==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN/DNA 12-APR-10 3MIS . COMPND 2 MOLECULE: MSO-8G; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR G.K.TAYLOR,B.L.STODDARD . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 72.4 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 . 44 13.7 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 . 2 0.6 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 1 1 1 2 1 1 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A T 0 0 165 0, 0.0 2,-0.5 0, 0.0 59,-0.1 0.000 360.0 360.0 360.0-153.8 30.3 -28.9 -15.3 2 7 A L - 0 0 21 58,-0.1 58,-0.1 4,-0.1 5,-0.0 -0.413 360.0-149.0 -70.8 109.7 26.6 -29.0 -14.3 3 8 A Q > - 0 0 100 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.317 22.7-110.4 -74.0 157.0 25.8 -31.7 -11.7 4 9 A P H > S+ 0 0 68 0, 0.0 4,-3.1 0, 0.0 3,-0.3 0.952 115.9 40.1 -55.1 -66.1 22.4 -33.4 -11.5 5 10 A T H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.765 114.2 59.0 -59.1 -23.8 20.9 -32.0 -8.4 6 11 A E H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 109.5 40.7 -66.9 -46.1 22.4 -28.8 -9.5 7 12 A A H X S+ 0 0 4 -4,-2.5 4,-2.6 -3,-0.3 -2,-0.2 0.885 114.6 54.1 -67.5 -35.5 20.4 -28.9 -12.7 8 13 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.882 108.2 48.9 -64.3 -39.9 17.3 -30.2 -10.8 9 14 A Y H X S+ 0 0 4 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.953 112.3 47.7 -61.5 -49.9 17.5 -27.2 -8.4 10 15 A I H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.912 110.5 52.1 -60.8 -41.7 17.7 -24.8 -11.3 11 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 86,-0.3 0.934 110.9 49.0 -58.0 -43.9 14.8 -26.6 -13.0 12 17 A G H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.916 115.0 42.8 -64.0 -43.8 12.8 -26.2 -9.8 13 18 A F H >X>S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 3,-1.3 0.888 111.7 53.1 -69.2 -44.4 13.7 -22.5 -9.5 14 19 A L H 3X5S+ 0 0 0 -4,-3.4 4,-1.6 1,-0.3 -2,-0.2 0.929 106.0 56.2 -56.2 -43.9 13.1 -21.8 -13.2 15 20 A D H 3<5S+ 0 0 1 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.674 119.5 32.5 -60.9 -17.1 9.7 -23.4 -12.8 16 21 A G H <45S+ 0 0 14 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.832 135.9 13.4-104.9 -65.9 9.0 -20.9 -10.1 17 22 A D H <5S+ 0 0 41 -4,-2.6 27,-1.6 -5,-0.1 -3,-0.2 0.367 115.2 77.4 -94.9 6.6 10.7 -17.6 -10.6 18 23 A G E << -A 43 0A 11 -4,-1.6 2,-0.3 -5,-0.6 25,-0.2 -0.277 58.7-141.8-116.2-168.8 11.6 -18.1 -14.2 19 24 A S E -A 42 0A 36 23,-2.0 23,-1.8 -2,-0.1 2,-0.5 -0.962 9.4-163.8-163.5 131.8 10.4 -18.1 -17.8 20 25 A I E +A 41 0A 0 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.967 36.5 154.6-119.3 111.8 10.7 -19.9 -21.1 21 26 A Y E -A 40 0A 57 19,-1.9 19,-2.0 -2,-0.5 2,-0.3 -0.891 31.3-154.7-138.8 165.8 9.3 -17.9 -24.0 22 27 A A E -A 39 0A 2 -2,-0.3 2,-0.3 108,-0.2 17,-0.2 -0.981 16.0-173.3-138.8 144.6 9.5 -17.3 -27.7 23 28 A K E -A 38 0A 82 15,-2.4 15,-3.3 -2,-0.3 2,-0.9 -1.000 26.4-126.6-147.1 148.8 8.6 -14.1 -29.6 24 29 A L E -A 37 0A 24 -2,-0.3 13,-0.2 13,-0.2 -2,-0.0 -0.810 32.6-167.3 -94.0 105.2 8.3 -12.9 -33.2 25 30 A E E -A 36 0A 58 11,-2.4 11,-1.5 -2,-0.9 2,-0.2 -0.780 16.5-125.4 -99.8 137.0 10.4 -9.8 -33.6 26 31 A P E -A 35 0A 79 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.509 17.6-167.3 -79.3 143.2 10.2 -7.5 -36.7 27 32 A R > - 0 0 65 7,-4.0 3,-2.1 -2,-0.2 8,-0.1 -0.757 7.4-174.1-134.4 86.3 13.3 -6.6 -38.7 28 33 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.708 86.9 55.6 -51.2 -23.3 12.7 -3.7 -41.1 29 34 A D T 3 S+ 0 0 128 -3,-0.1 2,-0.1 5,-0.1 5,-0.0 0.589 84.5 99.0 -90.9 -12.7 16.2 -4.3 -42.5 30 35 A Y S < S- 0 0 74 -3,-2.1 4,-0.1 1,-0.1 -3,-0.0 -0.383 70.4-132.7 -71.9 156.6 15.8 -7.9 -43.4 31 36 A K S S- 0 0 113 2,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.975 78.6 -4.9 -75.9 -85.4 15.0 -8.7 -47.1 32 37 A D S S+ 0 0 70 1,-0.2 2,-1.2 3,-0.0 -2,-0.1 0.950 133.6 36.3 -74.8 -87.2 12.1 -11.2 -47.5 33 38 A I S S- 0 0 7 84,-0.2 2,-1.1 1,-0.1 -1,-0.2 -0.570 72.0-165.7 -74.9 97.2 10.9 -12.4 -44.1 34 39 A K + 0 0 92 -2,-1.2 -7,-4.0 -3,-0.2 2,-0.4 -0.142 57.4 89.2 -84.0 41.1 11.4 -9.3 -42.0 35 40 A Y E -A 26 0A 42 -2,-1.1 2,-0.4 -9,-0.3 -2,-0.1 -0.956 57.1-158.8-139.4 118.3 11.1 -11.1 -38.7 36 41 A Q E -A 25 0A 39 -11,-1.5 -11,-2.4 -2,-0.4 2,-0.6 -0.761 24.9-130.3 -81.0 141.9 13.7 -12.8 -36.6 37 42 A V E -A 24 0A 3 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.866 23.3-150.3 -91.9 124.2 12.3 -15.3 -34.2 38 43 A R E -A 23 0A 60 -15,-3.3 -15,-2.4 -2,-0.6 2,-0.4 -0.784 12.9-172.3 -99.9 139.9 13.6 -14.8 -30.6 39 44 A L E +A 22 0A 9 -2,-0.4 42,-1.8 -17,-0.2 2,-0.3 -0.965 15.7 147.1-128.2 142.2 14.1 -17.5 -28.0 40 45 A A E -AB 21 80A 1 -19,-2.0 -19,-1.9 -2,-0.4 2,-0.3 -0.996 34.1-151.7-162.6 159.9 15.0 -17.2 -24.4 41 46 A I E -AB 20 79A 0 38,-1.3 38,-3.3 -2,-0.3 2,-0.3 -0.937 27.5-178.8-123.0 155.3 14.9 -18.4 -20.8 42 47 A S E -AB 19 78A 8 -23,-1.8 -23,-2.0 -2,-0.3 2,-0.4 -0.974 21.4-143.3-146.4 158.3 15.2 -15.9 -17.9 43 48 A F E -AB 18 77A 0 34,-2.6 34,-2.2 -2,-0.3 2,-0.3 -0.996 19.4-162.6-123.4 133.9 15.3 -15.8 -14.1 44 49 A I E + B 0 76A 47 -27,-1.6 2,-0.3 -2,-0.4 32,-0.2 -0.823 19.9 142.0-117.6 151.6 13.7 -13.0 -12.2 45 50 A Q E - B 0 75A 12 30,-1.9 30,-2.5 -2,-0.3 2,-0.2 -0.969 53.4 -74.1-177.2 161.4 14.2 -11.8 -8.5 46 51 A R E > - B 0 74A 72 -2,-0.3 3,-2.3 28,-0.3 28,-0.2 -0.512 49.9-118.1 -70.1 139.0 14.5 -8.9 -6.1 47 52 A K G > S+ 0 0 86 26,-2.1 3,-1.2 1,-0.3 -1,-0.1 0.627 108.3 71.7 -62.2 -14.2 17.9 -7.3 -6.5 48 53 A D G 3 S+ 0 0 88 1,-0.2 -1,-0.3 25,-0.2 -2,-0.1 0.401 99.2 49.2 -81.1 4.7 18.9 -8.1 -2.9 49 54 A K G X> S+ 0 0 37 -3,-2.3 3,-2.5 1,-0.1 4,-0.6 0.152 70.4 122.8-124.3 16.4 19.2 -11.8 -4.0 50 55 A F H X> + 0 0 37 -3,-1.2 4,-2.9 1,-0.3 3,-1.8 0.827 64.9 67.6 -45.3 -41.5 21.4 -11.1 -7.1 51 56 A P H 3> S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.742 95.2 56.4 -56.3 -23.0 24.1 -13.5 -5.7 52 57 A Y H <> S+ 0 0 55 -3,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.684 110.2 45.0 -81.2 -20.9 21.7 -16.4 -6.2 53 58 A L H X>S+ 0 0 43 -4,-3.0 5,-2.5 2,-0.2 4,-0.7 0.917 108.9 46.7 -67.8 -44.3 24.8 -18.1 -14.0 58 63 A D H ><5S+ 0 0 55 -4,-2.9 3,-0.8 -5,-0.3 -2,-0.2 0.888 109.9 56.1 -62.3 -38.0 28.2 -19.4 -12.9 59 64 A Q H 3<5S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.719 105.4 50.8 -68.7 -21.7 26.7 -22.9 -12.8 60 65 A L H <<5S- 0 0 17 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.584 128.9 -89.2 -93.0 -12.3 25.5 -22.7 -16.4 61 66 A G T <<5 - 0 0 49 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.593 65.3 -76.6 111.6 20.1 28.9 -21.6 -17.8 62 67 A K S +B 40 0A 94 -2,-0.6 4,-0.5 -40,-0.2 -40,-0.2 -0.671 36.9 25.6 -90.7 147.7 19.1 -15.5 -25.6 81 86 A G H > S- 0 0 28 -42,-1.8 4,-2.5 -2,-0.3 3,-0.5 0.533 78.4 -86.2 93.5 143.1 19.6 -17.7 -28.6 82 87 A S H > S+ 0 0 46 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.752 116.5 64.0 -48.8 -32.0 19.8 -21.2 -29.9 83 88 A T H > S+ 0 0 94 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.958 112.3 29.8 -68.1 -51.6 23.5 -21.4 -29.1 84 89 A H H X S+ 0 0 59 -4,-0.5 4,-2.8 -3,-0.5 3,-0.5 0.918 123.9 50.3 -69.4 -42.9 23.3 -21.0 -25.3 85 90 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.881 103.0 56.5 -70.2 -39.4 19.9 -22.7 -25.2 86 91 A S H < S+ 0 0 59 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.799 117.1 40.2 -62.3 -23.6 20.9 -25.8 -27.3 87 92 A I H X S+ 0 0 74 -4,-0.7 4,-0.5 -3,-0.5 -2,-0.2 0.877 123.9 35.9 -85.9 -42.2 23.6 -26.2 -24.7 88 93 A I H >X S+ 0 0 3 -4,-2.8 4,-1.2 2,-0.1 3,-0.8 0.918 106.6 60.6 -83.5 -47.2 21.6 -25.3 -21.5 89 94 A L H >X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 3,-1.3 0.902 98.2 57.2 -52.1 -49.5 18.1 -26.6 -22.1 90 95 A P H 34 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.851 105.9 51.8 -56.0 -35.0 19.0 -30.3 -22.5 91 96 A D H << S+ 0 0 71 -3,-0.8 -2,-0.2 -4,-0.5 4,-0.2 0.827 119.0 37.2 -65.1 -31.1 20.6 -30.3 -19.1 92 97 A L H XX S+ 0 0 0 -3,-1.3 3,-1.7 -4,-1.2 4,-0.8 0.781 96.1 79.2 -94.1 -30.8 17.4 -28.8 -17.6 93 98 A V G >< S+ 0 0 22 -4,-3.0 3,-1.0 1,-0.3 -1,-0.1 0.847 88.7 56.9 -50.3 -43.6 14.7 -30.5 -19.6 94 99 A P G 34 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.777 115.8 36.1 -65.7 -22.7 14.8 -33.8 -17.5 95 100 A Y G <4 S+ 0 0 62 -3,-1.7 2,-0.3 -4,-0.2 -2,-0.2 0.352 93.9 103.7-109.3 4.1 14.2 -31.9 -14.3 96 101 A L << + 0 0 1 -3,-1.0 -84,-0.1 -4,-0.8 -85,-0.1 -0.666 36.0 163.6 -83.8 143.0 11.7 -29.3 -15.6 97 102 A R > + 0 0 50 -2,-0.3 3,-0.7 -86,-0.3 4,-0.4 0.658 69.6 33.5-120.5 -66.9 8.1 -29.9 -14.8 98 103 A I T 3 S+ 0 0 17 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.887 132.5 30.1 -63.6 -40.9 5.9 -26.8 -15.2 99 104 A K T 3> S+ 0 0 25 -88,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.231 85.1 109.6-107.1 14.0 7.8 -25.4 -18.2 100 105 A K H <> S+ 0 0 70 -3,-0.7 4,-2.1 1,-0.2 5,-0.2 0.889 79.9 51.3 -57.6 -43.5 9.1 -28.6 -19.7 101 106 A K H > S+ 0 0 121 -4,-0.4 4,-2.8 -3,-0.3 5,-0.2 0.957 108.7 51.2 -58.2 -51.3 6.8 -28.3 -22.7 102 107 A Q H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 109.1 52.5 -49.0 -45.3 8.0 -24.7 -23.3 103 108 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.883 110.6 45.8 -64.3 -39.4 11.6 -26.0 -23.1 104 109 A N H X S+ 0 0 64 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.869 108.5 55.9 -71.9 -38.6 11.0 -28.7 -25.8 105 110 A R H X S+ 0 0 67 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.902 106.6 51.9 -59.2 -41.2 9.1 -26.2 -28.0 106 111 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.917 111.3 45.9 -61.1 -41.6 12.3 -24.1 -27.9 107 112 A L H X S+ 0 0 37 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.895 111.4 52.8 -66.7 -40.8 14.5 -27.1 -28.9 108 113 A H H X S+ 0 0 97 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.906 110.4 47.9 -59.1 -44.0 12.0 -27.9 -31.6 109 114 A I H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.7 0.947 109.8 50.9 -63.7 -47.6 12.2 -24.4 -32.8 110 115 A I H 3< S+ 0 0 24 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 107.1 57.2 -59.1 -29.0 16.0 -24.5 -32.7 111 116 A N H 3< S+ 0 0 131 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.816 116.0 33.0 -71.5 -33.0 15.8 -27.7 -34.8 112 117 A L H < S+ 0 0 2 -4,-1.8 3,-1.0 -3,-0.3 -1,-0.2 0.778 83.3 85.1 -71.9 -25.9 13.0 -22.2 -41.9 117 122 A Q T 3< S+ 0 0 64 -4,-1.7 -84,-0.2 -3,-0.5 -1,-0.2 0.877 105.9 15.4 -44.4 -62.5 15.1 -19.1 -42.4 118 123 A K T 3 S+ 0 0 114 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.222 106.4 92.3-105.7 14.2 14.6 -18.5 -46.1 119 124 A N <> - 0 0 55 -3,-1.0 4,-2.4 -4,-0.3 5,-0.3 -0.879 56.1-165.6-110.8 99.9 11.6 -20.8 -46.6 120 125 A P H > S+ 0 0 29 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.788 91.8 50.1 -52.4 -32.8 8.4 -18.6 -46.1 121 126 A S H > S+ 0 0 80 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.951 114.5 40.1 -69.1 -52.9 6.4 -21.9 -45.9 122 127 A K H > S+ 0 0 105 1,-0.3 4,-1.6 2,-0.2 -6,-0.2 0.645 110.3 60.9 -74.2 -17.5 8.7 -23.6 -43.3 123 128 A F H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -1,-0.3 0.824 99.7 56.4 -74.1 -32.2 9.0 -20.3 -41.5 124 129 A L H X S+ 0 0 14 -4,-0.9 4,-1.1 -3,-0.4 -2,-0.2 0.840 107.0 47.7 -69.3 -33.1 5.2 -20.4 -41.0 125 130 A D H X S+ 0 0 82 -4,-1.0 4,-1.4 2,-0.2 3,-0.3 0.912 112.5 49.0 -66.6 -47.4 5.5 -23.8 -39.3 126 131 A L H X S+ 0 0 2 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.852 108.9 54.0 -62.3 -32.4 8.2 -22.4 -37.1 127 132 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-0.3 0.827 101.3 59.8 -71.1 -28.4 6.0 -19.4 -36.4 128 133 A K H X S+ 0 0 88 -4,-1.1 4,-1.3 -3,-0.3 -1,-0.2 0.875 100.8 53.6 -67.5 -36.5 3.2 -21.7 -35.3 129 134 A I H X S+ 0 0 23 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.748 104.2 56.6 -70.3 -23.1 5.5 -23.1 -32.5 130 135 A V H X S+ 0 0 0 -4,-0.8 4,-1.9 -3,-0.3 -108,-0.2 0.884 106.7 49.1 -70.6 -39.3 6.1 -19.6 -31.4 131 136 A D H X S+ 0 0 12 -4,-1.6 4,-1.6 1,-0.2 14,-0.4 0.820 109.2 55.7 -63.8 -30.6 2.3 -19.2 -31.0 132 137 A D H X S+ 0 0 64 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.883 108.2 43.9 -75.1 -39.2 2.4 -22.5 -29.1 133 138 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.956 113.9 48.5 -71.0 -51.1 4.9 -21.4 -26.5 134 139 A Q H < S+ 0 0 36 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.878 111.6 54.1 -55.0 -37.6 3.3 -18.0 -25.8 135 140 A N H >< S+ 0 0 41 -4,-1.6 3,-1.1 -5,-0.2 -1,-0.2 0.900 104.3 52.8 -61.0 -44.1 0.1 -19.9 -25.6 136 141 A L H 3< S+ 0 0 60 -4,-1.9 2,-0.5 1,-0.3 -2,-0.2 0.901 103.6 58.7 -59.2 -40.7 1.5 -22.2 -23.0 137 142 A N T 3< S+ 0 0 57 -4,-2.2 2,-0.3 -117,-0.1 -1,-0.3 -0.046 99.3 79.3 -79.3 33.5 2.5 -19.1 -20.9 138 143 A K S < S- 0 0 58 -3,-1.1 2,-0.1 -2,-0.5 6,-0.0 -0.970 86.1-105.1-138.5 152.8 -1.1 -17.9 -20.8 139 144 A R > - 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E 0 237B 10 30,-2.7 30,-3.6 -2,-0.4 2,-0.2 -0.990 51.9 -79.1-166.6 159.3 0.6 -21.4 -7.5 208 51 B R E > - E 0 236B 74 -2,-0.3 3,-3.0 28,-0.2 28,-0.2 -0.479 50.7-114.8 -67.1 137.2 -2.3 -20.5 -9.9 209 52 B K G > S+ 0 0 95 26,-2.3 3,-1.6 1,-0.3 -1,-0.1 0.699 110.8 67.8 -50.9 -26.9 -5.1 -23.1 -9.4 210 53 B D G 3 S+ 0 0 88 1,-0.3 -1,-0.3 25,-0.2 -2,-0.1 0.576 99.4 50.7 -73.9 -9.2 -4.7 -24.4 -13.0 211 54 B K G X> S+ 0 0 41 -3,-3.0 3,-2.3 1,-0.1 4,-0.5 0.151 73.4 121.4-109.5 17.8 -1.3 -25.9 -12.1 212 55 B F H X> + 0 0 30 -3,-1.6 3,-2.4 1,-0.3 4,-1.9 0.848 61.8 67.2 -47.4 -46.2 -2.6 -27.6 -9.0 213 56 B P H 3> S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.735 94.1 61.1 -51.2 -22.3 -1.5 -31.1 -10.2 214 57 B Y H <> S+ 0 0 77 -3,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.753 105.8 45.6 -78.8 -24.8 2.1 -29.9 -9.8 215 58 B L H X S+ 0 0 54 -4,-1.8 4,-2.3 -5,-0.2 3,-0.8 0.978 109.0 44.7 -53.3 -62.6 3.1 -34.0 -7.3 218 61 B I H 3< S+ 0 0 2 -4,-1.5 4,-0.4 1,-0.3 -1,-0.2 0.641 114.0 52.6 -62.1 -17.7 5.4 -32.4 -4.7 219 62 B Y H 3<>S+ 0 0 51 -4,-2.0 5,-2.4 -3,-0.2 6,-0.4 0.785 107.9 50.0 -87.2 -34.4 3.0 -33.5 -1.9 220 63 B D H X<5S+ 0 0 59 -4,-1.9 3,-1.3 -3,-0.8 -2,-0.2 0.954 110.2 48.8 -69.1 -51.3 3.0 -37.1 -3.1 221 64 B Q T 3<5S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.3 -57,-0.2 0.735 105.1 61.3 -60.3 -23.5 6.8 -37.3 -3.2 222 65 B L T > 5S- 0 0 9 -4,-0.4 3,-1.2 -5,-0.3 -1,-0.3 -0.046 127.1 -97.3 -93.7 31.2 6.9 -35.7 0.3 223 66 B G T < 5 - 0 0 54 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.2 0.610 64.3 -77.6 67.7 11.9 5.0 -38.7 1.8 224 67 B K T 3 S- 0 0 30 -42,-1.4 4,-2.5 3,-0.1 5,-0.2 0.640 76.5 -93.8 88.7 141.6 4.3 -28.7 12.5 244 87 B S H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.727 116.1 61.2 -61.3 -22.6 7.6 -29.9 13.9 245 88 B T H > S+ 0 0 95 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.990 112.5 32.2 -70.4 -60.1 6.6 -33.5 13.1 246 89 B H H > S+ 0 0 65 -4,-0.4 4,-2.3 1,-0.2 3,-0.4 0.907 123.6 51.2 -58.6 -39.7 6.2 -33.2 9.3 247 90 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.869 100.8 57.0 -75.8 -38.3 8.9 -30.6 9.3 248 91 B S H < S+ 0 0 53 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.782 116.5 40.7 -62.3 -22.7 11.6 -32.5 11.2 249 92 B I H X S+ 0 0 81 -4,-1.0 4,-0.5 -3,-0.4 -2,-0.2 0.846 122.7 37.9 -90.1 -36.1 11.2 -35.2 8.5 250 93 B I H >X S+ 0 0 3 -4,-2.3 3,-1.0 -5,-0.2 4,-0.9 0.949 107.2 57.5 -83.1 -53.0 10.9 -32.9 5.5 251 94 B L H >X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 3,-1.2 0.855 100.1 57.8 -49.2 -43.6 13.3 -30.0 6.1 252 95 B P H 34 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.862 104.1 52.9 -64.1 -31.4 16.4 -32.1 6.5 253 96 B D H << S+ 0 0 69 -3,-1.0 -2,-0.2 -4,-0.5 4,-0.2 0.759 118.6 37.3 -65.0 -26.1 15.9 -33.6 3.0 254 97 B L H XX S+ 0 0 0 -3,-1.2 3,-2.1 -4,-0.9 4,-2.0 0.833 95.0 77.7 -99.5 -39.3 15.6 -30.1 1.5 255 98 B V T 3< S+ 0 0 17 -4,-3.0 -2,-0.1 1,-0.3 -1,-0.1 0.809 88.8 59.8 -43.0 -44.0 18.2 -28.0 3.4 256 99 B P T 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.839 117.3 32.2 -59.8 -29.6 21.2 -29.4 1.5 257 100 B Y T <4 S+ 0 0 63 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.647 95.5 103.8 -99.7 -19.3 19.7 -28.1 -1.8 258 101 B L < + 0 0 1 -4,-2.0 -84,-0.1 1,-0.2 -85,-0.1 -0.327 36.3 163.5 -63.2 146.6 17.9 -25.0 -0.5 259 102 B R > + 0 0 42 -86,-0.3 3,-0.9 3,-0.1 4,-0.4 0.575 68.6 34.7-126.0 -64.5 19.7 -21.8 -1.2 260 103 B I T 3 S+ 0 0 16 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.875 132.6 29.7 -66.9 -36.7 17.5 -18.7 -0.9 261 104 B K T 3> S+ 0 0 25 -88,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.077 86.6 109.8-113.3 20.9 15.5 -20.0 2.1 262 105 B K H <> S+ 0 0 69 -3,-0.9 4,-2.8 2,-0.2 3,-0.2 0.971 79.1 50.1 -62.4 -54.1 18.2 -22.3 3.6 263 106 B K H > S+ 0 0 109 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.936 109.2 52.0 -49.0 -54.5 18.7 -20.1 6.7 264 107 B Q H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 111.2 47.9 -48.7 -44.8 15.0 -19.9 7.3 265 108 B A H X S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.2 -1,-0.2 0.926 109.7 51.4 -66.3 -42.1 14.8 -23.7 7.2 266 109 B N H X S+ 0 0 70 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.840 110.9 49.9 -64.4 -32.4 17.8 -24.1 9.5 267 110 B R H X S+ 0 0 69 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.861 105.1 56.1 -70.8 -42.2 16.0 -21.7 11.9 268 111 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.951 111.0 44.9 -54.2 -46.3 12.8 -23.7 11.8 269 112 B L H X S+ 0 0 34 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.834 108.5 57.9 -64.1 -35.9 14.8 -26.8 12.8 270 113 B H H X S+ 0 0 99 -4,-1.2 4,-1.1 -5,-0.2 3,-0.3 0.957 108.6 45.0 -61.1 -49.4 16.5 -24.7 15.4 271 114 B I H >X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 3,-0.6 0.907 110.0 55.3 -57.4 -45.8 13.1 -23.9 16.9 272 115 B I H 3< S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 108.6 48.2 -57.5 -35.7 12.0 -27.5 16.7 273 116 B N H 3< S+ 0 0 136 -4,-2.0 -1,-0.2 -3,-0.3 4,-0.2 0.708 119.5 38.0 -79.7 -21.1 15.1 -28.6 18.7 274 117 B L H << S+ 0 0 75 -4,-1.1 4,-0.4 -3,-0.6 -2,-0.2 0.475 95.8 84.7-103.2 -12.1 14.5 -26.0 21.4 275 118 B Y S >X S+ 0 0 72 -4,-1.6 3,-1.9 1,-0.2 4,-1.0 0.945 78.7 61.7 -64.6 -49.7 10.7 -26.1 21.5 276 119 B P G >4 S+ 0 0 77 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.867 113.8 33.6 -41.3 -57.4 10.3 -29.1 23.9 277 120 B Q G 34 S+ 0 0 146 1,-0.2 7,-0.2 -4,-0.2 -2,-0.2 0.443 111.7 66.9 -81.6 -0.9 12.0 -27.4 26.9 278 121 B A G X4 S+ 0 0 2 -3,-1.9 3,-0.6 -4,-0.4 -1,-0.2 0.635 78.6 81.9 -94.3 -14.7 10.7 -24.0 25.9 279 122 B Q T << S+ 0 0 32 -4,-1.0 -84,-0.3 -3,-0.8 -1,-0.1 0.884 106.5 19.6 -62.3 -46.0 7.0 -24.7 26.5 280 123 B K T 3 S+ 0 0 127 -4,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.106 105.8 86.7-117.1 21.8 6.9 -24.1 30.3 281 124 B N <> - 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0 0 114 -2,-0.3 3,-1.9 1,-0.1 -2,-0.1 -0.628 39.6-113.3 -77.4 148.8 13.4 -6.5 2.8 302 145 B A T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.395 114.6 61.5 -65.7 8.2 16.1 -4.7 4.8 303 146 B D T 3 S+ 0 0 119 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.342 87.1 87.6-117.5 3.4 13.9 -1.6 4.6 304 147 B E S < S- 0 0 68 -3,-1.9 -4,-0.1 1,-0.1 2,-0.0 -0.541 90.8 -80.2 -97.7 165.2 10.8 -2.8 6.4 305 148 B L - 0 0 155 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.366 49.7-124.1 -58.8 143.5 9.9 -2.8 10.1 306 149 B K - 0 0 156 1,-0.1 -1,-0.1 -3,-0.1 -12,-0.1 -0.782 29.1 -98.2 -98.2 138.8 11.5 -5.7 11.9 307 150 B S - 0 0 26 -2,-0.4 -1,-0.1 -14,-0.3 -14,-0.1 -0.009 33.8-174.3 -52.2 157.4 9.4 -8.2 13.9 308 151 B T > + 0 0 43 2,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.088 39.2 126.8-152.3 37.2 9.1 -7.6 17.6 309 152 B N H > S+ 0 0 15 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.860 81.1 56.0 -66.1 -32.9 7.2 -10.5 19.2 310 153 B Y H > S+ 0 0 63 -21,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.917 112.8 38.5 -65.8 -46.1 10.2 -10.9 21.6 311 154 B D H > S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.937 117.1 50.5 -69.7 -45.1 10.0 -7.3 22.8 312 155 B R H X S+ 0 0 135 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.675 115.6 43.9 -69.0 -17.6 6.2 -7.3 22.8 313 156 B L H X S+ 0 0 3 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.696 103.8 59.5 -99.6 -22.3 6.1 -10.5 24.8 314 157 B L H X S+ 0 0 44 -4,-1.5 4,-3.4 -3,-0.2 5,-0.2 0.859 108.7 49.4 -71.5 -34.2 8.8 -9.7 27.4 315 158 B E H X S+ 0 0 109 -4,-1.4 4,-3.2 2,-0.2 -2,-0.2 0.956 110.6 46.7 -65.0 -53.4 6.7 -6.8 28.4 316 159 B E H < S+ 0 0 83 -4,-0.8 -2,-0.2 1,-0.2 6,-0.2 0.896 115.3 51.1 -56.3 -38.8 3.5 -8.9 28.7 317 160 B F H ><>S+ 0 0 5 -4,-2.2 3,-0.9 1,-0.1 6,-0.6 0.988 113.9 39.8 -57.7 -64.4 5.7 -11.3 30.6 318 161 B L H ><5S+ 0 0 80 -4,-3.4 3,-1.6 1,-0.3 2,-1.5 0.922 111.5 57.1 -55.0 -49.5 7.1 -8.8 33.1 319 162 B K T 3<5S+ 0 0 182 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.1 -0.072 112.6 44.7 -74.7 38.8 3.8 -6.9 33.5 320 163 B A T < 5S- 0 0 59 -2,-1.5 -1,-0.3 -3,-0.9 -2,-0.2 0.325 113.3-105.1-162.1 -4.0 2.3 -10.2 34.6 321 164 B G T < 5S+ 0 0 62 -3,-1.6 -3,-0.1 -4,-0.3 -4,-0.1 -0.107 87.4 113.3 100.8 -36.9 4.7 -11.9 37.0 322 165 B K < 0 0 82 -5,-0.5 -4,-0.2 -6,-0.2 -5,-0.1 0.670 360.0 360.0 -45.9 -21.0 6.2 -14.6 34.9 323 166 B I 0 0 117 -6,-0.6 -5,-0.2 -5,-0.2 -1,-0.1 0.056 360.0 360.0-163.0 360.0 9.5 -12.6 35.2