==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN/CELL CYCLE 05-JUN-02 1GZS . COMPND 2 MOLECULE: SOPE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR G.BUCHWALD,A.FRIEBEL,J.E.GALAN,W.D.HARDT,A.WITTINGHOFER, . 685 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 500 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 38 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 4 2 4 2 1 3 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 0 0 2 1 1 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 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 97 0, 0.0 2,-0.3 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 -55.2 -20.7 62.1 77.4 2 2 A Q E -a 51 0A 92 48,-2.0 50,-1.6 287,-0.1 2,-0.3 -0.749 360.0-155.8-101.7 153.2 -17.9 62.1 74.8 3 3 A T E -a 52 0A 41 -2,-0.3 2,-0.4 48,-0.2 50,-0.2 -0.925 15.1-166.3-131.5 156.4 -18.5 61.6 71.1 4 4 A I E -a 53 0A 4 48,-1.9 50,-3.2 -2,-0.3 2,-0.7 -0.980 13.5-152.5-138.9 122.2 -16.5 60.4 68.1 5 5 A K E -a 54 0A 19 -2,-0.4 71,-2.2 69,-0.3 72,-1.6 -0.882 15.6-177.2-101.9 114.4 -17.9 61.0 64.6 6 6 A C E -ab 55 77A 0 48,-3.3 50,-2.1 -2,-0.7 2,-0.5 -0.942 6.1-164.6-114.3 127.8 -16.8 58.4 62.0 7 7 A V E -ab 56 78A 0 70,-1.7 72,-2.4 -2,-0.5 2,-0.6 -0.948 9.4-148.0-116.8 127.9 -17.7 58.7 58.3 8 8 A V E + b 0 79A 0 48,-2.5 50,-0.3 -2,-0.5 2,-0.3 -0.825 26.6 171.2 -97.0 114.9 -17.4 55.8 55.9 9 9 A V E + b 0 80A 0 70,-2.4 72,-3.2 -2,-0.6 2,-0.2 -0.768 15.5 99.7-121.1 167.2 -16.6 56.9 52.3 10 10 A G E - b 0 81A 0 -2,-0.3 72,-0.1 70,-0.2 4,-0.1 -0.673 68.3 -38.9 139.1 166.2 -15.6 55.2 49.1 11 11 A D > - 0 0 20 70,-0.5 3,-0.9 78,-0.3 5,-0.2 -0.079 67.9 -93.7 -55.2 152.1 -17.0 53.9 45.7 12 12 A G T 3 S+ 0 0 30 1,-0.2 -1,-0.1 2,-0.1 77,-0.0 -0.319 108.7 31.2 -66.0 151.5 -20.4 52.3 45.5 13 13 A A T 3 S+ 0 0 99 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.662 83.3 114.6 73.5 19.9 -20.5 48.5 45.7 14 14 A V S < S- 0 0 2 -3,-0.9 68,-0.1 -4,-0.1 -2,-0.1 0.514 90.7-106.3 -95.6 -7.1 -17.4 48.4 48.0 15 15 A G S > S+ 0 0 19 100,-0.1 4,-2.2 66,-0.1 5,-0.2 0.768 70.4 143.1 89.0 27.9 -19.4 47.0 51.0 16 16 A K H > S+ 0 0 6 -5,-0.2 4,-1.6 2,-0.2 5,-0.1 0.952 76.8 41.0 -63.6 -50.9 -19.6 50.1 53.2 17 17 A T H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.924 114.5 53.3 -63.0 -45.4 -23.1 49.4 54.4 18 18 A C H > S+ 0 0 26 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.904 109.5 46.5 -58.8 -44.4 -22.5 45.7 54.8 19 19 A L H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.822 113.2 50.5 -71.0 -28.2 -19.4 46.2 57.0 20 20 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.920 115.7 41.6 -72.4 -43.8 -21.2 48.8 59.1 21 21 A I H X S+ 0 0 12 -4,-2.9 4,-2.3 2,-0.2 5,-0.4 0.952 113.6 52.5 -66.5 -48.9 -24.1 46.4 59.6 22 22 A S H X>S+ 0 0 0 -4,-3.3 5,-0.9 -5,-0.2 4,-0.7 0.830 113.3 46.0 -56.0 -34.2 -21.9 43.4 60.1 23 23 A Y H <5S+ 0 0 46 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.857 114.8 43.7 -79.2 -38.0 -20.0 45.3 62.8 24 24 A T H <5S+ 0 0 34 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.716 121.6 37.2 -83.6 -19.9 -22.9 46.7 64.7 25 25 A T H <5S- 0 0 50 -4,-2.3 -1,-0.2 2,-0.2 -3,-0.2 0.591 102.5-132.7-101.0 -15.3 -25.1 43.6 64.8 26 26 A N T <5S+ 0 0 126 -4,-0.7 2,-0.2 -5,-0.4 -3,-0.2 0.895 75.6 72.3 64.0 46.7 -22.0 41.4 65.2 27 27 A K S -C 49 0A 36 3,-3.1 3,-2.8 -2,-0.5 -2,-0.0 -0.998 64.6 -9.5-134.4 133.0 -13.2 54.2 76.4 47 47 A G T 3 S- 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.881 129.3 -55.9 49.4 40.2 -10.4 55.1 78.8 48 48 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.553 118.9 107.5 72.0 7.8 -12.9 54.7 81.6 49 49 A E E < S- C 0 46A 98 -3,-2.8 -3,-3.1 -48,-0.0 2,-0.3 -0.900 74.2-108.9-122.1 148.8 -15.2 57.3 80.1 50 50 A P E + C 0 45A 57 0, 0.0 -48,-2.0 0, 0.0 2,-0.3 -0.552 44.2 175.0 -74.1 133.3 -18.7 56.9 78.4 51 51 A Y E -aC 2 44A 35 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.5 -0.917 29.2-144.0-135.7 162.0 -18.6 57.5 74.6 52 52 A T E -aC 3 43A 4 -50,-1.6 -48,-1.9 -2,-0.3 2,-0.9 -0.997 14.4-151.5-126.6 121.6 -20.9 57.3 71.6 53 53 A L E -aC 4 42A 3 -11,-4.9 -11,-3.0 -2,-0.5 2,-0.7 -0.853 14.1-152.4 -94.4 104.0 -19.3 56.2 68.4 54 54 A G E -aC 5 41A 1 -50,-3.2 -48,-3.3 -2,-0.9 2,-0.5 -0.714 12.3-167.8 -82.0 116.3 -21.3 57.9 65.7 55 55 A L E -a 6 0A 1 -15,-3.9 2,-0.5 -2,-0.7 -48,-0.2 -0.915 4.1-173.4-108.7 127.0 -21.1 55.8 62.5 56 56 A F E -a 7 0A 11 -50,-2.1 -48,-2.5 -2,-0.5 2,-0.1 -0.968 9.9-153.2-130.0 121.8 -22.3 57.3 59.3 57 57 A D - 0 0 6 -2,-0.5 221,-0.1 -20,-0.2 -48,-0.1 -0.424 8.1-169.6 -82.8 158.7 -22.7 55.5 56.0 58 58 A T > + 0 0 2 -50,-0.3 3,-1.7 -2,-0.1 -48,-0.1 0.141 31.9 149.5-134.0 15.1 -22.5 57.3 52.6 59 59 A A T 3 + 0 0 12 1,-0.2 214,-3.2 2,-0.1 -48,-0.1 -0.215 65.1 24.2 -55.1 137.3 -23.7 54.5 50.4 60 60 A G T 3 S+ 0 0 6 212,-0.2 3,-0.3 214,-0.1 -1,-0.2 0.385 97.7 94.9 88.4 -2.0 -25.6 55.6 47.2 61 61 A Q X + 0 0 2 -3,-1.7 3,-1.7 1,-0.2 7,-0.2 0.299 41.1 112.9-103.6 10.0 -23.9 59.0 47.2 62 62 A E T 3 S+ 0 0 25 207,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.690 87.7 36.1 -57.1 -20.4 -21.0 58.3 44.8 63 63 A D T 3 S+ 0 0 107 -3,-0.3 2,-1.0 1,-0.1 -1,-0.3 0.335 94.5 91.1-112.5 4.1 -22.5 60.6 42.1 64 64 A Y X> + 0 0 8 -3,-1.7 4,-2.6 1,-0.2 3,-0.9 -0.531 42.2 160.1 -99.3 67.8 -23.9 63.3 44.4 65 65 A D T 34 S+ 0 0 77 -2,-1.0 -1,-0.2 1,-0.3 145,-0.1 0.750 74.5 52.4 -62.0 -22.1 -20.9 65.7 44.5 66 66 A R T 34 S+ 0 0 104 -3,-0.2 -1,-0.3 143,-0.2 4,-0.1 0.750 116.3 37.9 -85.7 -22.6 -23.1 68.5 45.7 67 67 A L T X4 S+ 0 0 0 -3,-0.9 3,-1.7 -6,-0.1 4,-0.3 0.788 96.2 78.5 -97.6 -31.0 -24.7 66.6 48.6 68 68 A R G >< S+ 0 0 8 -4,-2.6 3,-2.0 1,-0.3 4,-0.3 0.847 85.6 59.8 -47.6 -47.3 -21.7 64.5 49.9 69 69 A P G > S+ 0 0 31 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 0.734 85.2 80.0 -59.0 -20.4 -20.0 67.3 51.9 70 70 A L G < S+ 0 0 34 -3,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.777 92.3 51.6 -57.1 -25.0 -23.1 67.7 54.0 71 71 A S G < S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.3 -3,-0.1 0.632 96.2 73.4 -86.6 -14.7 -21.9 64.6 56.0 72 72 A Y X + 0 0 2 -3,-1.6 3,-1.5 -4,-0.3 -2,-0.2 0.828 59.3 111.1 -74.9 -38.1 -18.4 65.9 56.6 73 73 A P T 3 S+ 0 0 62 0, 0.0 32,-0.1 0, 0.0 31,-0.0 -0.032 92.0 2.5 -43.6 136.5 -18.6 68.7 59.3 74 74 A Q T 3 S+ 0 0 142 1,-0.2 2,-0.4 2,-0.1 -69,-0.3 0.733 85.6 161.6 57.2 28.0 -17.1 67.8 62.7 75 75 A T < - 0 0 6 -3,-1.5 -1,-0.2 1,-0.1 -69,-0.2 -0.647 24.3-168.6 -78.4 130.0 -15.9 64.4 61.5 76 76 A D S S+ 0 0 63 -71,-2.2 2,-0.3 -2,-0.4 -70,-0.2 0.703 70.8 7.9 -91.8 -21.6 -13.2 63.0 63.8 77 77 A V E -b 6 0A 0 -72,-1.6 -70,-1.7 31,-0.1 2,-0.3 -0.919 62.9-150.5-163.2 134.4 -12.1 60.1 61.6 78 78 A F E -bd 7 110A 0 31,-1.8 33,-2.5 -2,-0.3 2,-0.6 -0.800 6.9-150.8-105.8 147.9 -12.8 58.9 58.0 79 79 A L E -bd 8 111A 1 -72,-2.4 -70,-2.4 -2,-0.3 2,-1.0 -0.941 13.2-161.1-115.9 103.1 -12.7 55.3 56.7 80 80 A V E -bd 9 112A 0 31,-2.6 33,-2.7 -2,-0.6 2,-0.3 -0.777 20.6-162.1 -89.9 103.7 -11.8 55.5 53.0 81 81 A C E +bd 10 113A 0 -72,-3.2 -70,-0.5 -2,-1.0 2,-0.3 -0.621 22.8 164.2 -96.9 145.2 -12.9 52.2 51.7 82 82 A F E - d 0 114A 0 31,-2.1 33,-2.7 -2,-0.3 2,-0.5 -0.975 37.5-114.2-148.9 150.8 -12.1 50.2 48.6 83 83 A S E > - d 0 115A 1 -2,-0.3 3,-2.3 3,-0.3 7,-0.3 -0.784 16.4-139.5 -90.2 130.7 -12.7 46.6 47.6 84 84 A V T 3 S+ 0 0 0 31,-2.3 53,-3.2 -2,-0.5 -1,-0.1 0.629 106.7 53.0 -64.3 -11.2 -9.5 44.5 47.2 85 85 A V T 3 S+ 0 0 19 30,-0.3 -1,-0.3 51,-0.2 31,-0.1 0.077 98.5 73.1-108.9 22.4 -11.2 42.9 44.2 86 86 A S <> - 0 0 33 -3,-2.3 4,-1.7 1,-0.1 3,-0.5 -0.718 53.6-179.3-138.0 86.7 -12.0 46.2 42.6 87 87 A P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.838 84.9 56.4 -53.1 -37.5 -9.0 48.0 41.1 88 88 A S H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.910 106.5 48.8 -64.3 -41.3 -11.2 51.0 40.0 89 89 A S H 4 S+ 0 0 1 -3,-0.5 4,-0.5 2,-0.2 -78,-0.3 0.864 111.5 51.5 -65.6 -34.0 -12.4 51.6 43.6 90 90 A F H >X S+ 0 0 27 -4,-1.7 3,-1.2 -7,-0.3 4,-0.7 0.917 109.2 48.7 -67.5 -46.1 -8.8 51.4 44.8 91 91 A E H >X S+ 0 0 125 -4,-2.5 4,-2.4 1,-0.3 3,-0.7 0.861 104.2 61.2 -63.5 -35.1 -7.6 54.0 42.2 92 92 A N H 3X>S+ 0 0 50 -4,-2.0 4,-2.3 1,-0.2 5,-2.1 0.669 88.6 71.3 -67.2 -16.7 -10.5 56.3 43.2 93 93 A V H <4>S+ 0 0 0 -3,-1.2 5,-2.7 -4,-0.5 -1,-0.2 0.945 111.7 30.2 -61.4 -45.3 -9.1 56.5 46.7 94 94 A K H <<5S+ 0 0 106 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.898 125.4 44.4 -78.2 -46.5 -6.3 58.6 45.3 95 95 A E H <5S- 0 0 118 -4,-2.4 -3,-0.2 3,-0.1 -2,-0.2 0.736 134.9 -2.2 -74.5 -23.1 -8.1 60.2 42.4 96 96 A K T X5S+ 0 0 57 -4,-2.3 4,-2.2 -5,-0.2 -3,-0.2 0.656 120.4 49.7-132.8 -62.7 -11.3 61.1 44.3 97 97 A W H > S+ 0 0 65 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.928 111.9 48.2 -64.4 -39.2 -8.7 64.6 47.7 100 100 A E H X S+ 0 0 32 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.933 115.7 39.9 -66.7 -47.8 -12.4 65.3 48.6 101 101 A I H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 7,-0.2 0.849 113.5 55.7 -71.5 -32.0 -12.2 64.7 52.4 102 102 A T H < S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.847 107.1 51.5 -66.2 -34.1 -8.8 66.4 52.6 103 103 A H H < S+ 0 0 142 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.915 120.3 31.8 -69.0 -45.0 -10.3 69.5 51.0 104 104 A H H < S+ 0 0 82 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.770 137.2 23.5 -84.2 -28.3 -13.2 69.7 53.5 105 105 A C >< + 0 0 15 -4,-3.0 3,-2.1 -5,-0.2 -1,-0.2 -0.483 65.8 165.8-137.6 65.6 -11.4 68.3 56.5 106 106 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.716 80.7 46.7 -54.7 -23.9 -7.6 68.8 56.0 107 107 A K T 3 S+ 0 0 194 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.333 87.1 104.7-102.9 7.9 -6.9 68.1 59.7 108 108 A T < - 0 0 30 -3,-2.1 -31,-0.1 -7,-0.2 -3,-0.1 -0.774 67.4-130.9 -95.1 124.7 -9.0 64.9 60.0 109 109 A P - 0 0 41 0, 0.0 -31,-1.8 0, 0.0 2,-0.3 -0.267 25.0-165.1 -67.4 157.1 -7.2 61.6 60.1 110 110 A F E -d 78 0A 14 40,-0.2 42,-3.2 -33,-0.2 43,-0.5 -0.990 14.0-142.6-144.2 151.1 -8.3 58.8 57.9 111 111 A L E -d 79 0A 0 -33,-2.5 -31,-2.6 -2,-0.3 2,-0.6 -0.890 19.1-131.5-110.9 143.8 -7.7 55.0 57.6 112 112 A L E -de 80 154A 1 41,-2.3 43,-2.4 -2,-0.4 2,-0.5 -0.870 29.7-160.6 -92.3 126.5 -7.4 53.3 54.3 113 113 A V E -de 81 155A 0 -33,-2.7 -31,-2.1 -2,-0.6 2,-0.5 -0.935 12.3-157.2-119.3 120.0 -9.7 50.3 54.5 114 114 A G E -de 82 156A 0 41,-3.0 43,-2.2 -2,-0.5 3,-0.2 -0.795 22.7-169.5 -90.9 128.8 -9.5 47.2 52.2 115 115 A T E +d 83 0A 4 -33,-2.7 -31,-2.3 -2,-0.5 -30,-0.3 -0.652 53.7 31.7-115.1 173.0 -12.8 45.4 52.1 116 116 A Q > + 0 0 50 -2,-0.2 3,-1.9 41,-0.2 4,-0.4 0.790 59.5 157.4 52.9 37.8 -14.2 42.1 50.7 117 117 A I G > + 0 0 24 40,-1.3 3,-0.6 1,-0.3 4,-0.4 0.657 64.1 72.5 -64.6 -14.8 -10.9 40.2 51.4 118 118 A D G 3 S+ 0 0 41 1,-0.2 3,-0.3 39,-0.2 -1,-0.3 0.724 95.6 52.9 -70.6 -20.2 -12.9 37.0 51.5 119 119 A L G X S+ 0 0 52 -3,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.594 83.1 89.1 -89.6 -13.6 -13.2 37.4 47.7 120 120 A R T < S+ 0 0 50 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.841 97.5 34.9 -54.2 -39.0 -9.5 37.8 47.0 121 121 A D T 3 S+ 0 0 126 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.213 87.1 125.3-102.1 15.6 -8.9 34.1 46.6 122 122 A D X> - 0 0 54 -3,-1.9 4,-3.0 1,-0.2 3,-0.6 -0.653 55.7-146.7 -78.7 115.1 -12.3 33.4 45.0 123 123 A P H 3> S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.877 96.7 48.4 -45.3 -51.2 -11.7 31.6 41.7 124 124 A S H 3> S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.848 114.3 45.4 -62.0 -37.1 -14.6 33.2 39.9 125 125 A T H <> S+ 0 0 25 -3,-0.6 4,-1.7 2,-0.2 3,-0.3 0.932 112.4 51.8 -71.4 -45.6 -13.7 36.7 41.1 126 126 A I H X S+ 0 0 69 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.876 109.5 49.6 -57.9 -41.5 -10.0 36.2 40.2 127 127 A E H X S+ 0 0 132 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.795 106.4 55.3 -72.1 -28.1 -10.9 35.1 36.7 128 128 A K H < S+ 0 0 152 -4,-1.2 4,-0.3 -3,-0.3 -1,-0.2 0.868 111.0 45.2 -71.1 -35.6 -13.2 38.1 36.0 129 129 A L H ><>S+ 0 0 16 -4,-1.7 5,-3.2 2,-0.2 3,-0.9 0.875 110.9 53.3 -73.3 -38.4 -10.3 40.4 36.9 130 130 A A H ><5S+ 0 0 50 -4,-2.0 3,-3.0 1,-0.3 -2,-0.2 0.904 101.2 58.8 -62.7 -41.4 -7.9 38.4 34.8 131 131 A K T 3<5S+ 0 0 159 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.727 109.5 46.6 -60.3 -18.3 -10.2 38.7 31.8 132 132 A N T < 5S- 0 0 110 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.163 122.4-110.2-107.3 14.0 -9.7 42.4 32.4 133 133 A K T < 5S+ 0 0 192 -3,-3.0 2,-0.3 1,-0.2 -3,-0.3 0.793 82.5 115.6 61.3 30.1 -5.9 42.1 32.7 134 134 A Q < - 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0 0 69 1,-0.0 4,-1.4 0, 0.0 5,-0.1 -0.617 59.6 -97.5-119.4 178.6 -36.5 66.4 76.1 184 80 B N H > S+ 0 0 74 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.835 125.1 59.5 -65.8 -32.2 -37.1 64.7 72.7 185 81 B K H > S+ 0 0 121 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.899 100.3 54.0 -62.1 -42.3 -38.6 68.0 71.7 186 82 B V H > S+ 0 0 46 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 112.1 44.6 -58.7 -44.1 -35.4 69.9 72.4 187 83 B V H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.894 112.7 50.5 -69.0 -41.2 -33.5 67.5 70.2 188 84 B K H X S+ 0 0 67 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.925 109.4 50.8 -63.3 -44.7 -36.1 67.6 67.4 189 85 B D H X S+ 0 0 74 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.884 108.7 53.3 -60.9 -37.4 -36.1 71.4 67.4 190 86 B F H X S+ 0 0 43 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.882 107.7 49.3 -64.8 -38.9 -32.3 71.3 67.2 191 87 B M H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.879 109.3 53.1 -67.5 -33.5 -32.5 69.1 64.1 192 88 B L H X S+ 0 0 61 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.903 107.9 51.2 -65.3 -39.6 -35.0 71.5 62.7 193 89 B Q H X S+ 0 0 98 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.928 110.8 48.3 -62.4 -43.6 -32.4 74.2 63.3 194 90 B T H X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.876 106.1 55.8 -66.1 -37.8 -29.8 72.2 61.5 195 91 B L H X S+ 0 0 5 -4,-2.5 4,-1.7 1,-0.2 5,-0.4 0.920 106.9 52.4 -60.3 -41.6 -32.1 71.5 58.6 196 92 B N H < S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 105.4 54.8 -59.8 -40.4 -32.4 75.3 58.3 197 93 B D H < S+ 0 0 115 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 109.3 45.6 -63.5 -39.1 -28.7 75.7 58.2 198 94 B I H < S- 0 0 23 -4,-1.9 -1,-0.2 78,-0.1 -2,-0.2 0.802 90.5-165.7 -75.0 -24.7 -28.3 73.3 55.3 199 95 B D X - 0 0 71 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.908 9.1-172.6 39.2 73.7 -31.2 75.1 53.5 200 96 B I H > S+ 0 0 0 -5,-0.4 4,-2.8 1,-0.2 5,-0.2 0.914 80.2 52.7 -59.7 -44.8 -32.0 72.6 50.8 201 97 B R H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 111.2 44.7 -60.1 -45.8 -34.5 74.9 49.0 202 98 B G H > S+ 0 0 13 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.915 115.2 47.4 -66.6 -42.1 -32.1 77.9 48.7 203 99 B S H X S+ 0 0 37 -4,-2.2 4,-1.5 1,-0.2 3,-0.4 0.923 112.2 51.5 -63.8 -41.6 -29.2 75.7 47.6 204 100 B A H < S+ 0 0 7 -4,-2.8 7,-0.4 -5,-0.2 -1,-0.2 0.878 107.4 52.2 -62.1 -40.0 -31.5 74.0 45.1 205 101 B S H < S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.779 114.3 42.6 -69.5 -26.3 -32.7 77.4 43.7 206 102 B K H < S+ 0 0 170 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.661 119.6 38.8 -94.4 -18.2 -29.1 78.6 43.1 207 103 B D >X - 0 0 45 -4,-1.5 4,-2.1 -5,-0.1 3,-0.8 -0.878 59.2-164.4-139.6 102.8 -27.6 75.4 41.7 208 104 B P H 3> S+ 0 0 106 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.786 94.8 56.2 -54.6 -31.1 -29.6 73.2 39.2 209 105 B A H 3> S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.861 106.0 49.9 -71.0 -35.1 -27.2 70.3 39.8 210 106 B Y H <> S+ 0 0 18 -3,-0.8 4,-2.4 -7,-0.2 -1,-0.2 0.927 111.7 50.5 -66.1 -44.2 -27.8 70.5 43.5 211 107 B A H X S+ 0 0 7 -4,-2.1 4,-2.6 -7,-0.4 -2,-0.2 0.950 111.7 44.5 -59.7 -52.9 -31.5 70.4 42.8 212 108 B S H X S+ 0 0 44 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.927 113.7 50.6 -60.7 -44.2 -31.4 67.4 40.5 213 109 B Q H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.893 109.8 51.9 -60.0 -39.1 -29.1 65.5 42.9 214 110 B T H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.949 108.9 49.3 -62.2 -49.3 -31.5 66.3 45.7 215 111 B R H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.933 114.8 44.3 -58.0 -45.0 -34.5 64.9 43.8 216 112 B E H X S+ 0 0 49 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.901 113.9 50.3 -65.7 -40.4 -32.6 61.7 42.9 217 113 B A H X S+ 0 0 2 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.928 112.2 47.6 -63.3 -46.3 -31.3 61.3 46.4 218 114 B I H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 3,-0.2 0.942 112.8 46.0 -62.1 -50.0 -34.8 61.8 47.9 219 115 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.839 110.7 55.8 -63.9 -30.6 -36.5 59.3 45.6 220 116 B S H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.865 106.2 50.8 -67.9 -34.8 -33.6 56.9 46.3 221 117 B A H X S+ 0 0 20 -4,-1.8 4,-2.5 -3,-0.2 5,-0.2 0.895 108.7 50.5 -69.2 -39.1 -34.3 57.2 50.0 222 118 B V H X S+ 0 0 12 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.927 112.4 48.4 -63.1 -41.9 -38.0 56.5 49.5 223 119 B Y H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.967 111.6 49.3 -59.7 -53.7 -37.0 53.4 47.4 224 120 B S H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -189,-0.3 0.865 110.1 50.0 -54.6 -45.5 -34.5 52.2 50.1 225 121 B K H X S+ 0 0 62 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.937 115.2 42.6 -62.6 -46.5 -37.0 52.5 53.0 226 122 B N H X S+ 0 0 13 -4,-2.0 4,-2.2 -5,-0.2 5,-0.3 0.847 111.7 55.4 -70.5 -32.0 -39.7 50.6 51.1 227 123 B K H X S+ 0 0 21 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.962 113.7 40.7 -63.5 -51.8 -37.2 48.0 49.9 228 124 B D H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.930 114.8 50.6 -62.6 -48.6 -36.0 47.2 53.4 229 125 B Q H X S+ 0 0 104 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.921 118.0 38.3 -57.8 -46.0 -39.5 47.3 55.1 230 126 B C H X S+ 0 0 10 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.892 115.0 52.3 -74.1 -40.9 -41.0 44.9 52.5 231 127 B C H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.925 109.2 50.4 -61.5 -43.7 -38.0 42.7 52.2 232 128 B N H X S+ 0 0 83 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.916 114.2 45.6 -59.4 -44.0 -37.8 42.2 55.9 233 129 B L H X S+ 0 0 69 -4,-1.5 4,-1.7 -5,-0.3 3,-0.3 0.982 113.9 47.0 -62.5 -58.2 -41.5 41.3 56.0 234 130 B L H <>S+ 0 0 0 -4,-3.2 5,-2.8 1,-0.2 3,-0.2 0.886 113.1 49.2 -49.4 -48.3 -41.4 39.0 53.0 235 131 B I H ><5S+ 0 0 44 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.860 108.0 52.9 -62.5 -38.0 -38.3 37.2 54.3 236 132 B S H 3<5S+ 0 0 88 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.805 110.6 49.6 -68.0 -27.3 -39.9 36.7 57.8 237 133 B K T 3<5S- 0 0 126 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.355 119.9-113.1 -90.6 3.3 -42.9 35.2 55.9 238 134 B G T < 5 + 0 0 68 -3,-1.3 -3,-0.2 1,-0.2 2,-0.2 0.660 68.0 141.8 75.0 17.8 -40.5 32.9 54.0 239 135 B I < - 0 0 60 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.514 56.8-108.6 -89.9 158.4 -41.2 34.5 50.5 240 136 B N - 0 0 112 -2,-0.2 4,-0.3 1,-0.1 -1,-0.1 -0.728 22.1-158.6 -85.9 133.9 -38.5 35.0 47.8 241 137 B I S > S+ 0 0 26 -2,-0.4 4,-2.7 1,-0.1 3,-0.4 0.666 70.5 88.7 -87.8 -16.0 -37.7 38.7 47.4 242 138 B A H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 87.4 46.1 -49.5 -58.0 -36.3 38.5 43.9 243 139 B P H > S+ 0 0 60 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.857 114.8 50.0 -57.3 -32.9 -39.5 39.1 41.9 244 140 B F H > S+ 0 0 1 -3,-0.4 4,-2.2 -4,-0.3 5,-0.3 0.914 109.7 49.2 -70.5 -43.5 -40.4 42.0 44.2 245 141 B L H X S+ 0 0 23 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.872 106.9 57.8 -62.6 -35.8 -37.0 43.6 43.8 246 142 B Q H X S+ 0 0 72 -4,-2.4 4,-1.7 -5,-0.3 20,-0.3 0.922 109.0 45.3 -60.6 -44.5 -37.4 43.2 40.1 247 143 B E H X S+ 0 0 65 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.920 113.5 44.6 -68.9 -47.5 -40.6 45.2 40.1 248 144 B I H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.797 109.2 61.0 -68.9 -22.4 -39.6 48.1 42.4 249 145 B G H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.949 106.3 44.6 -64.7 -46.5 -36.4 48.2 40.3 250 146 B E H X S+ 0 0 59 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.869 112.1 52.8 -63.3 -37.5 -38.5 49.0 37.3 251 147 B A H X S+ 0 0 2 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.918 110.7 47.0 -64.9 -42.4 -40.5 51.5 39.3 252 148 B A H ><>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 3,-0.6 0.943 112.2 50.9 -63.1 -45.2 -37.2 53.2 40.3 253 149 B K H ><5S+ 0 0 86 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.940 111.5 46.6 -56.6 -49.8 -36.0 53.1 36.7 254 150 B N H 3<5S+ 0 0 61 -4,-2.9 -1,-0.3 1,-0.3 139,-0.3 0.658 102.3 66.2 -67.7 -16.7 -39.3 54.7 35.4 255 151 B A T <<5S- 0 0 4 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.595 122.9-103.5 -80.3 -10.4 -39.0 57.2 38.2 256 152 B G T < 5S+ 0 0 44 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.572 73.6 142.8 99.7 12.1 -35.9 58.6 36.5 257 153 B L < - 0 0 5 -5,-1.9 -1,-0.3 -38,-0.1 -2,-0.1 -0.755 45.2-134.5 -90.8 123.4 -33.3 57.1 38.8 258 154 B P + 0 0 62 0, 0.0 11,-2.1 0, 0.0 12,-0.5 -0.331 43.4 131.0 -70.4 157.5 -30.1 55.9 37.2 259 155 B G E -F 268 0B 28 9,-0.3 2,-0.3 10,-0.1 7,-0.1 -0.966 45.8 -91.9-177.7-166.5 -28.8 52.5 38.2 260 156 B T E -F 267 0B 100 7,-1.7 7,-2.4 -2,-0.3 2,-0.4 -0.938 25.8-130.1-134.7 156.0 -27.4 49.1 37.2 261 157 B T E +F 266 0B 82 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.892 21.8 174.6-113.1 137.3 -28.9 45.6 36.7 262 158 B K E > S-F 265 0B 159 3,-2.4 3,-2.1 -2,-0.4 -2,-0.0 -0.996 74.8 -3.3-140.0 130.2 -27.8 42.4 38.2 263 159 B N T 3 S- 0 0 135 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.898 131.4 -57.7 54.6 41.9 -29.6 39.0 37.8 264 160 B D T 3 S+ 0 0 142 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.581 115.0 119.4 66.0 10.6 -32.3 40.9 35.8 265 161 B V E < -F 262 0B 22 -3,-2.1 -3,-2.4 -16,-0.1 2,-0.3 -0.933 54.3-147.1-114.1 122.7 -32.9 43.2 38.8 266 162 B F E -F 261 0B 15 -2,-0.5 -5,-0.2 -20,-0.3 -14,-0.1 -0.666 14.1-174.4 -85.3 134.6 -32.4 46.9 38.5 267 163 B T E -F 260 0B 48 -7,-2.4 -7,-1.7 -2,-0.3 2,-0.1 -0.986 27.2-122.0-129.2 120.7 -31.2 48.8 41.6 268 164 B P E > -F 259 0B 3 0, 0.0 3,-1.5 0, 0.0 -9,-0.3 -0.405 17.5-130.9 -65.3 139.1 -30.9 52.6 41.5 269 165 B S T 3 S+ 0 0 39 -11,-2.1 -207,-0.3 1,-0.3 -10,-0.1 0.745 102.3 61.5 -58.9 -30.5 -27.4 53.9 42.3 270 166 B G T 3 S+ 0 0 8 -12,-0.5 -1,-0.3 -209,-0.1 2,-0.1 0.588 75.1 117.3 -76.8 -9.4 -28.6 56.4 44.8 271 167 B A < + 0 0 16 -3,-1.5 2,-0.3 1,-0.1 -50,-0.1 -0.373 53.4 57.9 -61.8 129.5 -30.1 53.7 47.1 272 168 B G S S+ 0 0 6 -52,-0.2 2,-0.5 -212,-0.1 -212,-0.2 -0.832 96.4 12.7 157.5-113.9 -28.3 53.7 50.5 273 169 B A S S- 0 0 16 -214,-3.2 -52,-0.1 -2,-0.3 -237,-0.1 -0.878 70.1-121.7-106.2 125.1 -27.9 56.5 53.0 274 170 B N >> - 0 0 19 -2,-0.5 3,-1.1 1,-0.2 4,-1.0 -0.463 19.6-145.9 -61.0 116.4 -30.0 59.6 52.6 275 171 B P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -61,-0.0 0.712 95.9 54.3 -61.8 -18.1 -27.3 62.4 52.4 276 172 B F T 3> S+ 0 0 0 2,-0.1 4,-0.8 1,-0.1 -78,-0.1 0.710 98.1 63.9 -88.6 -20.1 -29.6 64.8 54.2 277 173 B I H X> S+ 0 0 17 -3,-1.1 4,-2.8 1,-0.2 3,-0.6 0.947 92.7 59.9 -67.3 -49.6 -30.1 62.6 57.2 278 174 B T H 3X S+ 0 0 6 -4,-1.0 4,-3.6 1,-0.2 5,-0.5 0.865 100.9 51.7 -53.1 -45.6 -26.5 62.4 58.5 279 175 B P H 3> S+ 0 0 8 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.908 115.9 43.0 -60.2 -36.2 -26.0 66.1 59.1 280 176 B L H < + 0 0 44 -4,-3.1 3,-1.8 -5,-0.2 4,-0.3 -0.435 69.1 159.6-126.6 61.8 -27.1 65.6 73.0 289 185 B P G > S+ 0 0 11 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.759 70.7 64.4 -53.5 -31.9 -25.4 62.2 73.1 290 186 B R G > S+ 0 0 136 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.781 97.8 57.7 -65.2 -25.0 -27.3 61.0 76.2 291 187 B M G < S+ 0 0 24 -3,-1.8 -1,-0.3 1,-0.2 -6,-0.1 0.545 103.6 53.0 -82.5 -7.8 -30.5 61.2 74.1 292 188 B F G < S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.264 82.0 87.3-111.3 12.5 -29.1 58.7 71.5 293 189 B I S < S+ 0 0 88 -3,-0.7 2,-0.3 -4,-0.2 -250,-0.2 0.923 73.9 77.5 -74.6 -44.9 -28.1 55.9 73.8 294 190 B N S > S- 0 0 80 -4,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.497 76.5-143.5 -69.7 129.9 -31.5 54.3 73.7 295 191 B Q H > S+ 0 0 143 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.877 100.0 52.0 -60.5 -42.5 -32.1 52.3 70.5 296 192 B H H > S+ 0 0 142 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.935 110.0 49.7 -61.8 -45.1 -35.8 53.3 70.3 297 193 B Q H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.897 107.6 54.5 -60.7 -41.7 -34.9 56.9 70.7 298 194 B Q H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.953 111.4 44.5 -55.5 -52.0 -32.3 56.7 67.9 299 195 B A H X S+ 0 0 47 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.925 111.9 52.8 -59.7 -45.9 -34.9 55.3 65.5 300 196 B S H X S+ 0 0 42 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.909 109.6 47.9 -59.0 -43.5 -37.5 57.9 66.5 301 197 B F H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.893 111.7 50.8 -65.1 -38.2 -35.1 60.8 65.9 302 198 B K H X S+ 0 0 20 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.941 110.6 48.6 -63.8 -45.9 -34.1 59.3 62.5 303 199 B I H X S+ 0 0 97 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.883 111.7 50.0 -60.2 -40.2 -37.8 58.9 61.5 304 200 B Y H X S+ 0 0 28 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.870 109.9 50.9 -66.7 -37.5 -38.4 62.5 62.6 305 201 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 108.7 51.1 -65.7 -45.2 -35.4 63.7 60.6 306 202 B E H X S+ 0 0 31 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.925 109.7 52.2 -56.7 -45.5 -36.7 61.9 57.5 307 203 B K H X S+ 0 0 127 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.930 110.8 43.4 -59.7 -50.1 -40.1 63.5 57.9 308 204 B I H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.837 113.8 53.2 -68.6 -27.8 -38.9 67.1 58.1 309 205 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.933 108.3 49.6 -69.4 -44.3 -36.5 66.5 55.3 310 206 B M H X S+ 0 0 50 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.919 112.3 48.1 -58.7 -45.1 -39.4 65.2 53.1 311 207 B T H < S+ 0 0 90 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.928 110.7 51.7 -62.1 -45.2 -41.4 68.3 54.0 312 208 B E H < S+ 0 0 36 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.887 114.5 41.7 -60.3 -40.1 -38.5 70.6 53.2 313 209 B V H >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.2 4,-0.4 0.666 84.8 96.2 -85.6 -15.6 -37.9 69.0 49.7 314 210 B A G >< S+ 0 0 48 -4,-1.5 3,-2.3 1,-0.3 4,-0.2 0.860 80.7 54.4 -41.5 -53.9 -41.5 68.6 48.5 315 211 B P G > S+ 0 0 44 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.690 91.9 74.3 -60.4 -14.6 -41.6 71.9 46.5 316 212 B L G < S+ 0 0 27 -3,-2.5 -2,-0.2 1,-0.3 -101,-0.1 0.680 94.7 53.2 -70.5 -14.6 -38.5 70.8 44.5 317 213 B F G X S+ 0 0 4 -3,-2.3 3,-0.7 -4,-0.4 -1,-0.3 0.374 78.6 126.9 -98.9 2.3 -40.7 68.4 42.7 318 214 B N T < S- 0 0 112 -3,-1.4 3,-0.1 1,-0.3 -4,-0.0 -0.372 85.7 -1.2 -61.2 137.3 -43.3 71.0 41.6 319 215 B E T 3 S+ 0 0 162 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.939 103.9 137.6 41.7 64.2 -43.8 70.9 37.9 320 216 B C < - 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0 0 16 -213,-2.4 -52,-0.1 -2,-0.3 -236,-0.1 -0.833 69.4-120.5-101.0 132.3 -74.4 61.4 31.1 618 170 D N >> - 0 0 19 -2,-0.4 3,-1.2 1,-0.2 4,-1.1 -0.590 18.9-147.3 -69.9 114.6 -76.2 58.1 30.2 619 171 D P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -61,-0.0 0.695 94.8 52.6 -58.7 -19.5 -76.3 56.2 33.5 620 172 D F T 3> S+ 0 0 0 2,-0.1 4,-0.8 1,-0.1 -78,-0.1 0.681 99.4 62.4 -90.9 -19.0 -76.0 52.8 31.7 621 173 D I H X> S+ 0 0 11 -3,-1.2 4,-2.5 1,-0.2 3,-1.1 0.968 91.7 65.1 -67.5 -54.1 -72.9 53.7 29.7 622 174 D T H 3X S+ 0 0 7 -4,-1.1 4,-2.7 1,-0.3 5,-0.5 0.814 100.5 48.1 -38.7 -54.6 -70.6 54.3 32.7 623 175 D P H 3> S+ 0 0 9 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.862 116.0 44.4 -61.6 -34.2 -70.6 50.6 33.9 624 176 D L H < + 0 0 58 -4,-3.2 3,-1.4 1,-0.1 4,-0.3 -0.530 67.3 163.5-124.8 67.2 -58.5 46.4 28.5 633 185 D P G > S+ 0 0 8 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.853 76.3 55.4 -49.0 -45.5 -56.7 49.8 29.0 634 186 D R G > S+ 0 0 167 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.756 98.3 63.3 -65.1 -23.0 -54.7 49.6 25.8 635 187 D M G < S+ 0 0 42 -3,-1.4 -1,-0.3 1,-0.2 -6,-0.1 0.506 105.2 47.0 -80.4 -1.9 -57.8 49.2 23.8 636 188 D F G < S+ 0 0 2 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.210 80.6 99.5-120.3 11.8 -59.0 52.6 24.9 637 189 D I S < S+ 0 0 101 -3,-1.0 2,-0.3 -4,-0.1 -249,-0.1 0.944 72.3 67.1 -63.3 -49.7 -55.8 54.6 24.2 638 190 D N S >> S- 0 0 70 -4,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.594 78.0-139.2 -79.4 130.4 -56.9 56.0 20.9 639 191 D Q H 3> S+ 0 0 139 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.819 105.0 58.5 -55.6 -35.0 -59.8 58.5 20.9 640 192 D H H 3> S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.915 109.0 45.7 -61.8 -41.2 -61.2 56.9 17.7 641 193 D Q H <> S+ 0 0 47 -3,-0.6 4,-2.6 2,-0.2 5,-0.3 0.905 110.6 52.8 -68.1 -42.3 -61.4 53.6 19.7 642 194 D Q H X S+ 0 0 10 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.973 112.6 44.0 -57.1 -55.0 -62.9 55.3 22.7 643 195 D A H X S+ 0 0 54 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.903 113.2 52.6 -56.1 -44.5 -65.7 56.9 20.6 644 196 D S H X S+ 0 0 52 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.885 111.3 44.6 -61.3 -42.9 -66.2 53.6 18.8 645 197 D F H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.820 111.6 53.6 -73.2 -28.2 -66.6 51.5 21.9 646 198 D K H X S+ 0 0 25 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.869 107.7 51.5 -72.5 -33.7 -68.9 54.2 23.4 647 199 D I H X S+ 0 0 83 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.947 111.2 47.7 -64.7 -47.6 -71.0 54.0 20.3 648 200 D Y H X S+ 0 0 38 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.927 111.1 49.2 -58.7 -49.9 -71.2 50.2 20.7 649 201 D A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.940 111.6 51.3 -54.1 -48.3 -72.1 50.4 24.4 650 202 D E H X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.905 110.0 49.8 -55.0 -46.4 -74.8 52.9 23.5 651 203 D K H X S+ 0 0 128 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 110.5 46.2 -64.2 -47.8 -76.2 50.6 20.8 652 204 D I H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.804 111.2 54.2 -68.4 -25.7 -76.5 47.5 22.9 653 205 D I H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.945 107.4 50.5 -69.4 -45.7 -78.1 49.5 25.7 654 206 D M H X S+ 0 0 48 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.896 112.4 46.6 -55.5 -45.6 -80.7 50.8 23.3 655 207 D T H < S+ 0 0 96 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.911 111.8 52.1 -63.1 -44.8 -81.5 47.3 22.1 656 208 D E H < S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 115.9 38.6 -59.0 -45.6 -81.6 46.1 25.7 657 209 D V H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 4,-0.4 0.625 87.1 96.9 -84.0 -15.6 -84.1 48.7 26.9 658 210 D A G >< S+ 0 0 41 -4,-1.5 3,-2.3 1,-0.3 4,-0.2 0.859 79.4 56.5 -42.6 -50.9 -86.3 48.8 23.8 659 211 D P G > S+ 0 0 47 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 0.783 91.7 71.8 -56.0 -27.1 -89.0 46.5 25.2 660 212 D L G < S+ 0 0 22 -3,-1.9 -2,-0.2 1,-0.3 -101,-0.1 0.677 95.0 54.9 -63.6 -15.2 -89.5 48.8 28.2 661 213 D F G X S+ 0 0 6 -3,-2.3 3,-1.0 -4,-0.4 -1,-0.3 0.385 78.8 119.2 -97.4 1.7 -91.2 51.2 25.8 662 214 D N T < S+ 0 0 114 -3,-2.1 3,-0.1 1,-0.3 0, 0.0 -0.458 85.9 3.6 -66.4 137.8 -93.7 48.6 24.6 663 215 D E T 3 S+ 0 0 209 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.860 103.3 117.8 54.7 42.2 -97.2 49.8 25.4 664 216 D C < - 0 0 47 -3,-1.0 -1,-0.2 2,-0.2 4,-0.1 -0.984 69.6-126.2-137.1 150.2 -96.4 53.2 26.8 665 217 D A S S+ 0 0 110 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.822 85.9 93.9 -62.2 -32.9 -97.3 56.7 25.7 666 218 D M S S- 0 0 30 1,-0.1 -2,-0.2 -66,-0.1 -66,-0.1 -0.390 86.8-111.4 -63.3 133.0 -93.6 57.7 25.6 667 219 D P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.330 36.0-101.3 -66.2 149.1 -92.0 57.3 22.2 668 220 D T > - 0 0 30 1,-0.1 4,-2.8 -7,-0.1 5,-0.3 -0.231 32.0-106.8 -67.0 158.9 -89.4 54.6 21.7 669 221 D P H > S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.920 122.6 51.3 -52.0 -44.0 -85.7 55.6 21.7 670 222 D Q H > S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.900 111.3 45.8 -61.4 -44.6 -85.7 54.9 17.9 671 223 D Q H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 113.9 47.9 -65.0 -48.1 -88.7 57.1 17.3 672 224 D F H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.857 110.5 53.8 -61.0 -35.7 -87.5 60.0 19.4 673 225 D Q H X S+ 0 0 86 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.916 108.7 47.4 -66.2 -43.7 -84.1 59.7 17.7 674 226 D L H X S+ 0 0 74 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.908 111.3 53.1 -62.6 -42.8 -85.7 60.0 14.2 675 227 D I H X S+ 0 0 72 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.936 111.8 43.6 -59.1 -48.2 -87.7 63.0 15.4 676 228 D L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.869 112.4 53.6 -67.4 -35.5 -84.6 64.8 16.7 677 229 D E H X S+ 0 0 91 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.905 108.2 49.0 -66.1 -41.9 -82.6 64.0 13.6 678 230 D N H X S+ 0 0 100 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.878 113.0 48.1 -65.8 -36.0 -85.3 65.4 11.3 679 231 D I H >X S+ 0 0 18 -4,-1.8 4,-1.3 -5,-0.2 3,-0.7 0.951 112.4 49.6 -67.7 -46.2 -85.4 68.6 13.5 680 232 D A H 3X S+ 0 0 5 -4,-3.0 4,-1.5 1,-0.2 3,-0.4 0.920 108.2 52.1 -58.1 -47.0 -81.6 68.8 13.4 681 233 D N H 3X S+ 0 0 64 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.730 101.9 61.9 -65.4 -20.0 -81.4 68.4 9.6 682 234 D K H << S+ 0 0 110 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.924 110.9 37.7 -70.8 -42.6 -83.9 71.2 9.1 683 235 D Y H < S+ 0 0 46 -4,-1.3 3,-0.2 -3,-0.4 -2,-0.2 0.675 116.8 52.1 -82.5 -18.4 -81.6 73.7 10.8 684 236 D I H < S+ 0 0 29 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.917 112.0 42.7 -82.3 -46.9 -78.4 72.3 9.3 685 237 D Q S < S+ 0 0 154 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.205 105.8 76.9 -85.1 16.2 -79.5 72.3 5.7 686 238 D N + 0 0 101 -3,-0.2 -1,-0.1 1,-0.0 -4,-0.0 -0.925 38.4 128.9-137.0 115.3 -81.1 75.7 5.9 687 239 D T 0 0 88 -2,-0.4 -4,-0.0 1,-0.1 -1,-0.0 -0.540 360.0 360.0-159.2 79.6 -79.3 79.1 5.9 688 240 D P 0 0 179 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.991 360.0 360.0 -75.0 360.0 -80.7 81.6 3.3