==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/TRANSPORT PROTEIN 11-NOV-11 3UM1 . COMPND 2 MOLECULE: BRO1 DOMAIN-CONTAINING PROTEIN BROX; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.JIANG,R.L.MU,T.XIAO . 784 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 520 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.3 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 2 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 3 1 0 4 2 2 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 9 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 81 0, 0.0 2,-0.4 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 142.6 -4.0 -5.1 12.9 2 3 A H - 0 0 39 127,-1.6 2,-0.4 129,-0.2 302,-0.0 -0.767 360.0-166.2 -96.4 141.8 -6.4 -7.6 11.1 3 4 A W - 0 0 22 -2,-0.4 2,-0.5 297,-0.1 297,-0.1 -0.979 7.1-179.4-129.5 116.8 -5.5 -9.3 7.9 4 5 A F - 0 0 10 -2,-0.4 2,-0.1 122,-0.1 297,-0.1 -0.967 26.5-128.7-121.6 118.4 -8.2 -11.1 5.9 5 6 A H - 0 0 1 -2,-0.5 2,-0.4 232,-0.1 294,-0.1 -0.427 29.1-160.6 -62.7 134.4 -7.4 -12.8 2.6 6 7 A R - 0 0 19 292,-0.5 3,-0.1 -2,-0.1 -1,-0.0 -0.978 12.7-148.8-127.7 124.8 -9.8 -11.7 -0.1 7 8 A N - 0 0 4 -2,-0.4 88,-0.1 290,-0.1 87,-0.1 -0.520 44.1 -87.5 -77.1 156.4 -10.7 -13.3 -3.4 8 9 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.103 45.3 -95.0 -66.3 163.3 -11.6 -10.9 -6.2 9 10 A L - 0 0 48 1,-0.1 2,-0.2 -3,-0.1 84,-0.1 -0.488 39.0-109.5 -73.1 146.5 -15.1 -9.5 -6.9 10 11 A K - 0 0 7 -2,-0.2 2,-0.3 102,-0.1 83,-0.1 -0.503 34.6-153.4 -70.3 145.7 -17.4 -11.2 -9.4 11 12 A A - 0 0 54 -2,-0.2 81,-2.4 87,-0.0 2,-0.3 -0.869 9.4-165.2-120.7 157.7 -17.9 -9.2 -12.6 12 13 A T B -A 91 0A 33 -2,-0.3 79,-0.2 79,-0.2 3,-0.0 -0.895 23.6-107.3-137.4 165.6 -20.8 -9.2 -15.1 13 14 A A - 0 0 35 77,-1.2 77,-0.3 -2,-0.3 0, 0.0 -0.770 49.4 -95.5 -91.7 141.4 -21.8 -8.1 -18.6 14 15 A P - 0 0 126 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.174 35.3-153.6 -53.3 144.0 -24.2 -5.1 -18.9 15 16 A V - 0 0 15 21,-0.2 25,-0.1 1,-0.1 24,-0.1 -0.978 15.8-177.1-127.4 119.4 -27.9 -5.9 -19.2 16 17 A S - 0 0 77 -2,-0.4 20,-0.2 2,-0.1 3,-0.1 0.655 26.8-143.9 -86.9 -17.0 -30.2 -3.4 -21.0 17 18 A F + 0 0 1 1,-0.2 2,-0.9 18,-0.1 19,-0.1 0.808 42.9 156.5 54.0 32.6 -33.5 -5.4 -20.5 18 19 A N + 0 0 87 1,-0.1 -1,-0.2 15,-0.0 -2,-0.1 -0.789 13.7 163.2 -94.6 107.3 -34.6 -4.3 -23.9 19 20 A Y > - 0 0 26 -2,-0.9 3,-1.8 1,-0.2 -1,-0.1 0.445 20.8-167.7-102.1 -2.5 -37.2 -6.7 -25.2 20 21 A Y T 3 S+ 0 0 171 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 -0.295 75.6 20.2 56.0-118.7 -38.7 -4.5 -28.0 21 22 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.798 120.5 64.1 -52.3 -34.3 -41.9 -6.0 -29.3 22 23 A V S < S+ 0 0 38 -3,-1.8 -1,-0.2 2,-0.0 2,-0.2 0.963 93.6 66.4 -55.6 -56.1 -42.3 -8.1 -26.1 23 24 A V - 0 0 21 -3,-0.5 2,-0.3 5,-0.1 349,-0.2 -0.448 67.2-174.2 -77.5 139.7 -42.7 -5.1 -23.8 24 25 A T > + 0 0 79 347,-1.1 4,-0.7 -2,-0.2 5,-0.3 -0.980 39.0 3.7-136.6 142.4 -45.8 -2.9 -24.2 25 26 A G H > S- 0 0 38 -2,-0.3 4,-1.7 3,-0.1 5,-0.2 0.168 89.0 -72.1 74.0 165.9 -47.0 0.4 -22.6 26 27 A P H > S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.896 123.6 58.6 -61.6 -45.7 -45.3 2.7 -20.2 27 28 A S H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.951 112.5 34.4 -52.6 -65.1 -45.6 0.4 -17.1 28 29 A A H X S+ 0 0 0 -4,-0.7 4,-1.6 1,-0.2 3,-0.2 0.927 121.5 47.6 -58.3 -48.6 -43.7 -2.6 -18.4 29 30 A S H X S+ 0 0 47 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.732 110.2 54.2 -68.8 -21.6 -41.2 -0.6 -20.5 30 31 A K H X S+ 0 0 126 -4,-2.0 4,-1.6 -3,-0.3 -1,-0.2 0.807 103.7 55.3 -79.0 -32.4 -40.7 1.6 -17.4 31 32 A I H X S+ 0 0 1 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.895 104.2 54.3 -63.3 -38.9 -39.9 -1.4 -15.3 32 33 A C H X S+ 0 0 8 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.768 107.3 50.7 -69.4 -25.8 -37.2 -2.4 -17.8 33 34 A N H X S+ 0 0 74 -4,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.821 110.0 49.9 -76.5 -33.7 -35.6 1.1 -17.5 34 35 A D H X S+ 0 0 54 -4,-1.6 4,-3.4 2,-0.2 5,-0.3 0.916 111.9 46.7 -71.3 -44.8 -35.6 0.8 -13.7 35 36 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.943 111.7 53.4 -58.4 -47.8 -34.0 -2.7 -13.8 36 37 A R H X S+ 0 0 109 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.935 117.5 35.5 -51.3 -50.5 -31.5 -1.3 -16.2 37 38 A S H X S+ 0 0 56 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.849 115.7 52.8 -79.8 -35.5 -30.6 1.6 -14.0 38 39 A S H X S+ 0 0 15 -4,-3.4 4,-2.7 2,-0.2 25,-0.2 0.923 113.2 44.7 -65.3 -43.6 -30.8 -0.2 -10.6 39 40 A R H X S+ 0 0 4 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.924 113.7 51.8 -63.4 -43.4 -28.5 -3.0 -11.8 40 41 A A H X S+ 0 0 50 -4,-1.7 4,-1.2 -5,-0.4 -2,-0.2 0.914 113.4 43.2 -59.4 -45.4 -26.2 -0.3 -13.3 41 42 A R H X S+ 0 0 120 -4,-2.7 4,-1.8 1,-0.2 3,-0.4 0.920 112.2 52.4 -67.1 -45.7 -26.1 1.6 -10.0 42 43 A L H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.819 108.5 52.5 -60.8 -31.7 -25.7 -1.5 -7.9 43 44 A L H < S+ 0 0 46 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.796 106.6 52.9 -74.9 -29.9 -22.7 -2.5 -10.1 44 45 A E H >< S+ 0 0 120 -4,-1.2 3,-1.2 -3,-0.4 4,-0.4 0.897 100.4 59.9 -71.4 -40.8 -21.0 0.8 -9.6 45 46 A L H >< S+ 0 0 3 -4,-1.8 3,-1.5 1,-0.3 6,-0.2 0.811 90.5 71.6 -59.4 -31.7 -21.1 0.8 -5.8 46 47 A F T 3< S+ 0 0 8 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.864 107.3 34.4 -53.0 -40.4 -19.1 -2.4 -5.7 47 48 A T T < S+ 0 0 112 -3,-1.2 2,-0.7 -4,-0.5 -1,-0.3 0.365 96.2 105.3 -97.2 3.5 -15.9 -0.6 -6.8 48 49 A D X - 0 0 55 -3,-1.5 3,-1.3 -4,-0.4 -4,-0.0 -0.782 52.2-162.6 -98.3 113.4 -16.6 2.7 -5.1 49 50 A L T 3 S+ 0 0 137 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.820 92.5 65.1 -56.7 -32.8 -14.6 3.5 -1.9 50 51 A S T 3 S+ 0 0 79 -3,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.859 81.3 106.1 -56.1 -36.1 -17.3 6.1 -1.1 51 52 A C < - 0 0 2 -3,-1.3 3,-0.0 -6,-0.2 0, 0.0 -0.150 47.1-177.4 -61.2 133.4 -19.9 3.4 -0.7 52 53 A N > - 0 0 57 1,-0.0 4,-2.7 0, 0.0 3,-0.4 -0.725 43.5 -96.2-118.9 174.4 -21.1 2.4 2.8 53 54 A P H > S+ 0 0 24 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.863 122.6 57.0 -59.5 -36.8 -23.6 -0.3 4.0 54 55 A E H > S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.906 112.2 41.5 -61.0 -39.9 -26.4 2.2 4.1 55 56 A M H > S+ 0 0 58 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.922 117.8 46.1 -73.1 -45.1 -25.9 3.0 0.4 56 57 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.946 108.8 54.8 -61.3 -52.8 -25.3 -0.6 -0.6 57 58 A K H X S+ 0 0 109 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.858 112.2 45.6 -49.2 -40.1 -28.3 -1.9 1.4 58 59 A N H X S+ 0 0 93 -4,-1.2 4,-1.9 -5,-0.3 -1,-0.2 0.910 112.8 47.7 -74.4 -41.9 -30.5 0.6 -0.5 59 60 A A H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -17,-0.2 0.949 115.8 44.1 -63.3 -49.6 -29.1 -0.1 -4.0 60 61 A A H X S+ 0 0 5 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.942 110.7 54.6 -61.8 -49.7 -29.4 -3.9 -3.6 61 62 A D H X S+ 0 0 54 -4,-1.8 4,-1.8 -5,-0.4 -1,-0.2 0.896 110.3 47.8 -49.8 -44.7 -32.8 -3.7 -2.1 62 63 A S H X S+ 0 0 68 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.977 115.1 42.3 -64.3 -55.6 -34.1 -1.7 -5.0 63 64 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 -25,-0.2 3,-0.4 0.908 114.7 49.7 -58.8 -47.6 -32.7 -3.9 -7.8 64 65 A F H X S+ 0 0 5 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.858 106.3 54.1 -64.2 -36.7 -33.6 -7.2 -6.1 65 66 A S H < S+ 0 0 22 -4,-1.8 296,-3.2 -5,-0.3 -1,-0.2 0.806 114.0 44.2 -70.5 -25.6 -37.2 -6.3 -5.5 66 67 A L H >< S+ 0 0 10 -4,-1.2 3,-1.6 -3,-0.4 -2,-0.2 0.897 112.5 49.1 -78.7 -46.2 -37.5 -5.5 -9.2 67 68 A L H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 4,-0.3 0.686 94.5 79.2 -64.6 -17.3 -35.7 -8.6 -10.4 68 69 A Q G >X S+ 0 0 8 -4,-1.2 4,-2.2 1,-0.3 3,-0.5 0.648 80.5 66.1 -68.0 -15.1 -38.0 -10.5 -8.1 69 70 A G G <4 S+ 0 0 2 -3,-1.6 14,-0.4 1,-0.2 -1,-0.3 0.569 94.7 57.9 -82.9 -10.0 -40.7 -10.2 -10.7 70 71 A F G <4 S+ 0 0 0 -3,-1.8 36,-0.3 -4,-0.1 -1,-0.2 0.532 119.3 29.4 -89.7 -9.4 -38.6 -12.4 -13.0 71 72 A I T <4 S+ 0 0 1 -3,-0.5 10,-2.4 -4,-0.3 -2,-0.2 0.795 109.8 57.5-112.7 -61.5 -38.6 -15.2 -10.3 72 73 A N B < S-C 80 0B 54 -4,-2.2 2,-0.2 8,-0.3 8,-0.2 -0.376 74.1-119.9 -79.9 153.1 -41.7 -15.1 -8.2 73 74 A S - 0 0 25 6,-0.5 287,-0.1 5,-0.2 8,-0.1 -0.609 10.2-149.0 -81.0 150.8 -45.4 -15.4 -9.1 74 75 A L S S+ 0 0 57 -2,-0.2 -1,-0.2 6,-0.1 286,-0.1 0.928 86.4 52.6 -81.1 -60.5 -47.7 -12.5 -8.3 75 76 A D S S- 0 0 71 1,-0.1 -2,-0.1 291,-0.0 0, 0.0 -0.260 85.8-131.1 -61.4 159.5 -50.8 -14.7 -7.8 76 77 A E S S+ 0 0 159 1,-0.1 -1,-0.1 4,-0.0 -3,-0.0 0.500 95.7 81.6 -93.6 -4.5 -50.4 -17.7 -5.5 77 78 A S S S+ 0 0 98 2,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.998 90.0 51.7 -51.9 -69.3 -52.0 -19.9 -8.1 78 79 A T S S- 0 0 74 1,-0.1 -5,-0.2 -6,-0.0 3,-0.1 -0.283 76.1-139.4 -75.2 154.2 -48.7 -20.3 -10.0 79 80 A Q S S+ 0 0 186 1,-0.2 -6,-0.5 -7,-0.1 2,-0.3 0.830 77.9 9.2 -80.1 -34.0 -45.4 -21.4 -8.5 80 81 A E B S-C 72 0B 63 -8,-0.2 -8,-0.3 -10,-0.0 -1,-0.2 -0.989 82.0 -81.5-153.8 157.9 -43.2 -19.0 -10.4 81 82 A S > - 0 0 8 -10,-2.4 3,-0.8 -2,-0.3 -8,-0.2 -0.151 27.8-136.2 -58.6 146.7 -42.8 -16.0 -12.8 82 83 A K T 3 S+ 0 0 97 1,-0.2 3,-0.3 -13,-0.1 -1,-0.1 0.490 100.8 63.5 -81.1 -6.2 -43.2 -16.5 -16.5 83 84 A L T > + 0 0 0 -14,-0.4 3,-2.4 1,-0.2 4,-0.4 0.478 67.0 107.3 -96.3 -2.9 -40.2 -14.3 -17.1 84 85 A R T < S+ 0 0 12 -3,-0.8 22,-1.8 1,-0.3 3,-0.3 0.794 87.3 34.8 -50.0 -40.4 -37.6 -16.4 -15.4 85 86 A Y T 3 S+ 0 0 86 -3,-0.3 -1,-0.3 20,-0.2 -2,-0.1 0.281 89.5 99.9 -98.1 8.1 -35.9 -17.6 -18.6 86 87 A I S < S+ 0 0 34 -3,-2.4 2,-0.4 -16,-0.1 -1,-0.2 0.747 76.9 53.7 -66.3 -26.3 -36.3 -14.4 -20.6 87 88 A Q - 0 0 36 -4,-0.4 2,-0.6 -3,-0.3 18,-0.3 -0.933 68.0-140.1-126.7 133.0 -32.8 -13.0 -20.0 88 89 A N - 0 0 65 -2,-0.4 2,-0.3 16,-0.2 16,-0.3 -0.759 25.3-168.1 -86.8 118.7 -29.2 -14.3 -20.5 89 90 A F E - B 0 103A 0 14,-2.2 14,-1.7 -2,-0.6 2,-0.4 -0.815 5.5-156.5-108.3 148.2 -26.9 -13.3 -17.7 90 91 A K E + B 0 102A 74 -2,-0.3 -77,-1.2 -77,-0.3 2,-0.3 -0.985 16.2 170.8-131.0 127.1 -23.2 -13.6 -17.6 91 92 A W E -AB 12 101A 1 10,-2.0 10,-2.4 -2,-0.4 -79,-0.2 -0.984 23.0-143.6-138.8 143.1 -20.9 -13.8 -14.6 92 93 A T - 0 0 22 -81,-2.4 2,-0.3 -2,-0.3 6,-0.1 -0.396 26.9-125.3 -88.5 178.6 -17.3 -14.4 -13.6 93 94 A D >> - 0 0 7 6,-0.5 4,-0.6 4,-0.5 3,-0.6 -0.960 14.6-118.8-133.6 148.5 -16.3 -16.3 -10.4 94 95 A T T 34 S+ 0 0 1 -2,-0.3 3,-0.3 1,-0.3 203,-0.1 0.860 114.8 29.4 -51.3 -44.5 -14.0 -15.5 -7.5 95 96 A L T 34 S+ 0 0 8 76,-0.4 -1,-0.3 1,-0.2 77,-0.1 0.574 110.1 67.7 -93.7 -10.9 -11.7 -18.5 -8.2 96 97 A Q T X4 S- 0 0 51 -3,-0.6 3,-1.1 1,-0.3 -1,-0.2 0.375 82.0-154.6 -96.8 3.7 -12.1 -18.8 -12.0 97 98 A G T 3< - 0 0 43 -4,-0.6 -4,-0.5 -3,-0.3 -1,-0.3 -0.346 65.0 -6.8 67.1-132.7 -10.4 -15.5 -13.0 98 99 A Q T 3 S+ 0 0 183 -2,-0.1 -1,-0.2 -6,-0.1 -2,-0.1 0.755 105.7 103.4 -70.9 -27.7 -11.3 -14.0 -16.4 99 100 A V < - 0 0 80 -3,-1.1 -6,-0.5 -6,-0.1 2,-0.1 -0.430 55.4-165.1 -68.1 118.9 -13.5 -16.9 -17.5 100 101 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.352 7.6-147.6 -90.7 175.6 -17.2 -16.1 -17.2 101 102 A S E -B 91 0A 33 -10,-2.4 -10,-2.0 -2,-0.1 2,-0.3 -0.968 10.0-152.6-145.9 136.0 -20.2 -18.4 -17.3 102 103 A A E +B 90 0A 47 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.789 16.9 168.7-110.5 148.8 -23.7 -17.7 -18.6 103 104 A Q E -B 89 0A 28 -14,-1.7 -14,-2.2 -2,-0.3 2,-1.3 -0.962 32.5-136.2-144.9 141.1 -27.2 -19.0 -17.8 104 105 A Q + 0 0 96 -2,-0.3 2,-0.3 -16,-0.3 -16,-0.2 -0.702 68.2 112.9 -99.2 88.2 -30.4 -17.6 -19.0 105 106 A D > - 0 0 2 -2,-1.3 4,-0.9 -18,-0.3 -20,-0.2 -0.964 62.9-144.9-152.6 132.6 -32.1 -17.9 -15.7 106 107 A A H > S+ 0 0 0 -22,-1.8 4,-2.0 -2,-0.3 3,-0.4 0.856 103.2 59.5 -72.5 -30.9 -33.2 -15.0 -13.5 107 108 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.831 98.0 58.7 -63.8 -33.7 -32.3 -17.0 -10.4 108 109 A F H > S+ 0 0 6 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.840 108.2 46.9 -62.3 -33.5 -28.7 -17.3 -11.7 109 110 A E H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.4 5,-0.3 0.893 109.0 53.5 -73.9 -42.1 -28.6 -13.5 -11.6 110 111 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.908 114.2 41.1 -59.1 -45.5 -30.1 -13.2 -8.2 111 112 A I H X S+ 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X S- 0 0 16 -3,-1.3 3,-1.3 1,-0.1 -1,-0.4 -0.567 72.6-126.4 -82.5 148.3 -23.2 -55.0 48.5 567 174 D D T 3 S+ 0 0 0 1,-0.3 6,-0.3 -2,-0.2 -1,-0.1 0.778 104.1 64.2 -61.4 -29.0 -22.0 -51.5 49.3 568 175 D L T 3 S+ 0 0 6 4,-0.1 -6,-0.4 -5,-0.1 2,-0.3 0.280 77.9 102.1 -88.7 9.3 -18.4 -52.3 48.6 569 176 D E S <> S- 0 0 16 -3,-1.3 4,-1.8 -6,-0.1 3,-0.5 -0.774 78.1-122.6 -93.1 144.3 -18.9 -53.0 44.9 570 177 D S H > S+ 0 0 58 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.825 103.6 53.2 -59.8 -42.2 -17.9 -50.3 42.4 571 178 D R H > S+ 0 0 103 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.881 109.6 49.3 -64.6 -38.6 -21.1 -49.7 40.6 572 179 D L H >> S+ 0 0 0 -3,-0.5 4,-1.5 -6,-0.2 3,-1.0 0.977 110.3 49.2 -63.0 -55.9 -23.1 -49.1 43.7 573 180 D I H 3X S+ 0 0 0 -4,-1.8 4,-2.1 -6,-0.3 3,-0.4 0.900 106.8 56.5 -51.5 -45.4 -20.7 -46.7 45.2 574 181 D E H 3X S+ 0 0 60 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.861 103.9 55.5 -53.9 -36.3 -20.6 -44.7 41.9 575 182 D A H S+ 0 0 0 -4,-3.1 5,-2.9 1,-0.2 -1,-0.2 0.814 113.1 46.8 -53.7 -32.8 -31.5 -20.0 41.9 593 200 D I H ><5S+ 0 0 26 -4,-1.4 3,-1.0 3,-0.2 -1,-0.2 0.914 112.6 45.4 -78.3 -46.4 -35.3 -19.9 41.9 594 201 D E H 3<5S+ 0 0 156 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.872 114.3 51.0 -64.9 -35.2 -35.8 -17.9 45.2 595 202 D L T 3<5S- 0 0 83 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.480 111.9-124.3 -81.7 -2.8 -33.0 -15.5 44.0 596 203 D K T < 5 + 0 0 170 -3,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.958 44.5 174.9 58.6 54.4 -34.8 -15.1 40.6 597 204 D H < - 0 0 34 -5,-2.9 -215,-0.1 1,-0.2 -1,-0.1 -0.313 43.5 -61.3 -80.5 175.9 -32.0 -16.1 38.4 598 205 D A > - 0 0 18 -217,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.218 39.4-129.7 -63.8 144.3 -32.3 -16.4 34.6 599 206 D P H > S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.829 109.4 56.2 -62.3 -32.1 -34.8 -19.0 33.3 600 207 D G H > S+ 0 0 12 -220,-0.6 4,-1.8 2,-0.2 -219,-0.2 0.851 107.5 48.0 -68.4 -35.4 -32.1 -20.4 31.0 601 208 D L H > S+ 0 0 2 -221,-0.7 4,-2.2 -3,-0.3 -1,-0.2 0.906 114.6 45.0 -71.4 -42.2 -29.8 -21.0 33.9 602 209 D I H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.889 112.8 50.6 -71.1 -38.7 -32.5 -22.7 36.0 603 210 D A H X S+ 0 0 1 -4,-2.6 4,-2.3 46,-0.2 -1,-0.2 0.897 111.3 48.9 -64.1 -41.2 -33.7 -24.8 33.1 604 211 D A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 135,-0.3 0.946 113.8 44.9 -65.2 -48.1 -30.1 -26.0 32.3 605 212 D L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.877 112.8 52.3 -62.9 -38.2 -29.4 -26.9 35.9 606 213 D A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.902 112.0 45.6 -64.4 -41.5 -32.8 -28.6 36.2 607 214 D Y H X S+ 0 0 37 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.892 111.0 52.2 -69.2 -41.0 -32.1 -30.7 33.1 608 215 D E H X S+ 0 0 36 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.880 108.1 52.7 -61.3 -38.8 -28.6 -31.6 34.2 609 216 D T H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.914 105.6 52.9 -64.8 -43.7 -30.0 -32.8 37.6 610 217 D A H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.902 106.7 54.6 -57.3 -41.8 -32.5 -35.1 35.9 611 218 D N H X S+ 0 0 47 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.878 103.5 54.4 -59.1 -40.7 -29.6 -36.6 33.9 612 219 D F H X S+ 0 0 43 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.889 109.1 48.9 -61.9 -38.5 -27.7 -37.4 37.1 613 220 D Y H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.854 110.2 50.8 -67.8 -34.4 -30.8 -39.3 38.3 614 221 D Q H X S+ 0 0 108 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.804 111.5 48.2 -72.9 -29.1 -31.0 -41.2 35.0 615 222 D K H X S+ 0 0 118 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.880 111.8 48.1 -77.3 -40.9 -27.3 -42.1 35.3 616 223 D A H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 113.9 48.9 -60.6 -44.8 -27.6 -43.3 38.9 617 224 D D H < S+ 0 0 23 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.897 111.5 47.8 -63.2 -42.3 -30.7 -45.2 37.9 618 225 D H H < S+ 0 0 134 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.735 110.1 54.1 -71.1 -22.8 -28.9 -46.8 34.9 619 226 D T H >< S+ 0 0 21 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.897 110.6 44.4 -74.6 -41.9 -26.0 -47.7 37.1 620 227 D L G >< S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.497 92.0 91.5 -76.7 -5.8 -28.3 -49.5 39.6 621 228 D S G 3 S+ 0 0 50 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.804 77.4 58.3 -62.4 -30.9 -30.0 -51.1 36.6 622 229 D S G < S+ 0 0 60 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.408 92.1 92.5 -83.6 3.3 -27.7 -54.1 36.6 623 230 D L S < S- 0 0 11 -3,-1.6 -3,-0.0 1,-0.1 -59,-0.0 -0.392 92.2 -79.7 -93.0 175.2 -28.6 -55.1 40.2 624 231 D E >> - 0 0 103 1,-0.2 4,-1.8 -2,-0.1 3,-1.0 -0.636 32.5-141.0 -80.4 116.0 -31.3 -57.5 41.5 625 232 D P H 3> S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.737 93.8 76.8 -46.5 -30.1 -34.7 -55.7 41.5 626 233 D A H 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.2 -3,-0.0 0.953 112.1 17.6 -45.0 -65.5 -35.4 -57.4 44.8 627 234 D Y H <4 S+ 0 0 31 -3,-1.0 4,-0.4 1,-0.2 3,-0.2 0.819 131.8 45.0 -81.0 -33.3 -33.2 -55.0 46.8 628 235 D S H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.617 84.7 94.5 -88.3 -12.9 -32.8 -52.1 44.4 629 236 D A H X S+ 0 0 36 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.866 87.1 41.5 -52.8 -53.0 -36.4 -51.7 43.2 630 237 D K H > S+ 0 0 11 58,-0.4 4,-1.8 -4,-0.3 3,-0.4 0.923 115.6 50.9 -63.4 -46.4 -37.7 -49.1 45.6 631 238 D W H >> S+ 0 0 3 -4,-0.4 4,-2.0 1,-0.2 3,-0.6 0.975 108.7 49.5 -51.8 -62.0 -34.5 -47.0 45.3 632 239 D R H 3X S+ 0 0 74 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.712 106.9 59.3 -55.3 -20.6 -34.5 -46.9 41.5 633 240 D K H 3X S+ 0 0 53 -4,-1.0 4,-2.1 -3,-0.4 -1,-0.3 0.933 104.5 47.6 -72.1 -48.3 -38.1 -45.9 41.7 634 241 D Y H S+ 0 0 7 -4,-2.6 5,-3.7 1,-0.2 9,-0.2 0.741 112.2 53.5 -66.3 -24.4 -39.2 -19.8 24.2 655 262 D L H ><5S+ 0 0 15 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.2 0.883 106.1 50.0 -77.5 -41.5 -41.7 -17.1 25.3 656 263 D A H 3<5S+ 0 0 78 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.824 110.3 50.8 -66.5 -30.7 -39.1 -14.4 25.7 657 264 D S T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.308 121.8-117.8 -88.1 6.9 -37.8 -15.2 22.3 658 265 D D T < 5 + 0 0 105 -3,-1.3 2,-0.8 1,-0.2 -3,-0.2 0.813 65.3 144.1 65.3 37.0 -41.4 -14.9 21.3 659 266 D K >< + 0 0 105 -5,-3.7 4,-1.3 1,-0.2 -1,-0.2 -0.903 21.0 176.8-102.6 105.2 -42.1 -18.4 20.0 660 267 D b H > S+ 0 0 8 -2,-0.8 4,-2.3 2,-0.2 5,-0.2 0.921 70.5 51.0 -79.8 -47.2 -45.7 -18.9 21.2 661 268 D G H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.933 116.4 41.4 -55.1 -49.1 -46.6 -22.3 19.8 662 269 D E H > S+ 0 0 60 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.816 110.2 57.8 -75.1 -32.0 -43.5 -24.0 21.3 663 270 D A H X S+ 0 0 0 -4,-1.3 4,-2.4 -9,-0.2 5,-0.2 0.990 108.4 46.2 -54.9 -62.4 -43.8 -22.1 24.6 664 271 D I H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.855 114.1 49.7 -47.8 -41.0 -47.3 -23.4 25.1 665 272 D R H X S+ 0 0 38 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.933 108.6 49.9 -69.1 -45.8 -46.1 -26.9 24.2 666 273 D S H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.865 113.6 48.4 -59.4 -35.5 -43.1 -26.9 26.5 667 274 D L H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.840 106.4 54.2 -73.7 -36.7 -45.4 -25.8 29.3 668 275 D Q H X S+ 0 0 76 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.881 110.2 50.6 -61.1 -37.0 -47.9 -28.5 28.5 669 276 D E H X S+ 0 0 17 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.944 106.7 52.0 -65.0 -51.5 -45.0 -30.8 28.9 670 277 D A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.929 113.9 43.9 -49.9 -50.4 -44.0 -29.4 32.2 671 278 D E H X S+ 0 0 101 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.820 113.3 52.2 -68.0 -31.7 -47.5 -29.8 33.6 672 279 D K H X S+ 0 0 111 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.972 110.6 45.3 -68.5 -53.7 -47.8 -33.3 32.1 673 280 D L H X S+ 0 0 24 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.861 111.1 53.1 -58.5 -41.0 -44.5 -34.7 33.6 674 281 D Y H X S+ 0 0 13 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.909 107.6 50.5 -63.4 -42.6 -45.2 -33.3 37.0 675 282 D A H < S+ 0 0 59 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.829 113.5 47.5 -63.8 -32.1 -48.7 -34.9 37.1 676 283 D K H >X S+ 0 0 101 -4,-1.6 4,-2.3 2,-0.2 3,-0.8 0.865 106.4 56.1 -71.9 -39.7 -46.9 -38.1 36.1 677 284 D A H 3X S+ 0 0 3 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.824 102.7 56.4 -63.1 -30.9 -44.2 -37.5 38.8 678 285 D E H 3X S+ 0 0 101 -4,-1.8 4,-0.9 2,-0.2 -1,-0.3 0.742 107.0 51.6 -69.5 -23.1 -47.1 -37.4 41.3 679 286 D A H X> S+ 0 0 54 -3,-0.8 4,-2.9 -4,-0.4 3,-1.3 0.976 108.6 46.3 -73.6 -62.0 -48.0 -40.8 40.0 680 287 D L H 3X S+ 0 0 12 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.777 104.2 67.5 -49.5 -29.4 -44.5 -42.4 40.4 681 288 D C H 3X S+ 0 0 25 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.3 0.932 110.4 32.0 -58.6 -46.2 -44.6 -40.7 43.9 682 289 D K H < S+ 0 0 3 -4,-1.9 3,-1.0 -5,-0.3 -2,-0.2 0.861 107.4 55.2 -80.8 -41.8 -42.9 -45.3 44.8 685 292 D G H 3< S+ 0 0 33 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.850 113.2 42.6 -60.6 -35.6 -44.6 -45.1 48.2 686 293 D E T 3< S+ 0 0 157 -4,-2.2 2,-0.3 -5,-0.1 -1,-0.2 0.386 92.0 103.7 -95.9 2.1 -46.2 -48.5 47.7 687 294 D T S < S- 0 0 37 -3,-1.0 2,-0.5 -5,-0.2 -3,-0.0 -0.699 70.5-128.8 -83.9 138.9 -43.0 -50.1 46.2 688 295 D K + 0 0 177 -2,-0.3 -58,-0.4 -58,-0.0 -59,-0.1 -0.771 52.2 94.2-100.7 127.4 -41.2 -52.4 48.6 689 296 D G S S- 0 0 32 -2,-0.5 -62,-0.1 2,-0.2 -61,-0.1 -0.969 71.4 -38.4 174.1 174.4 -37.5 -52.1 49.4 690 297 D P S S+ 0 0 28 0, 0.0 -59,-0.1 0, 0.0 -201,-0.1 -0.258 96.1 40.5 -55.7 137.7 -34.7 -50.7 51.7 691 298 D G S S- 0 0 18 -203,-0.1 -2,-0.2 2,-0.0 -290,-0.2 0.106 85.6 -82.8 100.2 147.5 -35.2 -47.2 53.0 692 299 D P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 -292,-0.3 -0.292 44.6-105.2 -76.0 163.8 -38.2 -45.2 54.3 693 300 D T - 0 0 77 -294,-0.1 2,-0.3 -8,-0.1 -8,-0.1 -0.770 34.6-168.8 -94.6 138.0 -40.8 -43.4 52.2 694 301 D V - 0 0 45 -2,-0.4 -297,-0.1 -13,-0.1 -295,-0.1 -0.897 9.7-143.9-123.6 153.5 -40.8 -39.6 51.8 695 302 D K - 0 0 166 -2,-0.3 -2,-0.0 1,-0.1 -14,-0.0 -0.969 4.6-151.9-124.2 137.1 -43.3 -37.1 50.3 696 303 D P + 0 0 19 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.904 36.1 149.8 -66.6 -49.7 -42.6 -33.9 48.4 697 304 D S + 0 0 89 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.183 42.5 85.9 46.8-142.0 -45.7 -31.7 49.2 698 305 D G - 0 0 53 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.550 62.1-169.4 42.2 39.6 -44.5 -28.2 49.1 699 306 D H + 0 0 104 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 -0.466 26.0 166.8 -67.8 123.0 -44.9 -27.3 45.4 700 307 D L S > S+ 0 0 93 -2,-0.3 4,-1.6 2,-0.1 -1,-0.2 0.329 71.4 82.8 -98.4 -3.5 -43.2 -24.0 44.4 701 308 D F H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.969 84.1 46.8 -64.1 -60.0 -43.8 -25.4 41.0 702 309 D F H > S+ 0 0 67 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.810 106.2 62.2 -60.8 -31.6 -47.4 -24.5 40.3 703 310 D R H > S+ 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