==== 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 21-AUG-12 4GPQ . 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. . 467 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 21 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 0 2 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 71 0, 0.0 2,-0.1 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 11.1 -7.3 -17.3 -1.7 2 3 A L - 0 0 18 1,-0.1 2,-0.2 64,-0.1 5,-0.0 -0.405 360.0-120.8 -78.9 147.7 -11.0 -16.7 -1.5 3 4 A K >> - 0 0 131 -2,-0.1 3,-1.3 1,-0.1 4,-0.5 -0.569 27.6-109.2 -85.8 154.3 -13.5 -19.4 -0.4 4 5 A A H >> S+ 0 0 81 1,-0.3 3,-1.6 -2,-0.2 4,-0.6 0.871 117.6 56.0 -46.3 -45.4 -16.3 -20.5 -2.8 5 6 A A H 34 S+ 0 0 61 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.760 102.1 57.0 -64.9 -26.7 -18.9 -18.8 -0.5 6 7 A Q H <4 S+ 0 0 11 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.604 105.5 51.3 -77.2 -13.3 -17.2 -15.5 -0.8 7 8 A K H X< S+ 0 0 81 -3,-1.6 3,-1.4 -4,-0.5 -1,-0.2 0.595 81.6 88.4-100.6 -14.4 -17.3 -15.5 -4.6 8 9 A T T 3< S+ 0 0 111 -4,-0.6 -1,-0.1 -3,-0.3 -2,-0.1 0.722 82.8 57.2 -65.9 -24.6 -21.0 -16.2 -5.3 9 10 A L T 3 S+ 0 0 61 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.646 88.6 144.0 -80.8 -13.5 -22.2 -12.5 -5.2 10 11 A F < + 0 0 23 -3,-1.4 51,-0.1 2,-0.1 2,-0.1 -0.461 38.0 54.4 -74.4 147.2 -19.8 -11.5 -8.0 11 12 A P S S- 0 0 42 0, 0.0 2,-0.7 0, 0.0 50,-0.2 0.455 75.7-150.2 -79.2 149.1 -20.0 -9.6 -10.3 12 13 A L B +A 60 0A 0 48,-2.3 48,-2.5 1,-0.1 -2,-0.1 -0.787 23.3 170.4 -87.3 115.7 -20.9 -6.6 -8.2 13 14 A R + 0 0 146 -2,-0.7 2,-0.3 46,-0.2 -1,-0.1 0.387 55.5 16.9-109.4 0.5 -23.1 -4.4 -10.5 14 15 A S S > S- 0 0 18 1,-0.1 4,-1.9 44,-0.1 5,-0.1 -0.977 81.8 -93.4-161.8 166.8 -24.4 -1.7 -8.1 15 16 A I H > S+ 0 0 11 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 0.928 124.5 53.5 -52.2 -48.7 -24.1 -0.0 -4.7 16 17 A D H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.839 104.2 55.1 -62.9 -33.6 -26.7 -2.5 -3.4 17 18 A D H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 108.2 49.0 -63.1 -41.9 -24.5 -5.5 -4.6 18 19 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.928 109.8 51.3 -61.6 -44.7 -21.6 -4.1 -2.7 19 20 A V H X S+ 0 0 26 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.921 107.8 53.5 -58.1 -42.3 -23.8 -3.7 0.4 20 21 A R H X S+ 0 0 119 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.881 107.6 50.7 -59.6 -39.0 -24.9 -7.4 -0.0 21 22 A L H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.936 110.8 48.0 -65.7 -44.3 -21.2 -8.5 -0.1 22 23 A F H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.918 111.3 50.9 -60.5 -42.3 -20.5 -6.5 3.1 23 24 A A H X S+ 0 0 44 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.909 111.5 48.1 -61.3 -41.9 -23.6 -8.1 4.8 24 25 A A H >< S+ 0 0 48 -4,-2.3 3,-0.8 1,-0.2 4,-0.4 0.942 113.5 46.3 -65.6 -47.0 -22.4 -11.6 3.8 25 26 A E H >< S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.897 108.3 55.5 -63.6 -38.9 -18.9 -11.0 5.0 26 27 A L H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.683 104.4 56.1 -67.7 -16.8 -20.1 -9.5 8.3 27 28 A G T << S+ 0 0 69 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.495 93.3 90.1 -88.2 -6.8 -22.1 -12.7 8.8 28 29 A R S < S- 0 0 85 -3,-1.5 -3,-0.0 -4,-0.4 0, 0.0 -0.380 99.1 -97.8 -86.6 168.0 -19.0 -14.9 8.5 29 30 A E S S+ 0 0 151 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.926 113.7 1.3 -50.2 -49.7 -16.8 -16.0 11.4 30 31 A E S S- 0 0 42 181,-0.1 -1,-0.3 182,-0.0 2,-0.2 -0.993 81.6-121.2-134.1 137.2 -14.5 -13.1 10.3 31 32 A P - 0 0 0 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.517 34.7-112.9 -68.5 144.4 -15.1 -10.7 7.6 32 33 A D > - 0 0 16 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 -0.669 29.5-170.0 -85.1 102.8 -12.3 -10.7 5.0 33 34 A L H > S+ 0 0 0 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.838 83.5 52.8 -63.9 -34.2 -10.6 -7.3 5.4 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 -68.4 -47.8 -8.5 -7.8 2.2 35 36 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 115.9 46.4 -57.4 -49.4 -11.4 -8.6 0.0 36 37 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.899 112.7 48.2 -67.1 -40.0 -13.5 -5.8 1.4 37 38 A S H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 86,-0.5 0.902 111.4 50.8 -69.4 -39.0 -10.8 -3.1 1.2 38 39 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.918 111.1 49.0 -61.5 -42.9 -9.9 -4.1 -2.4 39 40 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.944 114.0 45.1 -61.9 -49.2 -13.6 -3.9 -3.4 40 41 A L H X S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.916 114.8 48.2 -62.2 -43.5 -14.1 -0.4 -1.8 41 42 A G H X S+ 0 0 4 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.891 111.2 51.0 -63.8 -39.9 -10.8 0.8 -3.3 42 43 A F H X S+ 0 0 16 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.955 114.6 41.5 -60.3 -52.5 -11.7 -0.5 -6.8 43 44 A V H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 5,-0.2 0.922 114.8 51.4 -69.1 -36.8 -15.1 1.2 -6.8 44 45 A E H X>S+ 0 0 7 -4,-2.8 4,-2.4 -5,-0.2 5,-1.2 0.894 107.3 55.1 -63.6 -36.8 -13.8 4.4 -5.2 45 46 A H H X>S+ 0 0 48 -4,-2.3 5,-2.8 1,-0.2 4,-0.8 0.948 113.9 38.9 -59.8 -46.3 -11.1 4.5 -7.9 46 47 A F H <5S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.538 121.8 43.2 -86.9 -5.1 -13.7 4.3 -10.7 47 48 A L H <5S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.608 133.1 12.0-107.7 -21.4 -16.2 6.6 -9.0 48 49 A A H <5S+ 0 0 5 -4,-2.4 3,-0.2 -5,-0.2 -3,-0.2 0.675 128.6 41.5-125.6 -36.4 -13.8 9.4 -7.7 49 50 A V T < + 0 0 89 -2,-0.3 3,-2.2 -3,-0.2 2,-0.2 0.264 31.2 139.9 -92.4 10.5 -14.8 8.4 -14.0 52 53 A V T 3 S+ 0 0 127 1,-0.3 -2,-0.1 0, 0.0 0, 0.0 -0.387 77.4 6.8 -59.4 123.2 -13.9 8.1 -17.6 53 74 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.342 88.9 152.0 89.4 -5.8 -16.5 5.8 -19.3 54 75 A L < + 0 0 47 -3,-2.2 -1,-0.3 1,-0.2 -3,-0.1 -0.369 12.5 163.7 -62.6 128.9 -18.7 5.6 -16.2 55 76 A T S S- 0 0 142 -2,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.604 75.8 -33.8-118.8 -21.2 -22.4 4.9 -17.1 56 77 A Y S S- 0 0 154 1,-0.0 -2,-0.1 -42,-0.0 178,-0.0 0.145 117.1 -6.9-159.9 -62.6 -23.8 3.7 -13.8 57 78 A F - 0 0 15 -44,-0.1 2,-1.0 -43,-0.1 -2,-0.1 -0.987 67.1-108.6-151.3 139.4 -21.5 1.7 -11.6 58 79 A P - 0 0 15 0, 0.0 -44,-0.1 0, 0.0 2,-0.1 -0.561 41.6-132.0 -74.2 105.2 -18.1 0.2 -12.1 59 80 A V - 0 0 50 -2,-1.0 2,-0.9 -46,-0.1 -46,-0.2 -0.347 12.3-146.6 -60.5 126.5 -18.8 -3.4 -12.3 60 81 A A B -A 12 0A 0 -48,-2.5 -48,-2.3 -2,-0.1 2,-0.2 -0.853 16.2-160.1 -98.9 101.2 -16.5 -5.4 -10.1 61 82 A D > - 0 0 71 -2,-0.9 4,-2.3 -50,-0.2 5,-0.2 -0.575 23.1-126.1 -79.3 144.4 -15.8 -8.8 -11.8 62 83 A L H > S+ 0 0 53 -2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.894 109.4 57.8 -54.8 -42.1 -14.6 -11.7 -9.8 63 84 A S H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 110.2 43.7 -57.3 -44.2 -11.6 -12.2 -12.1 64 85 A I H > S+ 0 0 79 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 118.0 42.8 -65.6 -50.6 -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 0.920 114.1 51.4 -66.2 -42.5 -10.9 -8.6 -7.7 66 87 A A H X S+ 0 0 32 -4,-3.4 4,-2.4 -5,-0.2 -1,-0.2 0.865 108.9 51.8 -61.1 -36.6 -9.5 -12.1 -7.3 67 88 A A H X S+ 0 0 57 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.901 111.1 46.4 -70.6 -39.0 -6.4 -11.1 -9.2 68 89 A L H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.917 112.7 51.0 -63.1 -42.9 -5.8 -8.0 -7.0 69 90 A Y H X S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.908 109.4 50.6 -60.0 -43.1 -6.4 -10.3 -3.9 70 91 A A H X S+ 0 0 48 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.861 106.8 54.7 -64.6 -37.8 -3.8 -12.8 -5.3 71 92 A R H X S+ 0 0 155 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.935 112.5 44.0 -58.9 -46.1 -1.3 -9.9 -5.7 72 93 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.950 115.4 44.4 -65.5 -51.4 -1.7 -8.9 -2.1 73 94 A T H X S+ 0 0 11 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.889 113.0 53.6 -65.5 -35.2 -1.6 -12.4 -0.6 74 95 A A H X S+ 0 0 66 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.902 110.3 46.9 -63.2 -41.8 1.4 -13.3 -2.8 75 96 A Q H X S+ 0 0 67 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.971 118.3 40.4 -63.8 -50.3 3.3 -10.3 -1.6 76 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 118.3 44.0 -65.6 -50.8 2.6 -10.9 2.1 77 98 A R H < S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.846 114.6 51.3 -67.0 -32.0 3.0 -14.7 2.1 78 99 A G H < S+ 0 0 71 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.828 117.4 38.4 -71.0 -32.0 6.2 -14.5 0.0 79 100 A A H < S+ 0 0 41 -4,-1.7 2,-0.7 -5,-0.2 -2,-0.2 0.733 109.4 60.4 -94.7 -25.6 7.8 -11.9 2.3 80 101 A V < - 0 0 5 -4,-2.3 2,-1.0 -5,-0.2 -1,-0.2 -0.890 63.6-166.6-111.0 104.9 6.7 -13.1 5.7 81 102 A D > - 0 0 80 -2,-0.7 3,-1.9 1,-0.2 4,-0.2 -0.785 3.9-163.9 -91.3 102.5 7.9 -16.6 6.5 82 103 A L G > S+ 0 0 36 -2,-1.0 3,-1.9 1,-0.3 -1,-0.2 0.747 81.9 71.8 -60.5 -24.8 5.9 -17.5 9.6 83 104 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.714 91.4 59.2 -65.4 -19.6 8.2 -20.4 10.5 84 105 A L G < S+ 0 0 119 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.589 109.2 45.8 -79.8 -10.8 10.8 -17.8 11.5 85 106 A Y S < S- 0 0 43 -3,-1.9 -1,-0.2 -4,-0.2 8,-0.2 -0.640 81.8-157.0-134.3 69.5 8.3 -16.4 14.1 86 107 A P - 0 0 79 0, 0.0 2,-1.2 0, 0.0 10,-0.1 -0.267 22.6-122.0 -55.9 130.9 6.7 -19.3 16.1 87 108 A R > - 0 0 95 5,-0.1 3,-1.5 3,-0.1 2,-0.4 -0.661 25.3-148.2 -79.7 97.1 3.4 -18.2 17.6 88 109 A E G > S- 0 0 149 -2,-1.2 3,-1.2 3,-0.3 -1,-0.0 -0.544 80.6 -7.6 -66.9 117.7 3.9 -18.9 21.3 89 110 A G G 3 S- 0 0 81 -2,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.737 125.5 -66.3 64.7 25.2 0.5 -19.8 22.8 90 111 A G G < S+ 0 0 65 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.644 110.6 113.2 72.0 15.0 -1.3 -19.0 19.5 91 112 A V < - 0 0 34 -3,-1.2 -3,-0.3 59,-0.1 -1,-0.3 -0.857 68.4-105.8-118.8 157.0 -0.5 -15.3 19.8 92 113 A S - 0 0 4 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.1 -0.440 27.9-128.2 -84.6 153.4 1.7 -13.1 17.7 93 114 A S > - 0 0 30 -8,-0.2 4,-2.3 -2,-0.1 5,-0.2 -0.610 20.1-117.9 -97.2 157.6 5.1 -11.8 18.6 94 115 A R H > S+ 0 0 63 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.886 116.6 54.9 -59.0 -37.4 6.4 -8.2 18.5 95 116 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 107.6 48.9 -64.9 -37.9 9.0 -9.3 15.9 96 117 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 111.4 48.7 -67.1 -44.4 6.3 -10.7 13.7 97 118 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.931 112.6 48.9 -61.1 -44.1 4.2 -7.6 13.9 98 119 A K H X S+ 0 0 66 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.898 108.9 53.6 -62.6 -38.9 7.3 -5.5 13.1 99 120 A K H X S+ 0 0 67 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 109.3 47.1 -61.4 -45.3 8.1 -7.7 10.1 100 121 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.936 112.2 50.8 -62.7 -43.8 4.6 -7.3 8.7 101 122 A S H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.925 110.8 49.1 -57.0 -46.1 4.9 -3.5 9.2 102 123 A D H X S+ 0 0 39 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.896 107.8 54.5 -62.0 -41.6 8.3 -3.5 7.4 103 124 A V H X S+ 0 0 10 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.942 114.8 39.2 -59.7 -47.5 6.9 -5.5 4.5 104 125 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 2,-0.2 4,-0.5 0.962 118.4 47.4 -64.5 -49.8 4.1 -3.0 3.9 105 126 A W H >< S+ 0 0 90 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.906 109.7 52.0 -64.7 -42.3 6.2 0.1 4.6 106 127 A N H 3< S+ 0 0 115 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.673 102.7 62.4 -67.7 -17.6 9.1 -1.0 2.3 107 128 A S T << S+ 0 0 32 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.616 82.9 106.9 -79.1 -16.1 6.7 -1.6 -0.6 108 129 A L S < S- 0 0 25 -3,-1.4 22,-0.2 -4,-0.5 21,-0.1 -0.385 83.5 -94.4 -76.0 143.2 5.7 2.1 -0.7 109 130 A S - 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0 0 0 -2,-0.4 -11,-0.2 -22,-0.1 2,-0.1 -0.995 28.6-130.6-140.3 146.7 -0.8 4.5 1.3 132 153 A D > - 0 0 35 -13,-2.1 4,-1.7 -2,-0.3 -17,-0.1 -0.294 46.4 -87.9 -80.6 177.0 -1.6 7.2 3.8 133 154 A S H >> S+ 0 0 26 -19,-0.3 4,-1.4 1,-0.2 3,-0.6 0.938 127.9 37.1 -58.4 -54.8 -0.6 6.8 7.5 134 155 A S H 3> S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.804 109.9 65.5 -72.1 -23.3 -3.6 5.0 8.8 135 156 A G H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.855 99.6 52.1 -61.0 -36.9 -3.8 3.1 5.5 136 157 A V H S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.4 0.915 109.7 49.3 -60.8 -42.8 -2.0 -10.2 9.6 145 166 A Q H ><5S+ 0 0 28 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.931 108.2 54.1 -61.9 -42.2 -5.5 -11.6 9.0 146 167 A A H 3<5S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 108.9 50.1 -59.5 -28.7 -4.2 -13.0 5.6 147 168 A L T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.444 122.3-107.0 -88.0 -4.3 -1.4 -14.8 7.6 148 169 A G T < 5 + 0 0 52 -3,-1.7 2,-1.4 -4,-0.4 -3,-0.2 0.666 68.5 148.3 85.1 19.9 -3.9 -16.2 10.1 149 170 A L > < + 0 0 5 -5,-2.8 3,-1.6 1,-0.2 -1,-0.2 -0.636 17.6 175.4 -91.5 83.8 -2.9 -13.9 13.0 150 171 A R T 3 S+ 0 0 130 -2,-1.4 -1,-0.2 1,-0.3 -5,-0.1 0.681 70.3 59.8 -67.9 -17.4 -6.3 -13.7 14.7 151 172 A D T 3 S+ 0 0 24 -61,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.548 78.9 98.1 -90.5 -9.5 -4.9 -11.6 17.6 152 173 A V < + 0 0 0 -3,-1.6 2,-0.3 13,-0.1 13,-0.2 -0.722 52.4 169.7 -89.6 123.8 -3.7 -8.6 15.6 153 174 A H E -B 164 0B 36 11,-2.8 11,-2.5 -2,-0.6 2,-0.3 -0.914 36.6-100.8-135.3 154.6 -6.2 -5.7 15.6 154 175 A L E -B 163 0B 0 -2,-0.3 55,-2.8 9,-0.2 2,-0.4 -0.561 29.9-163.4 -74.3 134.3 -6.4 -2.1 14.7 155 176 A A E -BC 162 208B 0 7,-2.8 7,-2.3 -2,-0.3 2,-0.4 -0.949 11.4-170.3-116.0 139.0 -6.1 0.5 17.5 156 177 A L E -BC 161 207B 7 51,-2.0 51,-2.7 -2,-0.4 5,-0.2 -0.994 15.3-179.5-135.3 130.1 -7.3 4.1 16.8 157 178 A S - 0 0 6 3,-2.7 44,-0.1 -2,-0.4 43,-0.1 -0.319 54.5 -87.9 -99.6-162.2 -7.1 7.4 18.5 158 179 A E S S+ 0 0 12 41,-0.4 42,-0.1 1,-0.2 43,-0.1 0.623 125.1 19.5 -81.9 -10.1 -8.6 10.6 17.1 159 180 A D S S+ 0 0 52 41,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.292 122.8 36.2-138.9 9.5 -5.4 11.3 15.2 160 181 A H - 0 0 14 40,-0.2 -3,-2.7 18,-0.1 2,-0.3 -0.984 54.6-145.4-161.8 163.2 -3.4 8.1 14.8 161 182 A A E +B 156 0B 0 -2,-0.3 14,-0.4 16,-0.2 15,-0.3 -0.985 25.4 145.4-138.3 147.0 -3.6 4.3 14.3 162 183 A W E -B 155 0B 0 -7,-2.3 -7,-2.8 -2,-0.3 2,-0.3 -0.776 39.7 -91.0-155.0-162.4 -1.5 1.4 15.5 163 184 A V E -BD 154 173B 0 10,-2.3 10,-2.5 -9,-0.2 2,-0.3 -0.926 15.1-154.4-127.4 154.4 -2.1 -2.2 16.4 164 185 A V E +BD 153 172B 6 -11,-2.5 -11,-2.8 -2,-0.3 2,-0.3 -0.908 34.1 137.0-115.4 153.4 -2.8 -4.3 19.5 165 186 A F E + D 0 171B 4 6,-2.1 6,-2.3 -2,-0.3 -13,-0.1 -0.952 21.5 59.2-166.9-179.8 -1.8 -8.0 19.7 166 187 A G S > S+ 0 0 1 -2,-0.3 3,-2.8 3,-0.2 -73,-0.1 -0.219 89.2 13.7 87.0-164.1 -0.4 -10.8 21.8 167 188 A P G > S- 0 0 60 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.265 141.1 -13.4 -53.2 122.8 -1.4 -12.3 25.1 168 189 A N G 3 S- 0 0 152 1,-0.3 -2,-0.1 2,-0.1 -77,-0.0 0.642 113.9 -81.4 59.0 14.5 -4.9 -11.1 25.9 169 190 A G G < S+ 0 0 19 -3,-2.8 -1,-0.3 1,-0.1 -3,-0.2 0.769 99.1 132.8 61.3 27.9 -4.5 -8.5 23.1 170 191 A E < + 0 0 105 -3,-2.1 2,-0.3 -6,-0.1 -4,-0.2 0.566 38.6 89.6 -90.6 -12.7 -2.6 -6.5 25.7 171 192 A Q E -D 165 0B 67 -6,-2.3 -6,-2.1 -4,-0.2 2,-0.4 -0.637 59.0-156.6 -86.2 145.4 0.5 -5.5 23.7 172 193 A T E -D 164 0B 5 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.923 10.2-177.0-117.2 147.0 0.6 -2.4 21.5 173 194 A A E -D 163 0B 1 -10,-2.5 -10,-2.3 -2,-0.4 2,-0.3 -0.961 25.1-131.4-143.0 129.7 2.9 -1.7 18.5 174 195 A E + 0 0 4 14,-2.7 13,-3.1 11,-0.4 -12,-0.1 -0.564 29.9 168.1 -65.1 136.0 3.4 1.2 16.3 175 196 A V + 0 0 0 -14,-0.4 2,-0.2 -2,-0.3 -70,-0.1 0.419 58.4 31.7-130.7 -5.5 3.2 0.1 12.7 176 197 A T S S- 0 0 1 -15,-0.3 9,-0.4 -40,-0.0 2,-0.2 -0.805 84.2 -90.1-139.9-179.9 3.0 3.4 10.8 177 198 A W - 0 0 38 -2,-0.2 2,-0.4 7,-0.1 -16,-0.2 -0.483 28.0-142.0 -89.4 165.7 4.2 7.0 11.0 178 199 A H - 0 0 33 -2,-0.2 3,-0.5 3,-0.1 -18,-0.1 -0.991 57.1 -31.8-130.0 127.7 2.4 10.0 12.6 179 200 A G S S- 0 0 40 -2,-0.4 -2,-0.0 1,-0.2 -46,-0.0 -0.196 96.6 -47.9 66.3-153.5 2.5 13.4 11.2 180 201 A K S S+ 0 0 219 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.470 89.9 110.5-106.0 -2.5 5.3 15.0 9.2 181 202 A G - 0 0 62 -3,-0.5 -3,-0.1 2,-0.1 0, 0.0 -0.280 69.3-121.4 -70.0 159.8 8.6 14.4 11.1 182 203 A N S S+ 0 0 175 -5,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.887 85.4 75.1 -70.0 -41.5 11.2 12.0 9.6 183 204 A E - 0 0 173 2,-0.0 2,-0.2 -6,-0.0 -2,-0.1 -0.545 60.0-164.7 -84.7 135.3 11.5 9.4 12.5 184 205 A D - 0 0 40 -2,-0.3 -7,-0.1 -7,-0.1 -2,-0.0 -0.653 21.4-141.6-106.0 168.7 8.9 6.8 13.2 185 206 A R > + 0 0 75 -9,-0.4 3,-2.5 -2,-0.2 -11,-0.4 -0.071 40.3 164.7-113.3 30.7 8.5 4.7 16.4 186 207 A R T 3 + 0 0 31 1,-0.3 -11,-0.2 -13,-0.1 3,-0.1 -0.209 65.4 22.1 -56.7 133.6 7.5 1.6 14.5 187 208 A G T 3 S+ 0 0 17 -13,-3.1 -1,-0.3 1,-0.4 2,-0.1 0.144 101.2 109.9 95.8 -18.5 7.7 -1.5 16.6 188 209 A Q < - 0 0 102 -3,-2.5 -14,-2.7 1,-0.1 -1,-0.4 -0.424 69.9-108.4 -87.2 162.2 7.5 0.4 19.9 189 210 A T - 0 0 46 -16,-0.2 3,-0.2 -2,-0.1 4,-0.2 -0.313 18.7-126.3 -75.6 171.8 4.6 0.4 22.4 190 211 A V S > S+ 0 0 3 1,-0.1 4,-2.2 2,-0.1 5,-0.2 0.238 79.3 109.4 -97.8 12.5 2.4 3.5 22.9 191 212 A N H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.835 72.0 53.0 -63.2 -37.6 3.0 3.5 26.7 192 213 A A H > S+ 0 0 77 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 111.7 47.6 -62.7 -41.6 5.2 6.7 26.8 193 214 A G H >>S+ 0 0 8 2,-0.2 5,-1.4 1,-0.2 4,-0.6 0.885 112.8 47.7 -67.1 -39.8 2.4 8.6 24.9 194 215 A V H ><5S+ 0 0 37 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.957 112.5 49.5 -62.9 -47.7 -0.3 7.2 27.2 195 216 A A H 3<5S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.813 104.9 59.3 -60.8 -34.1 1.8 8.1 30.3 196 217 A E H 3<5S- 0 0 78 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.635 104.6-130.9 -63.4 -23.0 2.4 11.7 28.9 197 218 A R T <<5 + 0 0 108 -3,-1.4 134,-2.6 -4,-0.6 -3,-0.2 0.794 48.0 163.9 65.3 32.2 -1.4 12.3 28.9 198 219 A S > X - 0 0 2 -5,-1.4 5,-0.9 132,-0.2 3,-0.5 -0.408 49.6-125.1 -69.8 154.1 -1.2 13.5 25.3 199 220 A W G > 5S+ 0 0 0 132,-0.5 3,-1.3 1,-0.2 -41,-0.4 0.882 105.8 72.2 -62.8 -34.9 -4.4 13.8 23.2 200 221 A L G 3 5S+ 0 0 1 1,-0.3 -41,-0.4 -43,-0.1 -1,-0.2 0.834 109.3 30.0 -52.2 -37.7 -2.7 11.7 20.6 201 222 A Y G X 5S- 0 0 4 -3,-0.5 3,-2.5 -8,-0.3 -1,-0.3 0.319 100.2-132.2-108.7 6.8 -3.0 8.6 22.8 202 223 A L G X 5 - 0 0 0 -3,-1.3 3,-2.6 -4,-0.5 -3,-0.2 0.715 58.6 -73.2 55.5 29.1 -6.2 9.6 24.6 203 224 A K G 3 - 0 0 74 -2,-0.1 4,-1.9 -57,-0.1 5,-0.2 -0.518 49.6 -88.8 -93.4-178.5 -12.5 -6.3 16.6 211 232 A R H > S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.852 129.5 53.9 -62.6 -31.5 -12.8 -7.5 13.0 212 233 A K H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 108.3 49.3 -71.6 -37.1 -16.3 -6.0 12.6 213 234 A M H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.808 105.4 58.0 -69.7 -30.7 -15.0 -2.6 13.8 214 235 A E H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.866 105.3 50.6 -64.6 -36.1 -12.1 -2.9 11.3 215 236 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.937 108.7 51.5 -60.9 -46.6 -14.8 -3.2 8.6 216 237 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.906 107.0 55.1 -57.2 -40.1 -16.4 -0.0 10.1 217 238 A F H X S+ 0 0 24 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.923 107.6 47.0 -60.0 -47.5 -13.0 1.7 9.8 218 239 A M H < S+ 0 0 10 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.836 112.3 51.4 -67.1 -29.8 -12.6 1.0 6.1 219 240 A V H >< S+ 0 0 0 -4,-1.9 3,-1.3 2,-0.2 -2,-0.2 0.925 110.1 47.6 -70.4 -45.0 -16.2 2.2 5.5 220 241 A C H 3< S+ 0 0 25 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.820 106.7 61.5 -61.6 -28.4 -15.5 5.4 7.4 221 242 A A T 3< S+ 0 0 30 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.599 74.4 116.3 -76.4 -13.2 -12.3 5.7 5.3 222 243 A I < - 0 0 10 -3,-1.3 -181,-0.0 -4,-0.4 -3,-0.0 -0.348 55.2-154.2 -53.1 135.9 -14.2 5.8 2.0 223 244 A N - 0 0 50 1,-0.1 -1,-0.1 2,-0.1 13,-0.1 -0.918 16.1-176.8-120.9 100.9 -13.5 9.2 0.4 224 245 A P + 0 0 12 0, 0.0 8,-3.3 0, 0.0 11,-0.2 0.536 43.4 123.5 -73.2 -4.3 -16.3 10.4 -1.9 225 246 A S E +E 231 0C 33 6,-0.2 6,-0.3 1,-0.2 3,-0.1 -0.365 30.4 172.8 -67.8 125.9 -14.4 13.6 -2.9 226 247 A I E S- 0 0 54 4,-3.0 2,-0.2 1,-0.4 5,-0.2 0.838 72.1 -26.4 -92.2 -51.1 -13.9 13.9 -6.7 227 248 A D E > S-E 230 0C 74 3,-1.8 3,-0.7 0, 0.0 -1,-0.4 -0.827 84.4 -70.9-145.4-169.7 -12.5 17.4 -6.5 228 249 A L T 3 S+ 0 0 167 -2,-0.2 3,-0.0 1,-0.2 -3,-0.0 0.826 131.6 30.0 -56.1 -33.0 -12.6 20.5 -4.2 229 250 A H T 3 S+ 0 0 169 1,-0.1 2,-0.4 -4,-0.0 -1,-0.2 0.472 114.2 63.4-107.2 -6.8 -16.2 21.3 -5.2 230 251 A T E < -E 227 0C 64 -3,-0.7 -4,-3.0 2,-0.0 -3,-1.8 -0.984 50.7-169.2-137.4 130.6 -17.7 17.9 -6.0 231 252 A D E -E 225 0C 80 -2,-0.4 2,-0.6 -6,-0.3 -6,-0.2 -0.863 35.6-108.5-108.1 150.6 -18.4 14.6 -4.2 232 253 A S > - 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0 0 81 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.315 9.9-134.5 -66.9 141.8 -31.6 12.0 5.2 271 292 A T > - 0 0 48 4,-0.2 3,-2.0 1,-0.0 -5,-0.0 -0.852 32.9-110.5 -90.9 121.3 -32.7 8.4 5.0 272 293 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.178 99.8 17.6 -56.3 138.5 -36.5 8.1 5.7 273 294 A G T 3 S+ 0 0 91 1,-0.3 3,-0.1 -3,-0.0 -2,-0.0 0.118 100.4 115.7 92.3 -20.7 -37.3 6.5 9.0 274 295 A R S < S- 0 0 77 -3,-2.0 -1,-0.3 1,-0.1 0, 0.0 -0.409 75.6 -84.7 -86.5 158.3 -33.8 6.9 10.5 275 296 A P - 0 0 35 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.219 51.5-105.7 -53.0 145.4 -32.7 9.0 13.5 276 297 A D > - 0 0 112 1,-0.1 4,-2.1 -3,-0.1 3,-0.3 -0.280 32.1-102.8 -66.8 159.4 -32.0 12.7 12.8 277 298 A P H > S+ 0 0 10 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.905 122.1 55.6 -50.1 -45.3 -28.4 13.9 12.7 278 299 A L H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 106.6 50.0 -56.2 -44.1 -28.8 15.4 16.2 279 300 A T H > S+ 0 0 68 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.918 111.8 49.0 -59.8 -42.9 -29.8 12.1 17.6 280 301 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.904 108.6 51.9 -66.2 -41.9 -26.8 10.5 16.0 281 302 A Y H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.917 111.0 49.1 -58.8 -40.9 -24.3 13.1 17.3 282 303 A H H X S+ 0 0 97 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.845 106.9 54.6 -70.1 -31.4 -25.7 12.5 20.7 283 304 A K H X S+ 0 0 85 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.879 106.7 52.5 -64.3 -39.7 -25.3 8.7 20.3 284 305 A G H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.916 110.9 46.6 -60.1 -45.0 -21.6 9.4 19.4 285 306 A I H X S+ 0 0 11 -4,-2.0 4,-2.5 14,-0.2 -2,-0.2 0.922 111.3 51.5 -62.1 -44.5 -21.2 11.4 22.6 286 307 A A H X S+ 0 0 47 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.891 108.5 52.9 -60.4 -38.8 -23.0 8.6 24.6 287 308 A S H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 5,-0.5 0.932 109.6 47.5 -61.2 -46.5 -20.6 6.1 23.0 288 309 A A H X S+ 0 0 0 -4,-2.2 6,-2.4 1,-0.2 4,-1.7 0.896 113.8 47.7 -63.9 -40.0 -17.6 8.1 24.1 289 310 A K H < S+ 0 0 107 -4,-2.5 4,-0.4 4,-0.2 -1,-0.2 0.907 117.9 42.3 -64.1 -40.9 -19.0 8.5 27.7 290 311 A T H < S+ 0 0 98 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.917 130.8 18.4 -74.8 -43.9 -19.8 4.8 27.9 291 312 A Y H < S+ 0 0 72 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.644 129.3 39.2-107.5 -18.6 -16.7 3.2 26.4 292 313 A Y S >< S- 0 0 15 -4,-1.7 3,-1.8 -5,-0.5 -3,-0.1 0.005 102.4-108.4-130.6 25.7 -14.0 5.8 26.5 293 314 A R T 3 - 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