H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.4 0.938 111.1 50.3 -61.8 -45.9 89.5 18.8 90.3 528 163 C I H X>S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-2.0 0.944 111.9 48.4 -57.1 -48.1 85.9 19.7 89.9 529 164 C E H <5S+ 0 0 55 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 0.902 118.1 39.7 -61.6 -41.9 85.3 16.8 87.6 530 165 C K H <>S+ 0 0 69 -4,-2.4 5,-0.6 -5,-0.2 -1,-0.2 0.907 130.4 21.0 -73.8 -41.3 87.0 14.3 89.9 531 166 C Y H <5S+ 0 0 12 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.533 126.8 28.5-115.2 -9.0 85.8 15.6 93.3 532 167 C V T <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.4 -32,-0.1 0.764 118.6 35.5-116.2 -52.0 82.7 17.6 93.0 533 168 C I T - 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0 0 44 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.944 48.0-128.0-121.2 105.6 54.1 46.9 79.6 653 105 D P - 0 0 21 0, 0.0 -52,-2.7 0, 0.0 -51,-1.6 -0.293 28.5-174.1 -62.0 139.3 57.7 46.8 78.4 654 106 D V E -pr 582 602F 0 -73,-2.4 -71,-2.9 -54,-0.2 2,-0.5 -0.980 14.4-150.2-133.6 139.3 60.2 48.8 80.3 655 107 D L E -pr 583 603F 0 -53,-1.7 -51,-2.3 -2,-0.4 2,-0.5 -0.957 7.5-162.6-110.1 122.2 63.8 49.4 79.6 656 108 D V E +pr 584 604F 0 -73,-3.1 -71,-2.2 -2,-0.5 2,-0.3 -0.940 25.8 156.3-105.3 127.2 66.2 50.0 82.5 657 109 D H E -pr 585 605F 0 -53,-2.0 -51,-2.1 -2,-0.5 -50,-0.2 -0.984 26.1-176.0-143.8 152.6 69.4 51.6 81.5 658 110 D C - 0 0 2 -73,-0.9 -68,-0.2 -2,-0.3 -51,-0.1 -0.341 58.4 -70.3-123.1-143.3 72.3 53.6 82.8 659 111 D A S S+ 0 0 43 -73,-0.2 -72,-2.4 -2,-0.2 -71,-0.4 0.992 129.4 14.9 -78.6 -59.3 75.3 55.0 80.7 660 112 D A S S- 0 0 54 -74,-0.2 -74,-0.1 -73,-0.1 -1,-0.1 0.516 100.6-122.3 -88.8 -8.7 77.2 51.8 79.9 661 113 D G S S+ 0 0 0 -76,-0.1 38,-0.1 -90,-0.1 -75,-0.1 0.815 85.6 92.2 73.0 30.4 74.4 49.4 80.8 662 114 D V S S+ 0 0 14 38,-0.1 39,-2.5 36,-0.1 35,-0.0 0.750 84.8 16.4-120.5 -59.6 76.5 47.5 83.4 663 115 D N S > S+ 0 0 27 3,-0.2 4,-2.5 37,-0.2 5,-0.2 0.954 122.3 35.4 -93.5 -60.3 76.3 48.7 87.1 664 116 D R H > S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.975 131.7 32.3 -62.4 -51.6 73.5 51.0 88.0 665 117 D S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.879 116.9 56.8 -71.9 -40.6 71.0 49.3 85.7 666 118 D G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.910 106.4 50.9 -53.5 -45.3 72.6 45.8 86.1 667 119 D A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.894 109.6 49.2 -64.7 -42.2 72.1 46.0 89.9 668 120 D X H X S+ 0 0 2 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.920 113.8 46.4 -62.5 -41.8 68.4 47.0 89.6 669 121 D I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.911 112.4 50.3 -67.9 -37.7 67.9 44.1 87.1 670 122 D L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.927 109.9 50.3 -67.7 -39.9 69.8 41.7 89.4 671 123 D A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.925 109.6 52.5 -59.0 -43.7 67.7 42.9 92.4 672 124 D Y H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.942 110.3 45.9 -61.9 -49.0 64.6 42.2 90.3 673 125 D L H < S+ 0 0 19 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.848 113.9 49.1 -61.4 -36.6 65.6 38.6 89.4 674 126 D X H >< S+ 0 0 4 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 0.881 103.0 61.6 -71.9 -34.2 66.6 37.9 93.0 675 127 D S H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 99.2 56.8 -62.9 -28.2 63.2 39.3 94.3 676 128 D K T 3< S+ 0 0 106 -4,-1.0 -1,-0.3 -3,-0.3 2,-0.2 0.641 89.4 91.9 -77.1 -17.7 61.4 36.6 92.3 677 129 D N < - 0 0 23 -3,-1.5 -3,-0.0 -4,-0.4 0, 0.0 -0.549 53.3-171.8 -81.0 146.2 63.3 33.8 94.0 678 130 D K + 0 0 193 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.505 43.7 110.9-119.9 -4.7 61.7 32.3 97.2 679 131 D E - 0 0 103 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 -0.070 69.5-121.5 -61.9 170.9 64.4 29.9 98.7 680 132 D S S S+ 0 0 101 1,-0.2 38,-0.2 37,-0.0 -1,-0.1 0.898 101.1 14.5 -88.5 -43.1 66.0 30.9 102.1 681 133 D L S S+ 0 0 73 36,-0.1 2,-2.2 0, 0.0 3,-0.3 -0.560 74.5 179.5-128.0 73.8 69.8 31.0 101.1 682 134 D P > + 0 0 2 0, 0.0 4,-1.5 0, 0.0 5,-0.1 -0.370 24.1 143.5 -81.0 65.1 69.8 31.0 97.3 683 135 D X H > S+ 0 0 29 -2,-2.2 4,-2.4 2,-0.2 5,-0.2 0.887 70.7 50.7 -71.0 -40.8 73.5 31.1 96.6 684 136 D L H > S+ 0 0 54 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.938 109.5 50.1 -62.0 -49.4 73.4 28.9 93.6 685 137 D Y H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.876 109.8 52.1 -59.3 -37.4 70.7 30.9 92.0 686 138 D F H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.948 112.3 44.4 -65.3 -47.7 72.7 34.1 92.6 687 139 D L H X S+ 0 0 9 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.886 113.7 50.9 -61.1 -39.7 75.8 32.7 91.0 688 140 D Y H X S+ 0 0 38 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.934 114.7 41.7 -66.6 -46.8 73.9 31.3 88.1 689 141 D V H X S+ 0 0 6 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.963 116.6 49.6 -67.4 -48.9 72.1 34.5 87.4 690 142 D Y H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.953 117.7 36.7 -54.3 -57.3 75.2 36.6 87.9 691 143 D H H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.903 117.4 49.2 -69.1 -38.3 77.5 34.6 85.7 692 144 D S H X S+ 0 0 31 -4,-2.3 4,-1.7 -5,-0.4 -1,-0.2 0.911 114.4 46.5 -74.0 -31.3 75.1 33.8 83.0 693 145 D X H X S+ 0 0 17 -4,-2.6 4,-2.7 -5,-0.3 6,-0.3 0.896 112.8 50.2 -70.2 -38.0 74.0 37.4 82.8 694 146 D R H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.906 111.7 47.4 -65.6 -41.6 77.6 38.6 82.8 695 147 D D H < S+ 0 0 24 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.871 113.7 49.0 -67.3 -34.9 78.6 36.1 80.0 696 148 D L H < S+ 0 0 58 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.970 124.2 28.0 -68.9 -49.1 75.5 37.1 77.9 697 149 D R H < S- 0 0 5 -4,-2.7 -486,-0.3 -5,-0.1 -2,-0.2 0.709 99.9-125.8 -89.1 -22.4 76.1 40.9 78.2 698 150 D G S < S+ 0 0 0 -4,-2.6 -128,-1.8 -5,-0.3 2,-0.3 0.096 90.3 34.6 95.9 -23.8 79.9 40.9 78.6 699 151 D A + 0 0 4 -6,-0.3 2,-0.3 -130,-0.2 -488,-0.0 -0.907 63.9 171.4-163.0 136.6 79.8 43.0 81.9 700 152 D F - 0 0 0 -2,-0.3 -37,-0.2 -3,-0.0 -6,-0.1 -0.870 68.2 -24.6-160.3 112.3 77.2 42.9 84.7 701 153 D V + 0 0 0 -39,-2.5 -38,-0.2 -2,-0.3 6,-0.1 0.939 66.7 163.5 41.4 65.7 77.4 44.6 88.1 702 154 D E + 0 0 56 4,-0.0 -1,-0.1 5,-0.0 -39,-0.1 0.699 44.3 105.4 -76.3 -23.8 81.2 44.8 88.2 703 155 D N > - 0 0 11 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.453 63.0-157.6 -58.6 108.0 80.8 47.3 91.0 704 156 D P H > S+ 0 0 51 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.845 90.3 55.5 -64.0 -30.5 81.8 45.2 94.0 705 157 D S H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 107.3 49.7 -68.6 -40.9 79.8 47.5 96.4 706 158 D F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.953 111.6 48.7 -58.2 -49.3 76.7 47.0 94.3 707 159 D K H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 109.0 53.2 -56.4 -48.3 77.2 43.2 94.4 708 160 D R H X S+ 0 0 91 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.927 109.1 49.2 -51.6 -46.7 77.8 43.3 98.2 709 161 D Q H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.915 110.1 50.2 -65.7 -39.0 74.5 45.2 98.7 710 162 D I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.877 110.1 51.8 -63.3 -38.2 72.6 42.7 96.5 711 163 D I H X>S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-2.4 0.949 109.8 47.3 -64.3 -49.9 74.0 39.8 98.5 712 164 D E H <>S+ 0 0 72 -4,-2.5 5,-1.6 1,-0.2 -2,-0.2 0.927 119.4 40.4 -58.7 -45.7 73.0 41.3 101.9 713 165 D K H <5S+ 0 0 68 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.910 129.1 23.0 -70.7 -43.7 69.5 42.0 100.7 714 166 D Y H <5S+ 0 0 16 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.647 132.1 21.7-107.6 -16.2 68.7 38.9 98.7 715 167 D V T <5S+ 0 0 0 -4,-2.4 3,-0.2 -5,-0.4 -3,-0.2 0.761 119.5 42.2-115.5 -58.5 70.9 36.1 99.8 716 168 D I T