==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION INHIBITOR 22-AUG-12 4GQ6 . COMPND 2 MOLECULE: MENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.SHI,M.J.MURAI,S.HE,G.L.LUND,T.HARTLEY,T.PUROHIT,G.REDDY,M. . 479 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 22 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 1 1 1 0 1 0 4 1 3 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 2 A G 0 0 78 0, 0.0 2,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 18.6 -7.3 -17.5 -1.9 2 3 A L - 0 0 17 1,-0.1 2,-0.2 64,-0.1 5,-0.0 -0.478 360.0-116.8 -76.4 152.4 -11.0 -16.6 -1.6 3 4 A K >> - 0 0 124 -2,-0.2 3,-1.0 1,-0.1 4,-0.5 -0.558 24.5-111.9 -88.0 155.1 -13.6 -19.2 -0.6 4 5 A A H >> S+ 0 0 79 1,-0.3 3,-1.6 -2,-0.2 4,-0.7 0.880 117.1 57.2 -53.4 -42.1 -16.4 -20.2 -2.9 5 6 A A H 34 S+ 0 0 59 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.816 102.5 56.2 -58.6 -32.4 -19.0 -18.6 -0.6 6 7 A Q H <4 S+ 0 0 12 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.605 106.4 50.2 -74.1 -15.0 -17.2 -15.2 -1.0 7 8 A K H X< S+ 0 0 82 -3,-1.6 3,-1.3 -4,-0.5 -1,-0.2 0.616 82.1 89.4-100.6 -11.5 -17.4 -15.3 -4.7 8 9 A T T 3< S+ 0 0 107 -4,-0.7 -1,-0.1 -3,-0.5 -2,-0.1 0.736 83.2 56.5 -67.8 -21.8 -21.1 -16.0 -5.3 9 10 A L T 3 S+ 0 0 65 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.686 88.6 142.1 -85.0 -11.7 -22.2 -12.3 -5.4 10 11 A F < + 0 0 23 -3,-1.3 51,-0.1 2,-0.1 2,-0.1 -0.455 37.5 57.7 -76.1 149.5 -19.9 -11.3 -8.1 11 12 A P S S- 0 0 41 0, 0.0 2,-0.7 0, 0.0 50,-0.2 0.446 75.4-151.0 -78.7 148.6 -20.1 -9.5 -10.4 12 13 A L B +A 60 0A 0 48,-2.4 48,-2.3 1,-0.1 -2,-0.1 -0.795 23.8 168.6 -87.8 116.5 -20.9 -6.4 -8.3 13 14 A R + 0 0 144 -2,-0.7 2,-0.3 46,-0.2 -1,-0.1 0.402 54.6 19.5-112.8 -0.3 -23.0 -4.2 -10.5 14 15 A S S > S- 0 0 18 1,-0.1 4,-2.0 44,-0.1 5,-0.1 -0.975 80.7 -95.2-157.4 170.3 -24.3 -1.6 -8.1 15 16 A I H > S+ 0 0 8 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.899 124.2 53.0 -53.2 -48.2 -24.0 0.1 -4.8 16 17 A D H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.849 104.9 54.2 -64.7 -33.6 -26.6 -2.3 -3.4 17 18 A D H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 108.4 49.7 -65.3 -37.8 -24.5 -5.3 -4.6 18 19 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.943 110.3 50.8 -62.0 -45.3 -21.5 -3.9 -2.7 19 20 A V H X S+ 0 0 26 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.897 108.0 53.0 -57.5 -42.4 -23.7 -3.5 0.4 20 21 A R H X S+ 0 0 122 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.890 107.9 51.2 -60.9 -37.6 -24.8 -7.2 -0.1 21 22 A L H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.934 110.7 47.3 -64.8 -45.9 -21.2 -8.2 -0.1 22 23 A F H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.906 111.6 51.3 -61.6 -40.0 -20.4 -6.3 3.0 23 24 A A H X S+ 0 0 41 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.916 110.7 48.4 -62.0 -42.0 -23.5 -7.8 4.7 24 25 A A H >< S+ 0 0 50 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.949 113.8 45.8 -68.8 -44.1 -22.4 -11.3 3.7 25 26 A E H >< S+ 0 0 2 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.870 109.2 54.7 -63.6 -39.3 -18.9 -10.8 5.0 26 27 A L H 3< S+ 0 0 9 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.734 105.0 55.9 -67.8 -21.0 -20.1 -9.2 8.2 27 28 A G T << S+ 0 0 70 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.488 93.8 89.9 -86.1 -4.5 -22.2 -12.4 8.8 28 29 A R S < S- 0 0 55 -3,-1.3 -3,-0.0 -4,-0.4 0, 0.0 -0.370 98.6 -98.9 -84.3 167.0 -19.1 -14.6 8.5 29 30 A E S S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.928 112.5 2.4 -50.4 -50.5 -17.0 -15.7 11.4 30 31 A E S S- 0 0 36 181,-0.1 -1,-0.3 182,-0.0 -4,-0.1 -0.980 83.3-122.2-138.0 126.8 -14.5 -12.9 10.4 31 32 A P - 0 0 0 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.394 31.4-112.8 -69.2 143.5 -15.1 -10.5 7.5 32 33 A D > - 0 0 16 1,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.690 30.4-172.4 -85.4 99.8 -12.3 -10.5 4.9 33 34 A L H > S+ 0 0 0 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.838 83.4 53.2 -61.8 -39.5 -10.6 -7.1 5.3 34 35 A V H > S+ 0 0 0 108,-0.2 4,-2.4 2,-0.2 5,-0.2 0.953 111.2 45.4 -64.3 -48.6 -8.5 -7.7 2.2 35 36 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.934 116.1 46.4 -56.3 -50.3 -11.4 -8.5 -0.0 36 37 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.913 112.3 47.9 -67.6 -41.9 -13.5 -5.6 1.3 37 38 A S H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 86,-0.5 0.887 111.0 52.2 -66.4 -38.6 -10.8 -3.0 1.0 38 39 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.921 111.1 47.7 -60.8 -44.8 -9.9 -4.1 -2.6 39 40 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.953 114.1 46.1 -62.6 -48.4 -13.6 -3.7 -3.5 40 41 A L H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.931 114.5 47.9 -61.8 -41.0 -13.9 -0.3 -1.9 41 42 A G H X S+ 0 0 4 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.884 111.5 50.1 -66.0 -38.8 -10.7 0.9 -3.5 42 43 A F H X S+ 0 0 15 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.943 114.3 43.5 -60.4 -51.3 -11.7 -0.4 -6.9 43 44 A V H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 5,-0.2 0.932 114.7 50.8 -70.4 -36.3 -15.1 1.3 -6.8 44 45 A E H X>S+ 0 0 7 -4,-2.7 4,-2.4 -5,-0.3 5,-1.2 0.890 106.6 54.7 -64.9 -36.7 -13.6 4.4 -5.4 45 46 A H H X>S+ 0 0 50 -4,-2.1 5,-2.9 1,-0.2 4,-0.9 0.955 114.7 39.2 -62.4 -45.4 -10.9 4.5 -8.1 46 47 A F H <5S+ 0 0 67 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.465 121.7 42.2 -88.0 -0.3 -13.6 4.3 -10.9 47 48 A L H <5S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.602 134.2 12.6-112.7 -20.8 -16.1 6.7 -9.2 48 49 A A H <5S+ 0 0 6 -4,-2.4 3,-0.2 -5,-0.2 -3,-0.2 0.690 129.3 39.5-122.3 -38.9 -13.6 9.4 -7.9 49 50 A V T < + 0 0 90 -2,-0.3 3,-2.5 -3,-0.2 2,-0.1 0.251 30.1 140.2 -94.6 10.7 -14.7 8.3 -14.2 52 53 A V T 3 S+ 0 0 127 1,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.357 77.9 6.4 -61.4 123.5 -13.9 7.9 -17.9 53 74 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.475 88.7 151.7 85.0 -2.2 -16.6 5.7 -19.4 54 75 A L < + 0 0 45 -3,-2.5 -1,-0.3 1,-0.2 -3,-0.1 -0.439 11.8 164.9 -63.8 135.2 -18.7 5.4 -16.3 55 76 A T S S- 0 0 140 -2,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.551 74.8 -33.2-123.3 -24.8 -22.3 4.9 -17.2 56 77 A Y S S- 0 0 156 1,-0.1 -2,-0.1 -42,-0.0 -42,-0.0 0.169 118.2 -7.4-155.2 -60.7 -23.8 3.8 -13.8 57 78 A F - 0 0 13 -44,-0.1 2,-0.9 -43,-0.1 -2,-0.1 -0.993 68.7-107.7-150.6 140.8 -21.5 1.8 -11.6 58 79 A P - 0 0 14 0, 0.0 -44,-0.1 0, 0.0 -12,-0.1 -0.607 41.8-130.7 -77.1 108.9 -18.0 0.3 -12.1 59 80 A V - 0 0 51 -2,-0.9 2,-0.9 -46,-0.1 -46,-0.2 -0.373 12.8-145.7 -67.6 128.0 -18.8 -3.4 -12.4 60 81 A A B -A 12 0A 0 -48,-2.3 -48,-2.4 -2,-0.1 2,-0.2 -0.868 16.3-159.5 -96.6 98.7 -16.4 -5.4 -10.1 61 82 A D > - 0 0 72 -2,-0.9 4,-2.4 -50,-0.2 5,-0.2 -0.557 21.7-128.1 -79.6 142.2 -15.8 -8.6 -11.9 62 83 A L H > S+ 0 0 53 -2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.901 107.7 58.6 -58.1 -42.8 -14.5 -11.6 -9.8 63 84 A S H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 110.4 43.3 -55.0 -41.9 -11.6 -12.2 -12.2 64 85 A I H > S+ 0 0 77 2,-0.2 4,-2.2 -3,-0.2 5,-0.2 0.955 118.3 43.1 -65.4 -54.6 -10.3 -8.6 -11.5 65 86 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.929 113.9 50.4 -61.9 -43.9 -10.9 -8.7 -7.8 66 87 A A H X S+ 0 0 30 -4,-3.6 4,-2.5 -5,-0.2 -1,-0.2 0.860 109.2 52.8 -63.4 -34.6 -9.5 -12.2 -7.3 67 88 A A H X S+ 0 0 57 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.931 111.3 45.3 -69.1 -41.2 -6.3 -11.2 -9.3 68 89 A L H X S+ 0 0 17 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.896 112.6 51.9 -64.4 -45.5 -5.7 -8.2 -7.0 69 90 A Y H X S+ 0 0 13 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.930 110.1 49.3 -57.9 -43.1 -6.5 -10.4 -3.9 70 91 A A H X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.856 106.5 54.7 -68.1 -34.5 -3.9 -12.9 -5.1 71 92 A R H X S+ 0 0 151 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.927 112.9 44.4 -62.7 -44.4 -1.3 -10.3 -5.7 72 93 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.967 115.1 44.5 -61.5 -53.6 -1.7 -9.1 -2.1 73 94 A T H X S+ 0 0 10 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.910 114.2 52.6 -65.1 -35.6 -1.8 -12.5 -0.4 74 95 A A H X S+ 0 0 64 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.894 109.2 49.0 -61.4 -42.8 1.2 -13.6 -2.6 75 96 A Q H X S+ 0 0 69 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.920 116.5 40.4 -65.6 -44.2 3.2 -10.7 -1.6 76 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 3,-0.3 0.956 115.9 48.5 -72.7 -47.4 2.6 -11.1 2.1 77 98 A R H < S+ 0 0 120 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.5 48.6 -60.3 -38.6 2.9 -14.8 2.2 78 99 A G H < S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.817 118.1 38.9 -69.7 -30.7 6.1 -14.8 0.2 79 100 A A H < S+ 0 0 40 -4,-1.3 2,-0.7 -3,-0.3 -2,-0.2 0.736 110.7 59.3 -94.0 -26.9 7.8 -12.1 2.3 80 101 A V < - 0 0 4 -4,-2.6 2,-1.1 -5,-0.1 -1,-0.2 -0.847 66.0-167.3-107.8 100.9 6.5 -13.1 5.8 81 102 A D > - 0 0 81 -2,-0.7 3,-1.9 1,-0.2 4,-0.2 -0.697 4.6-162.3 -87.4 102.1 7.7 -16.7 6.7 82 103 A L G > S+ 0 0 64 -2,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.703 80.4 71.6 -58.8 -23.6 5.7 -17.7 9.8 83 104 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.725 91.3 60.1 -65.9 -18.4 8.0 -20.5 10.8 84 105 A L G < S+ 0 0 116 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.580 107.6 47.4 -81.1 -10.2 10.6 -18.0 11.8 85 106 A Y S < S- 0 0 46 -3,-1.7 -1,-0.2 -4,-0.2 8,-0.2 -0.662 84.9-151.7-135.7 69.9 8.1 -16.5 14.4 86 107 A P - 0 0 96 0, 0.0 2,-0.7 0, 0.0 10,-0.1 -0.199 6.6-144.2 -51.4 135.5 6.5 -19.4 16.4 87 108 A R > - 0 0 81 5,-0.1 3,-0.7 -5,-0.0 2,-0.3 -0.769 17.3-176.9-110.1 87.9 3.0 -18.7 17.7 88 109 A E G > S+ 0 0 142 -2,-0.7 3,-1.2 1,-0.2 0, 0.0 -0.604 72.0 8.0 -71.6 133.9 2.2 -20.1 21.2 89 110 A G G 3 S- 0 0 77 1,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.484 120.7 -71.9 87.1 10.0 -1.4 -19.5 22.4 90 111 A G G < S+ 0 0 44 -3,-0.7 2,-0.4 1,-0.3 -1,-0.3 0.787 104.4 127.8 63.4 29.7 -2.9 -18.0 19.3 91 112 A V < - 0 0 31 -3,-1.2 -1,-0.3 74,-0.1 2,-0.2 -0.964 53.3-137.4-121.0 137.5 -0.8 -15.0 20.1 92 113 A S - 0 0 3 -2,-0.4 2,-0.2 -5,-0.1 -5,-0.1 -0.493 18.6-123.4 -86.6 155.9 1.5 -13.1 17.8 93 114 A S > - 0 0 27 -8,-0.2 4,-2.2 -2,-0.2 5,-0.2 -0.662 18.9-117.3 -96.5 159.7 4.9 -11.8 18.8 94 115 A R H > S+ 0 0 67 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.872 115.8 55.3 -58.9 -38.4 6.3 -8.3 18.5 95 116 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 107.8 49.1 -63.7 -40.3 8.9 -9.4 16.0 96 117 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 110.7 48.8 -63.6 -45.3 6.2 -10.8 13.8 97 118 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 112.2 49.9 -64.9 -40.3 4.1 -7.7 13.9 98 119 A K H X S+ 0 0 64 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.893 108.6 53.1 -63.0 -39.7 7.3 -5.6 13.1 99 120 A K H X S+ 0 0 71 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.934 110.3 46.4 -61.2 -44.6 8.1 -7.9 10.2 100 121 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.937 112.3 50.3 -62.4 -48.7 4.6 -7.4 8.7 101 122 A S H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.922 111.0 50.3 -51.8 -45.4 4.9 -3.7 9.2 102 123 A D H X S+ 0 0 40 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.891 107.4 53.6 -61.7 -42.2 8.3 -3.7 7.5 103 124 A V H X S+ 0 0 10 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.929 112.9 42.9 -59.4 -47.1 6.9 -5.7 4.5 104 125 A I H >X S+ 0 0 0 -4,-2.2 3,-0.8 2,-0.2 4,-0.5 0.961 117.8 46.2 -61.7 -50.8 4.2 -3.1 4.0 105 126 A W H >< S+ 0 0 74 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.920 110.4 50.9 -62.0 -46.0 6.5 -0.2 4.5 106 127 A N H 3< S+ 0 0 119 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.649 104.0 61.4 -68.8 -18.2 9.3 -1.4 2.3 107 128 A S H << S+ 0 0 30 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.626 84.0 102.4 -76.9 -15.0 6.7 -2.0 -0.5 108 129 A L S << S- 0 0 26 -3,-1.5 22,-0.2 -4,-0.5 21,-0.1 -0.402 86.5 -92.3 -76.0 150.1 5.8 1.6 -0.8 109 130 A S - 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0 0 3 -13,-1.9 4,-1.8 -2,-0.3 -17,-0.1 -0.204 46.1 -87.7 -82.8 175.0 -1.5 7.3 3.6 133 154 A S H > S+ 0 0 9 -19,-0.4 4,-1.1 1,-0.3 3,-0.3 0.936 127.6 35.9 -57.0 -54.7 -0.5 7.1 7.2 134 155 A S H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.817 109.3 66.0 -70.6 -26.9 -3.5 5.4 8.6 135 156 A G H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.859 96.6 56.8 -63.1 -32.4 -3.7 3.2 5.4 136 157 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 -3,-0.3 -1,-0.2 0.951 106.9 48.7 -63.4 -44.9 -0.4 1.6 6.4 137 158 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.930 111.9 48.9 -62.6 -44.5 -1.8 0.6 9.8 138 159 A F H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.935 110.0 51.3 -60.3 -40.0 -4.9 -0.9 8.1 139 160 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.849 106.1 54.0 -64.4 -37.1 -2.8 -2.7 5.6 140 161 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.936 110.9 47.2 -61.9 -42.6 -0.7 -4.2 8.4 141 162 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.929 112.3 50.0 -68.1 -37.6 -3.9 -5.5 10.0 142 163 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -108,-0.2 0.913 110.8 48.7 -64.7 -40.5 -5.2 -6.9 6.7 143 164 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.898 109.2 53.0 -66.4 -42.8 -1.9 -8.6 6.0 144 165 A C H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-0.4 0.917 108.8 49.7 -59.6 -41.6 -2.0 -10.1 9.5 145 166 A Q H ><5S+ 0 0 27 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.926 107.7 54.1 -60.6 -42.3 -5.5 -11.5 8.9 146 167 A A H 3<5S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 108.9 49.8 -60.4 -31.1 -4.3 -13.0 5.6 147 168 A L T 3<5S- 0 0 19 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.504 121.6-108.2 -83.9 -3.4 -1.6 -14.7 7.6 148 169 A G T < 5 + 0 0 43 -3,-1.8 2,-1.5 -4,-0.4 -3,-0.2 0.660 68.4 147.3 81.2 20.2 -4.1 -16.1 10.2 149 170 A L > < + 0 0 1 -5,-2.9 3,-1.6 1,-0.2 -1,-0.2 -0.633 17.9 174.7 -93.3 82.2 -3.0 -13.8 13.0 150 171 A R T 3 S+ 0 0 170 -2,-1.5 -1,-0.2 1,-0.3 -5,-0.1 0.610 70.2 60.8 -67.4 -21.3 -6.4 -13.5 14.6 151 172 A D T 3 S+ 0 0 22 -61,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.567 79.3 98.7 -84.6 -10.2 -5.0 -11.4 17.6 152 173 A V < + 0 0 0 -3,-1.6 2,-0.3 13,-0.1 13,-0.2 -0.700 52.6 166.8 -84.7 120.5 -3.7 -8.5 15.5 153 174 A H E -C 164 0C 36 11,-2.7 11,-2.3 -2,-0.5 2,-0.3 -0.913 37.4-101.2-133.7 159.3 -6.1 -5.6 15.5 154 175 A L E -C 163 0C 0 -2,-0.3 55,-2.6 9,-0.2 2,-0.4 -0.624 28.5-160.5 -80.7 136.4 -6.3 -1.9 14.6 155 176 A A E -CD 162 208C 0 7,-3.0 7,-2.1 -2,-0.3 2,-0.4 -0.946 12.5-170.1-113.2 140.8 -6.0 0.7 17.4 156 177 A L E -CD 161 207C 2 51,-2.1 51,-2.9 -2,-0.4 5,-0.2 -0.986 16.2-179.2-136.8 131.8 -7.3 4.2 16.7 157 178 A S - 0 0 4 3,-2.6 44,-0.1 -2,-0.4 43,-0.1 -0.244 56.8 -85.9 -99.6-162.2 -7.1 7.5 18.4 158 179 A E S S+ 0 0 1 41,-0.4 42,-0.1 1,-0.1 43,-0.1 0.608 125.3 15.5 -84.9 -7.0 -8.7 10.6 17.0 159 180 A D S S+ 0 0 11 41,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.225 122.0 46.9-147.5 12.0 -5.6 11.4 14.8 160 181 A H - 0 0 2 40,-0.1 -3,-2.6 18,-0.1 2,-0.3 -0.986 55.0-150.7-156.0 162.2 -3.4 8.2 14.7 161 182 A A E +C 156 0C 0 -2,-0.3 14,-0.4 -5,-0.2 15,-0.3 -0.995 23.0 146.2-137.8 145.1 -3.5 4.5 14.2 162 183 A W E -C 155 0C 0 -7,-2.1 -7,-3.0 -2,-0.3 2,-0.3 -0.744 39.6 -91.7-154.4-164.5 -1.4 1.5 15.4 163 184 A V E -CE 154 173C 0 10,-2.4 10,-2.6 -9,-0.2 2,-0.3 -0.902 17.1-156.1-126.9 152.6 -1.9 -2.1 16.3 164 185 A V E +CE 153 172C 6 -11,-2.3 -11,-2.7 -2,-0.3 2,-0.3 -0.918 32.6 133.9-118.0 151.3 -2.8 -4.2 19.3 165 186 A F E + E 0 171C 4 6,-2.0 6,-2.3 -2,-0.3 -13,-0.1 -0.961 22.1 65.8-163.3 179.7 -1.9 -7.9 19.7 166 187 A G S > S+ 0 0 3 -2,-0.3 3,-3.0 3,-0.2 -73,-0.1 -0.231 85.9 10.5 98.0-168.4 -0.4 -10.5 21.9 167 188 A P G > S- 0 0 60 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.209 139.3 -13.8 -51.7 122.7 -1.4 -12.1 25.2 168 189 A N G 3 S- 0 0 152 1,-0.2 -2,-0.1 2,-0.1 -77,-0.0 0.609 115.6 -77.7 56.4 14.0 -4.9 -11.0 25.9 169 190 A G G < S+ 0 0 25 -3,-3.0 -1,-0.2 1,-0.1 -3,-0.2 0.681 101.1 126.7 74.0 16.9 -4.7 -8.3 23.2 170 191 A E < + 0 0 108 -3,-1.9 2,-0.2 -6,-0.1 -4,-0.2 0.614 38.2 91.8 -90.7 -17.2 -2.6 -6.2 25.6 171 192 A Q E -E 165 0C 64 -6,-2.3 -6,-2.0 -4,-0.2 2,-0.4 -0.578 57.1-157.9 -80.0 144.3 0.4 -5.4 23.6 172 193 A T E -E 164 0C 5 -2,-0.2 2,-0.4 -8,-0.2 -8,-0.2 -0.951 8.8-175.4-117.2 147.8 0.7 -2.2 21.4 173 194 A A E -E 163 0C 2 -10,-2.6 -10,-2.4 -2,-0.4 16,-0.2 -0.967 23.9-132.3-143.2 133.2 2.9 -1.5 18.4 174 195 A E + 0 0 4 14,-2.5 13,-2.8 11,-0.4 -12,-0.1 -0.521 31.1 165.7 -69.4 133.6 3.5 1.5 16.2 175 196 A V + 0 0 1 -14,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.415 56.1 32.7-129.4 -6.8 3.3 0.4 12.6 176 197 A T S S- 0 0 2 -15,-0.3 9,-0.4 -40,-0.0 2,-0.2 -0.803 81.6 -92.6-140.2 178.1 3.1 3.7 10.7 177 198 A W - 0 0 42 -2,-0.3 2,-0.4 7,-0.1 -16,-0.2 -0.569 28.3-144.3 -90.8 161.9 4.2 7.3 10.8 178 199 A H - 0 0 22 -2,-0.2 4,-0.3 -18,-0.1 -18,-0.1 -0.999 54.2 -28.0-129.2 130.4 2.4 10.3 12.2 179 200 A G S S- 0 0 35 -2,-0.4 2,-0.4 2,-0.1 -2,-0.0 -0.237 88.1 -59.9 71.2-150.2 2.3 13.8 10.9 180 201 A K S S+ 0 0 166 1,-0.1 3,-0.1 -3,-0.0 -1,-0.1 -0.999 114.6 7.0-147.6 121.2 5.1 15.4 9.0 181 202 A G S S+ 0 0 91 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.697 96.2 133.4 69.4 18.4 8.7 15.9 10.1 182 203 A N - 0 0 63 -4,-0.3 2,-0.6 153,-0.0 -1,-0.3 -0.590 64.2-103.1 -90.2 162.3 7.8 13.8 13.1 183 204 A E - 0 0 164 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.861 33.1-119.7 -99.5 121.6 10.1 11.1 14.3 184 205 A D - 0 0 68 -2,-0.6 -7,-0.1 1,-0.1 -1,-0.0 -0.274 26.3-178.8 -59.5 129.8 9.1 7.4 13.5 185 206 A R > + 0 0 71 -9,-0.4 3,-2.7 3,-0.1 -11,-0.4 -0.072 20.2 165.3-119.6 28.8 8.5 5.0 16.5 186 207 A R T 3 + 0 0 40 1,-0.3 -11,-0.2 -13,-0.1 3,-0.1 -0.184 66.9 20.7 -59.9 135.9 7.7 1.9 14.5 187 208 A G T 3 S+ 0 0 17 -13,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.083 100.8 111.6 95.3 -24.2 7.9 -1.2 16.7 188 209 A Q < - 0 0 104 -3,-2.7 -14,-2.5 1,-0.1 -1,-0.3 -0.399 69.4-110.3 -83.0 160.9 7.5 0.7 20.0 189 210 A T - 0 0 43 -16,-0.2 3,-0.3 -2,-0.1 4,-0.2 -0.299 20.3-124.0 -71.8 171.1 4.6 0.6 22.4 190 211 A V S > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.241 80.0 109.0 -96.5 9.9 2.3 3.5 22.9 191 212 A N H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 72.3 52.8 -64.4 -33.6 2.9 3.6 26.6 192 213 A A H > S+ 0 0 76 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.923 110.5 49.5 -66.1 -38.3 5.0 6.8 26.7 193 214 A G H 4>S+ 0 0 7 2,-0.2 5,-1.4 1,-0.2 4,-0.4 0.895 111.9 46.8 -65.8 -37.5 2.4 8.6 24.8 194 215 A V H ><5S+ 0 0 37 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.934 113.0 50.9 -66.9 -47.3 -0.4 7.4 27.1 195 216 A A H 3<5S+ 0 0 79 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.846 104.1 57.4 -60.0 -31.7 1.8 8.3 30.2 196 217 A E T 3<5S- 0 0 97 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.521 105.9-129.4 -74.1 -14.4 2.4 11.8 28.8 197 218 A R T < 5 + 0 0 106 -3,-1.4 134,-2.7 -4,-0.4 -3,-0.2 0.823 48.4 164.6 64.4 34.2 -1.4 12.4 28.8 198 219 A S B >>X -f 331 0D 3 -5,-1.4 5,-0.9 132,-0.2 3,-0.7 -0.476 48.4-124.2 -73.2 152.4 -1.2 13.7 25.1 199 220 A W G >45S+ 0 0 0 132,-0.5 3,-1.2 1,-0.2 -41,-0.4 0.889 105.9 70.0 -58.6 -35.3 -4.4 14.0 23.1 200 221 A L G 345S+ 0 0 1 1,-0.3 -41,-0.3 -43,-0.1 -1,-0.2 0.817 108.7 32.7 -59.1 -30.0 -2.8 11.7 20.4 201 222 A Y G X45S- 0 0 4 -3,-0.7 3,-2.4 -8,-0.3 -1,-0.3 0.353 100.0-133.1-109.7 5.5 -3.0 8.6 22.7 202 223 A L G X<5 - 0 0 0 -3,-1.2 3,-2.5 -4,-0.6 -3,-0.2 0.721 57.3 -73.7 57.5 28.9 -6.2 9.6 24.5 203 224 A K G 3 - 0 0 73 -2,-0.1 4,-1.8 -57,-0.1 5,-0.2 -0.499 48.8 -88.0 -92.5 178.6 -12.5 -6.0 16.5 211 232 A R H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.858 129.6 53.6 -62.2 -31.8 -12.7 -7.2 12.9 212 233 A K H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 107.5 49.9 -72.1 -34.3 -16.2 -5.6 12.5 213 234 A M H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.832 105.8 58.4 -68.5 -28.6 -14.9 -2.2 13.7 214 235 A E H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.878 104.1 51.4 -66.4 -37.7 -12.0 -2.6 11.2 215 236 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.937 107.5 52.2 -59.7 -44.2 -14.7 -2.8 8.5 216 237 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.922 106.3 55.0 -57.0 -41.7 -16.2 0.3 9.9 217 238 A F H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.925 106.7 49.2 -59.0 -44.7 -12.8 2.0 9.7 218 239 A M H < S+ 0 0 10 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.847 110.7 51.0 -64.5 -33.1 -12.5 1.2 6.0 219 240 A V H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.939 109.9 48.3 -68.9 -46.7 -16.0 2.5 5.4 220 241 A C H 3< S+ 0 0 6 -4,-2.8 257,-0.7 1,-0.2 -2,-0.2 0.794 106.1 61.6 -57.9 -29.0 -15.2 5.8 7.2 221 242 A A T 3< S+ 0 0 12 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.566 74.3 115.9 -78.8 -11.1 -12.0 5.9 5.1 222 243 A I < - 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