==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-SEP-02 1MQV . COMPND 2 MOLECULE: CYTOCHROME C'; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR J.C.LEE,K.C.ENGMAN,F.A.TEZCAN,H.B.GRAY,J.R.WINKLER . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 76.8 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 . 4 1.6 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 . 0 0.0 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 . 1 0.4 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 0 0 0 0 1 0 0 2 0 0 0 2 1 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A A 0 0 120 0, 0.0 2,-0.2 0, 0.0 207,-0.0 0.000 360.0 360.0 360.0 158.0 12.7 -13.0 42.6 2 2 A T - 0 0 102 0, 0.0 2,-2.6 0, 0.0 3,-0.2 -0.789 360.0 -52.7-142.7-175.7 11.0 -14.2 39.4 3 3 A D > + 0 0 87 -2,-0.2 4,-2.0 1,-0.2 3,-0.2 -0.366 58.5 160.4 -68.4 73.0 11.6 -14.2 35.6 4 4 A V H > S+ 0 0 24 -2,-2.6 4,-2.8 1,-0.2 5,-0.2 0.747 71.4 62.9 -64.8 -25.3 12.2 -10.5 35.2 5 5 A I H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 106.3 44.0 -68.4 -39.0 13.9 -11.3 31.9 6 6 A A H > S+ 0 0 48 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.912 114.2 51.0 -70.9 -36.7 10.6 -12.6 30.6 7 7 A Q H X S+ 0 0 79 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.940 112.1 44.3 -63.8 -48.4 8.7 -9.7 32.1 8 8 A R H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.868 110.7 53.7 -68.9 -34.5 10.9 -7.0 30.6 9 9 A K H X S+ 0 0 102 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.869 107.9 52.0 -67.6 -32.0 11.0 -8.6 27.2 10 10 A A H X S+ 0 0 49 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.910 111.8 45.5 -68.4 -41.5 7.2 -8.7 27.1 11 11 A I H X S+ 0 0 20 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.908 114.1 47.9 -69.0 -41.1 7.0 -5.0 28.0 12 12 A L H X S+ 0 0 57 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.845 108.2 55.6 -70.3 -30.5 9.7 -4.0 25.4 13 13 A K H X S+ 0 0 133 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.930 107.9 49.0 -64.7 -42.4 7.9 -6.2 22.8 14 14 A Q H X S+ 0 0 89 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.900 108.5 53.4 -61.1 -41.3 4.8 -4.1 23.5 15 15 A M H X S+ 0 0 23 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.942 108.4 50.3 -60.4 -44.5 6.9 -0.9 23.1 16 16 A G H >X S+ 0 0 35 -4,-2.5 3,-0.9 1,-0.2 4,-0.8 0.934 110.5 49.1 -57.2 -48.1 8.0 -2.2 19.7 17 17 A E H >< S+ 0 0 85 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.861 104.0 60.3 -61.1 -35.4 4.4 -2.8 18.7 18 18 A A H 3X S+ 0 0 13 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.789 102.1 53.7 -64.6 -25.4 3.3 0.7 19.8 19 19 A T H S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.854 114.1 52.9 -64.0 -32.1 1.2 2.4 13.7 22 22 A I H X S+ 0 0 0 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.952 109.1 47.9 -66.6 -45.4 3.4 5.5 14.0 23 23 A A H X S+ 0 0 40 -4,-2.7 4,-2.1 1,-0.2 6,-0.2 0.896 109.7 54.7 -61.0 -38.3 5.8 4.2 11.5 24 24 A A H X>S+ 0 0 25 -4,-2.4 5,-2.1 -5,-0.2 6,-1.0 0.890 109.3 46.6 -64.2 -37.5 2.9 3.3 9.2 25 25 A M H ><5S+ 0 0 6 -4,-1.9 3,-1.2 4,-0.2 -2,-0.2 0.944 110.4 52.1 -68.6 -44.5 1.7 6.9 9.3 26 26 A L H 3<5S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 110.2 50.4 -60.7 -34.5 5.1 8.3 8.7 27 27 A K H 3<5S- 0 0 139 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.643 113.3-119.9 -76.2 -14.5 5.4 6.0 5.7 28 28 A G T <<5S+ 0 0 62 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.618 85.4 114.2 83.7 12.7 2.0 7.2 4.3 29 29 A E S - 0 0 73 1,-0.1 4,-1.8 -3,-0.1 5,-0.2 -0.847 17.0-161.1-148.9 103.9 -5.3 9.0 13.7 34 34 A Q H > S+ 0 0 85 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.881 91.5 53.0 -57.9 -39.0 -4.7 11.2 16.7 35 35 A A H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 107.4 50.5 -63.3 -44.0 -6.2 8.6 19.1 36 36 A V H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 112.1 48.2 -61.4 -41.0 -3.9 5.9 17.9 37 37 A V H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.931 111.4 49.0 -66.8 -44.1 -0.8 8.1 18.3 38 38 A Q H X S+ 0 0 62 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.891 110.6 52.1 -60.9 -40.0 -1.9 9.2 21.8 39 39 A K H X S+ 0 0 160 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.928 111.4 46.2 -63.0 -44.9 -2.4 5.5 22.7 40 40 A S H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.901 113.0 48.6 -64.9 -43.5 1.1 4.6 21.4 41 41 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.896 110.3 51.5 -66.6 -36.1 2.8 7.5 23.2 42 42 A A H X S+ 0 0 29 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.921 110.6 49.0 -66.5 -39.6 1.0 6.7 26.5 43 43 A A H X S+ 0 0 31 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.933 110.3 50.3 -65.1 -45.3 2.2 3.0 26.2 44 44 A I H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.939 113.6 46.4 -57.8 -45.9 5.8 4.0 25.5 45 45 A A H X S+ 0 0 2 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.929 114.7 45.5 -64.8 -46.5 5.7 6.4 28.6 46 46 A D H >X S+ 0 0 82 -4,-2.9 4,-1.0 2,-0.2 3,-0.6 0.896 113.0 50.1 -62.5 -42.1 4.1 3.8 30.9 47 47 A D H >X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.2 3,-0.6 0.906 107.8 54.7 -64.0 -39.0 6.5 1.0 29.8 48 48 A S H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.701 106.1 51.7 -69.1 -18.9 9.4 3.3 30.3 49 49 A K H << S+ 0 0 108 -4,-0.8 -1,-0.2 -3,-0.6 128,-0.2 0.697 113.6 44.6 -88.6 -18.6 8.3 3.9 33.9 50 50 A K H X< S+ 0 0 118 -4,-1.0 3,-1.5 -3,-0.6 -2,-0.2 0.844 99.2 69.5 -90.3 -37.3 8.0 0.2 34.6 51 51 A L G >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 -2,-0.1 0.767 82.7 70.4 -56.2 -32.7 11.3 -1.0 33.0 52 52 A P G 3 S+ 0 0 2 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.743 97.4 53.8 -58.1 -24.0 13.7 0.6 35.6 53 53 A A G < S+ 0 0 24 -3,-1.5 -2,-0.2 120,-0.2 -3,-0.1 0.445 99.2 65.6 -91.2 3.1 12.6 -2.0 38.1 54 54 A L S < S+ 0 0 17 -3,-2.2 -46,-0.2 -4,-0.2 -1,-0.2 0.154 77.0 78.5-113.8 19.2 13.3 -5.0 35.9 55 55 A F + 0 0 10 -3,-0.5 -1,-0.2 -4,-0.1 2,-0.2 -0.544 57.3 171.5-124.2 68.8 17.1 -5.1 35.3 56 56 A P > - 0 0 12 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.488 41.3-125.0 -78.3 147.0 18.7 -6.6 38.5 57 57 A A G > S+ 0 0 26 1,-0.3 3,-2.1 143,-0.2 4,-0.2 0.821 107.8 68.5 -59.7 -28.4 22.4 -7.5 38.6 58 58 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.479 96.5 55.8 -72.2 4.5 21.4 -11.1 39.7 59 59 A S G X S+ 0 0 8 -3,-1.9 3,-1.6 1,-0.1 -1,-0.3 0.284 74.3 99.4-114.0 9.7 20.0 -11.6 36.2 60 60 A K T < S+ 0 0 115 -3,-2.1 3,-0.2 1,-0.3 -2,-0.1 0.722 88.3 45.5 -69.0 -16.4 23.2 -10.6 34.4 61 61 A T T 3 S+ 0 0 125 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.172 80.5 128.4-113.5 35.7 23.9 -14.4 33.9 62 62 A G < - 0 0 38 -3,-1.6 -1,-0.1 1,-0.1 2,-0.1 0.781 55.5-145.3 -64.7 -34.9 20.3 -15.0 32.8 63 63 A G S S+ 0 0 79 -3,-0.2 -1,-0.1 -4,-0.1 -3,-0.0 -0.128 82.8 58.2 96.0 -39.6 20.8 -16.9 29.5 64 64 A D S S+ 0 0 81 -2,-0.1 2,-0.3 2,-0.0 -1,-0.0 -0.208 84.9 99.7-119.1 48.9 17.9 -15.7 27.4 65 65 A T - 0 0 43 2,-0.1 -2,-0.1 -5,-0.1 -59,-0.0 -0.959 56.1-154.6-134.8 150.9 18.5 -12.0 27.3 66 66 A A + 0 0 41 -2,-0.3 56,-2.5 2,-0.1 2,-0.3 0.320 59.8 121.6-102.1 5.3 20.0 -9.4 25.0 67 67 A A B -A 121 0A 25 54,-0.2 54,-0.2 1,-0.1 -2,-0.1 -0.542 61.5-131.2 -68.2 131.5 20.8 -7.0 27.8 68 68 A L > - 0 0 55 52,-2.5 3,-1.8 -2,-0.3 4,-0.3 -0.548 12.0-122.8 -85.7 149.1 24.5 -6.3 27.9 69 69 A P G > S+ 0 0 87 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.790 103.3 81.4 -60.0 -23.0 26.6 -6.5 31.1 70 70 A K G >> S+ 0 0 92 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.788 75.4 75.8 -51.5 -30.1 27.6 -2.9 30.5 71 71 A I G X4 S+ 0 0 1 -3,-1.8 3,-1.2 1,-0.3 -1,-0.3 0.891 92.0 50.9 -49.8 -44.7 24.2 -1.9 32.0 72 72 A F G <4 S+ 0 0 30 -3,-1.8 -1,-0.3 -4,-0.3 3,-0.2 0.572 106.7 53.6 -77.3 -4.9 25.5 -2.7 35.5 73 73 A E G <4 S+ 0 0 171 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.408 123.6 26.9-102.9 -4.1 28.6 -0.6 35.1 74 74 A D S + 0 0 7 -3,-0.2 4,-3.0 1,-0.2 5,-0.2 0.840 69.2 55.1 -62.2 -38.2 23.2 1.8 35.8 76 76 A A H > S+ 0 0 15 120,-0.3 4,-2.3 1,-0.2 105,-0.3 0.921 111.4 45.9 -61.4 -43.7 22.4 5.4 36.6 77 77 A K H > S+ 0 0 83 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.916 113.4 49.1 -63.1 -44.1 22.8 6.3 33.0 78 78 A F H >X S+ 0 0 5 -4,-2.3 4,-1.2 -7,-0.3 3,-0.8 0.956 112.6 47.4 -61.5 -51.0 20.8 3.3 31.8 79 79 A D H 3X S+ 0 0 4 -4,-3.0 4,-1.6 1,-0.2 3,-0.4 0.889 111.4 51.8 -56.1 -44.1 17.9 4.1 34.3 80 80 A D H 3X S+ 0 0 34 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.746 100.5 61.0 -68.3 -22.2 17.9 7.8 33.3 81 81 A L H X S+ 0 0 57 -4,-2.2 4,-2.1 1,-0.2 3,-1.0 0.896 107.2 59.3 -68.6 -35.4 5.8 15.7 26.2 92 92 A A H 3X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.3 -1,-0.2 0.768 93.5 64.6 -65.5 -22.1 4.9 14.4 22.8 93 93 A Q H 3< S+ 0 0 58 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.856 111.5 38.7 -68.4 -29.3 1.3 13.7 23.9 94 94 A G H << S+ 0 0 60 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.824 122.5 40.5 -87.7 -32.1 1.1 17.4 24.3 95 95 A T H < S+ 0 0 63 -4,-2.1 2,-1.0 1,-0.1 -2,-0.2 0.727 99.3 73.8 -91.1 -23.2 3.1 18.4 21.2 96 96 A I < + 0 0 1 -4,-2.8 -1,-0.1 -5,-0.2 3,-0.1 -0.768 49.1 138.9 -96.6 102.0 1.8 15.9 18.7 97 97 A K + 0 0 131 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.465 66.5 11.1-120.2 -7.1 -1.7 17.1 17.7 98 98 A D S > S- 0 0 68 -65,-0.1 4,-2.0 -64,-0.1 -1,-0.2 -0.931 88.5 -84.7-159.0 177.1 -1.8 16.6 13.9 99 99 A E H > S+ 0 0 67 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.862 123.4 54.8 -62.4 -38.0 0.2 14.9 11.1 100 100 A A H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 110.5 44.2 -62.3 -44.4 2.4 17.9 10.7 101 101 A S H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.790 109.0 57.9 -72.3 -30.6 3.5 17.9 14.4 102 102 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.959 110.0 44.9 -59.7 -48.7 3.9 14.1 14.3 103 103 A K H < S+ 0 0 125 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.880 119.0 41.9 -63.8 -34.4 6.4 14.6 11.4 104 104 A A H < S+ 0 0 78 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.892 126.5 28.6 -81.0 -33.5 8.2 17.4 13.2 105 105 A N H >X S+ 0 0 68 -4,-2.7 3,-0.8 1,-0.1 4,-0.6 0.616 93.1 82.0-106.6 -13.0 8.3 16.0 16.7 106 106 A I H >X S+ 0 0 9 -4,-2.1 4,-2.2 -5,-0.3 3,-1.0 0.820 81.1 70.4 -67.7 -30.4 8.3 12.2 16.7 107 107 A G H 3> S+ 0 0 48 -4,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.858 91.5 58.9 -54.2 -38.4 12.1 12.0 16.1 108 108 A G H <4 S+ 0 0 56 -3,-0.8 4,-0.3 2,-0.2 -1,-0.3 0.836 111.2 42.6 -61.0 -31.4 12.8 13.2 19.7 109 109 A V H X< S+ 0 0 3 -3,-1.0 3,-1.5 -4,-0.6 4,-0.3 0.974 116.4 43.3 -76.2 -60.4 10.9 10.3 21.0 110 110 A L H >X S+ 0 0 52 -4,-2.2 3,-1.1 1,-0.3 4,-0.9 0.686 98.5 72.1 -62.7 -23.6 12.1 7.5 18.8 111 111 A G H 3X S+ 0 0 38 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.3 0.784 87.3 66.5 -65.4 -21.6 15.8 8.5 18.9 112 112 A N H <> S+ 0 0 7 -3,-1.5 4,-1.6 -4,-0.3 5,-0.3 0.798 91.6 62.9 -67.7 -29.4 15.9 7.3 22.5 113 113 A C H <> S+ 0 0 43 -3,-1.1 4,-2.5 -4,-0.3 3,-0.5 0.987 109.1 37.7 -61.5 -58.3 15.4 3.7 21.3 114 114 A K H X S+ 0 0 131 -4,-0.9 4,-3.2 1,-0.2 5,-0.2 0.869 110.1 63.0 -59.5 -39.4 18.6 3.5 19.3 115 115 A S H X S+ 0 0 60 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.886 112.0 35.7 -55.5 -39.7 20.6 5.6 21.9 116 116 A C H >X S+ 0 0 19 -4,-1.6 4,-2.9 -3,-0.5 3,-1.2 0.914 114.7 56.0 -82.0 -43.5 20.1 2.9 24.5 117 117 A H H 3X S+ 0 0 65 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.909 100.5 59.5 -56.5 -40.4 20.3 -0.0 22.1 118 118 A D H 3< S+ 0 0 63 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.798 119.4 27.3 -61.8 -25.8 23.7 1.0 20.9 119 119 A D H << S+ 0 0 59 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.755 133.9 24.8-102.8 -28.2 25.2 0.8 24.4 120 120 A F H < S+ 0 0 5 -4,-2.9 -52,-2.5 -50,-0.1 2,-0.4 0.378 101.9 74.5-125.8 4.6 23.1 -1.7 26.2 121 121 A R B < S-A 67 0A 128 -4,-1.8 -54,-0.2 -5,-0.3 2,-0.0 -0.953 79.0-109.5-122.8 138.4 21.5 -4.2 23.8 122 122 A A 0 0 51 -56,-2.5 -2,-0.1 -2,-0.4 -56,-0.1 -0.375 360.0 360.0 -64.2 146.0 23.1 -7.0 21.9 123 123 A K 0 0 212 -5,-0.1 -1,-0.1 -2,-0.0 -5,-0.0 0.824 360.0 360.0-103.2 360.0 23.4 -6.5 18.1 124 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 125 1 B A 0 0 158 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.8 3.3 17.4 36.6 126 2 B T - 0 0 95 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.510 360.0 -94.8 -84.0 147.5 5.1 17.1 40.0 127 3 B D > - 0 0 83 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 0.021 30.0-115.1 -51.4 154.0 8.8 16.8 40.5 128 4 B V H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 115.8 54.2 -63.4 -38.6 10.5 13.4 41.0 129 5 B I H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.927 111.2 43.9 -61.0 -45.2 11.5 14.3 44.6 130 6 B A H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 113.6 51.8 -67.6 -41.1 8.0 15.1 45.5 131 7 B Q H X S+ 0 0 79 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.933 113.2 43.4 -59.9 -47.3 6.7 12.0 43.7 132 8 B R H X S+ 0 0 3 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.858 111.7 52.3 -71.6 -34.4 9.1 9.7 45.5 133 9 B K H X S+ 0 0 77 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.910 107.6 54.0 -67.6 -34.8 8.6 11.2 48.9 134 10 B A H X S+ 0 0 62 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.904 113.7 41.7 -62.1 -41.1 4.9 10.8 48.5 135 11 B I H X S+ 0 0 13 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.903 115.2 48.9 -73.2 -43.8 5.4 7.1 47.7 136 12 B L H X S+ 0 0 55 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.896 108.8 54.2 -65.2 -37.3 8.0 6.6 50.5 137 13 B K H X S+ 0 0 147 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.925 108.3 49.7 -62.2 -38.9 5.7 8.3 52.9 138 14 B Q H X S+ 0 0 77 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.864 107.2 55.5 -65.7 -36.3 2.9 5.9 52.0 139 15 B M H X S+ 0 0 20 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.884 107.2 49.7 -64.1 -39.8 5.4 3.0 52.5 140 16 B G H X S+ 0 0 41 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.874 110.2 50.1 -66.8 -35.6 6.1 4.2 56.0 141 17 B E H < S+ 0 0 104 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.852 108.0 53.6 -70.4 -33.4 2.3 4.4 56.7 142 18 B A H X S+ 0 0 12 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.869 107.7 52.2 -68.1 -31.6 1.8 0.9 55.5 143 19 B T H >X S+ 0 0 31 -4,-1.5 4,-2.5 1,-0.2 3,-0.5 0.816 90.9 77.1 -76.2 -27.5 4.5 -0.3 57.9 144 20 B K H 3X S+ 0 0 150 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.904 93.4 47.6 -52.4 -50.5 3.0 1.3 61.0 145 21 B P H 3> S+ 0 0 42 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.852 112.0 51.6 -61.4 -31.1 0.3 -1.3 61.6 146 22 B I H S+ 0 0 18 -4,-2.4 5,-1.9 -5,-0.3 6,-1.4 0.869 107.2 49.6 -65.3 -34.6 2.2 -2.2 66.1 149 25 B M H ><5S+ 0 0 13 -4,-1.6 3,-1.3 4,-0.2 -1,-0.2 0.908 108.7 52.7 -69.0 -41.7 1.3 -6.0 65.8 150 26 B L H 3<5S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.849 111.0 46.4 -62.5 -35.8 4.9 -7.0 66.4 151 27 B K T 3<5S- 0 0 145 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.372 114.2-118.6 -87.8 3.7 5.1 -4.9 69.6 152 28 B G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.580 83.1 119.4 71.0 10.4 1.7 -6.3 70.7 153 29 B E S - 0 0 71 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.823 21.5-162.9-155.2 106.4 -5.0 -8.9 61.4 158 34 B Q H > S+ 0 0 75 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.892 93.0 52.9 -55.8 -45.9 -4.4 -10.8 58.2 159 35 B A H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 110.7 47.1 -61.4 -42.3 -6.3 -8.4 56.0 160 36 B V H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 113.5 47.1 -66.0 -46.1 -4.3 -5.4 57.3 161 37 B V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.897 111.7 51.2 -62.5 -39.4 -0.9 -7.0 57.0 162 38 B Q H X S+ 0 0 44 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.891 110.2 49.5 -67.1 -36.1 -1.8 -8.2 53.4 163 39 B K H X S+ 0 0 165 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.912 111.9 48.1 -68.1 -41.3 -2.8 -4.7 52.4 164 40 B S H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.913 111.5 50.1 -64.3 -42.7 0.4 -3.2 53.9 165 41 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 109.4 50.9 -65.4 -37.3 2.5 -5.8 52.1 166 42 B A H X S+ 0 0 40 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 110.3 49.6 -66.7 -37.7 0.8 -5.1 48.7 167 43 B A H X S+ 0 0 21 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.900 111.0 49.2 -65.6 -42.8 1.4 -1.4 49.1 168 44 B I H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 112.2 48.5 -63.8 -42.5 5.0 -2.0 49.9 169 45 B A H X S+ 0 0 4 -4,-2.4 4,-0.8 -5,-0.2 -2,-0.2 0.955 114.3 45.1 -65.8 -44.5 5.4 -4.3 46.9 170 46 B D H >X S+ 0 0 92 -4,-2.6 4,-1.0 1,-0.2 3,-0.8 0.919 113.2 49.6 -64.2 -44.6 3.7 -1.8 44.5 171 47 B D H 3X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 3,-0.4 0.859 107.7 54.9 -60.7 -40.0 5.6 1.2 45.8 172 48 B S H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.667 105.4 52.4 -68.6 -19.4 8.9 -0.6 45.5 173 49 B K H << S+ 0 0 108 -4,-0.8 -1,-0.2 -3,-0.8 -120,-0.2 0.687 114.0 44.4 -86.8 -20.1 8.2 -1.4 41.8 174 50 B K H >< S+ 0 0 105 -4,-1.0 3,-1.5 -3,-0.4 -2,-0.2 0.848 99.7 67.5 -88.7 -40.9 7.5 2.4 41.1 175 51 B L G >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.2 -3,-0.1 0.776 82.7 73.3 -54.8 -33.1 10.4 4.0 43.1 176 52 B P G 3 S+ 0 0 2 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.755 95.2 52.7 -56.7 -23.9 13.2 2.7 40.8 177 53 B A G < S+ 0 0 23 -3,-1.5 -2,-0.2 -128,-0.2 -3,-0.1 0.443 98.9 68.4 -91.9 4.8 12.3 5.2 38.0 178 54 B L S < S+ 0 0 17 -3,-2.3 -46,-0.2 1,-0.2 -1,-0.2 0.122 75.2 77.9-114.7 22.5 12.4 8.2 40.4 179 55 B F + 0 0 10 -3,-0.5 -1,-0.2 -4,-0.1 -99,-0.1 -0.603 59.5 179.2-129.0 67.3 16.0 8.7 41.3 180 56 B P > - 0 0 12 0, 0.0 3,-1.3 0, 0.0 16,-0.1 -0.393 35.5-127.0 -71.3 149.0 17.7 10.5 38.3 181 57 B A T 3 S+ 0 0 32 -105,-0.3 3,-0.4 1,-0.3 15,-0.1 0.757 104.9 69.5 -67.1 -25.2 21.4 11.4 38.6 182 58 B D T 3 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.288 89.0 66.5 -78.0 12.9 20.6 15.0 37.6 183 59 B S < + 0 0 12 -3,-1.3 -1,-0.2 1,-0.1 3,-0.2 -0.412 51.7 136.0-129.0 53.8 18.9 15.5 40.9 184 60 B K S S+ 0 0 87 -3,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.760 86.3 14.2 -67.3 -27.6 21.9 15.2 43.2 185 61 B T S S+ 0 0 123 -3,-0.2 -1,-0.3 7,-0.0 4,-0.1 -0.971 78.2 139.5-151.6 132.1 20.4 18.3 44.9 186 62 B G - 0 0 48 2,-0.5 -2,-0.0 -2,-0.3 -3,-0.0 -0.145 67.8 -53.0-138.7-125.7 16.9 19.8 44.7 187 63 B G S S- 0 0 84 -2,-0.1 2,-0.0 0, 0.0 0, 0.0 0.822 118.5 -4.0 -94.8 -43.0 14.3 21.3 47.0 188 64 B D S S+ 0 0 90 -3,-0.0 -2,-0.5 0, 0.0 -58,-0.0 0.305 75.1 137.2-111.6-120.3 14.2 18.5 49.5 189 65 B T - 0 0 30 -4,-0.1 -3,-0.1 -60,-0.1 -59,-0.0 0.896 31.3-170.5 59.8 120.3 15.9 15.1 49.4 190 66 B A + 0 0 39 56,-0.1 56,-3.4 2,-0.1 2,-0.4 0.065 58.2 125.6-106.3 7.3 17.7 13.1 52.1 191 67 B A B -B 245 0B 17 54,-0.2 54,-0.2 1,-0.1 53,-0.0 -0.598 60.3-131.9 -71.0 126.7 18.7 11.0 49.1 192 68 B L > - 0 0 41 52,-2.7 3,-1.8 -2,-0.4 4,-0.3 -0.550 11.0-122.1 -88.0 151.6 22.5 10.7 49.2 193 69 B P G > S+ 0 0 69 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.797 105.4 75.9 -55.7 -29.9 25.0 11.3 46.3 194 70 B K G >> S+ 0 0 94 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.684 77.2 76.3 -55.0 -24.3 26.3 7.7 46.9 195 71 B I G X4 S+ 0 0 2 -3,-1.8 3,-0.9 1,-0.3 7,-0.3 0.896 93.6 50.1 -56.7 -40.7 23.1 6.3 45.2 196 72 B F G <4 S+ 0 0 24 -3,-1.5 -120,-0.3 -4,-0.3 -1,-0.3 0.589 106.4 54.6 -79.8 -7.2 24.5 7.3 41.8 197 73 B E G <4 S+ 0 0 149 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.487 124.2 25.5 -97.8 -10.0 27.9 5.6 42.5 198 74 B D S S+ 0 0 6 -3,-0.2 4,-3.5 1,-0.2 5,-0.3 0.828 71.0 55.2 -58.2 -39.7 22.8 2.5 41.4 200 76 B A H > S+ 0 0 16 -128,-0.2 4,-2.5 1,-0.2 -143,-0.2 0.929 111.1 46.0 -61.6 -43.8 22.5 -1.2 40.6 201 77 B K H > S+ 0 0 102 2,-0.2 4,-1.1 -3,-0.2 -2,-0.2 0.915 115.4 46.8 -63.0 -43.2 22.8 -2.0 44.3 202 78 B F H >X S+ 0 0 5 -4,-2.1 4,-1.4 -7,-0.3 3,-0.8 0.959 113.8 46.9 -62.9 -52.1 20.3 0.7 45.2 203 79 B D H 3X S+ 0 0 5 -4,-3.5 4,-1.6 1,-0.3 3,-0.3 0.899 109.8 54.9 -59.0 -41.4 17.8 -0.4 42.5 204 80 B D H 3X S+ 0 0 28 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.3 0.761 99.0 61.3 -68.2 -22.5 18.2 -4.0 43.5 205 81 B L H < S+ 0 0 47 -4,-2.4 3,-1.5 -5,-0.2 4,-0.3 0.927 110.5 47.5 -71.6 -47.2 5.2 -10.3 47.4 215 91 B A H >X S+ 0 0 64 -4,-2.6 3,-2.1 1,-0.3 4,-1.4 0.859 100.8 69.0 -62.6 -32.1 6.4 -13.7 48.6 216 92 B A H 3X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.671 79.3 79.7 -60.9 -15.8 5.1 -12.8 52.1 217 93 B Q H <4 S+ 0 0 108 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.788 106.5 29.0 -60.6 -28.5 1.5 -13.0 50.7 218 94 B G H <4 S+ 0 0 44 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.778 124.1 45.0-102.3 -33.8 1.8 -16.7 51.1 219 95 B T H < S+ 0 0 68 -4,-1.4 2,-1.0 1,-0.1 -3,-0.2 0.816 99.6 68.9 -84.2 -32.3 4.1 -17.1 54.0 220 96 B I < + 0 0 0 -4,-2.2 -1,-0.1 -5,-0.2 3,-0.1 -0.769 55.8 132.1 -91.6 104.0 2.7 -14.5 56.4 221 97 B K + 0 0 134 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.358 65.7 15.7-131.9 0.2 -0.6 -16.0 57.5 222 98 B D S > S- 0 0 75 -3,-0.2 4,-1.9 -65,-0.1 -1,-0.2 -0.934 91.8 -82.9-160.0 174.3 -0.8 -15.7 61.3 223 99 B E H > S+ 0 0 97 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.860 125.5 51.2 -55.0 -40.4 1.0 -13.9 64.1 224 100 B A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 109.7 46.4 -66.4 -42.2 3.8 -16.5 64.2 225 101 B S H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.790 108.4 59.1 -73.4 -23.9 4.6 -16.5 60.5 226 102 B L H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.959 109.6 42.1 -63.6 -51.1 4.5 -12.7 60.7 227 103 B K H < S+ 0 0 118 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.869 115.6 52.0 -64.6 -31.6 7.3 -12.8 63.3 228 104 B A H < S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 124.3 20.8 -73.7 -30.6 9.1 -15.5 61.3 229 105 B N H >< S+ 0 0 63 -4,-1.9 3,-0.6 -3,-0.2 4,-0.3 0.530 94.3 87.9-120.0 -4.1 9.2 -13.8 58.0 230 106 B I T >X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 3,-1.4 0.816 81.8 67.9 -69.5 -25.5 8.7 -10.0 58.4 231 107 B G H 3> S+ 0 0 50 -4,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.851 93.6 55.3 -59.3 -40.5 12.5 -9.6 58.8 232 108 B G H <4 S+ 0 0 55 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.599 116.0 41.4 -68.6 -11.1 13.2 -10.5 55.2 233 109 B V H X4 S+ 0 0 2 -3,-1.4 3,-1.1 -4,-0.3 4,-0.3 0.860 121.0 33.7 -98.8 -63.6 10.8 -7.7 54.2 234 110 B L H >X S+ 0 0 36 -4,-2.6 3,-1.2 1,-0.3 4,-1.1 0.694 101.1 74.8 -72.2 -18.9 11.6 -4.8 56.6 235 111 B G H 3X S+ 0 0 37 -4,-1.8 4,-2.5 -5,-0.4 -1,-0.3 0.829 88.8 64.8 -60.7 -25.6 15.3 -5.4 56.9 236 112 B N H <> S+ 0 0 13 -3,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.834 92.8 59.8 -66.5 -29.4 15.5 -4.0 53.4 237 113 B C H <> S+ 0 0 39 -3,-1.2 4,-2.2 -4,-0.3 -1,-0.2 0.943 110.8 41.3 -64.1 -45.0 14.3 -0.6 54.6 238 114 B K H X S+ 0 0 123 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.882 109.0 57.6 -69.9 -42.3 17.2 -0.3 57.0 239 115 B S H X S+ 0 0 58 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.923 113.4 41.2 -56.3 -42.1 19.8 -1.7 54.6 240 116 B C H X S+ 0 0 16 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.936 112.7 51.3 -73.0 -45.2 19.0 1.1 52.1 241 117 B H H X S+ 0 0 61 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.906 104.0 61.2 -59.5 -39.0 18.6 3.9 54.6 242 118 B D H < S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.915 120.5 20.7 -53.7 -50.8 22.0 3.1 56.1 243 119 B D H < S+ 0 0 72 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.802 134.4 30.9 -91.5 -29.2 23.9 3.7 52.9 244 120 B F H < S+ 0 0 2 -4,-3.2 -52,-2.7 -5,-0.2 2,-0.4 0.466 101.5 70.2-115.0 -1.2 21.7 5.9 50.8 245 121 B R B < S-B 191 0B 121 -4,-1.8 -54,-0.2 -5,-0.4 2,-0.1 -0.946 76.2-113.9-122.8 145.2 19.6 8.1 53.0 246 122 B A 0 0 38 -56,-3.4 -56,-0.1 -2,-0.4 -2,-0.1 -0.426 360.0 360.0 -71.1 141.3 20.5 11.1 55.1 247 123 B K 0 0 216 -2,-0.1 -1,-0.1 -5,-0.1 -5,-0.0 -0.010 360.0 360.0 -80.6 360.0 20.1 10.6 58.9