==== 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-OCT-07 2RL3 . COMPND 2 MOLECULE: BETA-LACTAMASE PSE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.VERCHEVAL,F.KERFF,R.HERMAN,E.SAUVAGE,R.GUIET,P.CHARLIER,J. . 494 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 1.2 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 . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 3 2 0 0 0 6 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 3 1 0 0 2 0 2 0 2 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 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 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 19 A M 0 0 61 0, 0.0 30,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-105.5 3.8 48.0 48.5 2 20 A G - 0 0 53 28,-1.9 2,-0.3 1,-0.4 30,-0.2 0.807 360.0 -31.6 -81.4 -93.9 3.0 51.5 47.1 3 21 A S E -a 32 0A 61 28,-1.6 30,-2.4 27,-0.3 2,-0.4 -0.901 52.8-150.4-126.6 149.8 5.9 52.5 44.8 4 22 A I E -a 33 0A 46 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.997 13.7-164.1-124.2 129.8 9.6 51.6 45.0 5 23 A T E -a 34 0A 81 28,-2.3 30,-2.3 -2,-0.4 2,-0.3 -0.922 19.9-121.5-119.6 134.8 12.2 54.1 43.7 6 24 A E E -a 35 0A 110 -2,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.540 20.6-166.6 -72.8 131.8 15.8 53.4 42.8 7 25 A N > - 0 0 44 28,-3.7 3,-1.3 -2,-0.3 4,-0.3 -0.901 4.9-175.5-121.8 97.5 18.3 55.5 44.7 8 26 A T G > S+ 0 0 82 -2,-0.5 3,-0.7 1,-0.2 4,-0.4 0.590 72.2 78.1 -69.1 -12.1 21.7 55.1 43.0 9 27 A S G 3 S+ 0 0 58 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.647 88.5 59.8 -74.8 -11.3 23.6 57.2 45.6 10 28 A W G X> S+ 0 0 5 -3,-1.3 3,-1.6 1,-0.2 4,-0.6 0.701 80.8 84.6 -85.7 -21.5 23.5 54.2 48.0 11 29 A N H X> S+ 0 0 56 -3,-0.7 4,-2.7 -4,-0.3 3,-1.1 0.809 77.3 68.1 -48.0 -37.9 25.5 51.9 45.6 12 30 A K H 3> S+ 0 0 129 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.802 93.7 57.0 -58.4 -31.6 28.8 53.3 46.8 13 31 A E H <4 S+ 0 0 53 -3,-1.6 -1,-0.3 2,-0.2 4,-0.2 0.814 113.1 41.2 -68.9 -29.7 28.4 51.7 50.2 14 32 A F H XX>S+ 0 0 9 -3,-1.1 5,-2.1 -4,-0.6 3,-1.5 0.923 115.8 46.8 -79.5 -51.9 28.0 48.2 48.5 15 33 A S H ><5S+ 0 0 93 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.883 103.8 63.1 -63.4 -35.4 30.7 48.5 45.9 16 34 A A T 3<5S+ 0 0 76 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.753 115.4 33.2 -56.9 -24.0 33.2 49.9 48.5 17 35 A E T <45S- 0 0 77 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.391 108.9-118.6-112.4 1.4 32.8 46.4 50.2 18 36 A A T <<5 + 0 0 90 -3,-1.1 2,-0.4 -4,-0.6 -3,-0.2 0.890 61.9 156.9 56.4 45.3 32.3 44.2 47.1 19 37 A V < - 0 0 15 -5,-2.1 2,-0.7 -6,-0.1 -1,-0.2 -0.868 40.1-152.6-108.3 129.0 28.8 43.3 48.5 20 38 A N + 0 0 114 -2,-0.4 202,-2.8 202,-0.3 2,-0.3 -0.904 53.2 102.1 -94.0 116.3 25.8 42.0 46.5 21 39 A G E -B 221 0A 6 -2,-0.7 2,-0.3 200,-0.3 200,-0.3 -0.959 56.4-109.7-174.4-173.4 22.8 43.1 48.4 22 40 A V E -B 220 0A 0 198,-2.8 198,-2.4 -2,-0.3 2,-0.4 -0.998 7.8-161.0-145.1 143.2 19.8 45.4 48.9 23 41 A F E -B 219 0A 0 -2,-0.3 13,-0.9 196,-0.2 2,-0.4 -0.993 8.7-171.6-121.9 129.4 18.6 48.2 51.2 24 42 A V E +BC 218 35A 0 194,-2.3 194,-2.3 -2,-0.4 2,-0.4 -0.996 9.0 177.6-120.5 126.3 14.9 49.2 51.3 25 43 A L E -BC 217 34A 13 9,-2.2 9,-3.0 -2,-0.4 2,-0.4 -0.999 6.3-173.0-133.4 133.3 14.1 52.3 53.3 26 44 A a E -BC 216 33A 0 190,-2.5 190,-2.8 -2,-0.4 2,-0.4 -0.979 13.4-147.2-134.9 119.1 10.6 53.8 53.7 27 45 A K E S-B 215 0A 114 5,-0.5 2,-2.3 -2,-0.4 5,-0.3 -0.717 77.7 -16.5 -84.2 135.5 9.9 57.1 55.4 28 46 A S S S- 0 0 60 186,-3.3 2,-0.3 -2,-0.4 -1,-0.1 -0.219 132.1 -7.1 69.9 -48.2 6.5 57.4 57.3 29 47 A S S > S- 0 0 18 -2,-2.3 3,-0.9 3,-0.3 -2,-0.1 -0.974 74.7 -95.0-165.2 165.4 4.9 54.4 55.5 30 48 A S T 3 S+ 0 0 16 -2,-0.3 -28,-1.9 1,-0.2 -27,-0.3 0.425 92.2 103.2 -71.0 2.2 5.4 51.7 52.8 31 49 A K T 3 S+ 0 0 154 1,-0.3 -28,-1.6 -29,-0.2 2,-0.3 0.861 98.7 11.9 -57.0 -38.3 3.4 53.9 50.4 32 50 A S E < S+a 3 0A 74 -3,-0.9 -5,-0.5 -5,-0.3 2,-0.3 -0.926 76.5 178.5-140.9 132.2 6.8 54.8 48.9 33 51 A a E -aC 4 26A 4 -30,-2.4 -28,-2.3 -2,-0.3 2,-0.3 -0.771 17.2-139.7-116.3 159.5 10.1 53.2 49.5 34 52 A A E +aC 5 25A 26 -9,-3.0 -9,-2.2 -2,-0.3 2,-0.3 -0.890 24.3 169.7-118.3 151.9 13.6 53.8 48.2 35 53 A T E -aC 6 24A 0 -30,-2.3 -28,-3.7 -2,-0.3 3,-0.2 -0.989 41.9-131.8-152.9 160.0 16.2 51.2 47.3 36 54 A N S S+ 0 0 13 -13,-0.9 2,-0.3 -2,-0.3 -30,-0.1 0.678 102.7 31.7 -81.7 -20.1 19.6 50.6 45.6 37 55 A D > - 0 0 62 -14,-0.3 4,-2.2 1,-0.1 -1,-0.3 -0.878 59.9-167.6-147.9 107.5 18.2 47.7 43.5 38 56 A L H > S+ 0 0 85 -2,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.898 92.8 47.1 -61.4 -45.9 14.6 47.4 42.3 39 57 A A H >4 S+ 0 0 81 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.979 115.2 45.1 -62.5 -53.0 14.9 43.7 41.3 40 58 A R H >4 S+ 0 0 22 1,-0.2 3,-1.1 2,-0.2 105,-0.4 0.805 98.7 70.8 -63.7 -30.9 16.6 42.7 44.5 41 59 A A H 3< S+ 0 0 0 -4,-2.2 105,-2.3 1,-0.3 104,-0.5 0.822 109.8 34.2 -52.4 -35.9 14.2 44.6 46.8 42 60 A S T << S+ 0 0 63 -3,-1.2 -1,-0.3 -4,-0.8 2,-0.2 0.327 89.7 115.9-105.0 1.7 11.4 42.1 45.9 43 61 A K < - 0 0 125 -3,-1.1 102,-0.5 -4,-0.5 2,-0.4 -0.569 64.4-129.9 -68.8 136.6 13.6 39.0 45.6 44 62 A E E +G 144 0B 89 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.803 30.5 174.3 -99.3 132.6 12.6 36.5 48.3 45 63 A Y E -G 143 0B 25 98,-2.8 98,-2.9 -2,-0.4 0, 0.0 -0.872 45.2 -77.0-131.2 160.4 15.3 34.8 50.7 46 64 A L - 0 0 29 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.332 39.1-147.2 -50.5 128.4 15.3 32.5 53.6 47 65 A P > + 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.775 28.2 177.2 -73.9 -22.9 14.4 34.8 56.5 48 66 A A G > - 0 0 0 88,-2.0 3,-2.6 1,-0.2 4,-0.2 -0.225 69.7 -6.0 44.7-135.6 16.6 32.8 59.1 49 67 A S G > S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.588 121.6 77.5 -69.1 -7.1 16.5 34.5 62.5 50 68 A T G X S+ 0 0 0 -3,-1.8 3,-1.7 1,-0.2 -1,-0.3 0.778 81.5 73.2 -62.6 -20.5 14.4 37.4 61.3 51 69 A F G <> S+ 0 0 1 -3,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.675 74.1 81.7 -64.1 -15.4 11.7 34.8 61.5 52 70 A K H <> S+ 0 0 1 -3,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.771 81.9 65.1 -62.6 -23.7 11.9 35.2 65.3 53 71 A I H <> S+ 0 0 1 -3,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.993 110.2 31.8 -63.9 -61.6 9.7 38.3 65.0 54 72 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.873 118.3 58.0 -62.1 -37.8 6.6 36.5 63.7 55 73 A N H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.915 106.7 47.6 -58.2 -41.7 7.5 33.4 65.8 56 74 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.941 113.9 46.9 -65.6 -46.2 7.5 35.6 69.0 57 75 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.927 114.8 45.8 -59.3 -47.0 4.1 37.1 68.1 58 76 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 6,-0.3 0.899 110.2 54.5 -64.6 -42.4 2.6 33.7 67.2 59 77 A G H <>S+ 0 0 0 -4,-2.8 6,-2.6 -5,-0.2 5,-1.0 0.897 113.3 43.1 -54.7 -43.7 4.0 32.1 70.4 60 78 A L H ><5S+ 0 0 9 -4,-2.1 3,-1.3 4,-0.2 -2,-0.2 0.926 113.0 51.6 -70.3 -45.7 2.3 34.9 72.4 61 79 A E H 3<5S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.847 112.0 45.3 -61.6 -37.1 -1.0 34.7 70.5 62 80 A T T 3<5S- 0 0 27 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.443 112.9-116.9 -84.8 -3.9 -1.4 31.0 70.9 63 81 A G T < 5S+ 0 0 40 -3,-1.3 -3,-0.2 2,-0.3 -2,-0.1 0.506 84.0 121.2 73.9 6.2 -0.4 31.1 74.6 64 82 A V S S- 0 0 66 102,-0.0 3,-1.6 -4,-0.0 -1,-0.1 -0.936 70.7 -69.0-168.2-174.3 3.4 36.5 78.9 68 86 A E T 3 S+ 0 0 21 1,-0.3 22,-0.5 -2,-0.3 23,-0.2 0.678 123.7 51.8 -65.3 -26.4 6.1 39.2 78.5 69 87 A H T 3 S+ 0 0 53 20,-0.1 -1,-0.3 21,-0.1 2,-0.1 0.187 74.7 134.5-102.7 15.7 8.0 38.0 81.6 70 88 A Q < - 0 0 42 -3,-1.6 20,-0.5 1,-0.0 2,-0.5 -0.453 45.5-146.5 -63.9 136.6 8.3 34.4 80.7 71 89 A V E -H 89 0C 47 18,-0.2 2,-0.9 -2,-0.1 18,-0.2 -0.932 4.2-143.6-104.6 129.4 11.8 33.0 81.3 72 90 A F E -H 88 0C 21 16,-3.8 16,-2.1 -2,-0.5 2,-0.2 -0.845 25.3-145.2 -97.6 105.8 13.0 30.3 78.9 73 91 A K - 0 0 161 -2,-0.9 2,-0.4 14,-0.2 14,-0.1 -0.486 6.8-126.3 -79.6 136.7 15.0 28.0 81.2 74 92 A W - 0 0 83 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.707 9.5-151.3 -80.1 135.6 18.1 26.2 80.0 75 93 A D - 0 0 104 -2,-0.4 -1,-0.1 2,-0.2 10,-0.0 0.410 42.2-110.1 -88.3 2.2 18.0 22.5 80.6 76 94 A G S S+ 0 0 46 1,-0.3 3,-0.1 10,-0.0 -2,-0.1 0.404 78.2 128.7 85.7 -2.2 21.8 22.2 80.9 77 95 A K S S- 0 0 127 1,-0.1 -1,-0.3 0, 0.0 -2,-0.2 -0.611 70.9 -83.7 -88.5 146.6 22.0 20.3 77.6 78 96 A P - 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.169 44.9-168.5 -49.7 132.6 24.5 21.4 74.8 79 97 A R - 0 0 43 -3,-0.1 6,-0.1 2,-0.1 5,-0.1 -0.904 35.4-106.5-124.1 158.4 23.2 24.2 72.5 80 98 A A S S+ 0 0 95 -2,-0.3 2,-0.4 4,-0.1 3,-0.0 0.722 104.6 35.6 -69.0 -23.8 25.0 25.2 69.3 81 99 A M S > S- 0 0 87 1,-0.1 3,-1.8 0, 0.0 4,-0.3 -0.980 76.1-133.2-124.8 142.2 26.3 28.5 70.7 82 100 A K G > S+ 0 0 174 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.814 104.6 65.9 -58.9 -32.2 27.6 29.1 74.3 83 101 A Q G 3 S+ 0 0 81 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.591 97.6 55.0 -70.4 -10.5 25.5 32.4 74.5 84 102 A W G < S+ 0 0 22 -3,-1.8 2,-1.9 1,-0.1 -1,-0.3 0.531 82.4 94.6 -93.7 -9.1 22.3 30.3 74.2 85 103 A E S < S+ 0 0 51 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.1 -0.463 76.4 63.6 -87.0 66.9 23.4 28.1 77.3 86 104 A R S S- 0 0 70 -2,-1.9 2,-0.1 -14,-0.1 -11,-0.1 -0.956 95.2 -75.6-173.4 163.2 21.5 30.1 79.9 87 105 A D - 0 0 65 -2,-0.3 2,-0.4 -13,-0.1 -14,-0.2 -0.484 55.0-166.9 -68.6 144.8 18.0 31.1 81.0 88 106 A L E -H 72 0C 3 -16,-2.1 -16,-3.8 -2,-0.1 2,-0.1 -0.995 20.1-138.3-139.5 143.3 16.7 33.9 78.7 89 107 A T E > -H 71 0C 37 -2,-0.4 4,-3.0 -18,-0.2 5,-0.2 -0.296 45.3 -95.4 -80.4 176.2 13.8 36.3 78.7 90 108 A L H > S+ 0 0 4 -20,-0.5 4,-1.9 -22,-0.5 5,-0.1 0.923 129.8 45.5 -61.3 -46.7 11.9 36.9 75.5 91 109 A R H > S+ 0 0 28 -23,-0.2 4,-3.1 2,-0.2 5,-0.2 0.919 113.1 51.4 -61.3 -42.2 14.1 39.9 74.7 92 110 A G H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.940 110.2 47.1 -60.2 -53.5 17.2 37.9 75.6 93 111 A A H <>S+ 0 0 0 -4,-3.0 5,-3.1 1,-0.2 4,-0.3 0.841 115.6 46.8 -57.3 -39.2 16.3 35.0 73.4 94 112 A I H ><5S+ 0 0 0 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.950 112.3 49.0 -63.8 -51.5 15.6 37.5 70.5 95 113 A Q H 3<5S+ 0 0 44 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.797 119.5 36.9 -62.9 -36.6 18.8 39.5 71.0 96 114 A V T 3<5S- 0 0 14 -4,-2.2 -1,-0.3 -5,-0.2 3,-0.2 0.405 109.0-126.0 -91.6 -2.5 21.1 36.4 71.1 97 115 A S T < 5 - 0 0 20 -3,-0.8 2,-2.1 -4,-0.3 -3,-0.2 0.942 27.6-159.9 58.0 55.0 19.0 34.7 68.4 98 116 A A >>< - 0 0 0 -5,-3.1 4,-1.7 1,-0.2 3,-1.1 -0.416 10.5-174.3 -77.1 84.4 18.4 31.6 70.6 99 117 A V H 3> S+ 0 0 21 -2,-2.1 4,-3.0 1,-0.3 3,-0.3 0.873 78.5 52.5 -41.9 -56.6 17.4 29.1 67.9 100 118 A P H 3> S+ 0 0 28 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.820 106.3 53.8 -63.6 -26.7 16.6 26.2 70.2 101 119 A V H <> S+ 0 0 8 -3,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.943 114.5 41.8 -61.7 -48.1 14.2 28.4 72.3 102 120 A F H X S+ 0 0 1 -4,-1.7 4,-2.8 -3,-0.3 -1,-0.2 0.830 108.7 59.4 -72.9 -32.2 12.3 29.4 69.2 103 121 A Q H X S+ 0 0 40 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.908 107.0 46.5 -58.2 -44.8 12.4 25.9 67.8 104 122 A Q H X S+ 0 0 87 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.893 112.1 51.7 -66.7 -39.5 10.6 24.5 70.9 105 123 A I H X S+ 0 0 6 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.949 109.7 49.4 -56.9 -47.7 8.1 27.4 70.5 106 124 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.866 109.0 52.8 -60.9 -42.5 7.5 26.5 66.9 107 125 A R H < S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.897 112.2 44.7 -61.2 -43.3 6.9 22.8 67.7 108 126 A E H < S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.828 109.4 54.4 -71.7 -37.1 4.3 23.7 70.3 109 127 A V H < S- 0 0 4 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.949 103.5-158.6 -55.6 -50.7 2.6 26.2 68.0 110 128 A G X - 0 0 20 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.107 27.8 -75.9 87.5 165.0 2.5 23.2 65.5 111 129 A E H > S+ 0 0 124 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.875 123.6 53.2 -66.7 -42.7 2.1 23.3 61.7 112 130 A V H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.959 115.4 39.2 -57.8 -53.6 -1.6 24.2 61.4 113 131 A R H > S+ 0 0 91 -4,-0.5 4,-2.7 1,-0.2 5,-0.3 0.916 114.9 54.6 -65.5 -41.9 -1.5 27.3 63.6 114 132 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.932 110.4 45.0 -55.2 -50.3 1.9 28.3 62.1 115 133 A Q H X S+ 0 0 74 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.898 111.1 54.8 -58.4 -47.7 0.5 28.2 58.6 116 134 A K H X S+ 0 0 98 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.914 111.6 43.2 -52.5 -51.7 -2.6 30.1 59.7 117 135 A Y H X S+ 0 0 22 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.867 110.3 54.4 -68.1 -40.2 -0.7 33.0 61.2 118 136 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.3 4,-0.5 0.881 111.2 47.9 -61.6 -33.9 1.9 33.2 58.3 119 137 A K H ><5S+ 0 0 141 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.938 111.6 49.4 -65.9 -48.0 -1.2 33.6 56.0 120 138 A K H 3<5S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.845 115.6 43.6 -58.0 -40.9 -2.7 36.2 58.3 121 139 A F T 3<5S- 0 0 10 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.471 102.4-131.4 -80.9 -7.3 0.6 38.1 58.4 122 140 A S T < 5 - 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0 0 54 -14,-0.3 4,-2.3 1,-0.1 -1,-0.3 -0.742 59.9-173.0-156.6 94.9 21.2 56.1 103.6 285 56 B L H > S+ 0 0 69 -2,-0.2 4,-0.7 -3,-0.2 -1,-0.1 0.846 89.5 51.9 -59.1 -42.2 18.1 54.6 105.1 286 57 B A H >> S+ 0 0 64 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.954 113.1 42.5 -60.2 -54.7 16.8 57.8 106.5 287 58 B R H >4 S+ 0 0 15 1,-0.2 3,-1.0 2,-0.2 105,-0.4 0.843 104.6 65.7 -64.2 -31.0 17.1 59.8 103.3 288 59 B A H 3< S+ 0 0 0 -4,-2.3 105,-2.1 1,-0.3 104,-0.5 0.775 107.2 43.2 -60.3 -24.0 15.6 56.8 101.3 289 60 B S H << S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.508 90.5 108.2 -99.0 -9.9 12.4 57.4 103.2 290 61 B K << - 0 0 116 -3,-1.0 2,-0.5 -4,-0.6 102,-0.5 -0.464 67.6-130.7 -73.7 141.6 12.4 61.2 102.9 291 62 B E + 0 0 109 100,-0.2 2,-0.3 -2,-0.2 100,-0.3 -0.817 29.7 175.1-103.0 127.0 9.8 62.6 100.6 292 63 B Y B -P 390 0F 41 98,-2.7 98,-2.8 -2,-0.5 3,-0.0 -0.853 44.2 -80.2-121.7 161.8 10.7 65.2 97.9 293 64 B L - 0 0 32 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.371 36.8-143.1 -52.4 131.3 9.0 66.9 95.0 294 65 B P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.807 30.8 179.5 -71.7 -22.7 8.9 64.3 92.2 295 66 B A G > S- 0 0 0 88,-2.0 3,-2.0 1,-0.3 4,-0.1 -0.326 70.3 -9.0 49.7-136.5 9.4 67.1 89.6 296 67 B S G > S+ 0 0 10 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.612 122.4 78.7 -67.7 -11.0 9.6 65.5 86.1 297 68 B T G X S+ 0 0 1 -3,-1.9 3,-1.4 1,-0.3 -1,-0.3 0.744 82.4 72.3 -62.0 -18.4 9.6 61.9 87.5 298 69 B F G <> S+ 0 0 1 -3,-2.0 4,-2.5 1,-0.3 -1,-0.3 0.684 74.5 80.9 -66.4 -16.9 5.9 62.7 87.8 299 70 B K H <> S+ 0 0 1 -3,-1.8 4,-2.9 2,-0.2 -1,-0.3 0.814 83.3 64.1 -62.0 -23.5 5.7 62.4 84.0 300 71 B I H <> S+ 0 0 1 -3,-1.4 4,-2.0 -4,-0.2 5,-0.2 0.995 110.4 31.4 -63.8 -67.1 5.6 58.6 84.6 301 72 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 119.5 58.0 -59.1 -32.4 2.2 58.4 86.5 302 73 B N H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.936 106.3 46.8 -61.4 -46.3 1.1 61.4 84.4 303 74 B A H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.929 114.2 48.0 -60.3 -45.9 1.6 59.6 81.1 304 75 B I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.922 114.0 46.3 -59.8 -46.5 -0.2 56.5 82.4 305 76 B I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 6,-0.3 0.919 110.1 53.2 -67.1 -42.9 -3.1 58.5 83.7 306 77 B G H <>S+ 0 0 0 -4,-3.0 6,-2.6 -5,-0.2 5,-1.1 0.890 113.2 44.7 -57.0 -42.7 -3.3 60.5 80.5 307 78 B L H ><5S+ 0 0 8 -4,-2.1 3,-1.3 4,-0.2 -2,-0.2 0.951 113.0 49.9 -64.3 -49.0 -3.5 57.3 78.6 308 79 B E H 3<5S+ 0 0 58 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.871 112.4 46.8 -60.8 -42.4 -6.0 55.6 80.9 309 80 B T T 3<5S- 0 0 26 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.528 112.5-118.3 -77.6 -8.0 -8.4 58.6 80.8 310 81 B G T < 5S+ 0 0 52 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.529 83.5 120.6 79.6 4.6 -8.1 58.8 77.1 311 82 B V S - 0 0 44 102,-0.0 3,-1.7 99,-0.0 -1,-0.2 -0.934 69.1 -74.0-166.0-176.5 -2.4 56.3 72.0 315 86 B E T 3 S+ 0 0 26 1,-0.3 22,-0.5 -2,-0.3 23,-0.3 0.623 124.6 57.4 -68.5 -15.1 1.4 55.8 71.9 316 87 B H T 3 S+ 0 0 57 20,-0.1 -1,-0.3 21,-0.1 -159,-0.0 0.291 74.8 136.0 -98.8 5.7 1.7 57.5 68.5 317 88 B Q < - 0 0 51 -3,-1.7 2,-0.5 1,-0.1 20,-0.5 -0.284 44.2-151.0 -53.1 129.2 0.1 60.7 69.7 318 89 B V - 0 0 46 18,-0.2 2,-0.8 19,-0.1 18,-0.2 -0.948 4.8-146.1-104.0 127.1 2.0 63.7 68.4 319 90 B F B -Q 335 0G 22 16,-3.5 16,-1.6 -2,-0.5 2,-0.2 -0.871 24.5-139.9 -92.7 107.2 1.8 66.7 70.7 320 91 B K - 0 0 140 -2,-0.8 2,-0.5 14,-0.2 14,-0.1 -0.478 7.8-123.5 -75.8 133.4 1.8 69.7 68.3 321 92 B W - 0 0 88 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.635 17.3-150.1 -68.1 121.6 3.7 72.9 69.0 322 93 B D - 0 0 115 -2,-0.5 -1,-0.1 2,-0.1 10,-0.0 0.561 39.5-110.1 -74.8 -7.8 1.1 75.6 68.8 323 94 B G S S+ 0 0 41 1,-0.3 -1,-0.1 10,-0.0 3,-0.1 0.077 78.1 126.3 102.9 -21.4 3.8 78.1 67.6 324 95 B K S S- 0 0 133 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.469 73.9 -89.8 -76.2 140.5 3.8 80.2 70.8 325 96 B P - 0 0 110 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.248 47.6-158.9 -54.6 120.7 7.1 80.8 72.6 326 97 B R - 0 0 49 2,-0.2 6,-0.1 -3,-0.1 4,-0.0 -0.449 29.5-104.7 -96.4 171.9 7.8 78.1 75.2 327 98 B A S S+ 0 0 89 -2,-0.1 2,-0.3 1,-0.1 3,-0.1 0.782 103.5 38.4 -70.2 -29.9 10.2 78.1 78.3 328 99 B M S > S- 0 0 70 1,-0.1 3,-0.8 0, 0.0 4,-0.5 -0.947 73.6-133.6-123.4 147.8 12.9 75.9 76.6 329 100 B K G > S+ 0 0 168 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.877 106.5 58.7 -59.5 -41.6 14.2 75.8 73.0 330 101 B Q G 3 S+ 0 0 76 1,-0.2 -1,-0.2 13,-0.1 15,-0.1 0.640 100.8 55.4 -67.4 -19.1 13.9 72.0 73.0 331 102 B W G < S+ 0 0 24 -3,-0.8 2,-2.1 1,-0.1 -1,-0.2 0.600 80.9 94.1 -86.9 -14.5 10.2 72.1 73.7 332 103 B E S < S+ 0 0 65 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.1 -0.431 78.2 64.4 -81.4 66.6 9.4 74.3 70.7 333 104 B R S S- 0 0 114 -2,-2.1 -11,-0.1 -14,-0.1 2,-0.1 -0.960 96.2 -73.6-172.4 160.3 8.6 71.5 68.3 334 105 B D - 0 0 63 -2,-0.3 2,-0.4 -14,-0.1 -14,-0.2 -0.419 55.2-162.6 -62.9 146.1 6.2 68.6 67.7 335 106 B L B -Q 319 0G 8 -16,-1.6 -16,-3.5 -2,-0.1 2,-0.1 -0.997 17.8-141.6-140.1 137.3 6.8 65.8 70.1 336 107 B T > - 0 0 38 -2,-0.4 4,-3.7 -18,-0.2 5,-0.2 -0.334 44.3 -97.2 -73.8 173.5 6.0 62.1 70.5 337 108 B L H > S+ 0 0 2 -22,-0.5 4,-2.7 -20,-0.5 5,-0.2 0.962 131.3 44.9 -56.2 -50.9 5.1 60.6 73.9 338 109 B R H > S+ 0 0 24 -23,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.923 114.7 50.1 -60.6 -41.2 8.8 59.4 74.3 339 110 B G H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.949 112.0 45.9 -58.6 -53.8 9.9 62.9 73.0 340 111 B A H <>S+ 0 0 0 -4,-3.7 5,-1.9 1,-0.2 -2,-0.2 0.852 113.9 50.5 -59.5 -37.2 7.7 64.8 75.5 341 112 B I H ><5S+ 0 0 3 -4,-2.7 3,-0.8 -5,-0.2 -1,-0.2 0.949 112.3 46.6 -63.8 -46.6 8.8 62.5 78.3 342 113 B Q H 3<5S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.805 114.5 41.3 -75.0 -35.1 12.5 63.0 77.5 343 114 B V T 3<5S- 0 0 29 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.3 0.401 106.1-129.7 -85.8 4.6 12.7 66.7 77.1 344 115 B S T < 5 - 0 0 16 -3,-0.8 2,-1.6 -5,-0.2 -3,-0.2 0.930 26.1-155.8 38.9 59.2 10.4 66.8 80.1 345 116 B A >>< - 0 0 0 -5,-1.9 4,-2.1 1,-0.2 3,-0.6 -0.473 10.7-167.4 -67.7 87.4 8.2 69.2 78.2 346 117 B V H 3> S+ 0 0 28 -2,-1.6 4,-2.5 -3,-0.3 5,-0.2 0.880 83.5 53.2 -38.4 -52.5 6.4 71.0 81.1 347 118 B P H 3> S+ 0 0 35 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.863 107.9 49.9 -62.8 -37.5 3.7 72.5 78.8 348 119 B V H <> S+ 0 0 7 -3,-0.6 4,-1.9 1,-0.2 -2,-0.2 0.958 117.3 39.4 -63.1 -50.3 2.7 69.2 77.2 349 120 B F H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.759 110.7 58.7 -73.9 -22.8 2.3 67.5 80.5 350 121 B Q H X S+ 0 0 26 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.919 108.4 46.6 -68.1 -42.9 0.7 70.5 82.1 351 122 B Q H X S+ 0 0 93 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.884 110.9 52.2 -65.0 -38.9 -2.0 70.4 79.4 352 123 B I H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.947 111.9 46.0 -59.0 -48.2 -2.4 66.6 80.0 353 124 B A H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.862 109.6 54.5 -67.3 -38.6 -2.8 67.2 83.7 354 125 B R H < S+ 0 0 129 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.914 111.1 45.7 -56.8 -44.3 -5.3 70.0 83.1 355 126 B E H < S+ 0 0 98 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.876 109.5 53.9 -72.6 -37.5 -7.4 67.8 80.9 356 127 B V H < S- 0 0 5 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.950 101.3-155.7 -56.3 -49.2 -7.2 64.9 83.4 357 128 B G X - 0 0 23 -4,-2.4 4,-2.4 3,-0.1 5,-0.2 0.109 27.1 -78.3 83.6 158.0 -8.5 67.3 86.2 358 129 B E H > S+ 0 0 123 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.884 123.1 53.5 -56.6 -50.4 -8.2 67.1 90.0 359 130 B V H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.957 116.0 37.4 -55.6 -56.5 -10.8 64.5 90.7 360 131 B R H > S+ 0 0 95 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.878 115.6 54.2 -66.0 -40.6 -9.4 61.9 88.3 361 132 B M H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.921 110.6 46.5 -57.3 -45.9 -5.8 62.8 89.0 362 133 B Q H X S+ 0 0 60 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.888 109.7 54.7 -64.5 -42.6 -6.4 62.2 92.8 363 134 B K H X S+ 0 0 90 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.947 112.8 42.1 -55.2 -53.1 -8.2 59.0 92.2 364 135 B Y H X S+ 0 0 25 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.892 112.2 52.7 -65.9 -40.5 -5.2 57.6 90.2 365 136 B L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.878 110.6 48.6 -63.1 -37.4 -2.6 58.8 92.5 366 137 B K H ><5S+ 0 0 125 -4,-2.3 3,-1.6 3,-0.2 -2,-0.2 0.943 112.5 48.1 -62.4 -47.2 -4.4 57.2 95.4 367 138 B K H 3<5S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.875 113.0 47.5 -63.1 -39.4 -4.7 53.9 93.4 368 139 B F T 3<5S- 0 0 8 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.442 104.5-132.6 -74.9 -4.2 -1.0 54.0 92.5 369 140 B S T < 5 + 0 0 75 -3,-1.6 2,-1.0 1,-0.2 -3,-0.2 0.932 43.2 177.2 41.3 53.6 -0.1 54.8 96.2 370 141 B Y > < - 0 0 0 -5,-2.5 3,-1.0 -6,-0.1 -1,-0.2 -0.768 41.5 -60.2 -97.3 100.5 2.0 57.5 94.7 371 142 B G T 3 S- 0 0 15 -2,-1.0 19,-0.2 1,-0.2 17,-0.1 -0.197 102.6 -30.3 72.0-154.9 3.7 59.7 97.3 372 143 B N T 3 S- 0 0 65 17,-2.4 -1,-0.2 2,-0.1 18,-0.1 0.553 80.4-135.7 -73.8 -4.7 1.9 61.7 99.9 373 144 B Q < + 0 0 43 -3,-1.0 2,-0.7 16,-0.3 -2,-0.1 0.597 53.8 145.9 56.1 20.2 -0.9 61.9 97.1 374 145 B N - 0 0 61 13,-0.2 -1,-0.2 15,-0.2 -2,-0.1 -0.768 26.1-179.0 -91.1 111.9 -1.4 65.7 97.8 375 146 B I + 0 0 21 -2,-0.7 3,-0.4 12,-0.1 2,-0.2 -0.153 31.4 132.0-104.3 37.6 -2.2 67.6 94.6 376 147 B S + 0 0 59 1,-0.2 11,-2.0 6,-0.1 12,-0.2 -0.628 43.1 57.8 -96.1 153.5 -2.5 71.2 95.8 377 148 B G S S- 0 0 59 -2,-0.2 -1,-0.2 9,-0.2 8,-0.1 0.493 120.9 -33.0 108.0 11.7 -0.8 74.3 94.3 378 149 B G >> - 0 0 32 -3,-0.4 4,-2.0 3,-0.1 3,-1.3 0.223 58.9-107.6 109.5 127.8 -2.4 74.0 90.8 379 150 B I T 34 S+ 0 0 26 1,-0.3 -22,-0.1 2,-0.2 -1,-0.1 0.582 123.4 39.6 -57.8 -10.8 -3.4 71.0 88.7 380 151 B D T 34 S+ 0 0 22 -27,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.511 122.1 37.1-116.0 -10.4 -0.4 71.8 86.5 381 152 B K T X>>S+ 0 0 78 -3,-1.3 4,-3.0 -6,-0.1 5,-0.6 0.450 82.3 97.7-122.8 -2.0 2.3 72.9 89.1 382 153 B F H 3X5S+ 0 0 0 -4,-2.0 6,-1.1 1,-0.2 4,-1.0 0.875 88.0 46.1 -58.6 -44.1 1.8 70.6 92.2 383 154 B H H 345S+ 0 0 5 2,-0.1 -88,-2.0 4,-0.1 -1,-0.2 0.757 123.8 34.1 -66.8 -27.2 4.6 68.1 91.2 384 155 B L H <45S- 0 0 36 -3,-0.5 -2,-0.2 -90,-0.1 -1,-0.1 0.839 143.8 -2.9 -99.6 -46.0 7.1 70.9 90.4 385 156 B E H <5S+ 0 0 141 -4,-3.0 -3,-0.2 -7,-0.1 -2,-0.1 0.066 118.6 74.4-139.6 22.3 6.4 73.8 92.9 386 157 B G S < - 0 0 12 -2,-0.3 4,-2.4 -100,-0.3 -102,-0.2 -0.491 26.9-114.8 -94.0 165.5 10.4 59.0 98.6 392 163 B A H > S+ 0 0 0 -104,-0.5 4,-2.1 -102,-0.5 -103,-0.2 0.871 119.7 52.8 -63.6 -37.8 13.1 56.9 96.8 393 164 B V H > S+ 0 0 31 -105,-2.1 4,-1.9 2,-0.2 5,-0.2 0.950 110.0 47.4 -64.9 -46.6 11.6 53.8 98.5 394 165 B N H > S+ 0 0 24 -106,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.895 108.1 56.8 -61.4 -39.7 8.1 54.8 97.1 395 166 B Q H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.947 108.7 45.0 -54.8 -50.3 9.6 55.5 93.7 396 167 B V H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.856 112.8 51.1 -66.0 -34.0 11.0 51.9 93.4 397 168 B E H X S+ 0 0 81 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.892 112.6 46.9 -65.0 -44.4 7.7 50.3 94.7 398 169 B F H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 113.1 48.1 -62.3 -45.6 5.8 52.3 92.1 399 170 B L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.857 108.9 53.9 -68.3 -36.3 8.2 51.3 89.3 400 171 B E H X S+ 0 0 32 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.914 108.5 48.7 -60.4 -45.2 8.0 47.7 90.3 401 172 B S H <>S+ 0 0 35 -4,-2.0 5,-2.6 2,-0.2 6,-0.7 0.877 112.1 50.3 -60.8 -41.3 4.2 47.7 90.1 402 173 B L H ><5S+ 0 0 0 -4,-2.2 3,-1.8 3,-0.2 -2,-0.2 0.948 109.2 50.9 -60.6 -48.1 4.6 49.4 86.7 403 174 B Y H 3<5S+ 0 0 30 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.913 113.3 44.9 -55.4 -41.6 7.1 46.7 85.5 404 175 B L T 3<5S- 0 0 60 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.335 111.7-118.6 -88.7 10.6 4.7 43.9 86.6 405 176 B N T < 5S+ 0 0 29 -3,-1.8 4,-0.2 -5,-0.1 -3,-0.2 0.745 75.3 132.5 56.7 25.8 1.6 45.6 85.0 406 177 B K < + 0 0 145 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.510 31.4 105.8 -87.7 -6.3 0.2 45.7 88.5 407 178 B L S S- 0 0 14 -6,-0.7 2,-2.4 1,-0.1 7,-0.1 -0.351 89.7 -98.5 -69.4 154.0 -1.0 49.4 88.5 408 179 B S S S+ 0 0 56 -44,-0.2 2,-0.3 -41,-0.1 -1,-0.1 -0.486 96.0 90.6 -73.4 73.5 -4.7 50.2 88.2 409 180 B A S S- 0 0 18 -2,-2.4 -104,-0.1 -4,-0.2 -105,-0.0 -0.936 89.7 -77.4-157.8 157.7 -4.4 50.8 84.5 410 181 B S > - 0 0 46 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.261 36.0-123.3 -58.9 149.5 -4.7 48.6 81.4 411 182 B K H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 113.7 57.2 -56.3 -44.0 -1.7 46.4 80.6 412 183 B E H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 106.6 47.3 -54.0 -47.5 -1.6 48.1 77.2 413 184 B N H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.850 112.2 48.8 -68.8 -33.0 -1.2 51.5 78.7 414 185 B Q H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.903 111.1 51.3 -70.2 -41.4 1.5 50.4 81.1 415 186 B L H X S+ 0 0 8 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.916 108.5 51.8 -56.4 -46.3 3.4 48.7 78.2 416 187 B I H X S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.926 112.7 44.2 -60.0 -43.8 3.2 51.9 76.2 417 188 B V H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.908 109.5 56.5 -70.2 -41.9 4.7 53.9 79.1 418 189 B K H < S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 3,-0.2 0.908 110.2 45.0 -57.9 -40.7 7.4 51.3 79.8 419 190 B E H >< S+ 0 0 25 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.891 108.2 56.7 -70.1 -37.6 8.6 51.5 76.2 420 191 B A H 3< S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.773 104.2 56.4 -60.5 -26.1 8.5 55.3 76.2 421 192 B L T 3< S+ 0 0 1 -4,-1.5 12,-2.5 -3,-0.2 -1,-0.2 0.493 74.4 122.4 -86.1 -7.0 10.8 55.2 79.2 422 193 B V E < +M 432 0E 0 -3,-1.4 10,-0.3 -4,-0.3 3,-0.1 -0.413 25.4 161.5 -57.9 127.0 13.6 53.1 77.4 423 194 B T E + 0 0 43 8,-3.0 2,-0.3 1,-0.3 9,-0.2 0.510 61.4 24.6-126.8 -13.9 16.9 55.2 77.6 424 195 B E E -M 431 0E 83 7,-1.6 7,-3.2 -247,-0.1 2,-0.4 -0.931 60.1-167.9-152.8 130.4 19.6 52.7 77.0 425 196 B A E +M 430 0E 19 -2,-0.3 -247,-0.2 -247,-0.3 5,-0.2 -0.979 13.7 162.7-118.1 132.2 19.7 49.3 75.1 426 197 B A - 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