==== 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 4GQ4 . 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. . 468 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.8 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 . 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 . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 1 1 1 0 1 1 0 4 2 2 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 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 72 0, 0.0 2,-0.3 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 162.9 -7.2 -17.8 -1.4 2 3 A L - 0 0 23 64,-0.1 2,-0.2 1,-0.1 5,-0.0 -0.590 360.0-122.5 -71.8 144.1 -10.9 -16.7 -1.5 3 4 A K >> - 0 0 133 -2,-0.3 3,-1.2 1,-0.1 4,-0.6 -0.549 20.4-110.8 -87.2 153.3 -13.4 -19.3 -0.5 4 5 A A H >> S+ 0 0 80 1,-0.3 3,-1.5 -2,-0.2 4,-0.6 0.871 117.9 55.1 -47.0 -45.6 -16.2 -20.4 -2.8 5 6 A A H 34 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.749 103.3 55.4 -65.2 -27.2 -18.8 -18.7 -0.5 6 7 A Q H <4 S+ 0 0 11 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.621 107.1 52.8 -77.2 -15.3 -17.0 -15.4 -0.8 7 8 A K H X< S+ 0 0 83 -3,-1.5 3,-1.0 -4,-0.6 -1,-0.2 0.581 81.3 87.2 -94.0 -20.9 -17.2 -15.5 -4.6 8 9 A T T 3< S+ 0 0 109 -4,-0.6 -1,-0.1 -3,-0.3 -2,-0.1 0.728 82.7 56.4 -67.2 -21.3 -20.9 -16.2 -5.2 9 10 A L T 3 S+ 0 0 66 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.740 87.2 144.9 -83.3 -15.4 -22.1 -12.5 -5.3 10 11 A F < + 0 0 23 -3,-1.0 51,-0.1 -4,-0.1 2,-0.1 -0.345 37.9 55.5 -66.8 144.9 -19.7 -11.5 -8.0 11 12 A P S S- 0 0 40 0, 0.0 2,-0.7 0, 0.0 50,-0.2 0.450 74.8-151.0 -79.6 150.0 -20.0 -9.6 -10.3 12 13 A L B +A 60 0A 0 48,-2.3 48,-2.4 1,-0.1 -2,-0.1 -0.784 23.1 170.1 -88.1 116.0 -20.9 -6.6 -8.2 13 14 A R + 0 0 147 -2,-0.7 2,-0.3 46,-0.2 -1,-0.1 0.366 55.7 17.1-108.7 -2.7 -23.0 -4.4 -10.5 14 15 A S S > S- 0 0 19 1,-0.1 4,-1.7 44,-0.1 5,-0.1 -0.976 82.3 -92.9-161.3 165.3 -24.3 -1.7 -8.1 15 16 A I H > S+ 0 0 9 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 0.904 124.3 54.1 -47.8 -50.7 -24.0 0.0 -4.8 16 17 A D H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 103.4 54.5 -63.6 -34.6 -26.5 -2.5 -3.4 17 18 A D H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 107.8 50.6 -64.0 -37.6 -24.4 -5.5 -4.6 18 19 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.933 109.1 50.7 -64.4 -43.8 -21.5 -4.0 -2.7 19 20 A V H X S+ 0 0 27 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.909 108.0 54.4 -59.1 -42.2 -23.7 -3.7 0.5 20 21 A R H X S+ 0 0 128 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.882 106.9 50.7 -61.2 -40.0 -24.7 -7.3 0.0 21 22 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.919 110.8 47.8 -62.1 -46.0 -21.1 -8.4 -0.0 22 23 A F H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.898 111.2 51.6 -60.9 -42.3 -20.4 -6.5 3.2 23 24 A A H X S+ 0 0 41 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.910 110.8 47.8 -59.6 -42.8 -23.4 -8.0 4.8 24 25 A A H >< S+ 0 0 48 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.938 114.3 46.0 -64.8 -47.7 -22.3 -11.5 3.8 25 26 A E H >< S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.904 108.7 54.9 -65.7 -35.6 -18.8 -10.9 5.1 26 27 A L H 3< S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.689 104.9 56.2 -69.5 -18.5 -20.0 -9.3 8.3 27 28 A G T << S+ 0 0 70 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.520 94.0 92.4 -87.6 -6.5 -22.0 -12.6 8.9 28 29 A R S < S- 0 0 83 -3,-1.4 -3,-0.0 -4,-0.4 0, 0.0 -0.379 94.3-105.3 -89.6 163.4 -18.9 -14.7 8.6 29 30 A E S S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.921 112.4 7.3 -47.8 -49.8 -16.6 -15.8 11.5 30 31 A E S S- 0 0 46 181,-0.1 -1,-0.3 182,-0.0 -4,-0.1 -0.979 83.8-129.7-138.3 101.2 -14.0 -13.2 10.4 31 32 A P - 0 0 0 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.367 31.7-112.2 -55.9 144.4 -14.9 -10.6 7.6 32 33 A D > - 0 0 16 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.615 31.3-172.2 -87.5 103.2 -12.2 -10.6 5.0 33 34 A L H > S+ 0 0 0 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.833 83.0 53.6 -65.1 -36.2 -10.5 -7.2 5.4 34 35 A V H > S+ 0 0 0 108,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 111.1 45.4 -65.6 -47.1 -8.4 -7.7 2.2 35 36 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.931 115.4 46.4 -57.8 -50.8 -11.3 -8.5 0.0 36 37 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.902 112.7 48.3 -67.6 -39.4 -13.4 -5.7 1.4 37 38 A S H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 86,-0.5 0.877 110.9 51.3 -68.5 -41.5 -10.7 -3.0 1.1 38 39 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.901 111.2 48.7 -59.4 -45.0 -9.8 -4.1 -2.5 39 40 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.944 113.0 46.2 -61.3 -49.8 -13.5 -3.8 -3.5 40 41 A L H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.925 114.4 48.2 -61.9 -39.5 -14.0 -0.4 -1.9 41 42 A G H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.882 110.1 52.0 -70.2 -35.5 -10.7 0.9 -3.4 42 43 A F H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.951 114.5 41.4 -61.0 -52.9 -11.7 -0.5 -6.8 43 44 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 5,-0.3 0.959 114.4 52.6 -67.2 -42.8 -15.1 1.2 -6.9 44 45 A E H X>S+ 0 0 5 -4,-2.7 4,-2.4 -5,-0.3 5,-1.1 0.916 107.3 52.7 -56.4 -40.1 -13.6 4.4 -5.3 45 46 A H H X>S+ 0 0 49 -4,-2.3 5,-2.8 1,-0.2 4,-0.9 0.947 114.5 40.7 -61.7 -43.3 -11.0 4.5 -8.0 46 47 A F H <5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.565 121.9 41.7 -87.0 -6.4 -13.6 4.3 -10.8 47 48 A L H <5S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.615 133.5 13.3-105.5 -23.9 -16.1 6.6 -9.2 48 49 A A H <5S+ 0 0 5 -4,-2.4 3,-0.2 -5,-0.3 -3,-0.2 0.667 128.0 40.5-122.7 -34.4 -13.7 9.3 -7.9 49 50 A V T < + 0 0 88 -2,-0.3 3,-2.2 -3,-0.2 2,-0.1 0.262 30.6 139.4 -93.2 10.9 -14.8 8.4 -14.2 52 53 A V T 3 S+ 0 0 127 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.354 77.1 7.5 -61.0 127.1 -14.0 8.0 -17.9 53 74 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.341 88.7 151.7 86.7 -7.7 -16.5 5.7 -19.4 54 75 A L < + 0 0 46 -3,-2.2 -1,-0.3 1,-0.2 -3,-0.1 -0.347 11.8 163.0 -61.1 134.8 -18.8 5.5 -16.4 55 76 A T S S- 0 0 141 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.563 76.3 -32.4-122.9 -23.2 -22.4 4.9 -17.2 56 77 A Y S S- 0 0 154 -42,-0.0 -2,-0.1 1,-0.0 178,-0.0 0.133 117.6 -9.6-157.5 -61.6 -23.9 3.7 -13.9 57 78 A F - 0 0 15 -44,-0.1 2,-1.0 -43,-0.1 -2,-0.1 -0.990 67.1-107.8-154.1 139.0 -21.5 1.7 -11.6 58 79 A P - 0 0 17 0, 0.0 -44,-0.1 0, 0.0 2,-0.1 -0.544 41.7-131.0 -75.2 106.9 -18.0 0.2 -12.2 59 80 A V - 0 0 49 -2,-1.0 2,-0.9 -46,-0.1 -46,-0.2 -0.309 12.7-146.4 -62.2 126.6 -18.8 -3.5 -12.4 60 81 A A B -A 12 0A 0 -48,-2.4 -48,-2.3 -2,-0.1 2,-0.3 -0.845 17.0-160.3 -99.4 102.0 -16.4 -5.4 -10.1 61 82 A D > - 0 0 69 -2,-0.9 4,-2.3 -50,-0.2 3,-0.3 -0.591 23.4-124.6 -79.8 146.2 -15.8 -8.8 -11.8 62 83 A L H > S+ 0 0 54 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.900 109.2 57.0 -56.6 -41.5 -14.5 -11.6 -9.8 63 84 A S H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 109.4 45.3 -58.4 -40.1 -11.5 -12.1 -12.1 64 85 A I H > S+ 0 0 80 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.938 117.5 42.7 -69.0 -48.6 -10.4 -8.6 -11.5 65 86 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.911 113.6 52.2 -64.9 -45.4 -10.9 -8.6 -7.7 66 87 A A H X S+ 0 0 31 -4,-3.4 4,-2.5 -5,-0.3 -1,-0.2 0.877 108.0 51.1 -61.3 -36.9 -9.4 -12.1 -7.3 67 88 A A H X S+ 0 0 57 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.913 111.3 47.9 -68.7 -39.3 -6.2 -11.1 -9.3 68 89 A L H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.931 112.3 50.4 -60.9 -45.2 -5.8 -8.0 -6.9 69 90 A Y H X S+ 0 0 16 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.911 109.1 51.4 -60.4 -44.4 -6.3 -10.3 -3.9 70 91 A A H X S+ 0 0 52 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.855 106.9 52.6 -62.8 -36.4 -3.7 -12.7 -5.2 71 92 A R H X S+ 0 0 159 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.890 112.8 45.9 -68.6 -37.3 -1.1 -10.0 -5.7 72 93 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.968 115.5 43.4 -64.4 -55.0 -1.6 -8.9 -2.1 73 94 A T H X S+ 0 0 13 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.889 114.7 51.3 -62.4 -38.0 -1.5 -12.4 -0.6 74 95 A A H X S+ 0 0 65 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.905 109.4 50.0 -61.8 -43.3 1.5 -13.3 -2.8 75 96 A Q H X S+ 0 0 75 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.910 118.2 38.9 -64.6 -43.2 3.4 -10.2 -1.7 76 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.946 117.5 46.0 -74.7 -49.4 2.7 -10.9 2.1 77 98 A R H < S+ 0 0 110 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.856 114.2 49.7 -67.0 -33.4 3.1 -14.6 2.2 78 99 A G H < S+ 0 0 71 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.843 117.3 40.1 -69.8 -32.9 6.3 -14.5 0.1 79 100 A A H < S+ 0 0 43 -4,-1.1 2,-0.7 -5,-0.2 -2,-0.2 0.718 109.4 58.4 -92.6 -21.4 7.9 -11.8 2.3 80 101 A V < - 0 0 4 -4,-2.1 2,-1.0 -5,-0.1 -1,-0.2 -0.879 65.1-164.9-117.8 106.2 6.9 -13.0 5.8 81 102 A D > - 0 0 84 -2,-0.7 3,-2.0 1,-0.2 4,-0.2 -0.739 3.9-162.6 -91.8 101.6 8.1 -16.5 6.6 82 103 A L G > S+ 0 0 37 -2,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.728 81.7 72.2 -61.5 -22.8 6.0 -17.5 9.7 83 104 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.701 91.8 58.3 -67.0 -18.3 8.4 -20.3 10.6 84 105 A L G < S+ 0 0 117 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.569 109.3 45.4 -82.0 -11.2 10.9 -17.7 11.7 85 106 A Y S < S- 0 0 45 -3,-1.6 -1,-0.2 -4,-0.2 8,-0.2 -0.666 82.8-157.1-132.9 68.2 8.4 -16.3 14.2 86 107 A P - 0 0 81 0, 0.0 2,-1.2 0, 0.0 10,-0.1 -0.253 20.8-123.4 -55.6 134.8 6.8 -19.2 16.1 87 108 A R > - 0 0 100 5,-0.1 3,-1.2 -5,-0.0 2,-0.5 -0.696 21.8-152.8 -86.2 93.6 3.4 -18.2 17.6 88 109 A E G > S- 0 0 156 -2,-1.2 3,-0.7 1,-0.2 -1,-0.0 -0.519 78.1 -5.7 -64.1 113.0 3.7 -18.9 21.3 89 110 A G G 3 S- 0 0 77 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.747 123.6 -63.5 75.7 26.9 0.1 -19.6 22.6 90 111 A G G < S+ 0 0 69 -3,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.749 114.4 109.5 71.7 13.8 -1.9 -18.8 19.4 91 112 A V < - 0 0 32 -3,-0.7 -1,-0.3 59,-0.1 -3,-0.1 -0.919 67.2-112.1-125.0 157.5 -0.6 -15.2 19.7 92 113 A S - 0 0 6 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.1 -0.403 22.4-127.7 -89.3 159.4 1.8 -13.1 17.7 93 114 A S > - 0 0 31 -8,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.697 22.8-115.9-100.0 158.7 5.2 -11.7 18.7 94 115 A R H > S+ 0 0 65 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.874 116.3 55.6 -59.0 -39.9 6.5 -8.1 18.5 95 116 A E H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 107.1 48.9 -63.2 -39.2 9.1 -9.2 15.9 96 117 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.930 111.4 48.8 -67.8 -45.5 6.5 -10.7 13.7 97 118 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.926 112.0 49.5 -59.7 -43.8 4.3 -7.5 13.8 98 119 A K H X S+ 0 0 64 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.884 109.1 53.2 -64.1 -39.5 7.4 -5.3 13.1 99 120 A K H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 109.2 47.6 -61.6 -44.1 8.2 -7.6 10.1 100 121 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.920 112.3 50.2 -63.0 -46.0 4.8 -7.2 8.7 101 122 A S H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.921 110.6 49.8 -55.0 -46.0 5.0 -3.4 9.2 102 123 A D H X S+ 0 0 40 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.882 107.6 54.0 -62.1 -39.7 8.4 -3.4 7.4 103 124 A V H X S+ 0 0 15 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.935 114.3 41.1 -61.9 -46.7 7.0 -5.4 4.5 104 125 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.5 0.970 117.6 46.8 -64.3 -50.0 4.3 -2.9 3.9 105 126 A W H >< S+ 0 0 92 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.898 109.9 52.0 -61.4 -43.4 6.4 0.1 4.5 106 127 A N H 3< S+ 0 0 114 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.645 102.8 62.4 -68.6 -17.7 9.3 -1.0 2.3 107 128 A S T << S+ 0 0 42 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.598 83.4 103.6 -79.9 -15.7 6.8 -1.6 -0.6 108 129 A L S < S- 0 0 25 -3,-1.3 22,-0.2 -4,-0.5 21,-0.1 -0.391 85.3 -92.2 -81.5 146.8 5.7 2.0 -0.8 109 130 A S - 0 0 36 20,-3.0 3,-0.1 19,-0.2 -1,-0.1 -0.251 35.0-123.7 -52.4 147.5 6.9 4.4 -3.5 110 131 A R S S+ 0 0 108 1,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.795 92.5 23.2 -68.2 -34.6 10.0 6.3 -2.4 111 132 A S S S+ 0 0 111 2,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.989 75.1 124.0-143.6 121.6 8.5 9.7 -2.9 112 133 A Y - 0 0 27 -2,-0.4 2,-0.6 -3,-0.1 0, 0.0 -0.951 61.7 -87.2-166.5 162.2 4.8 10.8 -2.9 113 134 A F > - 0 0 145 -2,-0.3 3,-0.9 1,-0.1 -2,-0.0 -0.636 32.6-162.4 -78.3 119.8 2.5 13.2 -1.3 114 135 A K T 3 S+ 0 0 74 -2,-0.6 19,-0.3 1,-0.2 -1,-0.1 0.588 83.9 61.6 -80.9 -14.8 1.0 11.5 1.8 115 136 A D T 3 S+ 0 0 144 17,-0.1 -1,-0.2 18,-0.0 17,-0.1 0.273 77.9 124.9 -91.8 3.7 -2.0 13.8 2.2 116 137 A R X - 0 0 148 -3,-0.9 3,-0.6 1,-0.1 2,-0.2 -0.274 64.0-112.7 -61.4 150.1 -3.4 12.9 -1.2 117 138 A A T 3 S+ 0 0 44 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.496 93.1 28.6 -73.0 152.4 -7.0 11.6 -1.4 118 139 A H T 3 S+ 0 0 37 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.711 83.5 107.1 69.7 28.9 -7.7 8.0 -2.4 119 140 A I < + 0 0 13 -3,-0.6 13,-2.0 1,-0.1 16,-0.1 -0.087 53.1 91.0-120.4 35.1 -4.5 6.4 -1.1 120 141 A Q S S+ 0 0 23 11,-0.2 2,-0.2 101,-0.1 -1,-0.1 0.653 71.2 73.3-101.2 -22.9 -6.2 4.7 1.9 121 142 A S S > S- 0 0 10 -3,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.460 85.6-111.3-101.7 167.4 -7.1 1.3 0.5 122 143 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.782 116.3 65.3 -67.6 -22.0 -5.4 -1.9 -0.5 123 144 A F H > S+ 0 0 18 -86,-0.5 4,-2.8 1,-0.2 5,-0.4 0.935 104.1 45.9 -58.6 -46.0 -6.3 -1.0 -4.1 124 145 A S H >>S+ 0 0 10 -3,-0.3 4,-2.2 1,-0.2 6,-1.2 0.897 111.0 52.4 -60.8 -47.1 -4.0 2.0 -3.8 125 146 A F H X5S+ 0 0 2 -4,-1.8 4,-0.8 4,-0.2 -2,-0.2 0.938 117.0 37.9 -57.6 -45.5 -1.3 -0.1 -2.2 126 147 A I H <5S+ 0 0 19 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.922 126.5 33.1 -74.2 -45.3 -1.3 -2.7 -5.0 127 148 A T H <5S+ 0 0 81 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.787 136.4 19.3 -87.4 -26.8 -1.9 -0.5 -8.0 128 149 A G H <5S- 0 0 18 -4,-2.2 -19,-0.2 -5,-0.4 -3,-0.2 0.383 88.4-129.4-119.3 -5.6 -0.0 2.6 -7.0 129 150 A T << + 0 0 57 -4,-0.8 -20,-3.0 -5,-0.6 2,-0.4 0.825 69.7 123.5 49.5 41.6 2.3 1.5 -4.2 130 151 A K + 0 0 69 -6,-1.2 2,-0.3 -22,-0.2 -1,-0.2 -0.990 32.4 167.7-135.2 138.9 1.0 4.4 -2.1 131 152 A L - 0 0 0 -2,-0.4 -11,-0.2 -22,-0.1 2,-0.1 -0.993 28.1-129.1-143.1 144.0 -0.7 4.5 1.3 132 153 A D > - 0 0 35 -13,-2.0 4,-1.8 -2,-0.3 -17,-0.1 -0.265 46.4 -88.1 -78.5 174.4 -1.5 7.3 3.7 133 154 A S H >> S+ 0 0 27 -19,-0.3 4,-1.2 1,-0.3 3,-0.5 0.936 127.8 36.9 -56.0 -57.3 -0.5 7.0 7.4 134 155 A S H 3> S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.799 109.1 66.8 -69.9 -25.4 -3.5 5.2 8.8 135 156 A G H 3> S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.852 97.6 53.7 -60.1 -37.7 -3.7 3.2 5.5 136 157 A V H S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.4 0.930 109.9 49.9 -62.5 -38.0 -1.8 -10.2 9.6 145 166 A Q H ><5S+ 0 0 27 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.956 108.7 53.0 -64.4 -40.5 -5.3 -11.5 9.0 146 167 A A H 3<5S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.9 50.9 -59.3 -37.5 -4.2 -12.9 5.7 147 168 A L T 3<5S- 0 0 22 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.461 122.2-106.9 -78.2 -7.0 -1.3 -14.7 7.6 148 169 A G T < 5S+ 0 0 54 -3,-1.8 2,-1.5 -4,-0.4 -3,-0.2 0.638 70.7 145.2 87.6 13.7 -3.8 -16.2 10.2 149 170 A L > < + 0 0 5 -5,-2.8 3,-1.6 1,-0.2 -1,-0.2 -0.622 19.1 174.4 -90.4 81.5 -2.7 -13.9 13.0 150 171 A R T 3 + 0 0 159 -2,-1.5 -1,-0.2 1,-0.3 -59,-0.1 0.665 69.9 62.4 -68.5 -17.2 -6.2 -13.5 14.7 151 172 A D T 3 S+ 0 0 22 -61,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.545 77.5 97.0 -86.3 -14.2 -4.8 -11.5 17.6 152 173 A V < + 0 0 0 -3,-1.6 2,-0.3 13,-0.1 13,-0.2 -0.729 52.9 169.4 -87.8 123.0 -3.5 -8.5 15.6 153 174 A H E -B 164 0B 37 11,-2.6 11,-2.5 -2,-0.6 2,-0.3 -0.908 36.7-100.4-135.3 154.2 -6.0 -5.6 15.7 154 175 A L E -B 163 0B 0 -2,-0.3 55,-2.6 9,-0.2 2,-0.4 -0.631 29.1-161.4 -73.5 132.3 -6.2 -2.0 14.7 155 176 A A E -BC 162 208B 0 7,-2.8 7,-2.5 -2,-0.3 2,-0.4 -0.942 13.3-168.9-114.1 137.0 -5.9 0.6 17.5 156 177 A L E -BC 161 207B 7 51,-2.0 51,-3.0 -2,-0.4 5,-0.2 -0.988 16.0-179.7-134.1 128.9 -7.2 4.1 16.8 157 178 A S - 0 0 6 3,-2.6 44,-0.1 -2,-0.4 43,-0.1 -0.384 53.7 -89.9-101.0-170.2 -7.0 7.4 18.4 158 179 A E S S+ 0 0 13 41,-0.4 42,-0.1 1,-0.2 43,-0.1 0.681 124.8 17.6 -75.1 -15.2 -8.6 10.6 17.1 159 180 A D S S+ 0 0 50 41,-0.4 2,-0.3 40,-0.1 -1,-0.2 0.242 123.7 39.8-137.0 9.5 -5.4 11.4 15.1 160 181 A H - 0 0 12 40,-0.1 -3,-2.6 18,-0.1 2,-0.3 -0.975 54.9-148.5-156.0 167.5 -3.3 8.2 14.8 161 182 A A E +B 156 0B 0 -2,-0.3 14,-0.4 -5,-0.2 15,-0.3 -0.992 24.0 147.0-142.4 145.7 -3.5 4.4 14.3 162 183 A W E -B 155 0B 0 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.3 -0.776 39.7 -92.3-152.8-162.1 -1.3 1.5 15.5 163 184 A V E -BD 154 173B 0 10,-2.4 10,-2.5 -9,-0.2 2,-0.3 -0.924 15.3-154.0-129.0 155.4 -1.9 -2.2 16.4 164 185 A V E +BD 153 172B 10 -11,-2.5 -11,-2.6 -2,-0.3 2,-0.3 -0.889 33.8 138.8-114.5 152.6 -2.7 -4.2 19.5 165 186 A F E + D 0 171B 4 6,-1.8 6,-2.2 -2,-0.3 -13,-0.1 -0.968 22.0 61.2-167.7 179.3 -1.6 -7.9 19.7 166 187 A G S > S+ 0 0 1 -2,-0.3 3,-2.5 3,-0.2 -73,-0.1 -0.260 89.2 8.2 91.5-166.5 -0.2 -10.6 21.9 167 188 A P G > S- 0 0 66 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.284 139.7 -11.0 -54.5 123.9 -1.3 -12.3 25.1 168 189 A N G 3 S- 0 0 150 1,-0.3 -2,-0.1 2,-0.1 -77,-0.0 0.621 115.1 -81.0 59.9 15.9 -4.8 -11.0 26.0 169 190 A G G < S+ 0 0 32 -3,-2.5 -1,-0.3 1,-0.1 -3,-0.2 0.756 99.0 132.2 63.9 22.6 -4.4 -8.4 23.2 170 191 A E < + 0 0 116 -3,-2.2 2,-0.2 -6,-0.1 -4,-0.2 0.633 37.3 89.7 -89.7 -10.5 -2.4 -6.3 25.7 171 192 A Q E -D 165 0B 68 -6,-2.2 -6,-1.8 -4,-0.2 2,-0.3 -0.579 57.9-156.6 -85.1 149.4 0.6 -5.4 23.7 172 193 A T E -D 164 0B 6 -8,-0.2 2,-0.3 -2,-0.2 -8,-0.2 -0.938 10.3-178.3-120.3 146.1 0.8 -2.3 21.5 173 194 A A E -D 163 0B 1 -10,-2.5 -10,-2.4 -2,-0.3 2,-0.3 -0.967 26.1-130.3-145.5 131.3 3.0 -1.6 18.6 174 195 A E + 0 0 4 14,-2.5 13,-3.1 11,-0.4 -12,-0.1 -0.575 30.3 168.3 -66.2 139.0 3.5 1.4 16.3 175 196 A V + 0 0 1 -14,-0.4 2,-0.2 -2,-0.3 -70,-0.1 0.393 58.3 32.9-133.4 -6.7 3.3 0.3 12.7 176 197 A T S S- 0 0 2 -15,-0.3 9,-0.4 9,-0.0 2,-0.2 -0.804 83.1 -92.8-140.2 178.7 3.1 3.6 10.8 177 198 A W - 0 0 49 -2,-0.2 2,-0.4 7,-0.1 -16,-0.2 -0.521 28.6-141.5 -88.4 166.6 4.3 7.2 10.9 178 199 A H - 0 0 22 -2,-0.2 4,-0.3 -18,-0.1 -18,-0.1 -0.993 54.3 -33.0-133.0 130.1 2.5 10.1 12.5 179 200 A G S S- 0 0 38 -2,-0.4 2,-0.5 2,-0.1 3,-0.1 -0.133 89.0 -56.3 66.1-155.3 2.4 13.6 11.1 180 201 A K S S+ 0 0 180 1,-0.1 3,-0.1 -3,-0.1 -1,-0.0 -0.975 113.6 11.5-127.9 127.7 5.2 15.3 9.2 181 202 A G S S+ 0 0 73 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.676 88.2 124.4 81.6 18.0 8.7 15.6 10.6 182 203 A N - 0 0 35 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.3 -0.759 68.2-101.9 -99.8 151.2 8.4 13.4 13.6 183 204 A E - 0 0 177 -2,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 -0.664 39.1-103.0 -77.2 136.8 10.8 10.4 13.9 184 205 A D + 0 0 72 -2,-0.3 -7,-0.1 1,-0.1 -1,-0.1 -0.236 37.6 177.1 -51.6 135.3 9.7 6.9 13.0 185 206 A R > + 0 0 59 -9,-0.4 3,-2.1 3,-0.1 -11,-0.4 0.052 19.2 157.2-127.7 29.1 8.8 4.8 16.2 186 207 A R T 3 + 0 0 29 1,-0.3 -11,-0.2 -13,-0.1 3,-0.1 -0.223 64.6 26.4 -58.8 137.4 7.6 1.7 14.4 187 208 A G T 3 S+ 0 0 16 -13,-3.1 -1,-0.3 1,-0.3 2,-0.1 0.107 98.7 108.5 95.2 -17.5 7.9 -1.4 16.6 188 209 A Q S < S- 0 0 108 -3,-2.1 -14,-2.5 1,-0.1 -1,-0.3 -0.416 70.5-107.4 -89.1 163.3 7.7 0.5 19.9 189 210 A T - 0 0 42 -16,-0.2 3,-0.2 -2,-0.1 4,-0.1 -0.326 18.5-125.9 -72.7 173.4 4.8 0.6 22.4 190 211 A V S > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.201 78.7 110.1-100.5 12.7 2.5 3.6 22.9 191 212 A N H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 72.1 53.1 -63.1 -39.8 3.2 3.7 26.7 192 213 A A H > S+ 0 0 67 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 111.6 47.3 -60.7 -42.0 5.3 6.9 26.8 193 214 A G H 4>S+ 0 0 0 2,-0.2 5,-1.3 1,-0.2 4,-0.4 0.890 112.3 47.8 -67.1 -40.3 2.5 8.7 25.0 194 215 A V H ><5S+ 0 0 38 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.956 111.9 51.4 -61.3 -48.9 -0.2 7.3 27.2 195 216 A A H 3<5S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.818 104.8 56.0 -63.3 -32.3 1.9 8.2 30.3 196 217 A E T 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.548 106.0-128.1 -80.1 -4.2 2.4 11.8 29.1 197 218 A R T < 5 + 0 0 107 -3,-1.5 134,-2.6 -4,-0.4 -3,-0.2 0.820 47.3 165.5 62.7 35.6 -1.3 12.3 28.9 198 219 A S >>X - 0 0 2 -5,-1.3 5,-0.9 132,-0.2 3,-0.6 -0.410 48.1-123.5 -72.2 154.6 -1.2 13.6 25.3 199 220 A W G >45S+ 0 0 0 132,-0.5 3,-1.2 1,-0.2 -41,-0.4 0.884 106.8 71.2 -60.8 -37.5 -4.3 13.9 23.2 200 221 A L G 345S+ 0 0 2 1,-0.3 -41,-0.4 -43,-0.1 -1,-0.2 0.809 109.1 30.2 -53.7 -37.4 -2.6 11.7 20.6 201 222 A Y G X45S- 0 0 3 -3,-0.6 3,-2.4 -8,-0.3 5,-0.3 0.347 100.0-132.3-109.1 8.5 -2.9 8.6 22.8 202 223 A L G X<5 - 0 0 1 -3,-1.2 3,-2.4 -4,-0.5 -3,-0.2 0.705 57.3 -73.3 56.4 29.4 -6.1 9.6 24.6 203 224 A K G 3 - 0 0 75 -2,-0.1 4,-1.9 -57,-0.1 3,-0.2 -0.452 48.2 -87.6 -89.8 179.6 -12.4 -6.1 16.7 211 232 A R H > S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.861 129.3 52.9 -60.6 -36.7 -12.7 -7.3 13.1 212 233 A K H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 107.3 50.6 -70.6 -36.1 -16.1 -5.7 12.6 213 234 A M H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.823 105.4 58.0 -67.5 -31.6 -14.8 -2.3 13.8 214 235 A E H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.881 105.3 49.9 -65.2 -35.5 -12.0 -2.6 11.3 215 236 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.924 109.0 52.0 -62.9 -44.9 -14.6 -3.0 8.6 216 237 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.899 106.6 54.8 -59.1 -39.4 -16.2 0.2 10.1 217 238 A F H X S+ 0 0 25 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.930 107.7 47.3 -59.2 -49.8 -12.8 1.9 9.8 218 239 A M H < S+ 0 0 10 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.841 111.8 51.8 -66.9 -30.8 -12.5 1.1 6.1 219 240 A V H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.924 110.2 47.2 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