==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-FEB-09 3GG4 . COMPND 2 MOLECULE: GLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR Z.ZHANG,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX RESEARCH . 1070 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 764 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 4 0.4 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 . 54 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 0 1 4 3 3 7 4 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 2 2 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 0 1 1 2 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 . 10 6 4 2 2 1 5 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 . 4 0 0 0 4 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 1 A L 0 0 202 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.6 18.8 7.4 29.3 2 2 A A - 0 0 45 1,-0.1 2,-0.3 19,-0.0 19,-0.0 -0.388 360.0-150.0 -71.0 134.5 18.8 10.7 31.1 3 3 A S - 0 0 39 -2,-0.1 19,-0.5 70,-0.1 2,-0.3 -0.797 11.3-167.6-103.0 145.3 17.3 10.9 34.6 4 4 A Y E -Ab 21 73A 42 68,-2.4 70,-2.5 -2,-0.3 71,-0.8 -0.880 6.0-152.2-129.6 160.7 15.6 13.9 36.1 5 5 A F E -Ab 20 75A 0 15,-2.6 15,-3.1 -2,-0.3 2,-0.5 -0.990 8.5-141.9-139.0 143.2 14.5 14.8 39.6 6 6 A I E -Ab 19 76A 1 69,-2.8 71,-2.1 -2,-0.4 2,-0.4 -0.901 8.7-168.1-113.6 130.1 11.8 17.1 40.9 7 7 A G E -Ab 18 77A 0 11,-2.3 11,-2.4 -2,-0.5 2,-0.4 -0.956 7.3-164.9-110.2 132.8 11.8 19.5 43.9 8 8 A V E -Ab 17 78A 0 69,-2.2 71,-2.5 -2,-0.4 2,-0.4 -0.972 5.7-175.7-117.7 133.1 8.5 21.0 45.1 9 9 A D E -Ab 16 79A 4 7,-2.4 7,-2.9 -2,-0.4 2,-0.8 -0.962 11.0-163.7-135.1 114.0 8.5 24.0 47.5 10 10 A V E +Ab 15 80A 0 69,-2.3 71,-1.4 -2,-0.4 5,-0.3 -0.862 22.4 177.5 -99.9 105.1 5.4 25.5 48.9 11 11 A G - 0 0 3 3,-2.7 70,-0.2 -2,-0.8 271,-0.0 0.108 46.3 -81.2 -87.6-157.6 6.3 28.9 50.3 12 12 A T S S+ 0 0 15 1,-0.1 3,-0.1 68,-0.1 22,-0.0 0.940 124.4 17.9 -73.0 -49.5 4.1 31.6 51.9 13 13 A G S S+ 0 0 44 1,-0.2 21,-2.7 20,-0.1 2,-0.3 0.666 127.6 20.2-100.8 -18.0 2.8 33.1 48.7 14 14 A S E - C 0 33A 13 19,-0.3 -3,-2.7 21,-0.0 2,-0.5 -0.999 59.1-127.2-156.7 149.2 3.4 30.5 46.1 15 15 A A E -AC 10 32A 0 17,-2.9 17,-2.3 -2,-0.3 2,-0.3 -0.881 32.9-168.2 -98.3 131.2 4.0 26.8 45.3 16 16 A R E -AC 9 31A 66 -7,-2.9 -7,-2.4 -2,-0.5 2,-0.3 -0.846 10.0-164.5-117.4 153.4 7.1 26.2 43.0 17 17 A A E -AC 8 30A 1 13,-2.1 13,-2.0 -2,-0.3 2,-0.4 -0.992 5.9-170.7-134.7 144.2 8.3 23.2 41.1 18 18 A G E -AC 7 29A 0 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.5 -1.000 13.3-149.6-137.6 136.9 11.7 22.6 39.6 19 19 A V E -AC 6 28A 0 9,-3.4 8,-2.7 -2,-0.4 9,-1.2 -0.923 23.3-172.5-105.9 126.4 13.1 19.9 37.4 20 20 A F E -AC 5 26A 0 -15,-3.1 -15,-2.6 -2,-0.5 6,-0.2 -0.923 17.7-138.9-122.9 142.5 16.8 19.1 37.8 21 21 A D E > -A 4 0A 33 4,-2.2 3,-2.1 -2,-0.4 -17,-0.2 -0.378 46.9 -88.3 -82.4 176.8 19.3 17.0 36.0 22 22 A L T 3 S+ 0 0 59 -19,-0.5 -18,-0.1 1,-0.3 -1,-0.1 0.563 127.7 59.2 -66.3 -10.8 21.8 14.8 37.8 23 23 A Q T 3 S- 0 0 88 2,-0.2 -1,-0.3 476,-0.1 3,-0.1 0.581 118.2-110.3 -90.2 -13.3 24.2 17.8 37.9 24 24 A G S < S+ 0 0 2 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.553 70.7 142.0 93.0 10.5 21.7 19.9 39.8 25 25 A R - 0 0 120 475,-0.1 -4,-2.2 1,-0.0 2,-0.5 -0.687 53.5-120.0 -85.1 139.9 21.1 22.2 36.9 26 26 A X E +C 20 0A 51 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.669 35.7 168.2 -85.6 123.0 17.5 23.4 36.5 27 27 A V E + 0 0 52 -8,-2.7 2,-0.3 -2,-0.5 -7,-0.2 0.566 69.0 19.5-110.1 -14.9 15.9 22.4 33.1 28 28 A G E +C 19 0A 0 -9,-1.2 -9,-3.4 38,-0.1 -1,-0.3 -0.977 63.8 169.1-155.0 143.0 12.3 23.3 33.9 29 29 A Q E +C 18 0A 75 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.994 2.7 173.1-153.2 155.2 10.5 25.4 36.5 30 30 A A E -C 17 0A 15 -13,-2.0 -13,-2.1 -2,-0.3 2,-0.3 -0.981 11.7-154.1-156.4 162.1 7.0 26.8 37.3 31 31 A S E -C 16 0A 28 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.989 3.6-170.0-141.4 149.8 5.1 28.7 40.0 32 32 A R E -C 15 0A 13 -17,-2.3 -17,-2.9 -2,-0.3 26,-0.1 -0.976 26.4-122.4-142.0 126.5 1.5 29.0 41.1 33 33 A E E -C 14 0A 79 -2,-0.4 2,-0.4 -19,-0.2 -19,-0.3 -0.293 23.1-146.0 -65.9 147.6 0.2 31.5 43.6 34 34 A I - 0 0 12 -21,-2.7 2,-0.1 20,-0.0 17,-0.1 -0.956 19.8-108.3-120.2 142.4 -1.6 30.3 46.7 35 35 A T - 0 0 67 -2,-0.4 12,-0.4 12,-0.1 2,-0.4 -0.361 29.1-161.6 -70.9 137.1 -4.5 31.9 48.4 36 36 A X - 0 0 62 10,-0.1 2,-0.4 -2,-0.1 10,-0.2 -0.956 0.7-158.8-118.4 140.1 -4.0 33.6 51.8 37 37 A F B -F 45 0B 40 8,-2.7 8,-2.8 -2,-0.4 -2,-0.0 -0.970 8.6-174.2-120.1 129.1 -6.8 34.5 54.3 38 38 A K + 0 0 147 -2,-0.4 6,-0.1 6,-0.2 3,-0.1 -0.731 6.8 174.0-124.1 84.5 -6.4 37.1 57.0 39 39 A P S S- 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.772 70.7 -28.9 -57.3 -33.1 -9.6 37.0 59.2 40 40 A K S > S- 0 0 122 3,-0.4 3,-2.4 0, 0.0 0, 0.0 -0.957 94.2 -45.3-175.8 165.5 -8.1 39.5 61.7 41 41 A A T 3 S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.100 124.8 15.9 -45.6 138.2 -4.8 40.8 63.1 42 42 A D T 3 S+ 0 0 50 1,-0.2 70,-2.3 68,-0.0 71,-0.7 0.352 102.8 109.8 79.7 -8.2 -2.5 37.9 64.0 43 43 A F < + 0 0 22 -3,-2.4 -3,-0.4 68,-0.2 2,-0.4 -0.904 37.9 168.7-106.5 123.8 -4.5 35.4 62.0 44 44 A V + 0 0 10 -2,-0.5 64,-2.1 64,-0.2 2,-0.3 -0.976 10.0 169.8-136.6 121.1 -3.1 34.0 58.8 45 45 A E E -FG 37 107B 0 -8,-2.8 -8,-2.7 -2,-0.4 2,-0.2 -0.856 13.2-177.1-133.5 163.2 -4.6 31.0 57.0 46 46 A Q E - G 0 106B 0 60,-1.9 60,-1.7 -2,-0.3 59,-0.6 -0.810 28.2-106.8-145.1-176.3 -4.5 29.0 53.8 47 47 A S > - 0 0 10 -12,-0.4 4,-2.2 -2,-0.2 5,-0.2 -0.980 9.1-154.6-128.4 121.5 -6.3 26.1 52.1 48 48 A S H > S+ 0 0 2 -2,-0.4 4,-3.1 2,-0.2 5,-0.2 0.912 99.5 49.2 -60.3 -45.8 -4.8 22.6 51.7 49 49 A E H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 112.4 48.9 -59.3 -45.8 -6.9 21.8 48.7 50 50 A N H > S+ 0 0 48 53,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.841 112.5 49.2 -61.0 -36.1 -5.9 25.1 47.1 51 51 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 109.0 51.2 -70.0 -46.4 -2.3 24.3 47.9 52 52 A W H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.871 110.4 48.7 -60.8 -38.9 -2.3 20.8 46.5 53 53 A Q H X S+ 0 0 81 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.909 109.8 51.8 -68.5 -39.7 -3.8 22.0 43.2 54 54 A A H X S+ 0 0 8 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.902 111.4 49.1 -61.1 -40.8 -1.2 24.8 42.9 55 55 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.957 112.6 45.5 -60.0 -53.1 1.4 22.1 43.5 56 56 A C H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.901 115.2 47.3 -61.2 -42.3 0.0 19.7 40.8 57 57 A N H X S+ 0 0 37 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.924 111.5 50.9 -64.9 -43.6 -0.4 22.5 38.3 58 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.890 111.6 48.1 -60.6 -41.2 3.1 23.9 38.9 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.933 109.1 50.5 -67.1 -49.0 4.6 20.4 38.4 60 60 A R H X S+ 0 0 109 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 113.9 48.8 -54.5 -40.5 2.8 19.6 35.2 61 61 A D H X S+ 0 0 34 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.913 110.0 48.2 -66.0 -47.3 4.0 23.0 34.0 62 62 A A H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.874 112.9 49.3 -65.2 -38.5 7.7 22.5 35.0 63 63 A V H X>S+ 0 0 8 -4,-2.5 4,-1.3 2,-0.2 5,-1.0 0.948 110.5 49.7 -63.6 -49.5 7.8 19.1 33.4 64 64 A N H <5S+ 0 0 131 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.831 111.5 49.9 -60.1 -32.3 6.2 20.4 30.1 65 65 A Q H <5S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 106.1 53.8 -76.9 -33.0 8.8 23.2 30.1 66 66 A A H <5S- 0 0 17 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.735 103.1-140.5 -68.5 -23.2 11.7 20.8 30.6 67 67 A D T <5 + 0 0 143 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.925 51.7 133.6 64.0 48.8 10.4 18.9 27.6 68 68 A I < - 0 0 20 -5,-1.0 -1,-0.2 2,-0.0 -2,-0.1 -0.887 62.5-100.5-125.6 157.4 11.0 15.4 28.9 69 69 A N > - 0 0 81 -2,-0.3 3,-3.1 1,-0.1 4,-0.4 -0.617 29.4-127.6 -73.5 132.9 9.1 12.2 29.2 70 70 A P G > S+ 0 0 37 0, 0.0 3,-1.4 0, 0.0 172,-0.4 0.769 109.2 70.2 -49.4 -27.6 7.6 11.6 32.6 71 71 A I G 3 S+ 0 0 54 1,-0.3 170,-0.0 808,-0.2 -2,-0.0 0.644 90.6 63.5 -65.3 -11.6 9.2 8.2 32.5 72 72 A Q G < S+ 0 0 28 -3,-3.1 -68,-2.4 -69,-0.1 2,-0.6 0.690 79.0 92.7 -86.0 -23.8 12.5 10.2 32.9 73 73 A V E < +b 4 0A 4 -3,-1.4 -68,-0.2 -4,-0.4 169,-0.2 -0.658 48.2 174.1 -79.1 115.1 11.6 11.6 36.3 74 74 A K E + 0 0 81 -70,-2.5 172,-1.0 -2,-0.6 2,-0.3 0.641 57.9 10.5 -98.2 -20.6 13.1 9.2 38.9 75 75 A G E -bd 5 246A 0 -71,-0.8 -69,-2.8 170,-0.2 2,-0.3 -0.998 51.8-158.7-160.5 153.8 12.4 11.0 42.1 76 76 A L E -bd 6 247A 0 170,-1.8 172,-2.2 -2,-0.3 2,-0.4 -0.971 4.2-164.3-131.0 151.0 10.6 13.8 43.9 77 77 A G E -b 7 0A 0 -71,-2.1 -69,-2.2 -2,-0.3 2,-0.4 -0.987 10.3-152.1-129.1 146.8 11.1 15.7 47.1 78 78 A F E +b 8 0A 0 -2,-0.4 173,-1.6 170,-0.2 2,-0.3 -0.963 15.4 173.7-120.4 131.0 8.5 17.9 48.8 79 79 A D E +be 9 251A 0 -71,-2.5 -69,-2.3 -2,-0.4 2,-0.3 -0.978 6.5 165.5-132.5 150.0 9.3 20.9 51.1 80 80 A A E -be 10 252A 0 171,-1.2 173,-2.9 -2,-0.3 174,-0.2 -0.955 42.0 -77.5-152.0 167.0 6.9 23.4 52.7 81 81 A T - 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0 0 4 -3,-1.4 -10,-0.6 -9,-0.1 2,-0.3 -0.229 51.4-164.3 -63.7 156.2 8.6 43.2 69.8 394 397 A T - 0 0 72 -12,-0.1 -14,-0.4 -11,-0.1 -13,-0.3 -0.863 20.3 -85.4-138.1 172.9 7.8 45.8 67.0 395 398 A G - 0 0 29 -2,-0.3 2,-0.4 -16,-0.2 -18,-0.0 -0.395 29.1-165.7 -83.2 155.8 9.7 48.0 64.6 396 399 A I E -V 378 0I 38 -18,-1.5 -18,-2.6 -2,-0.1 2,-0.4 -0.996 2.1-171.4-133.9 137.6 11.1 51.4 65.0 397 400 A I E -V 377 0I 37 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.2 -0.995 9.0-170.7-122.9 140.4 12.3 53.9 62.3 398 401 A T + 0 0 46 -22,-2.2 -22,-0.1 -2,-0.4 -24,-0.1 -0.808 58.0 48.0-121.8 166.9 14.2 57.1 63.1 399 402 A G S S+ 0 0 42 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.740 70.6 169.6 77.7 26.7 15.2 60.1 61.1 400 403 A L - 0 0 113 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.453 8.6-178.8 -73.9 144.8 11.8 60.6 59.5 401 404 A K - 0 0 174 2,-0.3 -1,-0.0 -2,-0.1 7,-0.0 -0.855 41.6-108.9-135.0 165.2 11.1 63.8 57.5 402 405 A L S S+ 0 0 176 -2,-0.3 -2,-0.0 2,-0.0 -1,-0.0 0.725 82.3 115.2 -67.6 -20.6 8.1 65.3 55.6 403 406 A S - 0 0 59 1,-0.1 2,-0.4 5,-0.0 -2,-0.3 -0.189 45.3-171.5 -57.4 136.4 9.9 64.6 52.3 404 407 A T + 0 0 79 -70,-0.0 -1,-0.1 4,-0.0 -2,-0.0 -0.776 34.9 129.6-128.7 85.2 8.3 62.1 49.9 405 408 A T S > S- 0 0 42 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.875 73.0-103.9-132.1 165.1 10.9 61.6 47.2 406 409 A P H > S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.838 123.1 58.0 -58.3 -31.0 12.5 58.6 45.4 407 410 A E H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.893 105.8 47.2 -64.6 -41.7 15.6 59.6 47.5 408 411 A D H > S+ 0 0 36 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.911 112.1 50.6 -62.5 -43.7 13.7 59.2 50.7 409 412 A X H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.908 111.0 49.1 -61.0 -42.2 12.3 55.9 49.5 410 413 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.881 109.2 51.3 -66.9 -40.2 15.8 54.7 48.6 411 414 A L H X S+ 0 0 25 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.903 111.1 47.5 -62.7 -41.9 17.3 55.7 52.0 412 415 A R H X S+ 0 0 75 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.860 110.3 53.1 -71.0 -34.7 14.6 53.8 53.9 413 416 A Y H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.949 111.4 46.1 -59.9 -50.9 15.2 50.8 51.7 414 417 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.922 109.9 53.6 -56.9 -46.4 18.9 50.9 52.5 415 418 A A H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -38,-0.3 0.868 108.5 51.7 -57.9 -37.4 18.2 51.3 56.2 416 419 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.937 108.5 49.5 -63.8 -48.7 16.0 48.2 56.0 417 420 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 113.5 46.2 -55.5 -46.9 18.7 46.2 54.3 418 421 A Q H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.902 109.1 54.4 -68.3 -40.6 21.3 47.2 56.9 419 422 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.913 110.1 47.4 -56.8 -45.2 18.9 46.5 59.9 420 423 A L H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.886 111.5 50.9 -62.7 -40.7 18.4 43.0 58.6 421 424 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.873 110.2 49.4 -62.8 -40.4 22.2 42.5 58.2 422 425 A L H X S+ 0 0 5 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.883 108.4 52.6 -69.7 -37.8 22.7 43.8 61.7 423 426 A G H X S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.874 109.2 51.1 -60.2 -36.3 20.1 41.3 63.0 424 427 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.899 106.9 53.1 -66.4 -41.3 22.0 38.6 61.1 425 428 A R H X S+ 0 0 37 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.888 106.3 53.5 -58.1 -41.2 25.2 39.8 62.9 426 429 A H H X S+ 0 0 25 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.936 110.9 46.6 -61.0 -47.0 23.5 39.4 66.3 427 430 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.933 113.7 47.4 -60.5 -48.8 22.5 35.9 65.4 428 431 A I H X S+ 0 0 7 -4,-2.7 4,-2.4 1,-0.2 10,-0.2 0.900 110.6 51.4 -61.5 -43.0 26.0 35.0 64.2 429 432 A E H X S+ 0 0 66 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.860 108.3 53.7 -60.7 -35.8 27.7 36.5 67.2 430 433 A T H < S+ 0 0 12 -4,-1.8 3,-0.5 -5,-0.2 4,-0.3 0.886 108.9 47.9 -67.3 -39.4 25.3 34.5 69.4 431 434 A X H ><>S+ 0 0 0 -4,-1.9 5,-1.6 1,-0.2 3,-1.6 0.918 108.5 53.8 -67.7 -40.6 26.4 31.3 67.7 432 435 A N H 3<5S+ 0 0 62 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.617 105.7 54.7 -69.0 -12.9 30.0 32.1 68.0 433 436 A Q T 3<5S+ 0 0 144 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.516 110.7 49.3 -90.1 -8.8 29.4 32.6 71.7 434 437 A N T < 5S- 0 0 55 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 -0.241 134.5 -56.3-131.7 45.3 28.0 29.0 71.8 435 438 A G T 5S+ 0 0 38 -3,-0.3 2,-0.2 1,-0.3 -3,-0.2 0.411 100.5 100.8 108.2 -2.2 30.3 26.6 70.1 436 439 A Y < - 0 0 3 -5,-1.6 -1,-0.3 -6,-0.1 -161,-0.1 -0.691 49.5-159.3-114.4 167.0 30.8 28.0 66.6 437 440 A N + 0 0 101 -163,-2.5 2,-0.2 -2,-0.2 -163,-0.1 -0.372 29.2 178.9-135.5 51.6 33.5 30.0 64.6 438 441 A I + 0 0 7 -10,-0.2 -162,-0.2 1,-0.2 -163,-0.2 -0.367 22.3 148.4 -62.8 125.5 31.3 31.3 61.8 439 442 A D + 0 0 61 -164,-2.1 25,-1.6 1,-0.2 2,-0.3 0.242 61.9 55.8-134.3 8.6 33.1 33.5 59.3 440 443 A T E -pt 276 464H 24 -165,-1.4 -163,-2.5 23,-0.2 2,-0.5 -1.000 59.7-155.0-146.8 140.6 31.1 32.6 56.2 441 444 A X E -pt 277 465H 0 23,-2.4 25,-3.1 -2,-0.3 2,-0.8 -0.971 8.0-152.8-116.5 126.7 27.5 32.6 55.1 442 445 A X E -pt 278 466H 4 -165,-3.3 -163,-3.3 -2,-0.5 2,-0.4 -0.900 31.3-163.7 -92.0 111.3 26.1 30.4 52.3 443 446 A A E +p 279 0H 2 23,-2.5 2,-0.3 -2,-0.8 -163,-0.2 -0.810 19.2 170.8-111.8 139.1 23.2 32.5 51.1 444 447 A S E +p 280 0H 6 -165,-2.4 -163,-1.7 -2,-0.4 3,-0.2 -0.834 32.7 71.6-131.9 170.1 20.1 31.6 49.0 445 448 A G S > S- 0 0 13 26,-1.1 3,-1.6 -2,-0.3 -163,-0.2 -0.288 90.8 -65.9 106.1 166.3 16.9 33.5 48.0 446 449 A G G > S+ 0 0 58 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.753 121.8 71.6 -64.6 -26.7 16.0 36.4 45.8 447 450 A G G > S+ 0 0 25 1,-0.3 3,-2.0 -3,-0.2 7,-0.4 0.803 84.8 69.7 -56.5 -29.5 17.9 38.9 47.9 448 451 A T G < S+ 0 0 3 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.567 90.2 60.6 -72.2 -5.9 21.1 37.3 46.6 449 452 A K G < S+ 0 0 126 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.413 87.9 84.7 -95.1 -0.9 20.4 38.8 43.2 450 453 A N <> - 0 0 13 -3,-2.0 4,-2.2 -4,-0.2 5,-0.2 -0.902 68.7-156.8-105.1 107.4 20.6 42.3 44.7 451 454 A P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.802 92.4 48.9 -57.8 -34.2 24.2 43.4 44.8 452 455 A I H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.925 108.0 53.8 -75.3 -42.2 23.6 45.9 47.6 453 456 A F H > S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.947 114.5 43.1 -48.4 -52.7 21.7 43.4 49.8 454 457 A V H X S+ 0 0 4 -4,-2.2 4,-1.9 -7,-0.4 -2,-0.2 0.916 113.9 47.2 -66.3 -49.5 24.7 41.0 49.5 455 458 A Q H X S+ 0 0 38 -4,-2.2 4,-2.3 1,-0.2 54,-0.2 0.860 112.3 48.7 -64.2 -38.0 27.6 43.4 50.0 456 459 A E H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.787 107.6 55.4 -76.7 -26.0 26.1 45.1 53.1 457 460 A H H X S+ 0 0 3 -4,-1.4 4,-1.9 -5,-0.3 6,-0.4 0.923 111.2 45.3 -65.6 -43.9 25.4 41.7 54.7 458 461 A A H X>S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 5,-0.5 0.920 116.3 47.1 -61.8 -44.9 29.1 40.9 54.2 459 462 A N H <5S+ 0 0 4 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.892 113.8 44.3 -64.8 -45.9 30.0 44.4 55.5 460 463 A A H <5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 123.2 36.9 -69.8 -35.8 27.8 44.5 58.6 461 464 A T H <5S- 0 0 22 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.696 96.6-132.4 -88.5 -24.1 28.6 40.9 59.7 462 465 A G T <5 + 0 0 48 -4,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.598 67.8 124.3 72.4 13.4 32.3 40.9 58.7 463 466 A C < - 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0 0 147 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.832 25.3-175.1 52.8 37.8 -37.5 33.2 12.2 666 126 B H > < - 0 0 14 -5,-0.5 3,-2.2 1,-0.1 4,-0.2 -0.332 34.4-117.3 -67.8 143.5 -35.8 36.6 12.0 667 127 B P G > S+ 0 0 79 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.734 110.8 65.6 -50.0 -32.9 -33.6 37.2 8.9 668 128 B V G > S+ 0 0 7 1,-0.3 3,-1.2 2,-0.2 6,-0.1 0.745 90.8 66.9 -67.1 -19.2 -30.4 37.6 11.0 669 129 B L G X >S+ 0 0 3 -3,-2.2 5,-3.0 1,-0.2 3,-1.4 0.576 79.0 80.0 -75.2 -9.6 -30.8 34.0 12.0 670 130 B E G X 5S+ 0 0 119 -3,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.700 84.2 62.7 -72.0 -13.0 -30.1 33.0 8.4 671 131 B F G < 5S+ 0 0 33 -3,-1.2 166,-2.7 1,-0.2 -1,-0.3 0.493 105.9 44.2 -87.2 -5.0 -26.4 33.5 9.2 672 132 B V G X 5S- 0 0 12 -3,-1.4 3,-1.6 164,-0.2 -1,-0.2 -0.203 129.7 -88.4-127.8 40.8 -26.5 30.7 11.8 673 133 B G T < 5S- 0 0 53 -3,-0.7 -3,-0.2 164,-0.4 -2,-0.1 0.669 72.6 -73.0 66.3 20.1 -28.5 28.2 9.7 674 134 B G T 3 - 0 0 25 1,-0.1 3,-1.6 -18,-0.0 -1,-0.1 -0.760 9.0-130.0 -98.1 145.7 -27.6 28.2 19.7 678 138 B P T 3 S+ 0 0 29 0, 0.0 -24,-0.3 0, 0.0 -1,-0.1 0.681 109.6 64.7 -64.9 -15.8 -28.1 28.6 23.5 679 139 B E T 3 S+ 0 0 61 -27,-0.1 -28,-0.1 -26,-0.1 -26,-0.0 0.690 84.9 93.9 -80.3 -19.6 -24.4 29.1 23.7 680 140 B X S <> S- 0 0 8 -3,-1.6 4,-1.0 1,-0.1 48,-0.1 -0.251 85.1-113.7 -75.3 165.3 -24.6 32.3 21.6 681 141 B Q H > S+ 0 0 1 46,-1.4 4,-2.7 1,-0.2 5,-0.2 0.876 102.1 58.2 -77.9 -40.9 -24.9 35.6 23.4 682 142 B T H > S+ 0 0 0 45,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.868 106.0 50.7 -63.7 -37.1 -28.3 37.0 22.6 683 143 B P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.909 112.6 48.3 -62.3 -36.8 -30.2 34.1 24.1 684 144 B K H X S+ 0 0 0 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.891 108.9 53.4 -69.2 -37.5 -28.0 34.5 27.2 685 145 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.913 109.2 48.6 -59.8 -44.4 -28.8 38.2 27.3 686 146 B L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.892 109.5 52.7 -64.6 -39.2 -32.5 37.5 27.2 687 147 B W H X S+ 0 0 25 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.944 110.4 48.5 -58.6 -47.0 -32.1 35.0 30.0 688 148 B L H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 8,-0.4 0.862 108.5 53.0 -63.0 -38.1 -30.3 37.6 32.0 689 149 B K H < S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 117.1 38.5 -63.5 -39.0 -33.0 40.2 31.4 690 150 B Q H < S+ 0 0 87 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.850 126.1 32.2 -82.0 -35.1 -35.7 37.8 32.6 691 151 B H H < S+ 0 0 101 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.674 122.8 38.5-103.7 -20.9 -34.0 36.1 35.5 692 152 B X X + 0 0 39 -4,-2.0 4,-3.0 -5,-0.3 -1,-0.2 -0.539 60.1 160.1-128.5 68.4 -31.6 38.7 37.0 693 153 B P H > S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.826 76.6 55.8 -60.5 -32.8 -33.6 42.0 36.8 694 154 B N H > S+ 0 0 132 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.939 112.2 42.2 -65.7 -45.9 -31.4 43.6 39.4 695 155 B T H >> S+ 0 0 7 2,-0.2 3,-0.6 1,-0.2 4,-0.5 0.932 113.5 53.1 -61.1 -48.0 -28.2 42.8 37.4 696 156 B W H >< S+ 0 0 20 -4,-3.0 3,-1.3 -8,-0.4 -2,-0.2 0.920 107.7 50.9 -55.0 -47.3 -29.9 43.9 34.1 697 157 B S H 3< S+ 0 0 83 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.782 113.6 45.8 -61.2 -28.3 -30.9 47.3 35.6 698 158 B N H << S+ 0 0 82 -4,-1.0 -69,-0.8 -3,-0.6 -1,-0.2 0.340 82.4 130.6-100.2 6.0 -27.3 47.8 36.8 699 159 B V E << +F 628 0L 1 -3,-1.3 -71,-0.3 -4,-0.5 3,-0.1 -0.395 19.6 163.0 -64.7 129.8 -25.5 46.8 33.5 700 160 B G E + 0 0 14 -73,-2.9 2,-0.4 1,-0.3 -72,-0.2 0.669 69.2 20.5-108.2 -37.5 -22.9 49.1 32.1 701 161 B H E -F 627 0L 18 -74,-1.9 -74,-2.3 57,-0.1 2,-0.5 -0.998 50.4-167.2-138.6 137.2 -21.0 46.8 29.7 702 162 B L E -F 626 0L 1 55,-2.8 2,-0.4 -2,-0.4 -76,-0.2 -0.945 27.9-178.6-118.9 104.8 -21.8 43.5 28.0 703 163 B F E -F 625 0L 0 -78,-2.8 -78,-3.5 -2,-0.5 2,-0.3 -0.871 33.1-133.1-110.8 134.8 -18.6 42.1 26.6 704 164 B D E >> -F 624 0L 0 -2,-0.4 4,-1.9 -80,-0.2 3,-0.7 -0.642 46.8-108.3 -67.9 142.3 -17.7 39.0 24.6 705 165 B L H 3> S+ 0 0 0 -82,-2.7 4,-2.0 -2,-0.3 5,-0.2 0.858 117.2 54.5 -49.1 -46.6 -14.7 37.8 26.6 706 166 B P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.907 110.8 46.7 -54.9 -45.1 -12.1 38.7 23.9 707 167 B D H <> S+ 0 0 2 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.808 106.7 57.5 -64.8 -34.6 -13.4 42.4 23.9 708 168 B F H X S+ 0 0 6 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.909 105.6 52.9 -60.3 -39.2 -13.4 42.5 27.7 709 169 B L H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.922 110.8 43.6 -63.6 -46.3 -9.7 41.7 27.5 710 170 B T H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 6,-0.4 0.897 115.7 50.0 -67.8 -36.5 -8.8 44.5 25.1 711 171 B W H X S+ 0 0 37 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.921 109.9 48.8 -65.4 -44.2 -11.0 46.9 27.1 712 172 B R H < S+ 0 0 23 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.787 115.7 47.6 -66.1 -24.7 -9.4 45.9 30.4 713 173 B A H < S+ 0 0 0 -4,-1.3 61,-2.6 -5,-0.2 -1,-0.2 0.782 131.1 13.0 -84.4 -29.9 -6.0 46.4 28.6 714 174 B T H < S- 0 0 10 -4,-1.8 57,-0.4 59,-0.2 -2,-0.2 0.483 87.3-122.0-129.0 -9.4 -6.7 49.8 27.0 715 175 B K S < S+ 0 0 157 -4,-3.0 2,-0.5 1,-0.2 -4,-0.2 0.402 71.4 132.9 70.9 -2.1 -9.9 51.4 28.5 716 176 B D - 0 0 34 -6,-0.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.695 46.9-159.8 -85.7 127.7 -11.2 51.4 24.9 717 177 B E + 0 0 84 -2,-0.5 44,-0.2 -3,-0.1 43,-0.1 0.470 45.0 130.2 -86.6 -3.3 -14.7 50.1 24.5 718 178 B T - 0 0 12 41,-0.1 44,-0.2 42,-0.1 2,-0.2 -0.221 47.9-141.4 -54.3 139.3 -14.5 49.3 20.7 719 179 B R E -h 762 0M 3 42,-2.9 44,-2.8 72,-0.1 2,-0.3 -0.606 13.4-108.7-100.0 163.3 -15.7 45.8 19.8 720 180 B S E > -h 763 0M 0 42,-0.2 4,-1.9 -2,-0.2 5,-0.2 -0.666 11.9-135.5 -91.4 144.4 -14.4 43.2 17.3 721 181 B L H > S+ 0 0 9 42,-1.8 4,-1.6 -2,-0.3 5,-0.4 0.722 105.3 61.2 -65.7 -21.4 -16.2 42.3 14.0 722 182 B C H > S+ 0 0 0 70,-0.3 4,-2.3 41,-0.3 5,-0.4 0.994 108.9 35.2 -69.0 -63.1 -15.4 38.7 14.9 723 183 B S H >>S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.937 122.7 46.9 -55.4 -49.5 -17.3 38.4 18.2 724 184 B T H X5S+ 0 0 2 -4,-1.9 6,-2.0 3,-0.2 4,-1.4 0.905 117.2 38.6 -65.3 -48.1 -20.1 40.7 17.1 725 185 B V H <5S+ 0 0 12 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.910 122.5 41.5 -68.9 -42.5 -20.8 39.2 13.7 726 186 B C H <5S+ 0 0 3 -4,-2.3 -2,-0.2 -5,-0.4 -3,-0.2 0.917 134.3 12.1 -74.9 -42.0 -20.3 35.5 14.7 727 187 B K H <5S+ 0 0 24 -4,-2.4 -46,-1.4 -5,-0.4 -45,-0.6 0.476 127.6 45.0-120.9 -6.4 -22.0 35.5 18.1 728 188 B W S <>> -I 736 0N 9 5,-2.6 4,-1.9 1,-0.2 3,-1.2 -0.745 24.9-173.7 -88.4 98.2 -24.3 42.7 10.3 732 192 B G T 345S+ 0 0 8 -2,-1.1 -1,-0.2 1,-0.3 107,-0.1 0.822 83.4 52.6 -60.3 -31.9 -20.7 43.0 9.2 733 193 B H T 345S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.547 119.4 33.4 -86.0 -9.3 -21.7 43.9 5.6 734 194 B E T <45S- 0 0 96 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.424 102.6-132.3-118.0 -8.7 -24.1 46.7 6.7 735 195 B D T <5 + 0 0 101 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.922 68.1 89.0 59.5 50.6 -21.9 47.7 9.7 736 196 B R B > - 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0 0 63 -2,-0.3 -32,-2.5 -230,-0.2 -31,-0.3 -0.985 40.1 -90.3-149.4 161.8 5.2 28.5 7.5 1037 505 B I E +P 1003 0P 46 -2,-0.3 3,-0.1 -34,-0.2 -230,-0.0 -0.517 30.4 179.2 -74.4 132.0 4.6 24.8 6.8 1038 506 B G E S+ 0 0 49 -36,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.727 72.4 11.2-100.0 -30.3 6.6 22.4 8.8 1039 507 B K E -P 1002 0P 119 -37,-1.7 -37,-3.3 2,-0.0 2,-0.5 -0.976 58.8-158.6-153.8 134.6 5.2 19.2 7.3 1040 508 B T E -P 1001 0P 78 -2,-0.3 2,-0.6 -39,-0.2 -39,-0.2 -0.967 8.5-166.2-115.4 123.1 3.1 18.4 4.3 1041 509 B V E -P 1000 0P 15 -41,-3.0 -41,-2.6 -2,-0.5 3,-0.1 -0.913 10.3-163.6-113.1 111.1 1.2 15.1 4.2 1042 510 B T - 0 0 84 -2,-0.6 -48,-0.2 -43,-0.2 -49,-0.1 -0.491 30.3 -95.4 -89.1 157.3 -0.2 14.1 0.8 1043 511 B P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 -0.358 47.8-134.5 -59.1 152.9 -2.8 11.5 0.0 1044 512 B Q - 0 0 84 1,-0.2 -143,-0.0 -54,-0.2 5,-0.0 0.387 47.3 -16.0 -92.1-134.1 -1.1 8.2 -0.9 1045 513 B T > - 0 0 80 1,-0.1 4,-2.1 -144,-0.0 -1,-0.2 -0.073 58.9-111.4 -71.7 167.5 -1.7 5.7 -3.7 1046 514 B N H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.814 117.6 57.5 -63.3 -34.2 -4.7 5.4 -6.0 1047 515 B K H > S+ 0 0 143 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.928 108.0 45.0 -62.7 -48.6 -5.6 2.1 -4.3 1048 516 B I H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.920 112.5 51.3 -63.4 -45.6 -5.8 3.7 -0.9 1049 517 B K H X S+ 0 0 74 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.884 109.6 49.9 -59.7 -40.2 -7.9 6.6 -2.1 1050 518 B A H X S+ 0 0 35 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.812 104.9 58.6 -69.6 -30.9 -10.3 4.3 -3.9 1051 519 B Y H X S+ 0 0 2 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.944 108.1 45.6 -60.4 -45.0 -10.6 2.4 -0.6 1052 520 B Y H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.811 105.1 61.1 -70.8 -30.2 -11.8 5.6 1.1 1053 521 B D H X S+ 0 0 58 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.897 109.0 43.7 -58.8 -40.1 -14.1 6.3 -1.8 1054 522 B R H X S+ 0 0 122 -4,-1.7 4,-2.0 2,-0.2 3,-0.4 0.938 111.5 52.0 -71.6 -44.7 -15.8 3.0 -0.9 1055 523 B K H X S+ 0 0 12 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.879 107.8 54.6 -55.2 -38.8 -15.8 3.7 2.9 1056 524 B Y H X S+ 0 0 16 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.834 103.8 53.7 -65.4 -35.7 -17.4 7.1 2.0 1057 525 B R H X S+ 0 0 167 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.912 112.0 44.7 -64.2 -42.1 -20.2 5.3 0.2 1058 526 B V H X S+ 0 0 51 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.916 109.2 57.7 -65.1 -42.8 -20.8 3.2 3.3 1059 527 B F H X S+ 0 0 4 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.908 111.2 41.7 -52.8 -48.6 -20.5 6.4 5.5 1060 528 B H H X S+ 0 0 51 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.884 111.6 55.5 -66.9 -40.8 -23.4 8.0 3.5 1061 529 B Q H X S+ 0 0 89 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.837 100.4 60.1 -61.1 -35.7 -25.4 4.8 3.4 1062 530 B X H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.866 101.6 52.7 -64.6 -36.6 -25.3 4.5 7.3 1063 531 B Y H X S+ 0 0 42 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.959 111.6 46.3 -61.3 -48.6 -27.1 7.8 7.7 1064 532 B H H X S+ 0 0 105 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.867 111.8 51.6 -61.6 -35.3 -29.8 6.6 5.4 1065 533 B D H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.931 106.8 54.3 -66.1 -43.3 -30.0 3.4 7.3 1066 534 B H H X S+ 0 0 22 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.928 109.8 46.3 -52.5 -51.2 -30.3 5.3 10.5 1067 535 B X H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.851 109.3 56.0 -63.0 -35.3 -33.3 7.2 9.2 1068 536 B R H X S+ 0 0 136 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.924 106.1 49.5 -63.7 -43.3 -34.9 4.0 7.9 1069 537 B Y H X S+ 0 0 130 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.932 110.6 51.2 -58.7 -44.7 -34.8 2.3 11.3 1070 538 B Q H X S+ 0 0 107 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.913 110.6 49.2 -57.4 -43.0 -36.4 5.5 12.7 1071 539 B A H < S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.7 50.8 -66.2 -39.7 -39.1 5.2 10.0 1072 540 B L H < S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 107.1 51.7 -65.2 -42.1 -39.7 1.5 10.7 1073 541 B X H < 0 0 162 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.763 360.0 360.0 -66.7 -23.5 -40.1 2.1 14.5 1074 542 B Q < 0 0 211 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.591 360.0 360.0 93.6 360.0 -42.6 4.7 13.2