==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-MAR-06 2GH1 . COMPND 2 MOLECULE: METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR F.FOROUHAR,H.NEELY,S.JAYARAMAN,M.CIAO,R.XIAO,T.B.ACTON, . 562 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 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 . 39 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 4 2 2 0 4 2 0 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 13 A Y > 0 0 120 0, 0.0 5,-1.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -36.5 46.6 30.7 24.4 2 14 A L T > + 0 0 61 3,-0.2 5,-1.3 4,-0.1 0, 0.0 0.831 360.0 41.0-104.7 -52.6 43.6 32.7 25.5 3 15 A K T 5S+ 0 0 120 3,-0.2 213,-0.1 4,-0.1 -1,-0.1 0.089 130.1 34.0 -84.8 24.9 43.7 32.9 29.3 4 16 A N T >5S+ 0 0 39 212,-0.1 4,-0.9 211,-0.0 5,-0.1 0.348 123.3 25.7-135.2 -86.3 47.5 33.6 28.8 5 17 A T H >>5S+ 0 0 34 2,-0.2 3,-1.6 1,-0.2 4,-1.2 0.965 127.5 43.1 -51.9 -64.1 48.8 35.5 25.8 6 18 A R H >>> - 0 0 13 -2,-0.3 4,-2.0 1,-0.1 3,-0.7 -0.861 25.0-138.9 -92.8 127.7 42.2 44.1 28.8 12 24 A D H 3> S+ 0 0 98 -2,-0.5 4,-2.1 1,-0.3 5,-0.2 0.868 103.7 56.0 -58.5 -34.4 39.0 42.7 27.3 13 25 A D H 3> S+ 0 0 38 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.847 107.0 50.5 -65.8 -31.7 37.1 45.8 28.4 14 26 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.892 108.9 49.6 -72.4 -40.1 39.6 48.0 26.5 15 27 A V H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.896 110.4 51.6 -64.7 -37.1 39.2 45.9 23.3 16 28 A S H X S+ 0 0 38 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.865 106.7 54.3 -65.3 -36.6 35.5 46.2 23.6 17 29 A F H X>S+ 0 0 8 -4,-1.6 4,-2.0 1,-0.2 5,-1.9 0.896 108.6 49.1 -63.0 -41.3 35.9 50.0 24.0 18 30 A L H <>S+ 0 0 0 -4,-2.0 5,-3.2 3,-0.2 6,-0.4 0.911 114.9 44.2 -65.4 -42.1 37.9 50.0 20.7 19 31 A V H <5S+ 0 0 0 -4,-2.3 6,-3.0 4,-0.2 -2,-0.2 0.932 126.9 26.1 -70.1 -45.9 35.2 48.0 18.9 20 32 A N H <5S+ 0 0 84 -4,-2.9 -3,-0.2 4,-0.2 -2,-0.2 0.829 133.4 25.9 -89.1 -34.4 32.1 49.8 20.2 21 33 A T T <5S+ 0 0 61 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.883 127.8 29.5 -99.7 -48.5 33.3 53.3 21.0 22 34 A V T -ab 57 99A 2 23,-3.2 25,-2.6 -2,-0.5 3,-0.9 -0.926 7.8-149.4-112.4 111.3 43.3 38.2 9.2 34 46 A Y E 3 S+ab 58 100A 2 65,-2.1 67,-0.5 -2,-0.6 25,-0.1 -0.652 84.3 5.9 -82.1 129.9 46.8 37.9 7.6 35 47 A G T 3 S+ 0 0 19 23,-1.3 -1,-0.3 -2,-0.4 66,-0.2 0.907 80.4 172.6 65.1 41.7 49.2 35.5 9.4 36 48 A C X> - 0 0 6 22,-1.6 3,-2.8 -3,-0.9 4,-0.8 0.582 14.5-166.7 -59.3 -13.6 46.3 34.6 11.7 37 49 A G T 34 S- 0 0 22 21,-0.4 -1,-0.2 1,-0.3 31,-0.1 -0.399 73.1 -15.6 58.7-125.7 48.4 31.8 13.3 38 50 A Y T 34 S- 0 0 44 -2,-0.1 -1,-0.3 -3,-0.1 33,-0.1 0.306 110.7 -85.2 -92.8 11.2 45.9 29.7 15.2 39 51 A G T X> S+ 0 0 0 -3,-2.8 4,-2.4 19,-0.1 3,-0.8 0.656 75.1 152.5 96.8 19.4 43.2 32.4 15.1 40 52 A Y H 3X S+ 0 0 17 -4,-0.8 4,-1.0 1,-0.3 5,-0.1 0.899 74.5 47.0 -46.5 -54.2 44.3 34.5 18.1 41 53 A L H 3> S+ 0 0 1 -5,-0.3 4,-2.5 1,-0.2 5,-0.3 0.788 111.2 54.1 -64.0 -25.5 42.9 37.8 16.8 42 54 A G H <> S+ 0 0 0 -3,-0.8 4,-1.6 -6,-0.2 -1,-0.2 0.899 104.7 52.5 -73.3 -41.3 39.7 36.0 15.9 43 55 A L H < S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.691 116.0 43.9 -66.7 -15.8 39.4 34.7 19.5 44 56 A V H < S+ 0 0 13 -4,-1.0 4,-0.3 -5,-0.3 -2,-0.2 0.888 123.5 27.3 -93.9 -50.5 39.8 38.3 20.6 45 57 A L H >X S+ 0 0 6 -4,-2.5 4,-1.7 2,-0.1 3,-1.3 0.871 107.0 68.0 -84.6 -39.9 37.6 40.3 18.3 46 58 A X T 3< S+ 0 0 9 -4,-1.6 3,-0.2 -5,-0.3 7,-0.2 0.864 97.0 54.6 -50.5 -43.0 34.8 37.9 17.2 47 59 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.833 115.9 40.7 -62.4 -28.1 33.3 37.7 20.7 48 60 A L T <4 S+ 0 0 50 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.659 97.1 92.2 -93.0 -19.5 33.0 41.5 20.7 49 61 A L S < S- 0 0 15 -4,-1.7 4,-0.1 -3,-0.2 3,-0.1 -0.378 92.0 -77.5 -77.4 156.1 31.9 42.1 17.0 50 62 A P > - 0 0 24 0, 0.0 3,-1.2 0, 0.0 -21,-0.3 -0.125 57.7 -93.6 -50.4 144.3 28.2 42.3 16.0 51 63 A E T 3 S+ 0 0 195 1,-0.2 26,-0.1 -23,-0.1 -5,-0.0 -0.394 112.9 39.4 -61.7 133.6 26.4 39.0 15.7 52 64 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.475 82.5 141.3 103.5 4.6 26.6 37.7 12.1 53 65 A S < - 0 0 4 -3,-1.2 25,-0.6 -7,-0.2 2,-0.4 -0.419 42.3-137.4 -78.5 156.5 30.2 38.7 11.5 54 66 A K E -ac 30 78A 69 -25,-2.2 -23,-2.6 -2,-0.1 2,-0.4 -0.952 10.1-158.5-120.5 134.6 32.5 36.5 9.5 55 67 A Y E -ac 31 79A 1 23,-2.8 25,-1.9 -2,-0.4 2,-0.4 -0.929 7.9-176.0-113.7 133.5 36.2 35.8 10.3 56 68 A T E -ac 32 80A 21 -25,-1.9 -23,-3.2 -2,-0.4 2,-0.3 -0.963 6.8-164.5-131.6 115.5 38.7 34.6 7.7 57 69 A G E -ac 33 81A 0 23,-2.8 25,-3.3 -2,-0.4 2,-0.4 -0.760 2.9-157.0-102.5 146.3 42.2 33.7 8.6 58 70 A I E +ac 34 82A 0 -25,-2.6 -22,-1.6 -2,-0.3 -23,-1.3 -0.977 29.2 131.1-124.0 129.9 45.2 33.3 6.3 59 71 A D E - c 0 83A 30 23,-2.0 25,-1.8 -2,-0.4 26,-0.1 -0.980 48.8-135.3-167.2 163.5 48.3 31.3 7.1 60 72 A S + 0 0 80 -2,-0.3 2,-0.8 23,-0.3 25,-0.1 0.652 68.6 111.0-100.2 -21.2 50.7 28.6 5.6 61 73 A G > - 0 0 22 1,-0.2 4,-2.9 23,-0.1 5,-0.2 -0.408 48.3-168.3 -59.9 103.4 51.0 26.4 8.7 62 74 A E H > S+ 0 0 138 -2,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.965 92.2 37.4 -57.5 -55.8 49.2 23.2 7.6 63 75 A T H > S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.824 114.0 61.6 -65.0 -28.8 49.2 21.8 11.1 64 76 A L H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.931 104.2 45.3 -62.2 -48.3 48.6 25.3 12.3 65 77 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.849 106.3 61.9 -65.5 -33.5 45.3 25.6 10.4 66 78 A A H X S+ 0 0 55 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.909 108.0 42.2 -58.9 -43.7 44.3 22.2 11.7 67 79 A E H X S+ 0 0 96 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.905 113.9 52.6 -70.4 -40.8 44.4 23.5 15.3 68 80 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.939 111.1 46.0 -59.2 -49.0 42.7 26.7 14.4 69 81 A R H X S+ 0 0 122 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.913 114.9 46.7 -61.0 -44.4 39.8 25.0 12.7 70 82 A E H X S+ 0 0 89 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.819 111.6 53.2 -68.4 -28.7 39.5 22.6 15.6 71 83 A L H < S+ 0 0 29 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.845 116.2 37.2 -74.7 -34.4 39.7 25.5 17.9 72 84 A F H < S+ 0 0 6 -4,-2.1 5,-0.4 -5,-0.2 -2,-0.2 0.590 96.5 81.8 -93.2 -11.8 36.9 27.4 16.2 73 85 A R H < S+ 0 0 170 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.866 97.7 44.0 -59.1 -36.6 34.8 24.3 15.4 74 86 A L S < S+ 0 0 120 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.776 99.3 89.0 -79.0 -31.1 33.4 24.5 18.9 75 87 A L S S- 0 0 54 -4,-0.4 4,-0.1 1,-0.1 -3,-0.0 -0.329 80.0-126.8 -71.9 151.6 32.8 28.3 18.9 76 88 A P S S+ 0 0 112 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.033 76.1 108.3 -86.6 31.1 29.6 30.0 17.7 77 89 A Y S S- 0 0 70 -5,-0.4 2,-0.7 -26,-0.1 -23,-0.1 -0.933 76.1-119.2-115.4 132.3 31.5 32.2 15.3 78 90 A D E +c 54 0A 95 -25,-0.6 -23,-2.8 -2,-0.4 2,-0.3 -0.542 51.8 162.0 -66.8 109.1 31.5 31.9 11.5 79 91 A S E +c 55 0A 19 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.977 20.9 178.4-136.3 147.6 35.2 31.3 10.8 80 92 A E E -c 56 0A 133 -25,-1.9 -23,-2.8 -2,-0.3 2,-0.4 -0.990 14.1-149.2-143.8 149.2 37.2 30.0 7.9 81 93 A F E -c 57 0A 8 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.983 6.1-155.6-126.1 130.3 41.0 29.5 7.3 82 94 A L E -c 58 0A 64 -25,-3.3 -23,-2.0 -2,-0.4 2,-0.5 -0.864 13.3-138.4-104.1 134.2 42.8 29.7 4.0 83 95 A E E +c 59 0A 96 -2,-0.4 -23,-0.3 -25,-0.2 2,-0.3 -0.790 54.8 87.4 -93.1 131.5 46.1 28.0 3.5 84 96 A G S S- 0 0 20 -25,-1.8 2,-0.7 -2,-0.5 -23,-0.1 -0.872 81.4 -63.3 160.5 167.9 48.7 29.9 1.6 85 97 A D >> - 0 0 79 -2,-0.3 4,-2.3 1,-0.2 3,-2.3 -0.699 37.6-151.0 -80.5 115.2 51.5 32.5 1.6 86 98 A A T 34 S+ 0 0 6 -2,-0.7 -1,-0.2 1,-0.3 -52,-0.0 0.698 94.4 63.2 -59.2 -19.6 49.9 35.7 2.9 87 99 A T T 34 S+ 0 0 49 1,-0.1 -1,-0.3 29,-0.0 -2,-0.0 0.563 121.6 17.6 -83.4 -8.7 52.6 37.6 0.8 88 100 A E T <4 S+ 0 0 143 -3,-2.3 -2,-0.2 2,-0.0 -1,-0.1 0.420 87.5 127.4-139.7 -4.1 51.2 36.2 -2.4 89 101 A I < - 0 0 36 -4,-2.3 2,-0.6 1,-0.1 -5,-0.1 -0.253 49.2-144.1 -56.8 141.9 47.7 34.9 -1.7 90 102 A E - 0 0 167 30,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.930 11.9-155.9-116.3 110.0 45.1 36.3 -4.2 91 103 A L - 0 0 37 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.614 13.2-158.7 -86.5 141.6 41.7 37.0 -2.7 92 104 A N S S+ 0 0 159 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.371 73.5 64.8 -96.8 3.9 38.6 37.1 -4.8 93 105 A D S S- 0 0 99 29,-0.0 2,-0.4 27,-0.0 -2,-0.1 -0.822 71.2-133.3-126.1 163.5 36.7 39.2 -2.2 94 106 A K - 0 0 116 -2,-0.3 2,-0.2 27,-0.0 27,-0.2 -0.947 27.7-150.0-113.6 136.6 36.8 42.6 -0.6 95 107 A Y E - d 0 121A 24 25,-2.8 27,-2.8 -2,-0.4 -64,-0.2 -0.706 22.3-130.9-110.2 160.2 36.5 42.8 3.2 96 108 A D E S+ 0 0 32 -66,-1.8 30,-2.5 1,-0.3 2,-0.3 0.830 97.9 15.2 -72.2 -34.0 35.0 45.4 5.6 97 109 A I E -bd 31 126A 6 -67,-1.5 -65,-2.1 28,-0.2 2,-0.5 -0.997 61.6-161.1-145.2 138.1 38.2 45.1 7.7 98 110 A A E +bd 32 127A 0 28,-1.9 30,-2.6 -2,-0.3 2,-0.3 -0.984 25.8 170.6-117.5 127.4 41.7 43.7 7.2 99 111 A I E -bd 33 128A 1 -67,-2.7 -65,-2.1 -2,-0.5 2,-0.3 -0.875 16.1-177.7-133.8 168.0 43.7 43.0 10.3 100 112 A C E -bd 34 129A 0 28,-1.0 30,-3.0 -2,-0.3 2,-0.4 -0.964 14.1-148.0-161.4 149.5 46.9 41.4 11.5 101 113 A H E S- d 0 130A 34 -67,-0.5 30,-0.2 -2,-0.3 -60,-0.1 -0.981 79.4 -21.3-130.2 120.4 48.6 40.7 14.8 102 114 A A S S+ 0 0 33 28,-3.6 29,-0.1 -2,-0.4 -1,-0.1 0.922 106.1 111.3 47.5 52.5 52.4 40.6 15.2 103 115 A F > + 0 0 25 27,-0.2 3,-1.6 2,-0.1 4,-0.1 0.702 60.5 57.6-118.7 -45.3 52.7 39.9 11.5 104 116 A L G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 67,-0.3 0.717 93.6 69.9 -64.4 -21.1 54.2 43.0 9.8 105 117 A L G 3 S+ 0 0 8 1,-0.3 66,-0.7 65,-0.1 -1,-0.3 0.692 97.3 52.6 -71.6 -16.0 57.3 42.8 12.1 106 118 A H G < S+ 0 0 114 -3,-1.6 2,-0.3 64,-0.2 -1,-0.3 0.348 87.7 102.8 -98.8 3.3 58.4 39.7 10.2 107 119 A X < - 0 0 29 -3,-1.3 64,-0.3 -4,-0.1 4,-0.1 -0.659 61.3-151.7 -88.5 144.2 58.2 41.2 6.7 108 120 A T S S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.682 100.2 30.2 -84.8 -17.9 61.3 42.3 4.9 109 121 A T S >> S+ 0 0 64 1,-0.1 4,-1.5 2,-0.0 3,-0.9 -0.585 70.4 175.0-140.5 73.6 59.2 44.9 3.1 110 122 A P H 3> S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.822 76.7 60.5 -46.3 -44.6 56.3 46.0 5.4 111 123 A E H 3> S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.881 104.9 48.2 -56.0 -42.9 55.1 48.7 3.0 112 124 A T H <> S+ 0 0 88 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.934 111.0 49.1 -65.3 -47.0 54.4 46.1 0.3 113 125 A X H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.868 111.7 50.5 -60.5 -37.6 52.5 43.7 2.5 114 126 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.922 105.7 55.4 -66.3 -43.1 50.4 46.6 3.8 115 127 A Q H X S+ 0 0 74 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.901 108.6 50.1 -54.7 -42.4 49.7 47.7 0.2 116 128 A K H X S+ 0 0 57 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.960 109.6 48.0 -62.2 -53.8 48.3 44.2 -0.3 117 129 A X H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-0.4 0.929 110.4 53.7 -52.6 -47.5 46.1 44.1 2.8 118 130 A I H >< S+ 0 0 16 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.910 103.5 56.1 -54.1 -46.6 44.7 47.5 1.8 119 131 A H H 3< S+ 0 0 116 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.685 102.4 56.3 -62.4 -17.8 43.8 46.2 -1.7 120 132 A S T << S+ 0 0 8 -3,-1.4 -25,-2.8 -4,-0.9 2,-0.4 0.485 92.6 91.1 -91.5 -2.6 41.7 43.5 -0.1 121 133 A V E < S-d 95 0A 5 -3,-2.1 -25,-0.2 -4,-0.4 2,-0.1 -0.749 76.7-126.1 -95.6 139.0 39.7 46.1 1.8 122 134 A K E > - 0 0 80 -27,-2.8 3,-2.7 -2,-0.4 157,-0.3 -0.440 42.1 -79.5 -80.5 155.6 36.5 47.6 0.3 123 135 A K E 3 S+ 0 0 155 1,-0.3 158,-0.2 -2,-0.1 157,-0.2 -0.286 123.2 22.3 -54.3 130.3 36.0 51.3 -0.1 124 136 A G E 3 S+ 0 0 32 155,-2.6 -1,-0.3 1,-0.3 156,-0.1 0.333 101.8 125.6 91.4 -7.1 35.0 52.8 3.3 125 137 A G E < - 0 0 3 -3,-2.7 154,-2.8 154,-0.2 -1,-0.3 -0.167 53.8-123.4 -78.4 176.5 36.5 49.8 5.0 126 138 A K E -dE 97 278A 43 -30,-2.5 -28,-1.9 152,-0.2 2,-0.4 -0.812 6.5-149.3-122.3 159.3 39.2 49.8 7.8 127 139 A I E -dE 98 277A 0 150,-2.0 150,-1.6 -2,-0.3 2,-0.4 -1.000 15.6-171.6-127.5 128.3 42.6 48.4 8.3 128 140 A I E -dE 99 276A 2 -30,-2.6 -28,-1.0 -2,-0.4 2,-0.5 -0.989 1.0-171.0-123.3 128.1 43.7 47.4 11.8 129 141 A C E -dE 100 275A 0 146,-3.2 146,-2.4 -2,-0.4 2,-0.8 -0.978 10.3-165.4-123.9 124.3 47.2 46.4 12.7 130 142 A F E +dE 101 274A 0 -30,-3.0 -28,-3.6 -2,-0.5 144,-0.2 -0.862 31.3 156.6-105.7 94.0 48.3 45.0 16.1 131 143 A E E - E 0 273A 0 142,-2.2 142,-2.1 -2,-0.8 2,-0.1 -0.920 35.0-121.1-123.4 148.6 52.1 45.2 16.0 132 144 A P - 0 0 13 0, 0.0 43,-2.1 0, 0.0 2,-0.3 -0.308 3.6-151.5 -83.7 167.9 54.6 45.4 18.8 133 145 A H > - 0 0 3 137,-0.4 4,-2.1 42,-0.2 3,-0.5 -0.748 13.8-169.5-138.2 81.3 57.3 48.1 19.7 134 146 A W H > S+ 0 0 99 38,-2.7 4,-2.9 -2,-0.3 5,-0.3 0.828 79.7 55.5 -44.3 -46.9 60.0 46.1 21.4 135 147 A I H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 112.2 40.9 -59.7 -47.4 62.0 49.1 22.6 136 148 A S H 4 S+ 0 0 0 -3,-0.5 4,-0.4 285,-0.3 -1,-0.2 0.826 113.8 57.5 -68.8 -27.8 59.1 50.7 24.5 137 149 A N H >< S+ 0 0 22 -4,-2.1 3,-1.2 2,-0.2 132,-0.3 0.951 107.6 45.0 -64.0 -51.0 58.1 47.2 25.7 138 150 A X H 3< S+ 0 0 46 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.862 109.5 55.7 -61.6 -38.2 61.5 46.6 27.3 139 151 A A T 3< S+ 0 0 0 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.3 0.605 93.5 75.5 -71.9 -9.5 61.5 50.0 28.9 140 152 A S S < S+ 0 0 0 -3,-1.2 129,-1.8 -4,-0.4 2,-0.4 -0.268 71.7 109.4 -99.9 48.5 58.2 49.1 30.5 141 153 A Y E +G 268 0B 10 -3,-0.4 2,-0.4 -2,-0.4 127,-0.2 -0.963 38.0 178.0-124.0 140.7 59.5 46.8 33.2 142 154 A L E -G 267 0B 16 125,-1.4 125,-2.4 -2,-0.4 2,-0.6 -0.948 3.1-176.4-145.1 117.2 59.7 47.4 36.9 143 155 A L E > -G 266 0B 6 3,-0.4 3,-2.3 -2,-0.4 123,-0.2 -0.946 28.7-127.2-118.5 109.0 61.0 44.8 39.4 144 156 A D T 3 S+ 0 0 79 121,-2.2 121,-0.3 -2,-0.6 3,-0.1 -0.304 95.6 24.4 -55.6 128.0 60.8 45.8 43.0 145 157 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 119,-0.1 -1,-0.3 0.257 112.2 76.9 100.7 -11.4 64.2 45.4 44.6 146 158 A E S < S- 0 0 54 -3,-2.3 -3,-0.4 5,-0.0 2,-0.3 -0.979 78.4-120.3-133.5 145.8 66.2 45.8 41.5 147 159 A K >> - 0 0 83 -2,-0.4 3,-2.2 1,-0.1 4,-0.8 -0.675 26.4-127.1 -82.3 136.5 67.2 48.7 39.3 148 160 A Q H >> S+ 0 0 20 -2,-0.3 4,-1.8 1,-0.3 3,-1.1 0.881 109.5 59.1 -50.1 -44.3 65.9 48.4 35.8 149 161 A S H 34 S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.2 292,-0.1 0.689 96.5 65.8 -60.3 -18.3 69.4 49.0 34.4 150 162 A E H <4 S+ 0 0 96 -3,-2.2 -1,-0.3 1,-0.2 105,-0.2 0.869 119.2 17.5 -72.2 -38.4 70.6 45.9 36.3 151 163 A F H << S+ 0 0 6 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.397 127.9 49.5-116.8 2.6 68.5 43.5 34.3 152 164 A I < - 0 0 2 -4,-1.8 2,-1.2 -5,-0.2 -1,-0.2 -0.903 58.9-163.4-145.6 112.6 67.7 45.5 31.2 153 165 A Q > - 0 0 38 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 -0.731 10.9-179.2 -95.0 85.4 70.3 47.3 29.2 154 166 A L H > S+ 0 0 0 -2,-1.2 4,-2.7 1,-0.2 283,-0.2 0.859 79.2 55.5 -53.6 -40.1 68.1 49.7 27.2 155 167 A G H > S+ 0 0 19 281,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.944 111.1 42.0 -59.6 -50.4 71.1 51.1 25.4 156 168 A V H > S+ 0 0 8 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.944 116.7 48.6 -62.5 -48.0 72.4 47.8 24.1 157 169 A L H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.871 108.4 54.9 -59.8 -38.6 68.9 46.6 23.2 158 170 A Q H X S+ 0 0 3 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.911 113.7 40.5 -62.6 -41.8 68.2 49.9 21.4 159 171 A K H X S+ 0 0 76 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.895 114.4 54.4 -71.9 -41.6 71.4 49.4 19.2 160 172 A L H X S+ 0 0 6 -4,-3.1 4,-2.4 1,-0.2 3,-0.3 0.964 110.0 43.9 -57.1 -57.1 70.6 45.7 18.8 161 173 A F H X S+ 0 0 20 -4,-2.7 4,-1.7 1,-0.2 11,-0.3 0.855 111.9 54.1 -59.0 -36.5 67.1 46.1 17.5 162 174 A E H X S+ 0 0 30 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.879 109.6 49.4 -66.0 -34.9 68.2 48.9 15.2 163 175 A S H X S+ 0 0 29 -4,-2.1 4,-1.5 -3,-0.3 3,-0.3 0.964 105.7 53.6 -68.1 -53.4 70.9 46.6 13.8 164 176 A D H ><>S+ 0 0 15 -4,-2.4 5,-1.0 1,-0.3 3,-0.6 0.896 110.0 49.3 -48.2 -45.4 68.6 43.6 13.1 165 177 A T H 3<5S+ 0 0 37 -4,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.892 104.5 59.1 -61.9 -40.4 66.3 45.9 11.1 166 178 A Q H 3<5S+ 0 0 129 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.814 115.4 37.1 -58.0 -31.6 69.3 47.2 9.2 167 179 A R T <<5S+ 0 0 117 -4,-1.5 -2,-0.1 -3,-0.6 -3,-0.1 0.748 129.8 12.4 -85.6-107.6 70.0 43.6 8.1 168 180 A N T 5S- 0 0 68 -4,-0.3 -3,-0.2 1,-0.2 -2,-0.1 0.690 97.5-118.4 -44.8 -26.7 67.1 41.2 7.2 169 181 A G < + 0 0 20 -5,-1.0 -4,-0.2 1,-0.4 -1,-0.2 0.212 66.1 141.2 103.3 -16.1 64.7 44.2 7.2 170 182 A K - 0 0 76 -6,-0.3 2,-0.6 -64,-0.1 -1,-0.4 -0.391 38.3-153.5 -62.5 134.8 62.6 42.8 10.1 171 183 A D > - 0 0 6 -66,-0.7 3,-1.5 -64,-0.3 4,-0.1 -0.901 20.9-177.1-120.5 106.0 61.4 45.6 12.5 172 184 A G T 3 S+ 0 0 6 -2,-0.6 -38,-2.7 1,-0.3 3,-0.2 0.576 93.9 48.8 -72.7 -8.5 60.7 44.7 16.1 173 185 A N T > S+ 0 0 15 -40,-0.3 3,-1.3 -39,-0.1 4,-0.3 0.089 73.1 116.3-116.0 22.5 59.7 48.3 16.5 174 186 A I G X> + 0 0 0 -3,-1.5 4,-1.5 1,-0.3 3,-1.5 0.726 54.8 84.6 -64.0 -20.9 57.4 48.5 13.4 175 187 A G G 34 S+ 0 0 0 -43,-2.1 -1,-0.3 1,-0.3 -42,-0.2 0.776 93.5 41.9 -53.2 -31.4 54.4 49.1 15.7 176 188 A X G <4 S+ 0 0 0 -3,-1.3 4,-0.3 -44,-0.2 -1,-0.3 0.538 110.5 59.1 -94.9 -5.5 55.1 52.9 15.8 177 189 A K T X> S+ 0 0 39 -3,-1.5 4,-2.3 -4,-0.3 3,-0.7 0.690 79.9 84.9 -92.9 -22.8 55.9 53.0 12.1 178 190 A I H 3X S+ 0 0 0 -4,-1.5 4,-3.0 1,-0.3 5,-0.2 0.862 86.9 56.2 -48.4 -41.6 52.5 51.6 10.9 179 191 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.928 109.2 46.3 -58.0 -43.9 51.1 55.2 11.0 180 192 A I H <> S+ 0 0 2 -3,-0.7 4,-2.4 -4,-0.3 5,-0.2 0.942 114.4 45.6 -65.1 -48.8 53.8 56.4 8.7 181 193 A Y H X S+ 0 0 32 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.924 112.3 52.4 -60.8 -43.0 53.5 53.6 6.2 182 194 A L H <>S+ 0 0 0 -4,-3.0 5,-2.2 -5,-0.3 -1,-0.2 0.885 109.5 50.4 -60.3 -37.7 49.7 53.9 6.3 183 195 A S H ><5S+ 0 0 10 -4,-2.0 3,-2.3 -5,-0.2 -2,-0.2 0.945 107.3 50.9 -65.9 -50.3 50.0 57.6 5.5 184 196 A E H 3<5S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 107.6 57.5 -58.5 -27.1 52.4 57.2 2.5 185 197 A L T 3<5S- 0 0 47 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.415 118.7-110.9 -85.3 1.7 49.8 54.6 1.2 186 198 A G T < 5 + 0 0 35 -3,-2.3 94,-0.4 1,-0.2 -3,-0.2 0.633 58.7 159.8 82.3 13.3 47.0 57.2 1.3 187 199 A V < - 0 0 11 -5,-2.2 3,-0.3 92,-0.1 2,-0.3 -0.404 30.4-136.6 -68.0 147.0 44.9 55.7 4.1 188 200 A K E S+F 278 0A 93 90,-3.2 90,-3.5 1,-0.2 -1,-0.1 -0.729 72.3 18.3-108.2 158.1 42.5 58.2 5.7 189 201 A N E S- 0 0 119 -2,-0.3 -1,-0.2 88,-0.2 2,-0.1 0.899 80.4-171.5 53.0 44.8 41.6 59.0 9.4 190 202 A I E + 0 0 22 -3,-0.3 2,-0.3 87,-0.1 87,-0.2 -0.408 10.5 167.4 -68.8 140.6 44.8 57.3 10.6 191 203 A E E -F 276 0A 62 85,-2.4 85,-2.4 -2,-0.1 2,-0.4 -0.983 20.4-155.1-156.5 143.4 45.1 56.8 14.3 192 204 A C E -F 275 0A 3 288,-0.4 288,-0.4 -2,-0.3 2,-0.3 -0.958 11.0-177.9-125.5 141.6 47.3 54.9 16.7 193 205 A R E -F 274 0A 6 81,-2.7 81,-3.6 -2,-0.4 2,-0.4 -0.966 21.6-132.6-134.8 151.9 46.6 53.7 20.2 194 206 A V E -F 273 0A 0 284,-1.6 79,-0.2 -2,-0.3 2,-0.2 -0.862 34.9-109.0-101.6 136.5 48.6 51.8 22.9 195 207 A S - 0 0 2 77,-2.3 76,-0.3 -2,-0.4 77,-0.1 -0.486 25.2-139.9 -62.0 130.9 46.9 48.9 24.6 196 208 A D + 0 0 0 -2,-0.2 280,-1.6 -185,-0.1 -1,-0.2 0.481 57.2 133.6 -74.4 0.9 46.2 50.2 28.1 197 209 A K + 0 0 36 -188,-0.4 74,-0.5 278,-0.2 2,-0.4 -0.231 28.2 174.4 -59.9 131.7 47.2 46.8 29.6 198 210 A V - 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0 0 12 0, 0.0 43,-2.1 0, 0.0 2,-0.3 -0.324 3.5-151.6 -83.5 167.4 54.6 59.5 34.4 415 145 B H >> - 0 0 3 137,-0.4 4,-2.1 42,-0.2 3,-0.5 -0.745 13.9-169.6-137.1 80.7 57.3 56.9 33.6 416 146 B W H 3> S+ 0 0 100 38,-2.7 4,-2.9 -2,-0.3 5,-0.3 0.826 79.7 55.2 -42.7 -48.3 60.0 58.9 31.9 417 147 B I H 3> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 112.3 41.0 -59.1 -47.3 62.0 55.9 30.7 418 148 B S H <4 S+ 0 0 0 -3,-0.5 4,-0.4 -279,-0.3 -1,-0.2 0.819 113.9 57.6 -69.6 -26.3 59.1 54.3 28.8 419 149 B N H >< S+ 0 0 22 -4,-2.1 3,-1.2 2,-0.2 132,-0.3 0.954 107.5 44.7 -65.1 -51.4 58.1 57.8 27.6 420 150 B X H 3< S+ 0 0 46 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.863 109.4 56.1 -61.7 -38.4 61.5 58.4 26.0 421 151 B A T 3< S+ 0 0 0 -4,-1.9 2,-0.4 -5,-0.3 -285,-0.3 0.611 93.3 75.4 -70.9 -10.1 61.5 55.0 24.4 422 152 B S S < S+ 0 0 0 -3,-1.2 129,-1.8 -4,-0.4 2,-0.4 -0.263 71.8 109.4 -99.5 48.0 58.2 55.8 22.8 423 153 B Y E +O 550 0D 10 -3,-0.4 2,-0.4 -2,-0.4 127,-0.2 -0.963 37.8 177.7-123.9 140.6 59.5 58.1 20.1 424 154 B L E -O 549 0D 15 125,-1.4 125,-2.4 -2,-0.4 2,-0.5 -0.954 3.2-176.3-145.4 118.4 59.7 57.5 16.4 425 155 B L E > -O 548 0D 6 3,-0.4 3,-2.2 -2,-0.4 123,-0.2 -0.948 28.6-127.3-120.0 109.2 61.0 60.1 13.9 426 156 B D T 3 S+ 0 0 79 121,-2.2 121,-0.3 -2,-0.5 3,-0.1 -0.304 95.6 24.6 -56.1 128.5 60.8 59.1 10.3 427 157 B G T 3 S+ 0 0 67 1,-0.2 2,-0.4 119,-0.1 -1,-0.3 0.255 112.2 76.4 100.5 -11.9 64.2 59.5 8.6 428 158 B E S < S- 0 0 54 -3,-2.2 -3,-0.4 5,-0.0 2,-0.4 -0.978 78.6-120.1-133.2 146.2 66.2 59.2 11.8 429 159 B K >> - 0 0 83 -2,-0.4 3,-2.2 1,-0.1 4,-0.8 -0.681 26.4-127.1 -82.4 136.6 67.2 56.2 13.9 430 160 B Q H >> S+ 0 0 20 -2,-0.4 4,-1.8 1,-0.3 3,-1.1 0.885 109.5 59.1 -50.0 -44.9 65.9 56.6 17.5 431 161 B S H 34 S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.2 -272,-0.1 0.688 96.6 65.7 -59.7 -18.1 69.5 56.0 18.9 432 162 B E H <4 S+ 0 0 96 -3,-2.2 -1,-0.3 1,-0.2 105,-0.2 0.872 119.1 17.7 -72.4 -38.8 70.6 59.0 16.9 433 163 B F H << S+ 0 0 6 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.393 127.9 49.3-116.5 3.1 68.5 61.5 18.9 434 164 B I < - 0 0 2 -4,-1.8 2,-1.2 -5,-0.2 -1,-0.2 -0.895 58.9-163.2-146.1 112.1 67.7 59.5 22.0 435 165 B Q > - 0 0 39 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 -0.734 11.1-179.0 -94.3 86.0 70.3 57.6 24.1 436 166 B L H > S+ 0 0 0 -2,-1.2 4,-2.7 1,-0.2 -281,-0.2 0.852 79.2 55.2 -54.2 -39.4 68.1 55.3 26.1 437 167 B G H > S+ 0 0 19 -283,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 111.1 42.3 -60.2 -51.1 71.1 53.8 27.9 438 168 B V H > S+ 0 0 8 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.942 116.5 48.5 -61.8 -48.0 72.4 57.2 29.1 439 169 B L H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.873 108.5 54.8 -59.5 -38.7 68.9 58.3 30.1 440 170 B Q H X S+ 0 0 3 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.911 113.7 40.6 -62.7 -41.5 68.2 55.1 31.9 441 171 B K H X S+ 0 0 77 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.898 114.4 54.2 -71.9 -41.9 71.4 55.6 34.0 442 172 B L H X S+ 0 0 6 -4,-3.1 4,-2.4 1,-0.2 3,-0.3 0.963 110.0 43.9 -57.1 -56.9 70.6 59.3 34.4 443 173 B F H X S+ 0 0 20 -4,-2.8 4,-1.7 1,-0.2 11,-0.3 0.853 111.9 54.2 -59.6 -35.3 67.1 58.9 35.8 444 174 B E H X S+ 0 0 30 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.879 109.6 49.3 -67.1 -34.7 68.2 56.1 38.1 445 175 B S H X S+ 0 0 28 -4,-2.1 4,-1.5 -3,-0.3 3,-0.3 0.962 105.7 53.7 -68.3 -52.9 70.9 58.4 39.5 446 176 B D H ><>S+ 0 0 15 -4,-2.4 5,-1.0 1,-0.3 3,-0.6 0.896 110.0 49.3 -48.5 -45.3 68.6 61.3 40.2 447 177 B T H 3<5S+ 0 0 37 -4,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.893 104.5 59.2 -61.8 -40.7 66.3 59.1 42.2 448 178 B Q H 3<5S+ 0 0 129 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.811 115.4 37.1 -58.0 -31.2 69.3 57.8 44.1 449 179 B R T <<5S+ 0 0 117 -4,-1.5 -2,-0.1 -3,-0.6 -3,-0.1 0.746 129.7 12.5 -86.2-107.6 70.0 61.3 45.2 450 180 B N T 5S- 0 0 68 -4,-0.2 -3,-0.2 1,-0.2 -2,-0.1 0.689 97.5-118.4 -44.8 -26.6 67.1 63.7 46.0 451 181 B G < + 0 0 20 -5,-1.0 -4,-0.2 1,-0.4 -1,-0.2 0.210 66.1 141.1 103.2 -16.2 64.7 60.8 46.0 452 182 B K - 0 0 76 -6,-0.3 2,-0.6 -64,-0.1 -1,-0.4 -0.391 38.2-153.9 -62.5 134.3 62.6 62.2 43.1 453 183 B D > - 0 0 5 -66,-0.7 3,-1.5 -64,-0.3 4,-0.1 -0.901 20.9-177.3-120.0 105.9 61.4 59.4 40.8 454 184 B G T 3 S+ 0 0 6 -2,-0.6 -38,-2.7 1,-0.3 3,-0.2 0.564 93.9 49.2 -73.2 -7.5 60.7 60.2 37.2 455 185 B N T > S+ 0 0 15 -40,-0.3 3,-1.3 -12,-0.1 4,-0.4 0.083 73.0 116.0-116.2 22.1 59.7 56.6 36.8 456 186 B I G X> + 0 0 0 -3,-1.5 4,-1.4 1,-0.3 3,-1.4 0.720 54.8 84.7 -63.7 -20.8 57.4 56.5 39.8 457 187 B G G 34 S+ 0 0 0 -43,-2.1 -1,-0.3 1,-0.3 -42,-0.2 0.784 93.5 41.6 -53.2 -32.6 54.5 55.8 37.6 458 188 B X G <4 S+ 0 0 0 -3,-1.3 4,-0.3 -44,-0.2 -1,-0.3 0.554 110.5 59.4 -93.6 -6.3 55.1 52.1 37.5 459 189 B K T X> S+ 0 0 39 -3,-1.4 4,-2.3 -4,-0.4 3,-0.6 0.683 79.9 84.7 -91.7 -22.2 55.9 52.0 41.2 460 190 B I H 3X S+ 0 0 0 -4,-1.4 4,-3.0 1,-0.3 5,-0.2 0.866 86.9 56.0 -49.1 -42.3 52.5 53.3 42.4 461 191 B P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.924 109.3 46.6 -57.9 -43.4 51.0 49.8 42.3 462 192 B I H <> S+ 0 0 2 -3,-0.6 4,-2.5 -4,-0.3 5,-0.2 0.941 114.2 45.5 -64.8 -49.1 53.8 48.5 44.6 463 193 B Y H X S+ 0 0 32 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.924 112.3 52.5 -61.1 -42.3 53.5 51.4 47.1 464 194 B L H <>S+ 0 0 0 -4,-3.0 5,-2.3 -5,-0.3 -1,-0.2 0.876 109.3 50.7 -61.1 -36.3 49.7 51.0 47.0 465 195 B S H ><5S+ 0 0 10 -4,-1.9 3,-2.3 -5,-0.2 -2,-0.2 0.950 107.2 50.6 -66.8 -50.6 50.1 47.3 47.7 466 196 B E H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 107.6 57.5 -58.2 -27.9 52.4 47.8 50.7 467 197 B L T 3<5S- 0 0 48 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.416 118.6-110.9 -84.7 1.8 49.8 50.3 52.0 468 198 B G T < 5 + 0 0 35 -3,-2.3 94,-0.4 1,-0.2 -3,-0.2 0.641 58.7 159.9 81.8 14.0 47.0 47.8 52.0 469 199 B V < - 0 0 11 -5,-2.3 3,-0.3 92,-0.1 2,-0.3 -0.415 30.4-136.7 -68.4 146.8 45.0 49.2 49.1 470 200 B K E S+N 560 0C 93 90,-3.1 90,-3.5 1,-0.2 -1,-0.1 -0.718 72.3 18.4-107.5 158.6 42.5 46.7 47.5 471 201 B N E S- 0 0 118 -2,-0.3 -1,-0.2 88,-0.2 2,-0.1 0.898 80.5-171.5 52.5 45.1 41.6 45.9 43.9 472 202 B I E + 0 0 22 -3,-0.3 2,-0.3 87,-0.1 87,-0.2 -0.413 10.6 167.5 -69.3 140.0 44.8 47.7 42.7 473 203 B E E -N 558 0C 62 85,-2.5 85,-2.4 -2,-0.1 2,-0.4 -0.982 20.3-155.3-155.5 143.1 45.1 48.1 38.9 474 204 B C E -N 557 0C 3 -276,-0.4 -276,-0.5 -2,-0.3 2,-0.3 -0.955 11.1-178.0-124.6 142.0 47.3 50.1 36.5 475 205 B R E -N 556 0C 6 81,-2.7 81,-3.6 -2,-0.4 2,-0.4 -0.963 21.7-132.7-135.1 151.8 46.6 51.3 33.0 476 206 B V E -N 555 0C 0 -280,-1.6 79,-0.2 -2,-0.3 2,-0.2 -0.869 34.9-109.0-102.1 136.2 48.6 53.2 30.4 477 207 B S - 0 0 2 77,-2.3 76,-0.3 -2,-0.4 77,-0.1 -0.480 25.2-139.6 -61.3 131.1 46.9 56.1 28.7 478 208 B D + 0 0 0 -2,-0.2 -284,-1.6 -185,-0.1 -1,-0.2 0.469 57.4 133.7 -74.9 1.5 46.2 54.8 25.1 479 209 B K + 0 0 36 -188,-0.4 74,-0.5 -286,-0.2 2,-0.4 -0.233 28.0 174.0 -60.3 132.5 47.2 58.1 23.7 480 210 B V - 0 0 10 -288,-0.4 -288,-0.4 71,-0.2 2,-0.3 -0.962 19.5-147.4-140.4 117.8 49.6 58.3 20.7 481 211 B N E -P 550 0D 7 69,-3.5 69,-2.5 -2,-0.4 2,-0.4 -0.700 12.0-166.2 -86.6 138.9 50.3 61.6 19.0 482 212 B F E -P 549 0D 23 -2,-0.3 2,-1.2 67,-0.2 67,-0.2 -0.886 11.9-163.2-131.6 101.5 51.0 61.4 15.2 483 213 B L E -P 548 0D 1 65,-3.1 65,-1.6 -2,-0.4 2,-0.8 -0.747 25.0-153.8 -83.3 100.2 52.6 64.4 13.5 484 214 B D > - 0 0 9 -2,-1.2 3,-2.1 63,-0.2 63,-0.2 -0.713 16.9-159.4 -86.5 106.9 51.6 63.3 10.0 485 215 B S T 3 S+ 0 0 40 -2,-0.8 -1,-0.1 1,-0.3 62,-0.1 0.659 95.4 49.0 -57.5 -16.2 53.9 64.6 7.3 486 216 B N T 3 S+ 0 0 82 -306,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.458 88.2 94.4-103.7 -3.1 51.1 64.0 4.8 487 217 B X < - 0 0 74 -3,-2.1 2,-0.5 2,-0.0 -304,-0.0 -0.793 52.0-173.7 -89.7 127.5 48.3 65.6 6.7 488 218 B H + 0 0 153 -2,-0.5 2,-0.3 4,-0.1 -3,-0.1 -0.758 40.0 107.4-124.1 85.0 47.8 69.3 5.6 489 219 B H S >> S- 0 0 102 -2,-0.5 4,-1.5 1,-0.0 3,-0.8 -0.952 81.4-101.0-151.6 161.7 45.2 70.8 7.9 490 220 B N H 3> S+ 0 0 112 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.794 118.2 64.4 -60.2 -26.9 45.3 73.3 10.8 491 221 B D H 3> S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 100.4 49.7 -64.3 -39.6 45.1 70.3 13.2 492 222 B K H <> S+ 0 0 10 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.934 113.0 47.2 -65.2 -41.8 48.5 69.1 12.1 493 223 B N H X S+ 0 0 63 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.939 111.3 51.4 -63.6 -45.1 49.9 72.6 12.6 494 224 B D H X S+ 0 0 80 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.854 107.5 53.3 -60.3 -36.0 48.2 72.9 16.0 495 225 B L H X S+ 0 0 32 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.953 107.4 50.4 -64.0 -48.9 49.7 69.6 17.1 496 226 B Y H X S+ 0 0 47 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.898 110.4 50.6 -54.8 -44.2 53.3 70.7 16.1 497 227 B Q H X S+ 0 0 101 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 111.8 47.1 -60.8 -44.5 52.7 73.9 18.1 498 228 B S H X S+ 0 0 9 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.926 109.9 53.6 -63.9 -44.7 51.6 71.9 21.1 499 229 B L H ><>S+ 0 0 1 -4,-3.0 5,-1.7 1,-0.2 3,-0.6 0.912 112.5 43.8 -56.8 -44.8 54.5 69.5 20.8 500 230 B K H ><5S+ 0 0 59 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.874 106.5 59.0 -71.6 -36.2 57.0 72.4 20.8 501 231 B E H 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.687 102.3 57.2 -66.3 -14.2 55.3 74.3 23.7 502 232 B E T <<5S- 0 0 66 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.563 121.9-108.1 -89.6 -11.8 55.9 71.1 25.8 503 233 B G T X 5 + 0 0 49 -3,-1.7 3,-1.3 -4,-0.3 -3,-0.2 0.531 58.1 164.3 98.3 6.7 59.6 71.3 25.1 504 234 B I T 3 - 0 0 86 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.274 67.2-145.6 -52.6 121.4 75.6 75.8 25.6 511 241 B K H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.927 95.0 49.4 -56.3 -51.0 77.5 72.6 25.1 512 242 B Q H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 111.5 47.5 -57.0 -51.6 79.9 73.0 28.1 513 243 B Q H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 111.9 52.8 -56.9 -40.5 77.1 73.9 30.6 514 244 B F H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.971 110.7 44.3 -60.4 -56.7 75.1 70.9 29.4 515 245 B V H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.931 116.4 46.9 -55.7 -48.6 77.9 68.4 29.8 516 246 B E H X S+ 0 0 107 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.948 109.9 52.4 -59.2 -51.0 78.9 69.7 33.2 517 247 B R H < S+ 0 0 117 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.875 113.5 44.8 -53.9 -40.1 75.3 69.9 34.5 518 248 B L H ><>S+ 0 0 9 -4,-2.2 3,-2.0 -5,-0.2 5,-1.4 0.897 108.6 55.6 -72.2 -41.0 74.8 66.3 33.5 519 249 B I H ><5S+ 0 0 70 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.889 101.9 58.7 -58.1 -38.5 78.1 65.1 34.9 520 250 B A T 3<5S+ 0 0 81 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.594 100.8 58.9 -67.2 -9.4 77.1 66.6 38.2 521 251 B R T < 5S- 0 0 72 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.431 132.0 -83.5-100.5 0.3 74.1 64.3 38.1 522 252 B G T < 5S+ 0 0 57 -3,-1.8 -3,-0.2 1,-0.4 2,-0.2 0.396 89.1 121.9 116.4 -1.5 76.1 61.1 37.9 523 253 B L < - 0 0 9 -5,-1.4 -1,-0.4 -8,-0.1 -2,-0.1 -0.545 56.7-120.6 -93.8 160.4 77.0 60.7 34.3 524 254 B T > - 0 0 70 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.251 31.4-102.2 -86.3 179.9 80.4 60.5 32.8 525 255 B Y H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.885 121.2 47.6 -73.0 -37.7 81.9 62.9 30.2 526 256 B D H > S+ 0 0 117 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.931 113.4 46.8 -68.2 -46.3 81.3 60.5 27.3 527 257 B N H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.922 114.1 48.7 -60.3 -44.7 77.7 59.7 28.3 528 258 B A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.876 112.2 48.5 -63.4 -39.2 77.0 63.4 28.8 529 259 B L H X S+ 0 0 26 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.929 110.1 50.5 -67.0 -46.0 78.5 64.3 25.4 530 260 B A H X S+ 0 0 30 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.850 110.8 51.9 -59.3 -34.4 76.5 61.5 23.6 531 261 B Q H X S+ 0 0 6 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.907 108.9 49.3 -68.4 -44.0 73.5 63.0 25.4 532 262 B Y H X S+ 0 0 29 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.966 111.3 47.1 -59.4 -56.4 74.2 66.5 24.1 533 263 B E H X S+ 0 0 112 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.818 112.0 53.9 -56.3 -31.6 74.8 65.5 20.5 534 264 B A H X S+ 0 0 1 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.952 110.9 42.5 -69.0 -50.8 71.5 63.5 20.8 535 265 B E H X S+ 0 0 68 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.857 114.5 53.5 -63.8 -34.1 69.4 66.4 22.0 536 266 B L H X S+ 0 0 43 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.939 108.0 49.6 -64.6 -47.3 71.1 68.6 19.4 537 267 B R H X S+ 0 0 113 -4,-2.4 4,-1.9 -105,-0.2 -2,-0.2 0.906 111.0 48.9 -57.6 -45.6 70.3 66.2 16.6 538 268 B F H X S+ 0 0 14 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.931 109.9 52.2 -61.9 -45.8 66.6 66.0 17.7 539 269 B F H < S+ 0 0 76 -4,-2.3 -1,-0.2 -33,-0.3 -2,-0.2 0.889 115.6 41.1 -57.4 -41.3 66.5 69.8 17.9 540 270 B K H < S+ 0 0 153 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.716 117.6 48.4 -81.6 -19.6 67.8 70.1 14.4 541 271 B A H < S+ 0 0 12 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.846 91.9 80.4 -90.4 -36.9 65.8 67.2 13.0 542 272 B L < + 0 0 8 -4,-2.7 2,-0.3 -5,-0.2 -117,-0.0 -0.564 54.4 141.0 -79.6 130.5 62.2 67.9 14.2 543 273 B H > - 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