==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-SEP-11 3TN8 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BAUMLI,A.J.HOLE,J.E.ENDICOTT . 557 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 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 . 21 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 1 0 0 1 1 1 3 0 1 1 2 2 0 0 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 3 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 . 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 8 A V 0 0 95 0, 0.0 373,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.1 37.3 -3.0 -37.9 2 9 A E + 0 0 96 371,-0.1 371,-0.0 1,-0.1 372,-0.0 -0.193 360.0 170.8 -65.7 150.3 38.7 -0.3 -35.6 3 10 A C > + 0 0 24 1,-0.1 3,-0.6 442,-0.0 441,-0.1 -0.462 10.3 160.2-162.5 78.7 40.3 -1.1 -32.3 4 11 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 440,-0.1 0.609 77.7 47.0 -78.1 -15.9 42.2 1.7 -30.5 5 12 A F T 3 S+ 0 0 53 438,-0.4 2,-0.3 1,-0.2 72,-0.2 0.104 102.2 59.7-121.4 21.9 42.1 0.1 -27.1 6 13 A C S < S- 0 0 0 -3,-0.6 -1,-0.2 70,-0.1 72,-0.1 -0.753 71.5-155.4-150.4 98.4 43.3 -3.5 -27.7 7 14 A D - 0 0 71 70,-0.4 72,-1.9 -2,-0.3 2,-0.4 -0.334 28.3-100.2 -77.9 155.0 46.7 -3.9 -29.2 8 15 A E B > -a 79 0A 102 70,-0.2 3,-1.9 1,-0.1 72,-0.2 -0.625 25.8-134.4 -73.9 126.6 47.8 -6.9 -31.2 9 16 A V G > S+ 0 0 8 70,-2.8 3,-2.4 -2,-0.4 -1,-0.1 0.612 94.4 90.2 -60.5 -9.8 49.8 -9.2 -28.9 10 17 A S G 3 + 0 0 72 69,-0.3 -1,-0.3 1,-0.3 22,-0.1 0.587 67.6 78.2 -61.8 -7.8 52.3 -9.4 -31.8 11 18 A K G < S+ 0 0 50 -3,-1.9 21,-2.3 20,-0.1 2,-0.4 0.592 88.5 69.1 -76.2 -11.2 53.9 -6.4 -30.2 12 19 A Y E < S-B 31 0B 9 -3,-2.4 2,-0.7 19,-0.2 19,-0.2 -0.932 80.1-139.9-110.1 132.6 55.4 -8.9 -27.8 13 20 A E E -B 30 0B 78 17,-3.0 17,-2.3 -2,-0.4 -3,-0.1 -0.816 24.4-132.8 -88.1 116.7 58.1 -11.4 -28.8 14 21 A K E +B 29 0B 90 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.271 30.9 170.1 -62.5 157.8 57.3 -14.7 -27.1 15 22 A L E - 0 0 95 13,-1.7 2,-0.3 1,-0.3 14,-0.1 0.568 49.7 -17.8-135.2 -56.0 60.3 -16.4 -25.3 16 23 A A E -B 28 0B 50 12,-0.6 12,-2.2 2,-0.0 2,-0.4 -0.995 59.8 -97.6-161.8 154.1 59.4 -19.4 -23.2 17 24 A K E -B 27 0B 149 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.623 30.3-175.5 -78.4 127.2 56.7 -21.3 -21.3 18 25 A I - 0 0 78 8,-3.3 9,-0.1 -2,-0.4 -1,-0.1 -0.252 68.7 -35.0-147.1 54.6 56.7 -20.3 -17.6 19 26 A G > > + 0 0 16 7,-0.1 3,-1.0 5,-0.1 5,-0.6 0.725 39.3 172.6-163.8 179.5 54.7 -22.3 -17.4 20 27 A Q G > 5S+ 0 0 141 1,-0.2 3,-1.3 5,-0.2 5,-0.0 0.743 98.7 71.9 -73.2 -21.8 51.7 -24.7 -18.0 21 28 A G G 3 5S+ 0 0 87 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.590 83.9 68.3 -69.2 -10.7 52.7 -26.6 -14.8 22 29 A T G < 5S- 0 0 36 -3,-1.0 -1,-0.3 2,-0.5 -2,-0.1 0.155 123.6 -97.4 -96.7 18.7 51.5 -23.7 -12.7 23 30 A F T < 5S+ 0 0 146 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.229 101.4 75.1 86.9 -11.4 47.8 -24.3 -13.7 24 31 A G S > -B 12 0B 32 5,-2.7 4,-2.5 -2,-0.5 3,-0.6 -0.474 27.3-135.4 -63.3 117.6 58.3 -5.8 -25.9 32 39 A R T 34 S+ 0 0 129 -21,-2.3 -1,-0.2 -2,-0.4 -20,-0.1 0.625 98.1 34.7 -52.4 -15.9 59.6 -5.6 -29.5 33 40 A K T 34 S+ 0 0 190 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.720 129.7 22.5-112.1 -27.8 60.5 -1.9 -29.0 34 41 A T T <4 S- 0 0 99 -3,-0.6 -2,-0.2 2,-0.1 3,-0.1 0.522 89.5-123.0-122.8 -13.5 61.6 -1.4 -25.4 35 42 A G < + 0 0 10 -4,-2.5 -3,-0.1 1,-0.3 -6,-0.0 0.202 52.4 160.8 86.4 -16.9 62.7 -4.8 -24.2 36 43 A Q - 0 0 74 -6,-0.2 -5,-2.7 -5,-0.1 2,-0.4 -0.023 36.0-131.3 -38.1 132.8 60.2 -4.5 -21.3 37 44 A K E +C 30 0B 87 -7,-0.2 53,-1.6 -3,-0.1 2,-0.3 -0.776 34.1 166.1 -98.8 140.0 59.6 -8.0 -20.0 38 45 A V E -CD 29 89B 0 -9,-2.3 -9,-1.9 -2,-0.4 2,-0.5 -0.917 33.8-121.2-144.5 163.8 56.0 -9.3 -19.5 39 46 A A E -CD 28 88B 12 49,-1.7 49,-2.8 -2,-0.3 2,-0.6 -0.962 22.5-155.8-111.6 132.1 54.0 -12.4 -18.8 40 47 A L E -CD 27 87B 0 -13,-2.2 -13,-2.5 -2,-0.5 2,-0.6 -0.932 5.3-167.7-107.1 121.4 51.3 -13.3 -21.3 41 48 A K E -CD 26 86B 38 45,-3.1 45,-3.2 -2,-0.6 2,-0.3 -0.948 14.4-145.3-103.6 120.0 48.4 -15.5 -20.1 42 49 A K E - D 0 85B 61 -17,-1.6 2,-1.0 -2,-0.6 -17,-0.4 -0.634 17.9-122.9 -75.5 138.9 46.3 -16.8 -22.9 43 50 A V - 0 0 16 41,-2.7 41,-0.4 -2,-0.3 2,-0.2 -0.781 32.0-133.3 -80.4 106.0 42.6 -17.1 -22.2 44 51 A L - 0 0 91 -2,-1.0 39,-0.0 1,-0.1 -3,-0.0 -0.373 25.5-176.8 -66.0 130.9 42.0 -20.8 -22.8 45 52 A M > + 0 0 85 -2,-0.2 3,-1.8 7,-0.0 -1,-0.1 0.349 36.2 126.4-114.4 0.9 38.9 -21.5 -24.9 46 53 A E T 3 S+ 0 0 157 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.401 87.2 4.5 -56.3 132.9 38.8 -25.3 -25.0 47 54 A N T 3 S+ 0 0 143 1,-0.2 2,-0.7 -2,-0.1 -1,-0.3 0.687 96.4 130.4 62.9 19.5 35.4 -26.6 -23.8 48 55 A E < + 0 0 79 -3,-1.8 3,-0.2 1,-0.1 -1,-0.2 -0.926 19.8 160.5-105.6 111.7 34.1 -23.0 -23.6 49 56 A K + 0 0 176 -2,-0.7 353,-0.1 1,-0.2 -1,-0.1 0.035 58.0 73.2-121.7 24.6 30.8 -22.9 -25.4 50 57 A E S S- 0 0 69 1,-0.6 -1,-0.2 352,-0.1 4,-0.1 -0.220 102.9-103.1-134.1 41.4 29.3 -19.7 -23.9 51 58 A G S S+ 0 0 9 -3,-0.2 -1,-0.6 -6,-0.1 3,-0.1 -0.284 90.3 8.9 69.6-155.7 31.4 -17.0 -25.6 52 59 A F S S- 0 0 7 383,-0.2 5,-0.1 1,-0.1 -7,-0.0 -0.398 100.2 -98.1 -58.6 126.4 34.1 -15.2 -23.7 53 60 A P >> - 0 0 4 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.232 18.1-143.2 -60.0 126.6 34.5 -17.2 -20.4 54 61 A I H 3> S+ 0 0 52 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.797 102.6 63.5 -56.1 -30.0 32.7 -15.7 -17.4 55 62 A T H 3> S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.923 101.8 46.6 -57.7 -49.5 35.7 -17.0 -15.5 56 63 A A H <> S+ 0 0 7 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.770 106.9 59.0 -68.0 -27.9 38.1 -14.7 -17.4 57 64 A L H X S+ 0 0 11 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.918 106.0 48.4 -66.9 -43.9 35.7 -11.8 -16.9 58 65 A R H X S+ 0 0 101 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.977 112.4 47.9 -53.2 -60.5 36.0 -12.2 -13.1 59 66 A E H X S+ 0 0 10 -4,-2.0 4,-3.1 1,-0.3 5,-0.3 0.926 113.9 45.9 -51.3 -54.5 39.7 -12.3 -13.2 60 67 A I H X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 -1,-0.3 0.848 112.4 51.8 -58.2 -36.8 40.1 -9.3 -15.4 61 68 A K H X S+ 0 0 101 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.968 114.3 43.9 -62.0 -48.5 37.5 -7.4 -13.3 62 69 A I H >X S+ 0 0 8 -4,-3.1 4,-2.9 1,-0.2 3,-0.6 0.904 113.5 48.0 -64.8 -48.0 39.5 -8.2 -10.2 63 70 A L H 3< S+ 0 0 4 -4,-3.1 11,-0.3 1,-0.2 -1,-0.2 0.844 107.2 56.5 -64.0 -35.7 43.0 -7.5 -11.5 64 71 A Q H 3< S+ 0 0 64 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.783 114.8 40.9 -67.0 -24.3 41.9 -4.2 -13.0 65 72 A L H << S+ 0 0 86 -4,-0.9 2,-1.5 -3,-0.6 -2,-0.2 0.878 98.3 78.5 -87.2 -45.7 40.8 -3.3 -9.5 66 73 A L < + 0 0 0 -4,-2.9 2,-0.7 -5,-0.1 8,-0.2 -0.492 54.4 162.1 -74.1 87.5 43.7 -4.7 -7.5 67 74 A K + 0 0 88 -2,-1.5 2,-0.3 6,-0.1 6,-0.1 -0.880 21.2 125.7-112.1 105.6 46.5 -2.1 -7.9 68 75 A H > - 0 0 49 -2,-0.7 3,-2.8 3,-0.4 53,-0.0 -0.982 68.3-111.2-164.6 140.8 49.2 -2.6 -5.2 69 76 A E T 3 S+ 0 0 122 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.715 118.2 44.3 -46.8 -29.1 53.0 -3.1 -4.9 70 77 A N T 3 S+ 0 0 6 79,-0.1 80,-2.5 50,-0.1 2,-0.5 0.272 99.2 80.2-108.1 11.0 52.4 -6.7 -3.7 71 78 A V B < S-f 150 0C 3 -3,-2.8 -3,-0.4 78,-0.3 80,-0.2 -0.977 91.2-101.6-117.6 132.2 49.8 -7.8 -6.2 72 79 A V - 0 0 10 78,-2.9 2,-0.6 -2,-0.5 -4,-0.2 -0.004 43.5-121.4 -43.0 151.5 50.8 -8.9 -9.7 73 80 A N - 0 0 47 16,-0.3 16,-1.6 -6,-0.1 2,-0.5 -0.887 13.1-152.3-118.1 115.2 50.1 -6.1 -12.2 74 81 A L E -E 88 0B 12 -2,-0.6 14,-0.2 -11,-0.3 3,-0.1 -0.673 14.5-179.7 -78.1 123.9 47.8 -6.3 -15.3 75 82 A I E - 0 0 61 12,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.825 57.5 -45.0 -93.1 -40.2 49.2 -3.9 -17.9 76 83 A E E -E 87 0B 40 11,-1.1 11,-2.0 -70,-0.0 2,-0.4 -0.962 53.3-101.1-177.5 173.9 46.7 -4.4 -20.6 77 84 A I E -E 86 0B 12 -2,-0.3 -70,-0.4 -72,-0.2 2,-0.3 -0.978 35.0-159.9-122.6 137.5 44.8 -7.0 -22.6 78 85 A C E -E 85 0B 0 7,-3.3 7,-3.6 -2,-0.4 -70,-0.2 -0.803 6.1-163.3-122.6 157.4 45.8 -8.1 -26.1 79 86 A R B a 8 0A 48 -72,-1.9 -70,-2.8 -2,-0.3 -69,-0.3 -0.527 360.0 360.0-123.1-172.6 44.3 -9.8 -29.1 80 87 A T 0 0 103 3,-0.4 -1,-0.1 -72,-0.2 4,-0.1 0.043 360.0 360.0-157.9 360.0 45.3 -11.6 -32.3 81 ! 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 82 97 A G 0 0 114 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 149.8 41.0 -15.1 -32.7 83 98 A S - 0 0 39 -39,-0.0 2,-0.4 2,-0.0 -3,-0.4 -0.991 360.0-136.8-147.2 154.6 42.5 -15.2 -29.2 84 99 A I - 0 0 6 -41,-0.4 -41,-2.7 -2,-0.3 2,-0.4 -0.923 14.9-164.3-120.7 133.2 42.9 -13.0 -26.1 85 100 A Y E -DE 42 78B 17 -7,-3.6 -7,-3.3 -2,-0.4 2,-0.4 -0.950 13.6-146.7-120.3 131.0 45.9 -12.5 -23.9 86 101 A L E -DE 41 77B 3 -45,-3.2 -45,-3.1 -2,-0.4 2,-0.5 -0.793 23.2-155.2 -84.2 133.4 46.3 -11.0 -20.4 87 102 A V E +DE 40 76B 0 -11,-2.0 -12,-3.2 -2,-0.4 -11,-1.1 -0.951 15.0 177.5-121.6 123.1 49.6 -9.1 -20.1 88 103 A F E -DE 39 74B 20 -49,-2.8 -49,-1.7 -2,-0.5 -14,-0.2 -0.728 40.5 -93.2-116.1 163.1 51.5 -8.6 -16.8 89 104 A D E -D 38 0B 64 -16,-1.6 2,-0.3 -2,-0.2 -16,-0.3 -0.560 62.0-102.5 -64.0 141.1 54.7 -7.0 -15.6 90 105 A F - 0 0 41 -53,-1.6 2,-0.6 -2,-0.2 -53,-0.1 -0.549 29.4-158.1 -85.1 135.7 57.2 -9.9 -15.5 91 106 A C - 0 0 13 -2,-0.3 52,-0.2 1,-0.1 51,-0.1 -0.929 4.1-157.9-113.8 112.9 58.1 -11.7 -12.3 92 107 A E S S+ 0 0 91 -2,-0.6 2,-0.3 49,-0.1 51,-0.2 0.809 70.1 37.5 -60.0 -35.4 61.4 -13.6 -12.5 93 108 A H E -G 142 0C 68 49,-2.8 49,-3.3 4,-0.0 2,-0.4 -0.879 57.2-152.2-125.4 149.7 60.8 -16.0 -9.6 94 109 A D E >> -G 141 0C 55 -2,-0.3 4,-1.8 47,-0.3 3,-0.8 -0.982 29.5-125.9-115.2 134.9 58.1 -18.1 -8.0 95 110 A L H 3> S+ 0 0 0 45,-3.5 4,-2.0 -2,-0.4 43,-0.2 0.698 109.5 55.1 -49.6 -25.3 58.4 -18.8 -4.3 96 111 A A H 3> S+ 0 0 31 41,-0.7 4,-1.9 44,-0.3 -1,-0.3 0.920 104.8 50.6 -76.1 -44.0 58.1 -22.5 -5.0 97 112 A G H <> S+ 0 0 30 -3,-0.8 4,-1.4 1,-0.2 -2,-0.2 0.881 114.1 47.6 -58.2 -38.7 60.9 -22.7 -7.5 98 113 A L H < S+ 0 0 27 -4,-1.8 6,-0.3 1,-0.2 -1,-0.2 0.926 109.6 50.6 -67.2 -47.7 63.0 -20.9 -4.8 99 114 A L H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.785 114.2 44.3 -65.7 -27.8 62.1 -23.1 -1.9 100 115 A S H < S+ 0 0 87 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 0.762 91.6 93.8 -88.7 -27.1 62.9 -26.3 -3.9 101 116 A N >< - 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0 0 8 -2,-0.1 3,-2.5 -30,-0.1 4,-0.4 -0.881 58.0 -11.4-176.8-153.1 36.0 -15.4 4.0 190 208 A P T >> S+ 0 0 35 0, 0.0 4,-1.3 0, 0.0 3,-1.3 0.750 111.8 75.0 -37.3 -45.0 39.5 -13.9 4.5 191 209 A P H 3> S+ 0 0 39 0, 0.0 4,-1.2 0, 0.0 95,-0.0 0.706 88.3 61.9 -50.9 -22.3 40.6 -16.4 7.2 192 210 A I H <> S+ 0 0 5 -3,-2.5 4,-1.5 2,-0.2 3,-0.4 0.940 101.7 49.0 -68.4 -45.2 41.0 -19.1 4.5 193 211 A D H <> S+ 0 0 1 -3,-1.3 4,-2.3 -4,-0.4 -1,-0.2 0.873 107.9 55.9 -60.6 -37.2 43.8 -17.2 2.7 194 212 A L H X S+ 0 0 2 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.816 99.6 59.2 -68.0 -31.7 45.6 -16.7 5.9 195 213 A W H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.948 107.5 46.9 -57.0 -49.0 45.6 -20.4 6.6 196 214 A G H X S+ 0 0 1 -4,-1.5 4,-3.3 1,-0.3 5,-0.3 0.936 105.8 57.8 -59.0 -47.2 47.5 -20.7 3.3 197 215 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.873 106.1 53.5 -47.2 -40.6 49.8 -17.9 4.4 198 216 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 79,-0.2 5,-0.2 0.983 109.1 44.1 -57.6 -61.7 50.5 -20.2 7.4 199 217 A C H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.898 114.8 50.8 -52.3 -44.9 51.5 -23.2 5.3 200 218 A I H X S+ 0 0 0 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.945 108.3 51.8 -60.2 -47.9 53.6 -21.0 3.1 201 219 A M H >< S+ 0 0 0 -4,-2.6 3,-0.9 -5,-0.3 4,-0.3 0.927 111.9 45.9 -55.1 -48.6 55.4 -19.4 6.0 202 220 A A H >X S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 4,-2.1 0.911 105.4 61.4 -59.4 -43.5 56.2 -22.8 7.5 203 221 A E H 3X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.3 -1,-0.3 0.768 88.8 74.2 -52.6 -28.3 57.3 -24.0 4.0 204 222 A M H << S+ 0 0 3 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.691 110.6 25.5 -63.6 -22.2 59.9 -21.2 4.2 205 223 A W H <4 S+ 0 0 48 -3,-2.2 -2,-0.2 -4,-0.3 -1,-0.2 0.709 124.5 48.8-107.5 -36.3 62.0 -23.3 6.7 206 224 A T H < S- 0 0 22 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.563 88.4-147.4 -82.8 -10.3 60.9 -26.8 5.8 207 225 A R S < S+ 0 0 74 -4,-2.0 -4,-0.1 -5,-0.3 -3,-0.1 0.420 73.5 75.7 59.5 -4.1 61.5 -26.2 2.0 208 226 A S S S- 0 0 55 -6,-0.1 -2,-0.1 -5,-0.0 -3,-0.1 -0.998 98.7 -91.7-138.5 139.7 58.6 -28.6 1.4 209 227 A P - 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0 0 5 -4,-2.1 -1,-0.3 26,-0.4 26,-0.2 -0.277 52.2 -50.5 97.9 169.7 45.0 -31.1 17.6 229 247 A S - 0 0 6 24,-1.8 2,-1.6 22,-0.1 5,-0.1 -0.331 57.4-103.1 -77.4 162.0 41.7 -32.8 17.1 230 248 A I + 0 0 2 20,-0.1 -1,-0.1 4,-0.1 -2,-0.1 -0.580 59.5 157.6 -87.7 77.1 38.6 -30.9 16.0 231 249 A T >> - 0 0 49 -2,-1.6 4,-3.3 1,-0.1 3,-1.4 -0.778 54.3-126.9-100.5 144.3 36.8 -30.6 19.3 232 250 A P T 34 S+ 0 0 46 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.579 112.4 70.2 -62.0 -6.6 34.1 -28.0 20.1 233 251 A E T 34 S+ 0 0 173 2,-0.1 -3,-0.1 3,-0.1 0, 0.0 0.872 113.3 24.6 -71.9 -40.1 36.5 -27.4 23.1 234 252 A V T <4 S+ 0 0 62 -3,-1.4 47,-0.2 1,-0.2 -1,-0.1 0.839 136.3 33.3 -88.3 -41.1 39.0 -25.9 20.6 235 253 A W S >< S- 0 0 5 -4,-3.3 3,-1.5 45,-0.1 -1,-0.2 -0.808 85.6-138.7-126.8 87.6 36.6 -24.9 17.9 236 254 A P T 3 S+ 0 0 68 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.099 83.6 7.8 -47.4 136.5 33.2 -23.7 19.2 237 255 A N T > S+ 0 0 104 -5,-0.1 3,-0.6 1,-0.1 4,-0.2 0.664 76.2 139.5 64.2 21.5 30.1 -24.9 17.2 238 256 A V T < + 0 0 0 -3,-1.5 3,-0.5 1,-0.2 -1,-0.1 0.500 59.6 80.0 -69.7 0.2 32.2 -27.2 15.0 239 257 A D T 3 S+ 0 0 71 1,-0.2 5,-0.3 5,-0.1 -1,-0.2 0.952 71.6 68.6 -70.4 -54.0 29.1 -29.5 15.5 240 258 A N S < S+ 0 0 116 -3,-0.6 2,-0.6 4,-0.1 -1,-0.2 0.591 75.8 102.5 -49.7 -15.1 26.7 -28.0 13.0 241 259 A Y > - 0 0 41 -3,-0.5 3,-1.7 -4,-0.2 4,-0.4 -0.623 64.8-153.0 -74.6 118.6 28.8 -29.2 10.2 242 260 A E T 3> S+ 0 0 173 -2,-0.6 4,-1.2 1,-0.3 3,-0.4 0.917 95.0 56.9 -58.6 -45.3 27.2 -32.4 8.8 243 261 A L H 3> S+ 0 0 64 -60,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.479 84.9 96.9 -67.0 0.7 30.5 -33.8 7.5 244 262 A Y H <4 S+ 0 0 40 -3,-1.7 3,-0.4 -5,-0.3 -1,-0.2 0.978 104.7 4.7 -51.1 -78.1 31.7 -33.5 11.1 245 263 A E H 4 S+ 0 0 156 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.794 114.3 86.9 -79.5 -30.7 31.0 -37.0 12.4 246 264 A K H < S+ 0 0 152 -4,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.787 98.6 32.0 -41.3 -38.0 30.0 -38.3 8.9 247 265 A L S < S- 0 0 95 -4,-1.0 -1,-0.2 -3,-0.4 -4,-0.0 -0.924 103.1 -86.1-136.8 113.4 33.6 -39.0 8.1 248 266 A E + 0 0 113 -2,-0.4 -1,-0.1 -3,-0.1 2,-0.0 0.041 46.6 161.2 44.5-120.9 36.5 -40.0 10.4 249 267 A L - 0 0 21 -32,-0.2 2,-0.1 -20,-0.0 -28,-0.1 0.002 41.5-108.7 72.5 164.0 38.5 -37.4 12.2 250 268 A V - 0 0 51 -22,-0.1 -20,-0.1 -29,-0.1 -29,-0.0 -0.202 18.3-154.5-104.5-156.2 40.5 -38.5 15.2 251 269 A K S S+ 0 0 191 -2,-0.1 -22,-0.1 -22,-0.1 -1,-0.1 0.460 78.3 55.1-155.6 -24.4 39.9 -37.8 18.9 252 270 A G S S+ 0 0 69 -24,-0.1 2,-0.3 2,-0.1 0, 0.0 0.293 71.1 132.5-106.1 10.6 43.0 -37.9 21.1 253 271 A Q - 0 0 53 -25,-0.0 -24,-1.8 1,-0.0 2,-0.4 -0.456 35.2-166.0 -74.2 125.8 45.2 -35.4 19.2 254 272 A K - 0 0 179 -2,-0.3 -26,-0.4 -26,-0.2 -2,-0.1 -0.897 39.0 -84.5-110.8 143.8 47.0 -32.7 21.1 255 273 A R + 0 0 88 -2,-0.4 -28,-0.2 -28,-0.3 4,-0.1 -0.143 47.9 165.6 -53.8 123.0 48.6 -29.6 19.5 256 274 A K > + 0 0 123 -30,-2.0 4,-3.1 2,-0.1 5,-0.3 0.092 37.4 115.3-124.0 20.8 52.1 -30.2 18.1 257 275 A V H > S+ 0 0 2 -31,-0.5 4,-1.5 2,-0.2 5,-0.2 0.968 84.1 35.8 -56.7 -60.9 52.5 -27.2 15.8 258 276 A K H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 121.6 48.5 -60.5 -44.3 55.3 -25.5 17.7 259 277 A D H > S+ 0 0 105 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.925 110.6 46.7 -63.8 -49.7 56.9 -28.9 18.7 260 278 A R H < S+ 0 0 138 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.811 121.5 38.4 -66.8 -28.8 56.9 -30.6 15.2 261 279 A L H >X S+ 0 0 3 -4,-1.5 4,-2.3 -5,-0.3 3,-1.1 0.666 88.8 95.4 -95.2 -22.0 58.3 -27.4 13.5 262 280 A K H 3X S+ 0 0 118 -4,-1.9 4,-1.5 1,-0.3 -1,-0.1 0.839 82.0 54.8 -30.0 -57.2 60.7 -26.4 16.3 263 281 A A H 3< S+ 0 0 74 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.862 116.2 34.3 -53.7 -45.6 63.6 -28.2 14.6 264 282 A Y H <4 S+ 0 0 137 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.919 121.3 42.3 -77.8 -47.3 63.3 -26.4 11.3 265 283 A V H < + 0 0 3 -4,-2.3 2,-1.8 1,-0.2 -3,-0.2 0.950 66.8 175.0 -75.7 -54.8 62.1 -22.9 12.3 266 284 A R < + 0 0 211 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.404 44.8 101.9 84.2 -64.0 64.3 -22.1 15.3 267 285 A D > - 0 0 27 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.382 63.6-147.9 -60.4 126.0 63.2 -18.5 15.9 268 286 A P H > S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.905 98.1 48.4 -60.8 -48.2 60.7 -18.3 18.8 269 287 A Y H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.890 110.0 53.8 -61.7 -41.3 58.7 -15.3 17.4 270 288 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.971 110.6 45.2 -55.1 -58.3 58.6 -17.1 14.0 271 289 A L H X S+ 0 0 18 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 110.1 56.4 -52.0 -44.8 57.1 -20.3 15.6 272 290 A D H X S+ 0 0 42 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.893 109.2 45.0 -58.0 -41.8 54.7 -18.1 17.6 273 291 A L H X S+ 0 0 0 -4,-2.2 4,-1.1 -3,-0.3 3,-0.5 0.901 109.4 54.6 -70.5 -41.6 53.3 -16.4 14.4 274 292 A I H >X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 3,-0.5 0.897 105.1 56.0 -55.3 -41.2 52.9 -19.7 12.5 275 293 A D H 3< S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.812 107.0 47.2 -64.3 -32.6 50.9 -21.1 15.4 276 294 A K H 3< S+ 0 0 83 -4,-1.0 10,-2.3 -3,-0.5 3,-0.4 0.640 113.0 49.7 -86.1 -13.9 48.3 -18.2 15.2 277 295 A L H << S+ 0 0 0 -4,-1.1 2,-0.5 -3,-0.5 -79,-0.2 0.804 108.7 52.7 -86.2 -36.9 48.1 -18.6 11.4 278 296 A L S < S+ 0 0 0 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 -0.320 80.4 140.1 -95.2 49.3 47.5 -22.4 11.7 279 297 A V - 0 0 24 -2,-0.5 6,-0.1 -3,-0.4 -3,-0.1 -0.657 51.6-137.2 -90.1 149.5 44.7 -22.1 14.1 280 298 A L S S+ 0 0 1 -2,-0.3 -100,-0.2 -53,-0.2 -1,-0.1 0.956 87.0 62.7 -75.0 -52.2 41.7 -24.4 13.7 281 299 A D S >> S- 0 0 14 -47,-0.2 3,-2.7 1,-0.2 4,-0.9 -0.687 71.9-152.0 -82.0 111.9 38.8 -22.1 14.3 282 300 A P T 34 S+ 0 0 25 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.797 96.0 60.5 -50.1 -38.5 38.8 -19.3 11.6 283 301 A A T 34 S+ 0 0 90 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.668 113.3 38.0 -66.1 -17.0 37.1 -16.9 14.0 284 302 A Q T <4 S+ 0 0 115 -3,-2.7 2,-0.3 2,-0.1 -1,-0.2 0.444 92.3 108.0-110.9 -7.7 40.1 -17.3 16.2 285 303 A R S < S- 0 0 13 -4,-0.9 -8,-0.2 -3,-0.4 -9,-0.1 -0.581 82.0 -99.3 -74.7 134.1 42.7 -17.5 13.5 286 304 A I - 0 0 26 -10,-2.3 2,-0.1 -2,-0.3 -1,-0.1 -0.125 35.1-132.0 -55.2 142.0 44.9 -14.3 13.3 287 305 A D > - 0 0 72 -3,-0.1 4,-1.4 1,-0.1 5,-0.2 -0.419 25.4-103.7 -90.2 171.7 44.0 -11.7 10.7 288 306 A S H > S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.861 117.3 54.0 -67.9 -35.5 46.5 -10.0 8.3 289 307 A D H > S+ 0 0 89 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.973 111.2 43.8 -60.2 -56.0 46.6 -6.7 10.3 290 308 A D H 4 S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.756 112.0 54.5 -63.2 -26.3 47.5 -8.4 13.6 291 309 A A H >< S+ 0 0 0 -4,-1.4 3,-0.6 2,-0.2 -1,-0.2 0.810 104.6 52.9 -78.0 -30.3 50.1 -10.6 11.9 292 310 A L H 3< S+ 0 0 27 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.761 112.6 47.4 -72.3 -23.6 51.8 -7.7 10.4 293 311 A N T 3< S+ 0 0 110 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.392 84.5 121.4 -96.2 -2.5 52.0 -6.3 13.9 294 312 A H S X S- 0 0 15 -3,-0.6 3,-2.2 -4,-0.2 4,-0.4 -0.358 79.9-111.1 -63.7 143.0 53.2 -9.5 15.5 295 313 A D G > S+ 0 0 94 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.583 109.3 82.4 -56.0 -8.5 56.6 -9.1 17.3 296 314 A F G > S+ 0 0 0 1,-0.2 3,-0.6 -27,-0.2 -1,-0.3 0.907 97.1 38.7 -60.9 -41.4 58.1 -11.3 14.5 297 315 A F G < S+ 0 0 1 -3,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 0.448 116.0 54.3 -89.9 -2.3 58.4 -8.2 12.3 298 316 A W G < S+ 0 0 144 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.2 -0.191 97.7 66.9-128.2 39.9 59.4 -5.9 15.1 299 317 A S S < S- 0 0 21 -3,-0.6 0, 0.0 2,-0.3 0, 0.0 -0.922 86.9 -32.7-148.6 171.4 62.4 -7.6 16.6 300 318 A D S S+ 0 0 132 -2,-0.3 2,-0.1 2,-0.1 -2,-0.1 -0.520 116.2 35.8 -89.6 149.3 65.9 -8.5 15.5 301 319 A P S S- 0 0 63 0, 0.0 -2,-0.3 0, 0.0 3,-0.1 0.693 93.4-142.2 -66.2 156.8 67.0 -9.1 13.0 302 320 A M - 0 0 80 -2,-0.1 -189,-0.1 1,-0.1 -4,-0.1 -0.540 34.1 -79.0 -84.5 154.7 64.6 -6.7 11.3 303 321 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -193,-0.2 -0.296 59.2-172.1 -52.3 126.4 63.0 -7.4 7.9 304 322 A S - 0 0 44 -195,-1.1 -191,-0.2 1,-0.2 0, 0.0 -0.748 24.8 -89.8-120.7 168.8 65.6 -6.7 5.2 305 323 A D - 0 0 122 -2,-0.2 2,-0.4 1,-0.1 -1,-0.2 -0.088 48.0 -98.8 -71.7 175.7 65.7 -6.5 1.4 306 324 A L 0 0 36 -161,-0.3 -1,-0.1 -160,-0.2 -159,-0.0 -0.831 360.0 360.0-111.7 136.2 66.4 -9.5 -0.9 307 325 A K 0 0 237 -2,-0.4 -162,-0.0 -161,-0.0 -197,-0.0 -0.948 360.0 360.0-145.0 360.0 69.6 -10.6 -2.7 308 !* 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 0.0 309 8 B N 0 0 147 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-161.4 41.7 6.0 -18.4 310 9 B N + 0 0 151 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.671 360.0 21.3 -76.0 -17.8 39.9 8.6 -16.3 311 10 B K S > S+ 0 0 174 2,-0.0 3,-1.0 1,-0.0 -1,-0.2 0.180 89.4 107.9-136.9 15.2 38.6 10.4 -19.3 312 11 B R T 3 S+ 0 0 80 1,-0.2 -2,-0.1 -3,-0.2 -1,-0.0 0.834 87.9 38.5 -65.9 -35.1 38.8 7.9 -22.1 313 12 B W T 3 S+ 0 0 6 -4,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.021 97.7 89.9-110.6 24.9 35.0 7.4 -22.3 314 13 B Y < - 0 0 65 -3,-1.0 2,-0.3 177,-0.1 177,-0.2 -0.991 57.8-171.2-122.6 132.7 33.9 11.0 -21.8 315 14 B F - 0 0 31 175,-3.1 2,-0.1 -2,-0.4 -2,-0.0 -0.762 20.3-121.6-123.7 161.8 33.5 13.2 -24.8 316 15 B T > - 0 0 75 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.407 36.7-106.4 -89.0 173.4 32.9 16.9 -25.7 317 16 B R H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.910 123.1 55.8 -67.7 -39.1 30.0 18.0 -27.7 318 17 B E H > S+ 0 0 167 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.828 109.2 48.8 -60.3 -29.5 32.3 18.6 -30.7 319 18 B Q H 4 S+ 0 0 96 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.800 107.5 52.3 -81.0 -32.1 33.4 15.0 -30.3 320 19 B L H >< S+ 0 0 18 -4,-1.5 3,-0.6 -3,-0.2 -2,-0.2 0.816 108.2 52.3 -74.0 -32.3 29.8 13.6 -30.2 321 20 B E H 3< S+ 0 0 87 -4,-1.9 2,-1.2 1,-0.2 -2,-0.2 0.909 105.2 55.7 -68.0 -44.5 28.9 15.4 -33.4 322 21 B N T 3< S+ 0 0 129 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.284 83.9 159.3 -84.5 52.5 32.0 13.9 -35.2 323 22 B S X> - 0 0 1 -2,-1.2 4,-1.9 -3,-0.6 3,-0.8 -0.325 58.8-109.7 -73.2 153.8 30.9 10.4 -34.4 324 23 B P T 34 S+ 0 0 21 0, 0.0 4,-0.4 0, 0.0 51,-0.2 0.870 123.8 54.5 -47.5 -36.5 32.1 7.4 -36.4 325 24 B S T >4>S+ 0 0 0 46,-0.4 5,-2.1 49,-0.3 3,-0.8 0.832 102.5 54.1 -70.5 -33.7 28.5 7.2 -37.7 326 25 B R G X45S+ 0 0 43 -3,-0.8 3,-2.4 1,-0.2 -1,-0.2 0.902 100.5 62.1 -62.3 -40.5 28.6 10.9 -38.9 327 26 B R G 3<5S+ 0 0 174 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.662 103.2 49.8 -62.3 -19.0 31.7 10.0 -40.8 328 27 B F G < 5S- 0 0 110 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.016 129.5 -94.7-108.7 25.9 29.6 7.5 -42.8 329 28 B G T < 5S+ 0 0 65 -3,-2.4 2,-0.7 1,-0.2 -3,-0.2 0.666 72.9 148.0 79.0 20.6 26.9 10.1 -43.5 330 29 B V < - 0 0 15 -5,-2.1 -1,-0.2 1,-0.0 -2,-0.1 -0.804 49.4-121.3 -89.1 117.8 24.5 9.3 -40.7 331 30 B D > - 0 0 81 -2,-0.7 4,-2.0 1,-0.1 5,-0.2 -0.103 20.7-112.2 -54.5 155.2 22.7 12.6 -39.7 332 31 B P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.854 116.5 48.8 -58.6 -39.7 23.1 13.7 -36.1 333 32 B D H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.862 108.8 51.3 -71.9 -37.9 19.4 13.1 -35.4 334 33 B K H > S+ 0 0 108 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.882 103.5 58.0 -68.1 -38.2 19.3 9.6 -36.9 335 34 B E H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.951 105.4 52.5 -56.2 -45.1 22.3 8.5 -34.8 336 35 B L H X S+ 0 0 67 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.870 109.5 47.1 -57.6 -41.2 20.3 9.4 -31.7 337 36 B S H X S+ 0 0 38 -4,-1.4 4,-3.7 2,-0.2 5,-0.3 0.953 108.2 56.3 -63.9 -48.9 17.3 7.3 -32.8 338 37 B Y H X S+ 0 0 91 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.907 110.5 45.5 -49.2 -47.0 19.6 4.5 -33.6 339 38 B R H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 3,-0.3 0.982 113.4 47.0 -58.2 -61.1 20.9 4.7 -30.0 340 39 B Q H X S+ 0 0 46 -4,-2.7 4,-2.9 1,-0.3 -2,-0.2 0.876 110.5 55.0 -49.8 -41.7 17.4 5.0 -28.4 341 40 B Q H X S+ 0 0 109 -4,-3.7 4,-2.2 2,-0.2 -1,-0.3 0.923 108.6 46.6 -60.6 -45.8 16.2 2.1 -30.6 342 41 B A H X S+ 0 0 1 -4,-2.0 4,-2.7 -3,-0.3 -2,-0.2 0.930 110.5 54.2 -61.8 -45.5 19.1 -0.1 -29.3 343 42 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.940 109.3 47.6 -51.0 -51.3 18.2 1.0 -25.7 344 43 B N H X S+ 0 0 76 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.888 110.4 51.8 -60.0 -38.8 14.6 -0.1 -26.2 345 44 B L H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.898 110.5 49.2 -66.8 -38.2 15.7 -3.4 -27.7 346 45 B L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.928 112.1 47.8 -64.3 -45.6 17.9 -4.0 -24.7 347 46 B Q H X S+ 0 0 29 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.911 112.2 48.8 -62.5 -43.4 15.1 -3.2 -22.3 348 47 B D H X S+ 0 0 50 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.953 117.4 40.5 -64.7 -48.2 12.6 -5.4 -24.0 349 48 B M H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.920 111.6 58.6 -60.9 -44.5 15.0 -8.4 -24.1 350 49 B G H <>S+ 0 0 0 -4,-3.0 5,-2.5 -5,-0.2 -1,-0.2 0.866 107.8 45.2 -57.7 -39.7 16.2 -7.6 -20.6 351 50 B Q H ><5S+ 0 0 116 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.874 114.9 46.6 -73.1 -38.7 12.7 -7.9 -19.1 352 51 B R H 3<5S+ 0 0 123 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.869 111.7 51.6 -69.4 -37.5 11.9 -11.1 -21.1 353 52 B L T 3<5S- 0 0 3 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.475 112.5-126.5 -76.4 -3.2 15.3 -12.6 -20.1 354 53 B N T < 5 + 0 0 132 -3,-0.6 2,-0.3 -5,-0.2 -3,-0.2 0.920 58.4 142.4 56.5 49.4 14.4 -11.7 -16.5 355 54 B V < - 0 0 14 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.0 -0.742 52.0 -91.6-111.2 168.8 17.6 -9.8 -15.7 356 55 B S > - 0 0 38 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.277 25.1-116.7 -79.8 161.3 17.9 -6.6 -13.6 357 56 B Q H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.778 116.6 63.6 -64.7 -27.9 17.7 -3.0 -14.7 358 57 B L H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 104.7 44.9 -59.2 -46.9 21.3 -2.8 -13.6 359 58 B T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.936 112.5 50.2 -62.9 -49.2 22.3 -5.3 -16.2 360 59 B I H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.890 111.6 49.7 -54.7 -43.3 20.2 -3.6 -18.9 361 60 B N H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.890 108.7 51.4 -64.4 -42.8 21.8 -0.3 -18.0 362 61 B T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.930 111.3 48.8 -59.9 -44.3 25.3 -1.7 -18.2 363 62 B A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.895 108.7 53.2 -61.0 -41.5 24.4 -3.1 -21.6 364 63 B I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.867 109.2 48.9 -63.6 -35.9 23.1 0.3 -22.7 365 64 B V H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.907 109.1 51.8 -70.8 -42.0 26.4 1.9 -21.6 366 65 B Y H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.934 111.1 49.6 -52.8 -48.3 28.4 -0.7 -23.5 367 66 B M H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.905 110.3 49.9 -60.4 -44.7 26.3 0.1 -26.5 368 67 B H H < S+ 0 0 0 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.951 115.6 40.7 -59.2 -53.6 26.8 3.9 -26.2 369 68 B R H >< S+ 0 0 21 -4,-2.6 3,-2.3 1,-0.2 4,-0.4 0.921 109.4 61.0 -63.3 -43.6 30.6 3.7 -25.9 370 69 B F H >X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 3,-1.0 0.846 103.9 50.1 -51.1 -38.1 30.7 1.0 -28.6 371 70 B Y T 3< S+ 0 0 0 -4,-1.5 -46,-0.4 -3,-0.4 -1,-0.3 0.379 96.5 67.8 -89.3 5.6 29.2 3.5 -31.0 372 71 B M T <4 S+ 0 0 13 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.454 117.6 26.7 -89.7 -6.3 31.7 6.2 -30.1 373 72 B I T <4 S+ 0 0 21 -3,-1.0 2,-0.2 -4,-0.4 -2,-0.2 0.676 123.6 45.6-120.0 -47.9 34.2 3.9 -31.8 374 73 B Q S < S- 0 0 10 -4,-2.9 -49,-0.3 -5,-0.2 2,-0.3 -0.650 80.2-120.0-100.8 160.8 32.3 1.9 -34.4 375 74 B S >> - 0 0 6 -2,-0.2 4,-2.1 -51,-0.2 3,-1.5 -0.737 10.0-131.5-104.2 149.1 29.7 3.1 -36.8 376 75 B F T 34 S+ 0 0 16 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.752 105.9 65.7 -65.6 -24.0 26.0 2.2 -37.2 377 76 B T T 34 S+ 0 0 75 1,-0.2 -1,-0.3 3,-0.1 -52,-0.0 0.509 112.9 32.0 -77.9 -5.7 26.5 1.7 -40.9 378 77 B R T <4 S+ 0 0 160 -3,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.586 126.7 39.3-119.7 -29.1 28.8 -1.2 -40.2 379 78 B F S < S- 0 0 15 -4,-2.1 -1,-0.3 -8,-0.0 2,-0.2 -0.923 79.4-145.6-125.8 106.6 27.3 -2.6 -37.0 380 79 B P >> - 0 0 70 0, 0.0 3,-2.8 0, 0.0 4,-1.8 -0.498 18.2-126.3 -71.3 133.5 23.5 -2.6 -36.9 381 80 B G H 3> S+ 0 0 13 1,-0.3 4,-2.7 -2,-0.2 -5,-0.0 0.818 108.4 63.0 -44.4 -38.9 21.9 -1.9 -33.5 382 81 B N H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 31,-0.1 0.544 109.0 41.2 -72.0 -3.3 19.9 -5.1 -33.7 383 82 B S H <> S+ 0 0 54 -3,-2.8 4,-1.3 2,-0.1 -2,-0.2 0.770 117.6 43.9-104.5 -45.7 23.1 -7.1 -33.8 384 83 B V H X S+ 0 0 0 -4,-1.8 4,-3.6 1,-0.2 5,-0.3 0.921 104.8 63.8 -63.7 -48.3 25.1 -5.3 -31.2 385 84 B A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.879 104.8 43.3 -50.7 -51.1 22.3 -5.0 -28.6 386 85 B P H > S+ 0 0 10 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.937 116.5 47.1 -63.6 -45.4 21.9 -8.7 -28.0 387 86 B A H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.923 111.8 52.5 -59.2 -43.5 25.6 -9.3 -27.9 388 87 B A H X S+ 0 0 1 -4,-3.6 4,-2.7 1,-0.2 -1,-0.2 0.920 112.4 43.9 -56.7 -45.1 25.9 -6.3 -25.5 389 88 B L H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.892 108.8 56.8 -71.6 -38.2 23.2 -7.7 -23.2 390 89 B F H X S+ 0 0 0 -4,-2.8 4,-0.9 -5,-0.2 10,-0.3 0.904 112.8 43.9 -54.0 -42.7 24.7 -11.2 -23.4 391 90 B L H >X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 3,-0.7 0.943 110.4 52.2 -69.1 -52.2 27.9 -9.6 -22.1 392 91 B A H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 6,-0.3 0.886 105.8 56.1 -52.5 -42.9 26.4 -7.4 -19.4 393 92 B A H 3<>S+ 0 0 2 -4,-2.5 5,-2.9 2,-0.2 -1,-0.3 0.838 109.6 45.4 -63.0 -33.7 24.6 -10.4 -17.9 394 93 B K H X<5S+ 0 0 10 -4,-0.9 3,-1.2 -3,-0.7 -1,-0.2 0.936 115.1 47.9 -71.8 -47.4 27.8 -12.3 -17.5 395 94 B V H 3<5S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.820 112.8 47.0 -61.2 -37.1 29.6 -9.2 -16.1 396 95 B E T 3<5S- 0 0 48 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.221 119.8-102.4 -98.5 15.7 26.8 -8.3 -13.6 397 96 B G T < 5S+ 0 0 59 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.711 96.1 102.6 78.5 22.1 26.4 -11.9 -12.3 398 97 B Q < - 0 0 63 -5,-2.9 -4,-0.2 -6,-0.3 -3,-0.1 -0.452 53.9-172.6-129.6 60.0 23.2 -12.8 -14.1 399 98 B P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.260 4.9-163.2 -62.8 138.9 24.5 -15.0 -16.9 400 99 B K - 0 0 50 -10,-0.3 -6,-0.1 -45,-0.0 5,-0.1 -0.951 30.0-101.1-117.9 143.2 22.0 -16.0 -19.6 401 100 B K > - 0 0 152 -2,-0.4 4,-2.2 1,-0.1 3,-0.3 -0.339 24.7-123.2 -68.5 141.8 22.7 -18.9 -21.9 402 101 B L H > S+ 0 0 7 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.881 113.9 46.5 -49.8 -45.6 23.9 -18.1 -25.4 403 102 B E H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.854 110.0 55.5 -67.7 -33.5 21.0 -20.1 -27.0 404 103 B H H > S+ 0 0 66 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.876 108.6 46.5 -65.5 -39.5 18.6 -18.4 -24.6 405 104 B V H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.881 112.6 49.2 -72.3 -39.0 19.6 -14.9 -25.6 406 105 B I H X S+ 0 0 8 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.956 109.6 52.9 -63.6 -49.4 19.4 -15.8 -29.3 407 106 B K H X S+ 0 0 109 -4,-2.5 4,-1.7 1,-0.2 3,-0.2 0.943 114.9 41.0 -45.4 -58.1 16.0 -17.3 -28.8 408 107 B V H X S+ 0 0 12 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.869 110.5 55.1 -65.2 -40.8 14.7 -14.1 -27.1 409 108 B A H X S+ 0 0 10 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.861 107.5 55.1 -61.3 -32.2 16.4 -11.6 -29.5 410 109 B H H >X S+ 0 0 16 -4,-2.1 4,-2.2 -3,-0.2 3,-0.9 0.983 105.8 45.7 -65.1 -59.6 14.7 -13.5 -32.3 411 110 B T H 3< S+ 0 0 60 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.658 113.4 55.3 -59.8 -14.5 11.1 -13.2 -31.1 412 111 B C H 3< S+ 0 0 19 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.818 117.5 31.1 -86.1 -33.9 11.9 -9.5 -30.3 413 112 B L H << S+ 0 0 51 -4,-1.5 -2,-0.2 -3,-0.9 -3,-0.1 0.544 133.8 32.1 -98.9 -11.7 13.0 -8.6 -33.8 414 113 B H < + 0 0 73 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.460 63.9 169.9-145.8 61.4 10.8 -11.1 -35.6 415 114 B P S S+ 0 0 82 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.782 84.4 39.9 -49.3 -29.9 7.6 -11.4 -33.5 416 115 B Q S S+ 0 0 172 -3,-0.1 -2,-0.1 2,-0.1 -5,-0.1 0.939 96.2 83.5 -88.1 -56.6 6.0 -13.3 -36.4 417 116 B E S S- 0 0 120 -7,-0.1 2,-0.3 1,-0.1 -3,-0.1 0.096 75.9-121.8 -45.1 161.3 8.8 -15.6 -37.8 418 117 B S - 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