==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-05 1VRP . COMPND 2 MOLECULE: CREATINE KINASE, M CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR S.D.LAHIRI,P.F.WANG,P.C.BABBITT,M.J.MCLEISH,G.L.KENYON, . 744 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 35 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 5 3 0 2 2 2 2 2 0 0 0 2 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 6 2 0 3 7 2 0 2 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 1 1 0 0 0 1 1 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 12 A L 0 0 158 0, 0.0 4,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 24.9 11.2 60.0 24.0 2 13 A N + 0 0 161 2,-0.1 2,-0.4 0, 0.0 0, 0.0 0.133 360.0 82.1 -86.6 16.7 11.6 63.6 22.7 3 14 A Y S S- 0 0 36 1,-0.0 510,-0.1 2,-0.0 511,-0.1 -0.952 86.1-113.5-123.4 144.1 15.3 63.0 23.5 4 15 A S > - 0 0 51 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.214 26.8-108.1 -73.6 164.9 17.8 61.2 21.4 5 16 A A H > S+ 0 0 9 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.933 123.1 47.9 -56.8 -46.5 19.5 57.9 22.1 6 17 A A H 4 S+ 0 0 60 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.854 108.6 53.7 -63.8 -37.9 22.7 59.8 22.8 7 18 A E H 4 S+ 0 0 103 1,-0.2 -1,-0.2 507,-0.0 -2,-0.2 0.790 116.5 38.8 -67.0 -28.4 21.0 62.3 25.0 8 19 A E H < S+ 0 0 11 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.488 87.2 117.9 -98.5 -8.7 19.6 59.5 27.1 9 20 A F < - 0 0 51 -4,-1.0 16,-0.1 -3,-0.2 -3,-0.0 -0.433 70.0-111.5 -65.0 129.4 22.7 57.2 27.0 10 21 A P - 0 0 3 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.197 19.2-114.9 -64.2 151.3 24.1 56.7 30.6 11 22 A D + 0 0 80 1,-0.1 3,-0.1 563,-0.1 566,-0.1 -0.803 49.5 154.8 -90.6 101.7 27.3 58.1 31.7 12 23 A L > + 0 0 23 -2,-1.0 3,-2.0 1,-0.1 -1,-0.1 0.073 29.7 118.8-113.8 14.4 29.3 54.9 32.4 13 24 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.841 84.6 37.1 -54.0 -37.1 32.8 56.5 31.9 14 25 A K T 3 S+ 0 0 138 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.051 94.4 120.3-105.0 24.8 33.7 55.6 35.5 15 26 A H < - 0 0 32 -3,-2.0 2,-0.4 5,-0.1 39,-0.2 -0.665 44.0-166.3 -96.3 148.8 32.0 52.2 35.7 16 27 A N + 0 0 51 37,-2.8 44,-0.9 -2,-0.3 2,-0.3 -0.895 49.5 108.1-129.0 93.8 33.5 48.8 36.3 17 28 A N B > S-a 60 0A 3 -2,-0.4 4,-1.8 42,-0.2 3,-0.3 -0.922 73.9-116.1-178.4 141.5 30.8 46.3 35.4 18 29 A H H > S+ 0 0 16 42,-2.3 4,-1.7 -2,-0.3 3,-0.4 0.875 115.7 51.3 -49.0 -50.4 29.8 43.8 32.8 19 30 A M H > S+ 0 0 0 42,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.902 112.0 48.7 -55.3 -43.9 26.8 45.8 31.7 20 31 A A H 4 S+ 0 0 22 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.767 109.4 51.9 -68.2 -29.5 29.0 48.8 31.3 21 32 A K H < S+ 0 0 137 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.779 118.1 37.6 -78.7 -25.4 31.6 46.9 29.3 22 33 A A H < S+ 0 0 12 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.880 92.3 91.4 -94.0 -43.3 29.0 45.6 26.9 23 34 A L < + 0 0 11 -4,-2.7 2,-0.3 -5,-0.2 54,-0.1 -0.280 50.0 174.5 -60.3 135.0 26.5 48.4 26.3 24 35 A T > - 0 0 61 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.889 45.9-103.8-135.3 166.3 27.1 50.7 23.4 25 36 A L H > S+ 0 0 63 -2,-0.3 4,-3.2 1,-0.2 5,-0.1 0.860 119.9 54.7 -59.9 -36.6 25.2 53.5 21.8 26 37 A D H > S+ 0 0 120 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.938 109.8 44.5 -63.5 -48.0 24.2 51.3 18.9 27 38 A I H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 115.2 49.5 -63.2 -38.6 22.7 48.7 21.2 28 39 A Y H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.943 110.6 50.6 -65.7 -46.8 21.0 51.4 23.2 29 40 A K H < S+ 0 0 114 -4,-3.2 4,-0.3 1,-0.2 -2,-0.2 0.950 114.6 43.0 -53.7 -53.8 19.7 53.0 20.0 30 41 A K H < S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.798 125.9 30.7 -65.0 -31.1 18.3 49.7 18.8 31 42 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.2 11,-0.5 0.630 87.9 89.5-109.2 -12.5 16.8 48.5 22.1 32 43 A R T 3< S+ 0 0 54 -4,-2.8 11,-0.2 1,-0.3 -1,-0.1 0.666 92.7 50.1 -61.1 -16.2 15.7 51.6 24.2 33 44 A D T 3 S+ 0 0 112 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.548 93.1 96.0 -98.4 -7.7 12.2 51.5 22.6 34 45 A K < - 0 0 72 -3,-1.6 8,-0.4 39,-0.1 2,-0.3 -0.318 49.2-175.0 -80.7 164.1 11.5 47.8 23.2 35 46 A E - 0 0 132 6,-0.1 6,-0.2 -2,-0.1 -2,-0.0 -0.982 22.1-119.8-155.0 153.9 9.6 46.2 26.1 36 47 A T > - 0 0 1 4,-1.7 3,-2.4 -2,-0.3 34,-0.0 -0.361 46.0 -91.1 -88.6 172.8 8.8 42.8 27.3 37 48 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 337,-0.1 0.871 131.2 48.7 -53.5 -35.3 5.2 41.5 27.7 38 49 A S T 3 S- 0 0 11 336,-0.1 336,-0.1 335,-0.1 337,-0.1 0.411 123.7-104.8 -85.5 2.0 5.2 42.8 31.3 39 50 A G < + 0 0 29 -3,-2.4 2,-0.2 1,-0.3 -1,-0.0 0.623 66.0 152.1 88.1 13.9 6.6 46.2 30.2 40 51 A F - 0 0 5 4,-0.1 -4,-1.7 3,-0.0 -1,-0.3 -0.549 24.2-166.6 -78.4 144.4 10.2 45.9 31.3 41 52 A T > - 0 0 36 -6,-0.2 4,-2.5 -2,-0.2 3,-0.2 -0.792 37.1 -98.8-128.6 172.5 12.7 47.9 29.3 42 53 A L H > S+ 0 0 0 -11,-0.5 4,-2.5 -8,-0.4 5,-0.2 0.883 122.5 54.6 -57.2 -41.4 16.4 48.4 28.7 43 54 A D H > S+ 0 0 45 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.908 109.3 48.1 -60.5 -39.9 16.5 51.3 31.1 44 55 A D H 4 S+ 0 0 68 2,-0.2 4,-0.4 1,-0.2 3,-0.2 0.921 111.2 51.7 -64.1 -43.6 15.0 49.1 33.8 45 56 A I H < S+ 0 0 0 -4,-2.5 19,-1.7 1,-0.2 3,-0.3 0.897 118.3 34.4 -61.3 -43.3 17.5 46.3 33.0 46 57 A I H >X S+ 0 0 0 -4,-2.5 4,-1.8 17,-0.2 3,-0.8 0.550 88.0 99.3 -91.6 -8.6 20.6 48.5 33.3 47 58 A Q H 3X S+ 0 0 20 -4,-1.4 4,-2.3 1,-0.3 527,-0.3 0.853 83.6 49.4 -49.0 -44.7 19.5 50.9 36.1 48 59 A T H 3> S+ 0 0 7 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.3 0.883 111.0 51.9 -64.4 -34.1 21.3 49.0 38.8 49 60 A G H <4 S+ 0 0 0 13,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.794 109.3 48.7 -70.7 -29.2 24.4 49.1 36.7 50 61 A V H < S+ 0 0 6 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.899 116.4 42.5 -76.1 -40.8 24.2 52.8 36.1 51 62 A D H < S+ 0 0 34 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.818 114.0 52.6 -73.2 -35.3 23.7 53.5 39.8 52 63 A N < + 0 0 22 -4,-2.3 -1,-0.2 -5,-0.2 -36,-0.1 -0.875 60.8 179.4-110.1 104.3 26.4 51.0 41.1 53 64 A P - 0 0 54 0, 0.0 -37,-2.8 0, 0.0 -1,-0.1 0.667 27.6-157.5 -77.5 -19.2 29.7 51.6 39.4 54 65 A G - 0 0 22 -39,-0.2 -37,-0.1 -3,-0.1 5,-0.1 -0.139 21.4 -72.0 69.0-169.8 31.3 49.0 41.2 55 66 A H - 0 0 128 3,-0.8 3,-0.3 -39,-0.3 5,-0.1 -0.960 29.2-118.5-129.2 147.4 35.0 48.8 41.7 56 67 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -41,-0.0 0.855 112.5 53.2 -48.7 -41.6 37.9 48.1 39.4 57 68 A F S S+ 0 0 194 1,-0.1 2,-0.5 -3,-0.0 -3,-0.0 0.899 112.0 41.9 -64.9 -48.8 38.9 45.0 41.5 58 69 A I S S- 0 0 92 -3,-0.3 -3,-0.8 -42,-0.0 2,-0.6 -0.885 75.2-145.7-105.2 142.2 35.5 43.4 41.5 59 70 A M - 0 0 76 -2,-0.5 -42,-0.2 -5,-0.1 2,-0.2 -0.927 15.0-164.0-105.8 117.6 33.4 43.2 38.5 60 71 A T B -a 17 0A 27 -44,-0.9 -42,-2.3 -2,-0.6 -41,-0.2 -0.543 26.3-121.8 -92.4 163.2 29.7 43.3 39.2 61 72 A V - 0 0 15 -44,-0.2 -42,-2.0 -2,-0.2 -41,-0.1 0.910 29.6-159.9 -73.2 -43.5 27.0 42.3 36.6 62 73 A G + 0 0 9 -44,-0.2 -13,-0.9 -43,-0.1 2,-0.3 0.653 58.2 62.4 74.5 14.8 25.3 45.7 36.5 63 74 A C - 0 0 2 -15,-0.2 2,-0.3 -14,-0.1 -17,-0.2 -0.980 56.6-161.7-164.7 155.9 21.9 44.5 35.1 64 75 A V - 0 0 12 -19,-1.7 2,-0.5 -2,-0.3 208,-0.2 -0.896 24.1-113.0-137.5 169.0 19.0 42.2 35.9 65 76 A A - 0 0 0 206,-2.3 69,-0.2 -2,-0.3 3,-0.1 -0.903 14.5-165.0-105.6 130.1 16.1 40.5 34.1 66 77 A G S S- 0 0 0 -2,-0.5 65,-1.7 1,-0.1 68,-0.3 0.617 74.9 -10.3 -88.2 -13.9 12.5 41.7 35.0 67 78 A D S > S- 0 0 3 63,-0.3 3,-0.7 203,-0.1 4,-0.4 -0.945 83.3 -83.2-166.7 179.1 10.9 38.7 33.4 68 79 A E T > S+ 0 0 51 -2,-0.3 3,-1.1 1,-0.2 4,-0.3 0.901 119.3 58.9 -65.5 -41.6 11.6 35.7 31.3 69 80 A E T >> S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 3,-1.5 0.704 85.2 82.3 -62.2 -21.0 11.4 37.4 27.9 70 81 A C H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.877 85.1 56.6 -52.8 -41.1 14.1 39.9 28.9 71 82 A Y H <4 S+ 0 0 13 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.708 117.0 34.7 -67.1 -19.1 16.9 37.4 27.9 72 83 A E H X4 S+ 0 0 131 -3,-1.5 3,-1.3 -4,-0.3 4,-0.2 0.861 118.3 47.4 -98.1 -49.7 15.5 37.1 24.4 73 84 A V H 3< S+ 0 0 44 -4,-2.8 3,-0.2 1,-0.3 -3,-0.2 0.834 126.1 31.8 -59.1 -35.5 14.2 40.6 23.7 74 85 A F T >X S+ 0 0 0 -4,-2.2 3,-2.6 -5,-0.4 4,-2.1 0.044 76.5 128.1-115.2 25.7 17.5 42.2 25.1 75 86 A K H <> + 0 0 97 -3,-1.3 4,-2.6 1,-0.3 -1,-0.2 0.775 63.2 71.5 -50.4 -31.8 19.8 39.4 24.0 76 87 A D H 34 S+ 0 0 55 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.771 112.5 30.0 -61.3 -22.4 22.0 42.1 22.3 77 88 A L H <> S+ 0 0 0 -3,-2.6 4,-1.4 2,-0.1 -2,-0.2 0.838 122.2 47.2 -99.3 -48.2 23.0 43.2 25.8 78 89 A F H X S+ 0 0 1 -4,-2.1 4,-3.6 -8,-0.2 5,-0.3 0.868 103.8 62.5 -63.2 -38.3 22.7 40.0 27.8 79 90 A D H X S+ 0 0 38 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.933 109.4 36.9 -56.4 -52.7 24.6 37.8 25.4 80 91 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.827 118.1 53.2 -70.4 -28.9 28.0 39.7 25.6 81 92 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.938 112.4 43.9 -67.9 -46.2 27.4 40.2 29.4 82 93 A I H X S+ 0 0 2 -4,-3.6 4,-2.8 2,-0.2 7,-0.4 0.910 112.6 52.1 -65.4 -42.5 26.8 36.5 29.9 83 94 A E H <>S+ 0 0 70 -4,-2.6 5,-3.6 -5,-0.3 6,-0.7 0.953 114.8 42.3 -58.5 -49.7 29.7 35.6 27.8 84 95 A D H ><5S+ 0 0 60 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.889 119.8 42.2 -63.2 -44.7 32.1 37.9 29.7 85 96 A R H 3<5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.793 116.6 47.4 -74.3 -31.9 30.7 37.0 33.1 86 97 A H T 3<5S- 0 0 29 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.334 119.7-101.3 -99.1 12.0 30.5 33.3 32.5 87 98 A G T < 5S- 0 0 75 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.683 87.8 -31.0 84.7 20.2 33.9 32.9 31.0 88 99 A G S - 0 0 116 1,-0.1 3,-2.0 -7,-0.1 -1,-0.1 -0.610 22.0-114.2 -97.3 153.6 28.4 31.7 23.9 91 102 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.783 119.9 50.4 -54.2 -27.5 24.8 32.3 22.8 92 103 A T T 3 S+ 0 0 104 2,-0.1 -3,-0.0 173,-0.0 0, 0.0 0.590 88.1 107.2 -87.8 -11.7 25.0 29.0 21.0 93 104 A D < - 0 0 59 -3,-2.0 2,-0.3 1,-0.1 -4,-0.0 -0.268 61.0-140.1 -66.8 154.9 26.3 27.1 24.0 94 105 A K - 0 0 147 172,-0.1 2,-0.5 238,-0.1 171,-0.2 -0.892 6.3-136.7-116.8 148.3 24.0 24.6 25.8 95 106 A H - 0 0 10 169,-2.4 2,-0.6 -2,-0.3 172,-0.1 -0.908 12.4-141.6-108.5 129.1 23.7 24.1 29.6 96 107 A K - 0 0 109 -2,-0.5 2,-0.5 169,-0.1 239,-0.2 -0.780 10.3-158.7 -94.9 121.6 23.5 20.6 31.1 97 108 A T + 0 0 49 -2,-0.6 2,-0.4 237,-0.2 237,-0.1 -0.855 15.1 172.4 -97.1 126.7 21.2 20.1 34.1 98 109 A D + 0 0 40 -2,-0.5 238,-0.5 1,-0.1 239,-0.1 -0.970 13.6 159.0-137.2 115.5 21.9 17.1 36.2 99 110 A L + 0 0 39 -2,-0.4 2,-0.9 236,-0.1 148,-0.1 0.195 36.5 122.3-118.5 8.1 19.9 16.8 39.5 100 111 A N > - 0 0 71 1,-0.2 3,-1.6 2,-0.1 4,-0.2 -0.664 48.3-162.5 -75.5 106.3 20.5 13.1 39.8 101 112 A Q G > S+ 0 0 52 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.645 81.4 72.3 -68.5 -13.9 22.2 12.9 43.2 102 113 A E G 3 S+ 0 0 149 1,-0.2 -1,-0.3 138,-0.1 -2,-0.1 0.618 83.2 69.7 -78.3 -9.1 23.5 9.5 42.5 103 114 A N G < S+ 0 0 61 -3,-1.6 2,-0.3 2,-0.1 -1,-0.2 0.567 78.5 96.0 -83.2 -8.9 26.0 10.9 40.1 104 115 A L S < S- 0 0 13 -3,-1.1 2,-0.6 -4,-0.2 233,-0.1 -0.649 70.1-142.6 -81.9 137.1 27.9 12.5 42.9 105 116 A K - 0 0 151 -2,-0.3 2,-0.1 2,-0.0 -2,-0.1 -0.899 55.7 -39.1-108.1 118.4 30.9 10.4 44.2 106 117 A G + 0 0 34 -2,-0.6 237,-0.1 1,-0.1 -2,-0.0 -0.409 66.3 141.7 72.0-147.0 31.6 10.4 47.9 107 118 A G + 0 0 0 -2,-0.1 128,-2.8 236,-0.1 129,-2.3 0.633 47.8 99.2 83.8 15.2 31.3 13.6 49.8 108 119 A D S S+ 0 0 72 126,-0.3 125,-0.2 127,-0.2 126,-0.1 0.385 76.0 58.8-110.6 2.2 29.8 12.1 53.0 109 120 A D + 0 0 108 124,-0.1 125,-0.2 2,-0.1 -1,-0.1 0.048 62.9 149.5-120.1 23.1 33.1 12.0 54.9 110 121 A L - 0 0 5 123,-1.1 123,-0.3 -3,-0.2 5,-0.1 -0.421 64.7 -90.9 -59.8 136.4 34.2 15.7 55.0 111 122 A D >> - 0 0 34 1,-0.2 4,-2.5 121,-0.1 3,-1.0 -0.250 32.3-160.1 -53.8 114.6 36.2 16.3 58.2 112 123 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 120,-0.1 0.492 89.7 67.2 -75.4 -6.1 33.7 17.4 60.9 113 124 A N T 34 S+ 0 0 134 1,-0.1 3,-0.1 120,-0.0 -2,-0.1 0.565 119.4 18.9 -87.6 -12.2 36.7 18.8 62.8 114 125 A Y T <4 S+ 0 0 32 -3,-1.0 173,-2.1 1,-0.2 2,-0.8 0.534 118.2 67.5-125.4 -26.3 37.2 21.4 60.1 115 126 A V E < +B 286 0B 0 -4,-2.5 171,-0.2 171,-0.2 -1,-0.2 -0.891 52.3 173.6-108.7 104.0 33.8 21.4 58.3 116 127 A L E + 0 0 40 169,-2.4 116,-2.0 -2,-0.8 2,-0.3 0.746 67.0 3.7 -81.8 -31.6 31.2 22.8 60.6 117 128 A S E -BC 285 231B 15 168,-1.0 168,-1.3 114,-0.3 2,-0.3 -0.976 56.8-151.1-150.4 162.5 28.3 22.9 58.1 118 129 A S E +BC 284 230B 1 112,-2.9 112,-2.0 -2,-0.3 2,-0.3 -0.990 20.9 177.7-133.2 141.0 27.5 21.9 54.5 119 130 A R E -BC 283 229B 47 164,-3.4 164,-3.5 -2,-0.3 2,-0.4 -0.996 18.1-168.6-151.7 141.0 24.9 23.7 52.4 120 131 A V E +BC 282 228B 0 108,-2.3 108,-2.0 -2,-0.3 2,-0.3 -0.990 19.5 174.2-132.4 120.8 23.5 23.6 48.8 121 132 A R E +BC 281 227B 17 160,-1.4 160,-2.3 -2,-0.4 2,-0.3 -0.927 6.2 165.8-130.1 151.4 21.3 26.4 47.6 122 133 A T E - C 0 226B 0 104,-1.7 104,-1.5 -2,-0.3 2,-0.3 -0.944 24.0-127.3-153.7 167.3 19.6 27.3 44.3 123 134 A G E - C 0 225B 0 -2,-0.3 2,-0.3 102,-0.2 102,-0.2 -0.898 17.1-168.3-124.7 154.1 17.0 29.6 42.9 124 135 A 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37.3 -68.9 -28.8 -4.8 41.2 44.8 383 19 B E H < S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.562 87.4 114.7 -96.3 -15.0 -2.7 44.4 44.1 384 20 B F S < S- 0 0 48 -4,-1.6 16,-0.1 -5,-0.2 -5,-0.0 -0.402 71.3-117.3 -62.9 124.1 -3.9 46.5 47.0 385 21 B P - 0 0 2 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.231 16.9-118.0 -63.0 149.0 -1.0 47.1 49.4 386 22 B D + 0 0 76 1,-0.1 3,-0.2 -187,-0.1 -184,-0.1 -0.796 42.8 163.6 -86.8 103.2 -1.1 45.9 52.9 387 23 B L > + 0 0 27 -2,-1.0 3,-1.9 1,-0.2 -1,-0.1 0.092 31.6 122.0-109.3 22.2 -0.9 49.1 54.9 388 24 B S T 3 S+ 0 0 103 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.830 83.0 32.7 -51.2 -42.4 -2.1 47.6 58.1 389 25 B K T 3 S+ 0 0 185 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.066 98.0 119.0-106.5 24.2 1.0 48.6 60.0 390 26 B H < - 0 0 42 -3,-1.9 2,-0.4 5,-0.1 39,-0.1 -0.683 40.3-172.3 -97.6 143.2 1.6 51.9 58.2 391 27 B N + 0 0 100 37,-2.8 2,-0.2 -2,-0.3 44,-0.1 -0.984 43.8 102.7-123.4 124.6 1.6 55.4 59.4 392 28 B N S > S- 0 0 0 -2,-0.4 4,-1.6 1,-0.1 3,-0.3 -0.595 78.2-103.1 170.9 152.6 1.9 58.0 56.6 393 29 B H H > S+ 0 0 14 42,-2.1 4,-1.7 1,-0.2 5,-0.2 0.859 118.2 58.2 -56.0 -37.7 -0.6 60.3 55.0 394 30 B M H > S+ 0 0 0 42,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.928 107.4 47.7 -57.5 -46.8 -0.9 58.1 51.9 395 31 B A H 4 S+ 0 0 21 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.826 107.1 55.0 -66.1 -34.1 -2.0 55.2 54.0 396 32 B K H < S+ 0 0 124 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.878 119.6 33.3 -67.5 -33.6 -4.6 57.1 56.0 397 33 B A H < S+ 0 0 16 -4,-1.7 2,-0.3 -3,-0.2 -2,-0.2 0.820 91.8 96.1 -91.8 -38.3 -6.3 58.2 52.7 398 34 B L < + 0 0 11 -4,-2.9 2,-0.2 -5,-0.2 54,-0.1 -0.409 49.8 178.7 -63.6 118.9 -5.9 55.3 50.2 399 35 B T > - 0 0 63 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.720 42.2-112.4-114.2 169.2 -8.9 53.1 50.1 400 36 B L H > S+ 0 0 78 -2,-0.2 4,-3.7 2,-0.2 5,-0.2 0.908 118.7 55.2 -66.4 -39.3 -9.5 50.0 48.0 401 37 B D H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 110.2 44.6 -58.2 -47.6 -12.3 51.9 46.1 402 38 B I H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 115.1 48.4 -63.9 -43.1 -9.8 54.7 45.3 403 39 B Y H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.950 110.7 51.5 -60.4 -49.9 -7.2 52.1 44.3 404 40 B K H < S+ 0 0 143 -4,-3.7 4,-0.3 1,-0.2 -1,-0.2 0.898 114.1 43.5 -54.2 -44.5 -9.7 50.2 42.1 405 41 B K H < S+ 0 0 126 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.823 123.1 34.0 -75.9 -30.1 -10.7 53.3 40.3 406 42 B L H >< S+ 0 0 8 -4,-2.2 3,-1.9 -5,-0.2 11,-0.5 0.608 90.9 89.5-101.9 -10.8 -7.3 54.8 39.7 407 43 B R T 3< S+ 0 0 35 -4,-2.5 11,-0.2 1,-0.3 -1,-0.1 0.719 90.4 49.8 -58.9 -22.8 -5.1 51.7 39.2 408 44 B D T 3 S+ 0 0 91 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.385 93.9 93.8 -99.0 2.8 -5.7 51.8 35.5 409 45 B K < + 0 0 95 -3,-1.9 8,-0.4 39,-0.1 2,-0.3 -0.442 47.2 179.3 -90.6 168.5 -4.9 55.4 34.8 410 46 B E - 0 0 123 6,-0.1 6,-0.2 -2,-0.1 -2,-0.0 -0.960 25.0-116.8-161.8 155.0 -1.6 57.0 33.8 411 47 B T > - 0 0 1 4,-1.5 3,-2.5 -2,-0.3 34,-0.0 -0.440 43.5 -92.8 -91.5 169.5 -0.3 60.4 33.0 412 48 B P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.761 128.0 50.6 -53.5 -25.2 1.0 61.6 29.6 413 49 B S T 3 S- 0 0 48 2,-0.1 92,-0.0 0, 0.0 0, 0.0 0.410 125.0 -99.0 -94.5 0.8 4.5 60.6 30.7 414 50 B G < + 0 0 31 -3,-2.5 2,-0.3 1,-0.3 0, 0.0 0.543 68.4 150.8 96.8 7.2 3.5 57.1 31.9 415 51 B F - 0 0 6 4,-0.1 -4,-1.5 3,-0.0 -1,-0.3 -0.569 23.0-168.5 -79.2 136.7 3.2 57.6 35.6 416 52 B T > - 0 0 14 -2,-0.3 4,-2.4 -6,-0.2 -6,-0.1 -0.683 37.8-102.0-119.5 171.0 0.7 55.4 37.5 417 53 B L H > S+ 0 0 0 -11,-0.5 4,-2.5 -8,-0.4 5,-0.2 0.899 121.7 55.1 -58.8 -41.5 -0.9 55.1 40.9 418 54 B D H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.898 107.4 49.4 -60.0 -40.0 1.5 52.4 41.9 419 55 B D H 4 S+ 0 0 65 2,-0.2 3,-0.4 1,-0.2 4,-0.4 0.946 110.8 51.7 -62.4 -47.8 4.4 54.7 41.1 420 56 B I H < S+ 0 0 0 -4,-2.4 19,-1.2 1,-0.2 3,-0.4 0.917 117.2 35.2 -55.0 -51.2 2.9 57.4 43.1 421 57 B I H >X S+ 0 0 0 -4,-2.5 4,-1.3 17,-0.2 3,-1.1 0.544 86.6 101.3 -85.8 -6.2 2.3 55.4 46.3 422 58 B Q H >X S+ 0 0 22 -4,-1.3 4,-2.2 -3,-0.4 3,-0.6 0.856 80.9 51.3 -48.6 -44.2 5.4 53.2 46.2 423 59 B T H 3> S+ 0 0 5 -4,-0.4 4,-2.0 -3,-0.4 -1,-0.3 0.843 109.6 51.0 -65.4 -30.8 7.4 55.2 48.7 424 60 B G H <4 S+ 0 0 0 -3,-1.1 -1,-0.2 13,-1.1 -2,-0.2 0.694 109.7 49.4 -78.5 -20.4 4.5 55.1 51.2 425 61 B V H << S+ 0 0 8 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.870 116.6 42.3 -83.3 -36.3 4.2 51.3 50.9 426 62 B D H < S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.812 115.2 51.3 -75.7 -33.1 8.0 50.8 51.4 427 63 B N < + 0 0 34 -4,-2.0 -1,-0.2 -5,-0.2 8,-0.1 -0.785 58.5 171.1-112.4 85.7 8.3 53.4 54.2 428 64 B P S S- 0 0 56 0, 0.0 -37,-2.8 0, 0.0 2,-0.2 0.663 72.5 -1.8 -66.6 -19.4 5.6 52.6 56.9 429 65 B G - 0 0 41 -39,-0.1 5,-0.1 5,-0.1 8,-0.0 -0.833 65.1-129.6-153.3-172.3 7.2 55.2 59.3 430 66 B H - 0 0 37 -2,-0.2 260,-0.0 1,-0.1 5,-0.0 -0.962 20.4-128.8-151.0 135.2 10.1 57.6 59.6 431 67 B P S S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 259,-0.1 0.754 103.0 16.5 -58.1 -26.2 12.5 57.9 62.5 432 68 B F S S+ 0 0 92 1,-0.2 2,-0.3 257,-0.2 251,-0.1 0.595 121.5 24.6-123.3 -16.1 12.0 61.8 63.0 433 69 B I S S- 0 0 35 256,-0.1 2,-0.5 249,-0.1 -1,-0.2 -0.969 74.2 -96.2-150.2 168.0 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