==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-JUN-13 4L6Q . COMPND 2 MOLECULE: RHO-ASSOCIATED PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.ROCK,K.JARNAGIN . 776 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 62.1 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 . 95 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.5 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 . 38 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 6 0 3 5 0 3 3 0 0 0 0 2 2 0 0 1 3 0 0 0 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 . 2 5 3 0 2 2 4 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 . 4 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 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 27 A Q 0 0 159 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.8 36.1 -10.8 -26.9 2 28 A R > + 0 0 176 2,-0.1 4,-0.8 3,-0.1 3,-0.1 0.687 360.0 57.0-124.7 -37.0 33.6 -13.6 -26.6 3 29 A K H >> S+ 0 0 151 1,-0.2 4,-1.5 2,-0.2 3,-1.2 0.981 96.1 69.7 -50.4 -60.3 30.7 -12.0 -24.8 4 30 A L H 3> S+ 0 0 75 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.708 93.3 53.4 -35.1 -50.6 30.4 -9.4 -27.6 5 31 A E H 3> S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.955 109.6 48.4 -53.2 -53.5 29.2 -11.8 -30.3 6 32 A A H < - 0 0 66 -4,-1.6 3,-1.3 -5,-0.3 6,-0.1 -0.438 62.2-156.3 -70.6 114.6 20.8 -11.1 -28.9 11 37 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.710 93.7 54.5 -60.1 -23.2 17.5 -9.9 -30.3 12 38 A R T 3 S+ 0 0 132 3,-0.0 -2,-0.1 108,-0.0 -5,-0.1 0.691 89.5 96.2 -82.7 -20.7 16.8 -8.0 -27.1 13 39 A S S X S- 0 0 11 -3,-1.3 3,-0.8 -6,-0.2 6,-0.2 -0.337 73.2-134.5 -76.3 153.8 20.1 -6.0 -27.2 14 40 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.602 104.5 52.8 -80.5 -16.4 20.4 -2.5 -28.6 15 41 A I T 3 S+ 0 0 66 -8,-0.2 2,-0.2 -5,-0.1 -2,-0.1 0.019 76.7 128.7-108.3 28.2 23.6 -3.3 -30.6 16 42 A N S X> S- 0 0 15 -3,-0.8 3,-2.0 -6,-0.1 4,-1.4 -0.543 79.5 -92.9 -72.3 152.0 22.2 -6.4 -32.3 17 43 A V H 3> S+ 0 0 72 -9,-1.0 4,-2.5 1,-0.3 5,-0.2 0.767 122.2 55.6 -38.0 -56.0 22.7 -6.2 -36.1 18 44 A E H 3> S+ 0 0 45 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.827 109.1 49.8 -51.6 -36.8 19.4 -4.5 -37.2 19 45 A S H <> S+ 0 0 5 -3,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.921 107.7 52.8 -68.5 -43.9 20.2 -1.7 -34.8 20 46 A L H X S+ 0 0 94 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.915 111.2 47.0 -57.1 -42.2 23.6 -1.3 -36.2 21 47 A L H X S+ 0 0 50 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.960 106.8 55.8 -63.7 -51.9 22.1 -1.1 -39.7 22 48 A D H X S+ 0 0 8 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.865 107.3 55.8 -42.5 -38.2 19.5 1.4 -38.4 23 49 A G H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.969 109.3 39.5 -61.7 -61.1 22.7 3.3 -37.4 24 50 A L H X S+ 0 0 53 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.947 119.4 50.1 -56.4 -46.0 24.5 3.5 -40.7 25 51 A N H X S+ 0 0 29 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.911 112.8 43.2 -61.3 -47.9 21.1 4.2 -42.4 26 52 A S H X S+ 0 0 1 -4,-3.0 4,-1.6 -5,-0.3 353,-0.3 0.806 113.3 53.8 -68.4 -31.3 20.0 7.0 -40.0 27 53 A L H X S+ 0 0 63 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.965 112.0 44.1 -64.8 -51.2 23.5 8.5 -40.2 28 54 A V H >X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 3,-1.5 0.952 112.1 51.3 -60.6 -51.6 23.4 8.6 -43.9 29 55 A L H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.845 113.3 47.5 -52.5 -36.0 19.8 9.9 -44.1 30 56 A D H 3< S+ 0 0 10 -4,-1.6 347,-0.3 -5,-0.2 346,-0.3 0.563 117.0 40.6 -87.4 -8.0 20.9 12.7 -41.7 31 57 A L H << S+ 0 0 19 -3,-1.5 2,-1.8 -4,-0.9 -2,-0.2 0.570 85.8 96.7-108.7 -20.0 24.1 13.6 -43.5 32 58 A D < + 0 0 62 -4,-2.1 -1,-0.1 -5,-0.2 3,-0.1 -0.562 55.7 112.9 -80.7 83.6 23.0 13.5 -47.2 33 59 A F S > S- 0 0 48 -2,-1.8 4,-3.2 1,-0.1 3,-0.4 -0.971 71.7-124.1-150.0 141.2 22.2 17.1 -47.8 34 60 A P H > S+ 0 0 104 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.864 110.8 54.6 -53.3 -39.9 23.9 19.7 -50.1 35 61 A A H >4 S+ 0 0 30 337,-0.3 3,-0.6 1,-0.2 338,-0.1 0.910 115.4 36.3 -61.0 -46.0 24.5 22.1 -47.2 36 62 A L H >4 S+ 0 0 14 -3,-0.4 3,-3.4 1,-0.2 6,-0.3 0.882 105.9 68.1 -78.2 -39.4 26.2 19.5 -45.0 37 63 A R H 3< S+ 0 0 51 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.593 79.3 79.9 -58.7 -11.9 28.0 17.8 -47.9 38 64 A K T << S+ 0 0 165 -3,-0.6 2,-0.7 -4,-0.5 -1,-0.3 0.666 78.2 87.1 -64.2 -16.8 30.0 21.1 -48.2 39 65 A N S <> S- 0 0 79 -3,-3.4 4,-2.4 1,-0.2 3,-0.3 -0.802 79.1-147.4 -83.4 118.0 31.9 19.4 -45.3 40 66 A K H > S+ 0 0 157 -2,-0.7 4,-3.5 1,-0.2 5,-0.4 0.931 94.5 51.8 -48.2 -60.2 34.6 17.2 -46.8 41 67 A N H > S+ 0 0 119 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.835 113.5 45.0 -48.0 -43.0 34.4 14.5 -44.1 42 68 A I H > S+ 0 0 26 -3,-0.3 4,-2.2 -6,-0.3 -1,-0.3 0.872 116.2 47.7 -69.7 -38.5 30.7 14.2 -44.5 43 69 A D H X S+ 0 0 51 -4,-2.4 4,-2.5 -3,-0.3 -2,-0.2 0.977 112.8 44.9 -67.1 -55.2 31.0 14.1 -48.3 44 70 A N H X S+ 0 0 85 -4,-3.5 4,-0.7 1,-0.2 -1,-0.2 0.721 112.8 54.6 -69.0 -18.9 33.8 11.6 -48.5 45 71 A F H >X S+ 0 0 35 -4,-1.2 4,-1.6 -5,-0.4 3,-1.1 0.965 108.4 46.2 -67.7 -57.8 31.9 9.4 -46.0 46 72 A L H 3X S+ 0 0 0 -4,-2.2 4,-3.8 1,-0.3 5,-0.4 0.890 104.7 61.4 -57.0 -42.5 28.7 9.4 -48.0 47 73 A N H 3< S+ 0 0 99 -4,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.867 108.5 45.7 -48.9 -38.9 30.5 8.6 -51.2 48 74 A R H << S+ 0 0 161 -3,-1.1 4,-0.4 -4,-0.7 -2,-0.2 0.911 129.4 19.4 -71.9 -43.3 31.7 5.4 -49.5 49 75 A Y H X S+ 0 0 78 -4,-1.6 4,-2.5 2,-0.1 5,-0.3 0.662 97.1 87.9-109.1 -18.2 28.4 4.2 -48.0 50 76 A E H X S+ 0 0 57 -4,-3.8 4,-1.4 -5,-0.3 -3,-0.1 0.850 94.3 48.0 -50.2 -39.3 25.6 6.0 -49.9 51 77 A K H > S+ 0 0 177 -5,-0.4 4,-2.2 -4,-0.3 3,-0.2 0.974 114.0 39.9 -69.8 -58.6 25.5 3.2 -52.5 52 78 A I H > S+ 0 0 74 -4,-0.4 4,-4.0 1,-0.2 5,-0.2 0.856 112.0 59.3 -64.9 -34.4 25.5 0.0 -50.4 53 79 A V H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.903 106.0 48.0 -57.2 -44.1 23.1 1.7 -47.9 54 80 A K H X S+ 0 0 137 -4,-1.4 4,-1.6 -5,-0.3 -2,-0.2 0.975 114.1 46.8 -59.7 -51.9 20.6 2.2 -50.8 55 81 A K H >X S+ 0 0 140 -4,-2.2 4,-1.9 1,-0.2 3,-0.8 0.943 112.2 49.7 -53.5 -53.0 21.1 -1.5 -51.8 56 82 A I H 3X S+ 0 0 33 -4,-4.0 4,-1.9 1,-0.3 3,-0.4 0.947 106.4 57.3 -47.9 -50.8 20.7 -2.6 -48.1 57 83 A R H 3< S+ 0 0 76 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.813 106.3 50.1 -54.5 -34.3 17.5 -0.5 -48.0 58 84 A G H << S+ 0 0 43 -4,-1.6 -1,-0.3 -3,-0.8 -2,-0.2 0.882 108.4 49.9 -70.7 -41.2 16.2 -2.5 -50.9 59 85 A L H < S+ 0 0 140 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.753 99.8 89.0 -69.8 -26.2 17.0 -5.9 -49.3 60 86 A Q S < S- 0 0 48 -4,-1.9 2,-0.3 -5,-0.2 73,-0.0 0.006 95.7 -89.4 -59.4 169.3 15.2 -4.7 -46.2 61 87 A M - 0 0 32 2,-0.0 2,-0.3 3,-0.0 73,-0.2 -0.670 55.6-177.8 -80.1 144.3 11.5 -5.1 -45.5 62 88 A K > - 0 0 56 -2,-0.3 3,-1.4 -3,-0.1 4,-0.2 -0.913 42.4-103.5-143.3 165.0 9.7 -2.1 -46.8 63 89 A A G > S+ 0 0 26 -2,-0.3 3,-1.6 1,-0.3 -1,-0.0 0.797 114.6 64.6 -62.2 -29.5 6.2 -0.6 -47.0 64 90 A E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.551 84.2 73.8 -76.5 -8.2 5.8 -1.7 -50.7 65 91 A D G < S+ 0 0 43 -3,-1.4 21,-2.8 21,-0.1 2,-0.4 0.606 96.3 65.3 -71.2 -13.1 6.0 -5.3 -49.7 66 92 A Y E < S-A 85 0A 9 -3,-1.6 2,-0.3 19,-0.2 19,-0.2 -0.889 74.9-139.8-116.1 139.8 2.5 -4.8 -48.4 67 93 A D E -A 84 0A 71 17,-3.1 17,-1.8 -2,-0.4 2,-0.7 -0.734 23.5-132.3 -79.8 147.4 -0.8 -4.0 -50.1 68 94 A V E +A 83 0A 83 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.903 25.9 178.6-101.2 105.8 -2.9 -1.6 -48.1 69 95 A V E - 0 0 55 13,-1.1 2,-0.3 -2,-0.7 -1,-0.2 0.996 61.9 -34.9 -69.8 -66.5 -6.5 -3.0 -47.9 70 96 A K E -A 82 0A 69 12,-0.6 12,-3.2 290,-0.0 2,-0.7 -0.983 55.8-103.4-156.6 154.2 -8.1 -0.2 -45.8 71 97 A V E +A 81 0A 14 -2,-0.3 290,-0.6 10,-0.2 10,-0.2 -0.681 34.2 176.3 -75.4 112.0 -7.3 2.2 -43.0 72 98 A I E + 0 0 18 8,-1.3 2,-0.3 -2,-0.7 287,-0.3 0.512 65.3 17.9 -97.3 -9.4 -9.0 0.8 -39.8 73 99 A G E -A 80 0A 18 7,-1.9 7,-3.3 285,-0.1 2,-0.3 -0.958 58.2-174.9-159.4 149.1 -7.7 3.5 -37.4 74 100 A R E +A 79 0A 89 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.993 13.0 153.8-147.1 138.0 -6.3 7.0 -37.4 75 101 A G - 0 0 51 3,-2.8 3,-0.4 -2,-0.3 -2,-0.0 -0.754 57.5 -68.7-148.2-167.5 -4.8 9.3 -34.7 76 102 A A S S+ 0 0 60 1,-0.2 3,-0.1 -2,-0.2 21,-0.0 0.547 126.3 38.2 -77.9 -10.9 -2.4 12.2 -34.1 77 103 A F S S- 0 0 48 1,-0.2 21,-4.3 19,-0.1 2,-0.3 0.553 125.3 -62.1-110.2 -15.0 0.8 10.3 -34.8 78 104 A G E - B 0 97A 17 -3,-0.4 -3,-2.8 19,-0.3 2,-0.3 -0.948 56.3 -69.8 170.9-144.8 -0.4 8.1 -37.6 79 105 A E E -AB 74 96A 49 17,-0.9 17,-3.2 -2,-0.3 2,-0.4 -0.888 19.9-132.2-138.7 164.4 -2.7 5.4 -38.8 80 106 A V E -AB 73 95A 35 -7,-3.3 -7,-1.9 -2,-0.3 -8,-1.3 -0.999 30.4-166.6-121.9 128.4 -3.4 1.7 -38.5 81 107 A Q E -AB 71 94A 19 13,-3.0 13,-2.9 -2,-0.4 2,-0.4 -0.885 23.1-131.5-115.6 140.0 -3.9 -0.1 -41.8 82 108 A L E +AB 70 93A 0 -12,-3.2 -13,-1.1 -2,-0.4 -12,-0.6 -0.738 45.3 174.9 -77.1 140.0 -5.3 -3.4 -42.6 83 109 A V E -AB 68 92A 0 9,-2.4 9,-2.1 -2,-0.4 2,-0.4 -0.937 32.4-142.2-143.2 165.6 -2.7 -4.9 -45.0 84 110 A R E -AB 67 91A 14 -17,-1.8 -17,-3.1 -2,-0.3 2,-0.4 -0.995 24.6-128.3-131.0 132.3 -1.8 -8.0 -46.9 85 111 A H E > -A 66 0A 37 5,-2.9 4,-2.4 -2,-0.4 5,-0.2 -0.637 20.1-143.8 -79.0 128.9 1.8 -9.1 -47.4 86 112 A K T 4 S+ 0 0 93 -21,-2.8 -1,-0.1 -2,-0.4 -20,-0.1 0.974 91.0 41.6 -63.2 -62.3 2.4 -9.6 -51.1 87 113 A A T 4 S+ 0 0 81 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.861 130.2 28.4 -54.5 -42.4 4.8 -12.6 -51.2 88 114 A S T 4 S- 0 0 22 2,-0.1 -1,-0.2 425,-0.1 -2,-0.2 0.636 91.6-141.1 -96.8 -19.4 3.0 -14.6 -48.4 89 115 A Q < + 0 0 79 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.616 50.0 146.9 65.4 18.4 -0.6 -13.2 -48.9 90 116 A K - 0 0 58 -5,-0.2 -5,-2.9 1,-0.0 2,-0.3 -0.626 46.1-127.9 -86.4 140.4 -1.0 -13.1 -45.1 91 117 A V E +B 84 0A 26 -2,-0.3 54,-0.3 -7,-0.2 2,-0.3 -0.649 35.3 164.8 -88.6 145.4 -3.2 -10.4 -43.6 92 118 A Y E -B 83 0A 14 -9,-2.1 -9,-2.4 -2,-0.3 2,-0.4 -0.893 38.0-113.9-145.2 172.1 -1.8 -8.2 -40.8 93 119 A A E -BC 82 143A 7 50,-2.1 50,-3.7 -2,-0.3 2,-0.4 -0.952 33.3-164.4-108.7 138.4 -2.5 -4.9 -39.0 94 120 A M E -BC 81 142A 3 -13,-2.9 -13,-3.0 -2,-0.4 2,-0.5 -0.979 7.3-155.0-131.6 123.1 0.1 -2.3 -39.5 95 121 A K E -BC 80 141A 25 46,-2.4 46,-1.9 -2,-0.4 2,-0.4 -0.837 7.6-160.9-101.1 127.5 0.6 0.8 -37.5 96 122 A L E -BC 79 140A 9 -17,-3.2 -17,-0.9 -2,-0.5 2,-0.4 -0.883 3.3-167.2-101.8 137.7 2.3 3.8 -39.0 97 123 A L E -BC 78 139A 10 42,-2.3 42,-1.5 -2,-0.4 2,-0.4 -0.974 23.2-124.8-127.8 118.6 3.8 6.4 -36.8 98 124 A S E > - C 0 138A 15 -21,-4.3 4,-2.1 -2,-0.4 40,-0.2 -0.432 14.0-163.9 -63.6 115.1 4.9 9.8 -38.4 99 125 A K H > S+ 0 0 1 38,-2.3 4,-2.0 -2,-0.4 5,-0.2 0.858 91.9 56.4 -62.1 -36.7 8.5 10.5 -37.6 100 126 A F H > S+ 0 0 28 37,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.921 109.9 43.3 -63.7 -43.4 7.9 14.1 -38.6 101 127 A E H > S+ 0 0 42 2,-0.2 4,-3.4 1,-0.2 6,-0.2 0.903 110.7 55.2 -68.5 -41.5 5.0 14.6 -36.1 102 128 A M H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 -2,-0.2 0.871 112.0 43.4 -62.4 -38.6 6.9 12.8 -33.3 103 129 A I H ><5S+ 0 0 47 -4,-2.0 3,-1.7 3,-0.2 -2,-0.2 0.970 117.2 46.9 -65.5 -54.0 9.8 15.2 -33.6 104 130 A K H 3<5S+ 0 0 122 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.935 115.9 42.6 -51.5 -58.5 7.5 18.2 -33.9 105 131 A R T 3<5S- 0 0 126 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.2 0.205 109.7-126.8 -78.1 15.7 5.3 17.3 -31.0 106 132 A S T < 5S+ 0 0 105 -3,-1.7 2,-0.2 -5,-0.1 -3,-0.2 0.800 75.3 119.6 41.3 45.5 8.5 16.4 -29.0 107 133 A D < + 0 0 73 -5,-2.3 3,-0.2 -6,-0.2 -1,-0.1 -0.652 22.5 137.2-136.0 71.4 7.2 12.9 -28.2 108 134 A S + 0 0 36 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.1 0.026 60.2 54.2-115.6 25.6 9.7 10.5 -29.9 109 135 A A S > S+ 0 0 65 -7,-0.1 3,-0.7 99,-0.1 4,-0.3 0.291 70.7 98.5-140.6 11.4 10.3 7.8 -27.3 110 136 A F T 3 S+ 0 0 39 1,-0.2 4,-0.5 -3,-0.2 100,-0.2 0.485 76.3 64.1 -80.7 -3.2 6.9 6.3 -26.4 111 137 A F T 3> S+ 0 0 0 2,-0.1 4,-3.1 1,-0.1 -1,-0.2 0.578 76.8 81.6-100.9 -12.5 7.1 3.3 -28.7 112 138 A W H <> S+ 0 0 66 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.942 97.5 42.5 -62.5 -47.3 10.1 1.4 -27.2 113 139 A E H > S+ 0 0 52 -4,-0.3 4,-2.6 2,-0.2 5,-0.3 0.895 113.9 52.9 -67.0 -39.6 8.0 -0.3 -24.5 114 140 A E H > S+ 0 0 0 -4,-0.5 4,-2.3 2,-0.2 5,-0.3 0.943 110.2 49.4 -57.2 -46.1 5.3 -0.9 -27.1 115 141 A R H X S+ 0 0 18 -4,-3.1 4,-3.3 1,-0.2 -2,-0.2 0.982 114.5 42.1 -55.4 -61.0 7.8 -2.5 -29.3 116 142 A D H X S+ 0 0 36 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.840 114.6 50.8 -60.7 -38.9 9.3 -4.8 -26.7 117 143 A I H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.971 116.4 39.6 -62.8 -53.9 6.0 -5.8 -25.2 118 144 A M H < S+ 0 0 2 -4,-2.3 11,-1.6 -5,-0.3 4,-0.3 0.898 120.4 47.3 -65.8 -40.1 4.4 -6.8 -28.5 119 145 A A H < S+ 0 0 11 -4,-3.3 -2,-0.2 -5,-0.3 -1,-0.2 0.951 129.0 17.8 -58.5 -49.4 7.7 -8.3 -29.6 120 146 A F H < S+ 0 0 55 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.540 90.6 94.1-117.0 -11.3 8.4 -10.4 -26.4 121 147 A A < - 0 0 19 -4,-2.8 -1,-0.1 -5,-0.3 -3,-0.1 0.861 56.6-164.9 -51.7 -42.3 5.4 -10.9 -24.2 122 148 A N + 0 0 81 -4,-0.3 -1,-0.1 -5,-0.3 -4,-0.1 0.872 42.8 136.9 52.7 36.6 4.5 -14.2 -25.7 123 149 A S > - 0 0 23 3,-0.3 3,-1.6 -5,-0.1 -1,-0.2 -0.924 65.0-134.7-117.9 139.9 1.1 -13.7 -24.0 124 150 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.613 107.8 55.4 -61.3 -12.5 -2.4 -14.4 -25.3 125 151 A W T 3 S+ 0 0 28 78,-0.1 79,-3.3 1,-0.1 2,-0.6 0.492 96.4 71.9 -98.7 -7.4 -3.5 -11.0 -23.9 126 152 A V B < S-f 204 0B 5 -3,-1.6 -3,-0.3 77,-0.2 79,-0.1 -0.935 88.4-117.7-119.8 111.1 -0.9 -8.9 -25.7 127 153 A V - 0 0 4 77,-1.7 -6,-0.1 -2,-0.6 2,-0.1 -0.175 38.2-122.3 -50.0 127.7 -1.2 -8.3 -29.4 128 154 A Q - 0 0 33 -4,-0.1 16,-1.9 -8,-0.1 2,-0.5 -0.401 15.7-147.5 -81.3 148.5 1.8 -9.8 -31.1 129 155 A L E +D 143 0A 2 -11,-1.6 14,-0.2 14,-0.2 3,-0.1 -0.977 15.4 178.6-117.7 124.8 4.3 -7.9 -33.2 130 156 A F E + 0 0 19 12,-2.7 259,-1.8 -2,-0.5 2,-0.3 0.823 67.7 8.0 -93.9 -37.8 5.9 -9.8 -36.1 131 157 A Y E -DE 142 388A 41 11,-1.1 11,-3.1 257,-0.2 2,-0.4 -0.996 52.4-164.5-148.7 145.2 8.1 -7.1 -37.7 132 158 A A E +DE 141 387A 0 255,-2.4 255,-3.2 -2,-0.3 2,-0.3 -0.999 27.7 154.3-127.0 125.0 9.1 -3.5 -36.9 133 159 A F E -D 140 0A 2 7,-2.0 7,-3.4 -2,-0.4 2,-0.3 -0.918 18.6-159.3-146.9 175.3 10.6 -1.5 -39.7 134 160 A Q E -D 139 0A 33 -2,-0.3 2,-0.3 -73,-0.2 5,-0.2 -0.986 10.3-167.3-154.0 157.8 11.1 2.0 -40.8 135 161 A D - 0 0 45 3,-2.2 3,-0.0 -2,-0.3 -73,-0.0 -0.923 55.0 -79.0-139.1 172.0 11.8 4.5 -43.6 136 162 A D S S+ 0 0 77 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.685 128.6 35.6 -41.7 -26.7 12.7 8.2 -43.7 137 163 A R S S+ 0 0 140 1,-0.2 -38,-2.3 -38,-0.1 -37,-0.7 0.880 119.1 14.3 -99.1 -48.2 9.0 9.1 -43.1 138 164 A Y E -C 98 0A 64 -40,-0.2 -3,-2.2 -39,-0.1 2,-0.4 -0.760 54.5-126.9-128.7 169.4 7.5 6.6 -40.7 139 165 A L E -CD 97 134A 0 -42,-1.5 -42,-2.3 -2,-0.2 2,-0.4 -0.919 32.7-156.0-107.1 143.1 7.9 3.8 -38.3 140 166 A Y E -CD 96 133A 16 -7,-3.4 -7,-2.0 -2,-0.4 2,-0.4 -0.972 11.7-168.9-124.2 140.8 5.9 0.7 -39.1 141 167 A M E -CD 95 132A 0 -46,-1.9 -46,-2.4 -2,-0.4 2,-0.6 -0.983 9.5-155.1-129.2 121.7 4.7 -2.1 -36.8 142 168 A V E +CD 94 131A 0 -11,-3.1 -12,-2.7 -2,-0.4 -11,-1.1 -0.854 26.5 173.5 -99.9 118.9 3.2 -5.3 -38.3 143 169 A M E -CD 93 129A 16 -50,-3.7 -50,-2.1 -2,-0.6 -14,-0.2 -0.755 41.8 -86.1-124.0 160.0 0.9 -6.9 -35.8 144 170 A E - 0 0 54 -16,-1.9 2,-0.5 -2,-0.2 -52,-0.1 -0.502 54.8-114.9 -63.7 136.2 -1.5 -9.8 -35.6 145 171 A Y - 0 0 35 -54,-0.3 53,-0.2 -2,-0.2 -1,-0.1 -0.686 21.4-155.7 -78.6 123.6 -4.8 -8.5 -36.9 146 172 A M > - 0 0 8 -2,-0.5 3,-0.9 1,-0.1 50,-0.2 -0.879 12.3-176.7 -98.0 97.7 -7.6 -8.4 -34.3 147 173 A P T 3 + 0 0 11 0, 0.0 210,-0.4 0, 0.0 50,-0.2 0.513 65.8 77.5 -77.0 -7.1 -10.8 -8.6 -36.4 148 174 A G T 3 S- 0 0 9 48,-1.9 49,-0.2 1,-0.3 2,-0.1 0.544 89.9-138.6 -80.3 -6.1 -13.3 -8.2 -33.6 149 175 A G < - 0 0 0 -3,-0.9 47,-3.1 47,-0.4 -1,-0.3 -0.379 35.5 -52.6 77.4-163.7 -12.8 -4.5 -33.2 150 176 A D B > -G 195 0B 41 207,-0.4 4,-1.6 45,-0.3 3,-0.2 -0.581 44.0-106.9-110.2 172.1 -12.7 -2.8 -29.7 151 177 A L H > S+ 0 0 2 43,-1.5 4,-2.7 40,-1.1 5,-0.2 0.732 116.2 65.2 -73.5 -21.0 -14.9 -2.9 -26.7 152 178 A V H > S+ 0 0 54 39,-0.4 4,-2.5 42,-0.3 -1,-0.2 0.946 104.3 46.6 -59.2 -46.9 -16.1 0.7 -27.4 153 179 A N H > S+ 0 0 26 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.900 111.7 49.7 -63.9 -42.3 -17.7 -0.7 -30.6 154 180 A L H >X S+ 0 0 14 -4,-1.6 3,-1.0 2,-0.2 4,-0.7 0.980 114.1 44.6 -59.8 -55.3 -19.3 -3.6 -28.7 155 181 A M H 3< S+ 0 0 37 -4,-2.7 3,-0.5 1,-0.3 -2,-0.2 0.823 110.9 55.4 -58.0 -34.8 -20.7 -1.3 -26.1 156 182 A S H 3< S+ 0 0 73 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.808 117.2 36.5 -64.0 -30.8 -21.8 1.1 -28.9 157 183 A N H << S+ 0 0 105 -4,-1.6 2,-0.3 -3,-1.0 -2,-0.2 0.320 117.4 53.5-105.6 7.8 -23.7 -1.9 -30.4 158 184 A Y < - 0 0 106 -4,-0.7 2,-0.7 -3,-0.5 -1,-0.1 -0.995 63.3-137.9-146.9 138.5 -24.9 -3.6 -27.2 159 185 A D - 0 0 154 -2,-0.3 103,-0.1 -3,-0.0 102,-0.1 -0.892 48.8-137.2 -80.7 118.0 -26.8 -3.2 -24.0 160 186 A V - 0 0 10 -2,-0.7 -2,-0.0 101,-0.5 -5,-0.0 -0.725 11.8-147.3 -93.9 119.0 -24.3 -5.4 -21.9 161 187 A P > - 0 0 61 0, 0.0 4,-2.1 0, 0.0 3,-0.1 -0.263 26.7-114.5 -68.2 167.1 -25.5 -7.9 -19.4 162 188 A E H > S+ 0 0 39 2,-0.2 4,-4.0 1,-0.2 5,-0.4 0.925 114.2 65.7 -69.2 -44.4 -23.5 -8.6 -16.2 163 189 A K H > S+ 0 0 128 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.856 110.1 40.1 -41.5 -42.6 -22.8 -12.2 -17.4 164 190 A W H >> S+ 0 0 55 2,-0.2 4,-2.4 1,-0.1 3,-0.7 0.944 113.3 52.2 -72.0 -52.4 -20.8 -10.5 -20.2 165 191 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 5,-0.4 0.878 106.5 55.6 -53.6 -41.3 -19.3 -7.8 -18.0 166 192 A K H 3X S+ 0 0 51 -4,-4.0 4,-1.4 2,-0.2 -1,-0.3 0.871 112.0 44.8 -56.3 -40.5 -18.1 -10.5 -15.6 167 193 A F H <>S+ 0 0 0 -4,-2.0 5,-1.5 1,-0.2 3,-0.6 0.908 113.5 51.1 -58.8 -42.6 1.7 -6.8 -18.0 180 206 A H H ><5S+ 0 0 4 -4,-2.5 3,-2.5 1,-0.3 -1,-0.2 0.938 106.1 53.9 -61.4 -44.9 2.2 -6.1 -14.3 181 207 A S H 3<5S+ 0 0 93 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.716 102.2 60.2 -65.2 -20.1 4.1 -9.4 -13.9 182 208 A M T <<5S- 0 0 63 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.363 126.0-102.4 -84.0 1.9 6.4 -8.1 -16.7 183 209 A G T < 5S+ 0 0 25 -3,-2.5 30,-1.8 1,-0.3 2,-0.3 0.824 82.7 119.2 86.9 33.7 7.3 -5.2 -14.6 184 210 A L E < -I 212 0C 1 -5,-1.5 2,-0.4 28,-0.2 -1,-0.3 -0.982 53.1-146.9-140.2 144.9 5.1 -2.6 -16.3 185 211 A I E -I 211 0C 0 26,-2.3 26,-1.4 -2,-0.3 62,-0.0 -0.906 11.6-151.2-108.6 134.3 2.2 -0.3 -15.6 186 212 A H - 0 0 0 -2,-0.4 2,-0.3 24,-0.2 23,-0.2 0.917 17.4-177.1 -73.8 -46.7 -0.3 0.2 -18.5 187 213 A R + 0 0 26 60,-0.1 40,-0.2 1,-0.1 -1,-0.1 0.151 69.4 60.9 73.6 -20.1 -1.4 3.8 -17.5 188 214 A D + 0 0 15 -2,-0.3 5,-0.2 38,-0.1 2,-0.2 -0.263 65.9 161.5-131.0 47.9 -4.0 4.2 -20.3 189 215 A V + 0 0 0 41,-0.1 38,-0.1 3,-0.1 68,-0.1 -0.514 18.9 125.0 -68.9 135.3 -6.5 1.3 -19.7 190 216 A K S > S- 0 0 29 -2,-0.2 3,-1.8 1,-0.1 4,-0.1 -0.844 74.1 -93.7 175.7 152.7 -9.8 1.9 -21.4 191 217 A P G > S+ 0 0 0 0, 0.0 3,-2.4 0, 0.0 -40,-1.1 0.808 117.1 69.9 -53.7 -32.5 -12.1 0.0 -23.9 192 218 A D G 3 S+ 0 0 68 1,-0.3 -3,-0.1 -41,-0.2 -39,-0.1 0.872 102.4 43.9 -47.5 -43.9 -10.4 1.8 -26.8 193 219 A N G < S+ 0 0 12 -3,-1.8 12,-2.5 -5,-0.2 2,-0.6 0.151 96.1 92.6 -93.8 18.0 -7.2 -0.1 -26.2 194 220 A M E < - H 0 204B 0 -3,-2.4 -43,-1.5 10,-0.2 2,-0.4 -0.954 58.2-172.4-113.0 113.7 -9.1 -3.4 -25.7 195 221 A L E -GH 150 203B 34 8,-2.5 8,-1.4 -2,-0.6 2,-0.4 -0.894 17.9-137.9-111.4 135.0 -9.4 -5.4 -29.0 196 222 A L E - H 0 202B 6 -47,-3.1 -48,-1.9 -2,-0.4 -47,-0.4 -0.745 22.6-142.3 -87.3 133.4 -11.5 -8.6 -29.5 197 223 A D > - 0 0 22 4,-1.9 3,-1.2 -2,-0.4 -51,-0.1 -0.045 41.6 -72.6 -81.3-169.3 -9.8 -11.3 -31.5 198 224 A K T 3 S+ 0 0 26 1,-0.3 151,-0.1 -53,-0.2 -52,-0.0 0.771 136.9 41.2 -57.2 -32.4 -11.4 -13.7 -34.1 199 225 A H T 3 S- 0 0 27 147,-0.1 -1,-0.3 2,-0.1 144,-0.3 0.482 123.7-102.1 -94.3 -8.0 -13.1 -15.7 -31.4 200 226 A G S < S+ 0 0 0 -3,-1.2 2,-0.4 1,-0.3 145,-0.3 0.821 74.0 138.7 90.7 35.7 -14.1 -12.6 -29.4 201 227 A H - 0 0 3 142,-0.1 -4,-1.9 143,-0.1 -1,-0.3 -0.946 52.3-110.5-114.5 133.6 -11.4 -12.7 -26.6 202 228 A L E + H 0 196B 0 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.127 31.5 177.3 -64.6 148.1 -9.7 -9.5 -25.4 203 229 A K E - H 0 195B 14 -8,-1.4 -8,-2.5 -57,-0.0 -77,-0.2 -0.945 35.7-114.8-139.4 141.5 -6.1 -8.5 -26.0 204 230 A L E -fH 126 194B 1 -79,-3.3 -77,-1.7 -2,-0.3 -10,-0.2 -0.560 36.3-176.9 -75.1 142.4 -4.7 -5.2 -24.8 205 231 A A + 0 0 16 -12,-2.5 2,-0.5 1,-0.2 -1,-0.1 0.840 51.7 50.5-116.3 -49.2 -3.6 -3.2 -27.9 206 232 A D + 0 0 55 -13,-0.3 -1,-0.2 -18,-0.1 -18,-0.1 -0.899 45.1 169.6-107.5 128.7 -2.0 0.2 -27.4 207 233 A F > + 0 0 0 -2,-0.5 3,-1.0 1,-0.1 -93,-0.2 -0.132 36.9 121.6-126.6 33.9 1.1 0.4 -25.1 208 234 A G T 3 S+ 0 0 17 1,-0.2 -95,-0.1 -95,-0.1 -96,-0.1 0.701 79.7 46.9 -72.5 -17.1 2.4 3.9 -25.8 209 235 A T T 3 S+ 0 0 35 -23,-0.2 -1,-0.2 -3,-0.1 -24,-0.1 0.263 82.4 126.7-110.4 8.4 1.9 4.9 -22.2 210 236 A C < - 0 0 13 -3,-1.0 2,-0.3 -100,-0.2 -24,-0.2 -0.292 36.2-169.9 -65.7 153.1 3.5 1.9 -20.5 211 237 A M E -I 185 0C 59 -26,-1.4 -26,-2.3 -98,-0.1 2,-0.1 -0.992 21.9-119.5-145.9 140.2 6.3 2.4 -17.9 212 238 A K E -I 184 0C 94 -2,-0.3 -28,-0.2 -28,-0.2 2,-0.2 -0.476 32.3-129.2 -75.3 152.0 8.7 0.0 -16.2 213 239 A M - 0 0 32 -30,-1.8 6,-0.2 1,-0.2 -1,-0.1 -0.523 20.9-100.9 -96.2 165.5 8.6 -0.2 -12.4 214 240 A D - 0 0 51 4,-1.6 -1,-0.2 -2,-0.2 5,-0.0 -0.167 43.6 -95.3 -66.6 173.7 11.4 0.1 -9.7 215 241 A E S S+ 0 0 188 2,-0.1 -1,-0.1 1,-0.1 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