==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 03-JAN-03 1NKK . COMPND 2 MOLECULE: CAPSID PROTEIN P40; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 5; . AUTHOR R.KHAYAT,R.BATRA,C.QIAN,T.HALMOS,M.BAILEY,L.TONG . 910 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 61 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 4 0 0 0 5 3 8 7 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 4 6 2 0 4 0 8 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 4 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 4 A D 0 0 146 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 2.1 38.1 63.0 10.9 2 5 A E > + 0 0 130 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.635 360.0 72.1 -84.0 -17.5 35.5 65.5 12.1 3 6 A Q T 4 S+ 0 0 131 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.636 96.5 51.1 -70.6 -15.0 33.6 64.4 9.1 4 7 A Q T > S+ 0 0 79 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.684 96.3 65.5 -95.5 -24.4 33.0 61.1 10.9 5 8 A S T 4 S+ 0 0 74 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.1 0.859 111.1 36.8 -67.2 -36.0 31.6 62.6 14.1 6 9 A Q T >< S+ 0 0 127 -4,-1.0 3,-1.1 1,-0.2 -1,-0.2 0.725 112.3 60.4 -86.2 -24.6 28.6 64.0 12.4 7 10 A A T 34 S+ 0 0 18 -4,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.820 107.8 44.9 -69.8 -33.0 28.4 60.9 10.1 8 11 A V T 3< S+ 0 0 43 -4,-1.8 -1,-0.3 102,-0.0 -2,-0.1 0.062 90.6 118.4 -98.7 23.2 28.0 58.7 13.1 9 12 A A S < S- 0 0 29 -3,-1.1 -3,-0.1 1,-0.2 69,-0.1 -0.411 80.4 -66.3 -81.8 164.1 25.4 61.0 14.7 10 13 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 69,-0.2 -0.100 49.9-153.7 -52.4 148.2 21.8 59.8 15.4 11 14 A V E -A 78 0A 0 67,-1.8 67,-3.4 -3,-0.1 2,-0.3 -0.990 5.3-141.3-127.5 130.2 19.7 59.0 12.3 12 15 A Y E -AB 77 151A 48 139,-3.6 139,-2.7 -2,-0.4 2,-0.4 -0.633 13.5-167.2 -91.7 151.0 15.9 59.1 12.3 13 16 A V E +AB 76 150A 2 63,-2.1 63,-3.8 -2,-0.3 2,-0.3 -1.000 8.8 175.8-136.4 135.2 13.8 56.6 10.4 14 17 A G E +AB 75 149A 0 135,-2.5 135,-3.6 -2,-0.4 2,-0.3 -0.958 15.7 116.8-139.1 158.3 10.1 56.9 9.7 15 18 A G E -A 74 0A 0 59,-1.6 59,-2.6 -2,-0.3 2,-0.4 -0.911 59.9 -67.5 163.4 172.5 7.4 55.0 7.9 16 19 A F E -A 73 0A 0 129,-0.6 57,-0.3 131,-0.3 105,-0.2 -0.718 24.3-163.7 -90.2 136.5 4.2 53.1 8.2 17 20 A L E S+ 0 0 1 55,-3.3 106,-0.4 -2,-0.4 2,-0.3 0.645 81.7 4.9 -88.2 -18.1 4.2 49.8 10.1 18 21 A A E -A 72 0A 4 54,-1.1 54,-1.6 127,-0.1 2,-0.5 -0.967 61.7-144.2-164.5 147.4 0.9 49.0 8.6 19 22 A R E > -A 71 0A 12 -2,-0.3 3,-1.2 125,-0.3 52,-0.3 -0.979 7.2-156.5-116.9 123.8 -1.6 50.4 6.1 20 23 A Y T 3 S+ 0 0 45 50,-0.9 51,-0.1 -2,-0.5 -1,-0.1 0.817 94.1 58.3 -69.9 -28.6 -5.2 49.9 6.9 21 24 A D T 3 S+ 0 0 85 49,-0.5 2,-0.5 -3,-0.1 -1,-0.3 0.230 91.2 86.5 -85.8 15.0 -6.2 50.2 3.2 22 25 A Q S < S- 0 0 41 -3,-1.2 -3,-0.1 122,-0.1 122,-0.0 -0.968 73.0-140.7-117.9 121.4 -3.9 47.3 2.3 23 26 A S - 0 0 120 -2,-0.5 2,-0.1 7,-0.1 -2,-0.1 -0.707 22.9-126.2 -84.8 120.3 -5.3 43.8 2.5 24 27 A P - 0 0 35 0, 0.0 6,-0.1 0, 0.0 119,-0.1 -0.394 4.2-138.7 -63.9 134.3 -2.6 41.3 3.8 25 28 A D S S+ 0 0 125 117,-0.3 2,-0.3 1,-0.1 3,-0.1 0.271 95.7 47.9 -77.2 14.1 -2.0 38.3 1.6 26 29 A E S > S- 0 0 91 1,-0.1 3,-2.4 0, 0.0 4,-0.3 -0.911 80.4-136.1-156.4 125.7 -1.9 36.5 4.9 27 30 A A G > S+ 0 0 82 1,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.784 102.5 66.2 -51.9 -35.2 -4.4 36.7 7.8 28 31 A R G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -3,-0.1 884,-0.1 0.696 98.6 55.8 -63.2 -16.9 -1.6 36.8 10.4 29 32 A L G < S+ 0 0 1 -3,-2.4 -1,-0.3 113,-0.1 -2,-0.2 0.480 78.5 116.8 -93.7 -4.7 -0.7 40.2 8.9 30 33 A L < + 0 0 91 -3,-1.9 -7,-0.1 -4,-0.3 -10,-0.1 -0.369 30.3 159.9 -61.5 143.6 -4.2 41.7 9.4 31 34 A L - 0 0 16 -12,-0.1 2,-0.1 -11,-0.1 -1,-0.1 -0.419 18.8-165.5-169.7 79.4 -4.0 44.6 11.8 32 35 A P >> - 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.388 35.7-106.9 -74.5 151.5 -7.0 47.0 11.6 33 36 A R H 3> S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.747 116.3 63.3 -45.8 -31.8 -7.0 50.5 13.1 34 37 A D H 3> S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.949 106.8 40.8 -61.7 -50.9 -9.3 49.3 15.8 35 38 A V H <> S+ 0 0 43 -3,-0.9 4,-3.2 2,-0.2 5,-0.2 0.931 114.9 53.7 -62.5 -47.0 -6.9 46.8 17.3 36 39 A V H X S+ 0 0 0 -4,-2.0 4,-3.9 1,-0.2 5,-0.3 0.938 109.1 47.6 -54.4 -50.6 -4.0 49.3 16.8 37 40 A E H X S+ 0 0 96 -4,-2.9 4,-1.0 2,-0.2 -1,-0.2 0.818 113.7 46.5 -65.4 -31.5 -5.9 52.0 18.7 38 41 A H H X S+ 0 0 140 -4,-1.7 4,-3.2 -5,-0.2 3,-0.3 0.964 116.3 45.7 -72.2 -50.7 -6.8 49.8 21.6 39 42 A W H X S+ 0 0 39 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.941 110.4 52.2 -53.5 -54.2 -3.2 48.4 21.7 40 43 A L H < S+ 0 0 49 -4,-3.9 -1,-0.3 -5,-0.2 -2,-0.2 0.846 115.4 44.8 -52.1 -32.5 -1.7 51.9 21.5 41 44 A H H < S+ 0 0 164 -4,-1.0 -2,-0.3 -3,-0.3 -1,-0.2 0.893 106.8 58.0 -78.4 -42.0 -4.0 52.7 24.4 42 45 A A H < 0 0 55 -4,-3.2 -2,-0.2 1,-0.1 -3,-0.2 0.809 360.0 360.0 -59.5 -35.0 -3.3 49.5 26.4 43 46 A Q < 0 0 91 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.670 360.0 360.0-124.1 360.0 0.5 50.2 26.6 44 ! 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 45 55 A V 0 0 194 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-135.5 9.7 52.0 28.0 46 56 A A - 0 0 48 1,-0.1 17,-0.1 15,-0.0 18,-0.0 -0.630 360.0-108.0 -82.6 133.1 10.4 52.7 24.3 47 57 A L - 0 0 19 -2,-0.3 15,-3.5 15,-0.3 87,-0.2 -0.310 40.0-111.3 -59.0 137.5 10.2 49.7 22.0 48 58 A P E -C 61 0A 53 0, 0.0 87,-1.4 0, 0.0 2,-0.5 -0.269 18.1-136.4 -70.6 157.1 13.7 48.6 20.7 49 59 A L E +Cd 60 135A 1 11,-2.2 10,-3.6 85,-0.2 11,-1.3 -0.967 31.9 172.8-116.3 117.3 14.9 49.0 17.1 50 60 A N E -Cd 58 136A 2 85,-1.6 87,-2.6 -2,-0.5 2,-0.6 -0.709 35.9-100.9-121.3 174.1 16.7 45.9 15.7 51 61 A I E > S-Cd 54 137A 3 6,-1.5 3,-2.8 3,-0.6 6,-0.2 -0.852 95.5 -25.5 -97.6 122.0 18.1 44.7 12.5 52 62 A N T 3 S- 0 0 66 85,-3.3 -1,-0.2 -2,-0.6 86,-0.1 0.799 119.1 -61.1 43.7 40.2 15.9 42.2 10.6 53 63 A H T 3 S+ 0 0 28 1,-0.2 2,-0.6 84,-0.2 -1,-0.3 0.590 93.6 147.9 69.0 11.9 14.3 41.1 13.9 54 64 A D E X -C 51 0A 39 -3,-2.8 3,-1.2 3,-0.2 -3,-0.6 -0.709 42.2-150.9 -79.6 119.8 17.5 39.9 15.4 55 65 A D E 3 S+ 0 0 110 -2,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.504 96.7 53.8 -70.9 -1.2 17.3 40.6 19.1 56 66 A T E 3 S+ 0 0 39 -5,-0.2 128,-1.8 1,-0.2 2,-0.4 0.573 96.6 67.6-103.8 -14.5 21.1 41.0 19.3 57 67 A A E < +I 183 0B 2 -3,-1.2 -6,-1.5 -6,-0.2 2,-0.5 -0.357 65.0 153.7-103.1 51.8 21.1 43.6 16.5 58 68 A V E +C 50 0A 17 124,-1.0 -8,-0.3 -2,-0.4 25,-0.1 -0.699 11.7 169.8 -82.1 127.1 19.3 46.4 18.4 59 69 A V E - 0 0 0 -10,-3.6 21,-2.5 -2,-0.5 20,-2.4 0.547 57.0 -36.2-116.7 -11.9 20.4 49.8 17.1 60 70 A G E -CE 49 78A 7 -11,-1.3 -11,-2.2 18,-0.3 2,-0.3 -0.850 66.8 -80.1-176.4-147.8 18.0 52.3 18.7 61 71 A H E -CE 48 77A 73 16,-1.5 16,-2.1 -13,-0.3 2,-0.8 -0.969 33.6-101.9-145.3 160.5 14.5 52.8 19.8 62 72 A V E - E 0 76A 11 -15,-3.5 -15,-0.3 -2,-0.3 14,-0.3 -0.746 33.2-174.2 -84.6 111.5 11.0 53.6 18.6 63 73 A A E + 0 0 22 12,-1.4 2,-0.3 -2,-0.8 13,-0.2 0.732 63.5 7.8 -79.1 -25.4 10.5 57.3 19.5 64 74 A A E - E 0 75A 3 11,-1.8 11,-2.7 111,-0.1 2,-0.4 -0.961 51.1-169.8-162.7 141.0 6.9 57.6 18.5 65 75 A M E + E 0 74A 20 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.991 15.6 173.6-131.0 137.8 3.9 55.6 17.3 66 76 A Q E - E 0 73A 53 7,-2.3 7,-2.8 -2,-0.4 2,-0.5 -0.942 27.5-139.8-151.4 124.4 0.7 57.1 16.0 67 77 A S E + E 0 72A 14 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.715 38.3 173.3 -81.9 127.8 -2.4 55.6 14.4 68 78 A V E > - E 0 71A 7 3,-3.6 3,-1.6 -2,-0.5 96,-0.1 -0.756 47.1 -75.2-130.1 178.4 -3.4 57.9 11.6 69 79 A R T 3 S+ 0 0 147 1,-0.3 -36,-0.1 -2,-0.2 3,-0.1 0.833 127.9 27.5 -40.4 -49.6 -5.9 58.1 8.7 70 80 A D T 3 S- 0 0 29 1,-0.2 -50,-0.9 -50,-0.1 -49,-0.5 0.327 126.7 -52.1-103.7 9.6 -4.1 55.6 6.5 71 81 A G E < S-AE 19 68A 0 -3,-1.6 -3,-3.6 -52,-0.3 2,-0.7 -0.975 72.5 -44.3 155.4-171.2 -2.3 53.4 9.0 72 82 A L E -AE 18 67A 0 -54,-1.6 -55,-3.3 -2,-0.3 -54,-1.1 -0.886 54.0-169.1 -98.0 111.4 0.1 53.0 12.0 73 83 A F E -AE 16 66A 0 -7,-2.8 -7,-2.3 -2,-0.7 2,-0.3 -0.865 3.7-172.7-105.7 136.4 3.0 55.3 11.5 74 84 A C E -AE 15 65A 1 -59,-2.6 -59,-1.6 -2,-0.4 2,-0.4 -0.868 14.8-152.6-126.5 160.7 6.1 55.2 13.6 75 85 A L E -AE 14 64A 0 -11,-2.7 -11,-1.8 -2,-0.3 -12,-1.4 -0.992 21.0-178.3-133.3 122.9 9.3 57.2 14.0 76 86 A G E -AE 13 62A 1 -63,-3.8 -63,-2.1 -2,-0.4 2,-0.4 -0.681 18.8-138.4-118.9 174.0 12.5 55.7 15.2 77 87 A C E -AE 12 61A 5 -16,-2.1 -16,-1.5 -65,-0.2 2,-0.7 -0.972 7.4-147.4-138.5 121.0 16.1 56.7 16.0 78 88 A V E +AE 11 60A 0 -67,-3.4 -67,-1.8 -2,-0.4 -18,-0.3 -0.785 34.2 155.0 -86.4 116.1 19.2 54.8 15.2 79 89 A T + 0 0 59 -20,-2.4 -19,-0.2 -2,-0.7 -1,-0.2 0.460 20.1 123.2-123.9 -3.8 21.6 55.5 18.1 80 90 A S > - 0 0 0 -21,-2.5 4,-3.3 1,-0.2 5,-0.3 -0.474 42.9-161.1 -67.5 116.0 24.1 52.7 18.3 81 91 A P H > S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.921 93.3 50.2 -60.3 -44.8 27.6 54.1 18.0 82 92 A R H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.967 116.1 41.8 -57.3 -55.1 29.0 50.6 17.1 83 93 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.964 113.6 50.3 -57.6 -58.4 26.3 50.1 14.4 84 94 A L H X S+ 0 0 3 -4,-3.3 4,-1.6 1,-0.3 -1,-0.2 0.845 111.5 52.8 -50.9 -33.6 26.5 53.7 13.1 85 95 A E H X S+ 0 0 62 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.3 0.950 107.0 48.9 -68.5 -48.8 30.2 53.1 12.9 86 96 A I H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.945 111.3 51.2 -54.0 -48.7 29.9 49.9 10.9 87 97 A V H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.846 108.3 52.8 -58.7 -35.5 27.6 51.6 8.5 88 98 A R H X S+ 0 0 22 -4,-1.6 4,-1.5 -5,-0.3 3,-0.3 0.985 110.5 45.4 -64.6 -56.9 30.1 54.4 8.1 89 99 A R H < S+ 0 0 102 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.904 116.5 46.5 -52.1 -45.4 33.0 52.0 7.2 90 100 A A H >< S+ 0 0 0 -4,-2.8 3,-1.0 -5,-0.2 -1,-0.2 0.809 103.9 61.2 -70.9 -30.1 30.8 50.1 4.8 91 101 A S H >< S+ 0 0 0 -4,-2.1 3,-1.9 -3,-0.3 -1,-0.2 0.861 93.6 63.4 -65.6 -34.2 29.3 53.2 3.1 92 102 A E T 3< S+ 0 0 97 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.773 106.4 49.1 -59.3 -22.6 32.8 54.3 1.9 93 103 A K T < S+ 0 0 84 -3,-1.0 2,-0.5 -4,-0.4 -1,-0.3 -0.004 87.2 100.1-109.0 29.6 32.7 51.0 -0.0 94 104 A S <> - 0 0 0 -3,-1.9 4,-2.0 1,-0.2 5,-0.1 -0.956 53.5-159.8-118.4 120.1 29.3 51.2 -1.7 95 105 A E H > S+ 0 0 109 -2,-0.5 4,-1.4 1,-0.2 5,-0.2 0.919 96.5 57.9 -60.4 -41.1 29.1 52.3 -5.3 96 106 A L H >4 S+ 0 0 24 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.896 106.3 47.7 -53.5 -45.9 25.4 53.2 -4.7 97 107 A V H >4 S+ 0 0 6 1,-0.2 3,-1.8 2,-0.2 -1,-0.3 0.895 107.7 57.2 -64.0 -38.2 26.4 55.6 -2.0 98 108 A S H 3< S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.760 93.6 65.9 -65.0 -24.8 29.1 57.0 -4.3 99 109 A R T << S- 0 0 181 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.581 100.8-153.9 -71.3 -9.3 26.4 57.9 -6.9 100 110 A G < - 0 0 21 -3,-1.8 -1,-0.1 -4,-0.2 -2,-0.1 0.146 20.2 -55.2 61.1 178.9 25.2 60.3 -4.2 101 111 A P - 0 0 27 0, 0.0 121,-0.1 0, 0.0 123,-0.0 -0.218 56.4 -99.9 -85.4 179.9 21.6 61.6 -3.7 102 112 A V S > S- 0 0 84 119,-0.4 3,-0.7 4,-0.1 118,-0.1 0.265 71.3 -5.4 -83.3-157.6 19.3 63.4 -6.0 103 113 A S T 3 S- 0 0 66 1,-0.2 117,-0.0 3,-0.0 0, 0.0 0.506 125.6 -26.4 0.8-111.0 18.0 66.9 -6.8 104 114 A P T 3 S+ 0 0 15 0, 0.0 688,-3.0 0, 0.0 -1,-0.2 0.267 99.9 124.4-109.1 17.6 19.5 69.3 -4.2 105 115 A L B < -J 791 0C 5 -3,-0.7 686,-0.2 686,-0.2 687,-0.0 -0.268 60.7-121.2 -66.5 159.5 20.1 67.0 -1.3 106 116 A Q - 0 0 60 684,-1.6 -4,-0.1 685,-0.1 -1,-0.1 -0.872 34.2 -96.5-104.9 138.3 23.6 66.7 0.1 107 117 A P + 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.230 39.4 179.9 -53.6 136.0 25.3 63.3 0.2 108 118 A D > - 0 0 14 1,-0.1 4,-3.4 -11,-0.1 5,-0.4 -0.684 6.5-170.3-138.7 76.7 24.9 61.5 3.6 109 119 A K H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.848 83.8 45.6 -37.3 -59.2 26.8 58.3 3.2 110 120 A V H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 118.2 43.2 -55.0 -51.2 25.5 56.7 6.4 111 121 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.961 114.5 49.0 -59.8 -51.8 22.0 57.7 5.8 112 122 A E H X S+ 0 0 2 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.894 111.1 52.6 -54.9 -39.9 22.0 56.8 2.1 113 123 A F H X S+ 0 0 2 -4,-3.1 4,-2.4 -5,-0.4 5,-0.3 0.922 110.7 44.6 -63.0 -47.2 23.5 53.4 3.2 114 124 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.919 109.7 57.9 -61.0 -44.5 20.8 52.7 5.7 115 125 A S H < S+ 0 0 3 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.871 112.3 41.4 -52.1 -42.1 18.2 53.8 3.2 116 126 A G H < S+ 0 0 0 -4,-1.8 3,-0.5 -5,-0.2 -2,-0.2 0.905 118.7 40.0 -77.3 -44.5 19.5 51.2 0.8 117 127 A S H < S+ 0 0 3 -4,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.925 127.5 30.2 -70.8 -45.8 20.0 48.2 3.0 118 128 A Y < + 0 0 4 -4,-2.6 21,-0.2 -5,-0.3 -1,-0.2 -0.544 63.8 149.8-119.1 67.9 16.9 48.6 5.1 119 129 A A + 0 0 1 -3,-0.5 29,-2.9 -2,-0.4 2,-0.3 0.471 62.0 70.3 -76.0 -0.7 14.3 50.2 3.0 120 130 A G E -FG 138 147A 0 18,-3.3 18,-2.7 27,-0.3 2,-0.4 -0.871 64.3-149.9-124.6 156.5 11.6 48.4 5.0 121 131 A L E -F 137 0A 1 25,-1.8 2,-0.4 -2,-0.3 22,-0.2 -0.912 13.0-167.2-116.9 143.3 10.1 48.5 8.4 122 132 A S E -F 136 0A 0 14,-2.4 14,-1.8 -2,-0.4 2,-0.1 -0.870 9.2-148.1-142.3 108.2 8.7 45.4 10.1 123 133 A L E -F 135 0A 0 -2,-0.4 791,-2.0 -106,-0.4 2,-0.5 -0.400 4.5-154.4 -72.2 143.9 6.5 45.4 13.2 124 134 A S E +FH 134 913A 2 10,-1.8 9,-2.9 789,-0.2 10,-1.4 -0.985 32.1 144.8-120.9 117.6 6.6 42.6 15.7 125 135 A S E -FH 132 912A 2 787,-1.7 787,-3.0 -2,-0.5 7,-0.2 -0.937 51.2 -78.8-146.7 168.9 3.5 42.1 17.8 126 136 A R 0 0 88 5,-2.0 7,-0.0 -2,-0.3 0, 0.0 -0.373 360.0 360.0 -69.7 151.1 1.3 39.5 19.4 127 137 A R 0 0 169 -2,-0.1 -1,-0.1 -98,-0.0 -2,-0.0 0.916 360.0 360.0 -56.1 360.0 -1.1 37.5 17.1 128 ! 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 0.0 129 152 A T 0 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.0 0.4 44.2 28.6 130 153 A T + 0 0 65 1,-0.1 -4,-0.1 -87,-0.1 -91,-0.0 -0.665 360.0 166.1-139.7 80.5 2.7 44.7 25.6 131 154 A P S S+ 0 0 2 0, 0.0 -5,-2.0 0, 0.0 2,-0.6 0.898 72.1 63.0 -60.5 -41.4 1.0 44.0 22.2 132 155 A F E + F 0 125A 3 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.784 59.9 173.7 -90.4 118.7 3.9 45.7 20.4 133 156 A K E - 0 0 75 -9,-2.9 2,-0.3 -2,-0.6 -8,-0.2 0.911 56.7 -39.0 -90.6 -50.8 7.2 44.0 20.8 134 157 A H E - F 0 124A 25 -10,-1.4 -10,-1.8 -87,-0.2 2,-0.4 -0.958 44.8-117.3-174.0 154.8 9.6 45.9 18.5 135 158 A V E -dF 49 123A 1 -87,-1.4 -85,-1.6 -2,-0.3 2,-0.4 -0.836 32.6-152.6-100.7 139.3 10.0 47.5 15.2 136 159 A A E -dF 50 122A 0 -14,-1.8 -14,-2.4 -2,-0.4 2,-0.4 -0.900 11.2-136.4-118.8 144.1 12.6 46.0 12.8 137 160 A L E +dF 51 121A 0 -87,-2.6 -85,-3.3 -2,-0.4 2,-0.3 -0.763 42.1 154.9 -90.4 138.5 14.7 47.5 10.0 138 161 A C E - F 0 120A 5 -18,-2.7 -18,-3.3 -2,-0.4 3,-0.2 -0.965 58.3-102.2-157.5 171.7 14.7 45.2 7.0 139 162 A S S S- 0 0 10 1,-0.3 2,-0.2 -2,-0.3 -20,-0.2 0.672 105.3 -11.7 -76.0 -15.5 15.1 45.1 3.2 140 163 A V - 0 0 17 -20,-0.1 -1,-0.3 -22,-0.1 2,-0.3 -0.810 69.4-125.0-178.9 140.7 11.3 44.8 2.7 141 164 A G - 0 0 4 2,-0.3 5,-0.1 -2,-0.2 4,-0.1 -0.669 14.9-134.0 -95.7 150.5 8.3 44.2 5.0 142 165 A R S S+ 0 0 93 772,-1.0 2,-0.4 -2,-0.3 -117,-0.3 0.748 96.2 75.7 -71.1 -21.1 5.8 41.5 4.5 143 166 A R S > S- 0 0 14 771,-0.7 3,-0.7 -22,-0.2 -2,-0.3 -0.750 93.8-119.5 -89.3 136.3 3.2 44.2 5.2 144 167 A R T 3 S+ 0 0 47 -2,-0.4 -125,-0.3 1,-0.2 -122,-0.1 -0.558 89.6 30.9 -83.6 142.4 2.8 46.5 2.1 145 168 A G T 3 S+ 0 0 1 61,-0.3 -129,-0.6 -2,-0.2 2,-0.4 0.544 76.0 131.2 91.9 11.9 3.5 50.2 2.3 146 169 A T < + 0 0 1 -3,-0.7 -25,-1.8 -5,-0.1 2,-0.1 -0.144 27.0 159.8 -89.8 39.3 6.2 49.8 4.9 147 170 A L B -G 120 0A 0 -2,-0.4 2,-0.7 -27,-0.2 -131,-0.3 -0.363 35.5-133.7 -65.6 138.3 9.0 52.0 3.3 148 171 A A - 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0 0 1 -28,-3.3 2,-0.5 -32,-0.1 -132,-0.2 -0.884 14.7-160.1-104.6 125.3 11.6 84.7 -5.6 834 1472 D V E -D 700 0H 1 -134,-2.8 -134,-1.9 -2,-0.5 2,-0.4 -0.903 6.1-157.5-106.7 122.9 12.6 81.0 -5.4 835 1473 D Y E +D 699 0H 3 -2,-0.5 71,-0.3 -136,-0.2 2,-0.3 -0.822 24.6 146.7-102.3 136.6 16.0 80.1 -6.9 836 1474 D G E -D 698 0H 0 -138,-2.5 -138,-2.7 -2,-0.4 6,-0.0 -0.983 50.7-127.7-162.5 157.1 16.8 76.5 -8.0 837 1475 D R S S+ 0 0 67 -2,-0.3 -1,-0.1 -140,-0.2 3,-0.1 0.825 99.5 54.9 -78.1 -32.7 18.8 74.6 -10.6 838 1476 D D S > S- 0 0 60 1,-0.1 4,-2.5 -140,-0.1 -1,-0.1 -0.899 70.1-152.8-106.3 122.5 15.8 72.5 -11.6 839 1477 D P H > S+ 0 0 15 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.873 98.6 54.7 -59.0 -37.3 12.6 74.3 -12.7 840 1478 D E H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.984 110.5 44.7 -56.3 -60.6 10.5 71.3 -11.6 841 1479 D W H 4 S+ 0 0 8 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.868 115.0 50.6 -53.0 -39.9 12.0 71.4 -8.2 842 1480 D V H >< S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.2 4,-0.4 0.984 111.4 43.7 -65.7 -56.8 11.6 75.2 -8.2 843 1481 D T H >< S+ 0 0 0 -4,-3.4 3,-1.0 1,-0.3 -1,-0.2 0.777 107.0 68.2 -58.3 -21.3 7.9 75.2 -9.2 844 1482 D Q T 3< S+ 0 0 54 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.635 83.6 69.8 -73.0 -16.9 7.7 72.4 -6.6 845 1483 D R T < S+ 0 0 15 -3,-2.4 -1,-0.2 -4,-0.4 58,-0.2 0.659 82.1 83.8 -77.2 -14.9 8.4 74.8 -3.7 846 1484 D F X - 0 0 0 -3,-1.0 3,-1.1 -4,-0.4 53,-0.1 -0.791 57.1-170.1 -98.0 108.4 5.0 76.5 -4.1 847 1485 D P T 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 52,-0.1 0.778 82.3 69.9 -61.4 -28.7 2.2 74.6 -2.3 848 1486 D D T 3 S+ 0 0 44 50,-0.6 -93,-0.1 2,-0.0 -92,-0.1 0.810 84.1 86.7 -59.7 -33.1 -0.4 76.8 -4.0 849 1487 D L < - 0 0 8 -3,-1.1 2,-0.3 -6,-0.2 -95,-0.0 -0.361 67.7-145.3 -74.4 151.4 0.3 75.3 -7.4 850 1488 D T > - 0 0 68 1,-0.1 4,-3.0 -2,-0.1 5,-0.3 -0.735 31.2-105.8-112.1 160.6 -1.5 72.2 -8.7 851 1489 D A H > S+ 0 0 70 -2,-0.3 4,-2.8 1,-0.3 5,-0.1 0.884 127.4 52.1 -51.5 -36.6 -0.1 69.4 -10.9 852 1490 D A H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.951 107.7 49.9 -63.5 -50.5 -2.3 71.1 -13.6 853 1491 D D H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.954 114.2 45.1 -50.4 -55.2 -0.7 74.4 -12.9 854 1492 D R H X S+ 0 0 16 -4,-3.0 4,-3.7 1,-0.2 5,-0.3 0.888 105.5 60.4 -57.8 -44.7 2.8 72.8 -13.2 855 1493 D D H X S+ 0 0 93 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.883 107.0 48.3 -51.5 -40.7 1.9 70.9 -16.3 856 1494 D G H X S+ 0 0 20 -4,-1.9 4,-1.7 -3,-0.5 -1,-0.2 0.924 113.8 43.2 -67.1 -47.1 1.2 74.3 -17.9 857 1495 D L H X S+ 0 0 1 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.931 112.9 54.3 -63.7 -44.8 4.4 75.9 -16.8 858 1496 D R H X S+ 0 0 47 -4,-3.7 4,-1.4 1,-0.2 -1,-0.2 0.850 107.0 50.8 -56.8 -38.2 6.3 72.8 -17.7 859 1497 D A H < S+ 0 0 67 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.884 113.1 46.9 -67.5 -39.6 4.9 72.9 -21.2 860 1498 D Q H < S+ 0 0 95 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.913 113.4 44.8 -71.1 -43.5 6.0 76.5 -21.5 861 1499 D W H < 0 0 47 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.743 360.0 360.0 -73.9 -21.0 9.5 76.1 -20.2 862 1500 D Q < 0 0 170 -4,-1.4 -2,-0.2 -5,-0.3 -3,-0.2 0.975 360.0 360.0 -78.0 360.0 10.0 72.9 -22.4 863 ! 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 0.0 864 1511 D G 0 0 125 0, 0.0 -98,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-107.8 25.3 86.5 -26.8 865 1512 D D - 0 0 58 1,-0.2 -120,-0.1 -100,-0.1 -121,-0.1 0.215 360.0-163.9 -23.6 110.3 25.4 87.8 -23.2 866 1513 D P + 0 0 42 0, 0.0 2,-1.0 0, 0.0 -122,-1.0 0.278 59.0 105.9 -86.7 11.2 22.7 90.4 -22.6 867 1514 D F B +K 743 0I 6 -124,-0.2 -124,-0.2 1,-0.1 -125,-0.1 -0.786 36.3 167.0 -96.5 97.3 24.3 91.7 -19.4 868 1515 D R + 0 0 141 -126,-1.7 2,-0.2 -2,-1.0 -125,-0.2 -0.011 55.4 73.7 -98.8 28.8 25.8 95.0 -20.4 869 1516 D S - 0 0 10 -127,-0.2 2,-0.2 -125,-0.1 -2,-0.0 -0.653 67.4-140.9-127.6-177.1 26.4 96.1 -16.8 870 1517 D D > - 0 0 58 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.787 34.7 -82.1-142.3-175.6 28.9 95.1 -14.1 871 1518 D S H > S+ 0 0 2 1,-0.2 4,-3.6 -2,-0.2 5,-0.3 0.902 125.0 56.8 -55.5 -43.1 29.7 94.4 -10.5 872 1519 D Y H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 106.6 50.6 -56.0 -42.1 30.1 98.1 -9.8 873 1520 D G H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.941 114.0 42.2 -60.0 -49.9 26.5 98.5 -11.1 874 1521 D L H X S+ 0 0 6 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.885 110.7 56.9 -64.7 -39.3 25.2 95.8 -8.9 875 1522 D L H X S+ 0 0 3 -4,-3.6 4,-0.9 -5,-0.2 -1,-0.2 0.887 110.6 46.8 -58.9 -38.6 27.3 97.1 -6.0 876 1523 D G H >X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 3,-1.1 0.954 107.9 51.2 -68.6 -53.4 25.5 100.4 -6.5 877 1524 D N H 3X S+ 0 0 28 -4,-2.6 4,-1.2 1,-0.3 -1,-0.2 0.708 103.8 67.1 -57.2 -18.5 22.0 99.0 -6.8 878 1525 D S H 3X S+ 0 0 8 -4,-1.2 4,-1.4 -5,-0.2 -1,-0.3 0.874 94.9 50.1 -73.9 -39.1 22.8 97.3 -3.5 879 1526 D V H XX S+ 0 0 4 -3,-1.1 3,-0.7 -4,-0.9 4,-0.5 0.943 106.7 57.5 -64.4 -42.3 23.1 100.4 -1.4 880 1527 D D H >< S+ 0 0 25 -4,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.890 103.7 53.9 -52.2 -40.0 19.7 101.5 -2.8 881 1528 D A H >< S+ 0 0 8 -4,-1.2 3,-1.8 1,-0.3 -1,-0.3 0.856 94.2 69.3 -63.6 -35.9 18.4 98.2 -1.4 882 1529 D L H << S+ 0 0 13 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.655 102.2 47.2 -57.9 -14.6 19.8 99.0 2.0 883 1530 D Y T << S+ 0 0 36 -3,-1.5 2,-0.9 -4,-0.5 -1,-0.3 0.290 70.9 121.0-115.7 13.3 17.1 101.7 2.3 884 1531 D I X - 0 0 54 -3,-1.8 3,-1.7 -4,-0.1 2,-0.1 -0.675 69.9-122.5 -76.1 109.5 13.9 100.0 1.2 885 1532 D R T 3 S+ 0 0 177 -2,-0.9 -2,-0.1 1,-0.3 -1,-0.1 -0.325 88.1 8.1 -62.4 129.6 11.8 100.5 4.3 886 1533 D E T 3> S+ 0 0 112 -2,-0.1 4,-3.1 3,-0.1 5,-0.3 0.637 81.0 149.2 77.5 18.4 10.5 97.3 5.8 887 1534 D R H <> S+ 0 0 11 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.933 70.9 39.9 -45.8 -67.8 12.5 95.1 3.5 888 1535 D L H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.938 117.6 48.1 -51.2 -55.5 13.0 92.2 5.9 889 1536 D P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.949 111.4 50.8 -52.5 -50.5 9.5 92.3 7.4 890 1537 D K H X S+ 0 0 69 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.862 110.3 49.7 -54.2 -41.5 7.9 92.5 3.9 891 1538 D L H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.926 108.5 51.3 -65.7 -45.7 9.9 89.5 2.7 892 1539 D R H X S+ 0 0 74 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.941 110.1 51.5 -55.9 -46.8 8.9 87.4 5.8 893 1540 D Y H X S+ 0 0 101 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.892 109.7 49.0 -55.8 -44.1 5.3 88.3 5.0 894 1541 D D H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.915 109.6 51.8 -63.4 -44.8 5.7 87.2 1.4 895 1542 D K H X>S+ 0 0 52 -4,-2.7 4,-1.5 1,-0.2 5,-1.3 0.947 112.1 45.3 -55.7 -53.4 7.3 83.9 2.4 896 1543 D Q H <5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.0 56.6 -59.3 -36.8 4.5 83.1 4.8 897 1544 D L H <5S+ 0 0 39 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.877 114.8 33.8 -67.0 -40.6 1.9 84.1 2.1 898 1545 D V H <5S- 0 0 0 -4,-2.1 -50,-0.6 -3,-0.2 -1,-0.2 0.575 107.1-120.3 -93.7 -8.2 3.1 81.7 -0.6 899 1546 D G T X5S+ 0 0 7 -4,-1.5 4,-0.6 -5,-0.2 -3,-0.2 0.711 70.1 134.5 80.2 20.2 4.1 78.9 1.8 900 1547 D V T 4